| 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 | 24.8 | Very low | 33.5 | Very low | 215 Ų | 215 | 122.2 Ų | 122.2 | 100% | 1.059 | 58% | 0.576 | S | S | * | * | 0 | 99.1 | 0 | -70.3 | 167.9 | 172.3 | 0 | 0 | 107 | F3 | M1-F3 HydrophobicContact CB-CD2 4.07Å; M1-F3 HydrophobicContact CB-CE2 3.75Å; M1-F3 HydrophobicContact CG-CE2 4.42Å; M1-F3 PolarHBondContact O-N 3.38Å; M1-F3 HydrophobicContact SD-CE2 4.16Å; M1-F3 HydrophobicContact SD-CZ 4.46Å | |||
| 2 | E | 23.9 | Very low | 33.7 | Very low | 186 Ų | 186 | 123.3 Ų | 123.3 | 87% | 0.869 | 58% | 0.578 | S | S | * | * | trans | -85 | 98.3 | 167.4 | -64.5 | -174.9 | 138.6 | 0 | 0 | 106.4 | R4 | E2-R4 PolarHBondContact O-N 2.61Š| ||
| 3 | F | 27.2 | Very low | 34.1 | Very low | 146 Ų | 146 | 115.1 Ų | 115.1 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | trans | -78.9 | 111.1 | 169.5 | -75.6 | -84.4 | 0 | 0 | 0 | 107.7 | M1 | M1-F3 HydrophobicContact CB-CD2 4.07Å; M1-F3 HydrophobicContact CB-CE2 3.75Å; M1-F3 HydrophobicContact CG-CE2 4.42Å; M1-F3 PolarHBondContact O-N 3.38Å; M1-F3 HydrophobicContact SD-CE2 4.16Å; M1-F3 HydrophobicContact SD-CZ 4.46Å | ||
| 4 | R | 31.2 | Very low | 34.3 | Very low | 181 Ų | 181 | 112.6 Ų | 112.6 | 68% | 0.683 | 53% | 0.529 | S | S | * | . | trans | -72.2 | 155.1 | 162.8 | -53.8 | 174.8 | 167.7 | -166 | -3.9 | 107.7 | E2 V6 D7 | E2-R4 PolarHBondContact O-N 2.61Å; R4-V6 PolarHBondContact O-N 2.86Å; R4-V6 VanDerWaalsContact O-N 3.13Å; R4-D7 WeakPolarHBondContact CB-OD2 3.37Å; R4-D7 VanDerWaalsContact CG-OD2 3.3Å; R4-D7 WeakPolarHBondContact CG-OD2 3.37Å; R4-D7 PolarHBondContact N-OD2 3.11Å; R4-D7 PolarHBondContact O-N 3.14Å; R4-D7 VanDerWaalsContact O-N 3.11Å | ||
| 5 | Y | 36.8 | Very low | 34.9 | Very low | 136 Ų | 136 | 109.9 Ų | 109.9 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.1 | 177.4 | -179.1 | -94.4 | 0 | 0 | 0 | 112.9 | Y1490 | Y5-Y1490 PolarHBondContact OH-OH 3.39Š|
| 6 | V | 37.4 | Very low | 35.7 | Very low | 127 Ų | 127 | 105.5 Ų | 105.5 | 77% | 0.77 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -30.2 | 179.5 | -168.2 | 0 | 0 | 0 | 0 | 112.2 | R4 I8 | R4-V6 PolarHBondContact O-N 2.86Å; R4-V6 VanDerWaalsContact O-N 3.13Å; V6-I8 PolarHBondContact O-N 3.03Å |
| 7 | D | 35.9 | Very low | 36.7 | Very low | 89 Ų | 89 | 105.2 Ų | 105.2 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -83.6 | 24.4 | -172.7 | -39.6 | -33.1 | 0 | 0 | 0 | 112.6 | R4 | R4-D7 WeakPolarHBondContact CB-OD2 3.37Å; R4-D7 VanDerWaalsContact CG-OD2 3.3Å; R4-D7 WeakPolarHBondContact CG-OD2 3.37Å; R4-D7 PolarHBondContact N-OD2 3.11Å; R4-D7 PolarHBondContact O-N 3.14Å; R4-D7 VanDerWaalsContact O-N 3.11Å |
| 8 | I | 37.7 | Very low | 37.8 | Very low | 46 Ų | 46 | 101.4 Ų | 101.4 | 24% | 0.236 | 49% | 0.485 | C | S | . | . | trans | -115.8 | 96.5 | -171.4 | -61.4 | -179 | 0 | 0 | 0 | 109.2 | V6 T10 L46 | V6-I8 PolarHBondContact O-N 3.03Å; I8-T10 VanDerWaalsContact C-N 3.29Å; I8-T10 HydrophobicContact CG2-CG2 3.93Å; I8-T10 PolarHBondContact O-N 3.49Å; I8-L46 HydrophobicContact CG2-CB 4.35Å; I8-L46 HydrophobicContact CG2-CD1 3.74Å; I8-L46 HydrophobicContact CG2-CD2 3.6Å; I8-L46 HydrophobicContact CG2-CG 4.07Å | ||
| 9 | E | 36.9 | Very low | 39 | Very low | 138 Ų | 138 | 97.2 Ų | 97.2 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | trans | -64.1 | 79.7 | 175.6 | -63.9 | 176.1 | 179.9 | 0 | 0 | 111.9 | E11 F12 | E9-E11 PolarHBondContact O-N 3.11Å; E9-F12 WeakPolarHBondContact OE2-CE2 3.43Å | ||
| 10 | T | 37.7 | Very low | 39.9 | Very low | 34 Ų | 34 | 96 Ų | 96 | 21% | 0.209 | 46% | 0.46 | C | S | . | . | trans | -70.7 | 3.9 | 179.5 | 62.9 | 0 | 0 | 0 | 0 | 114.4 | I8 F13 M47 | I8-T10 VanDerWaalsContact C-N 3.29Å; I8-T10 HydrophobicContact CG2-CG2 3.93Å; I8-T10 PolarHBondContact O-N 3.49Å; T10-F13 WeakPolarHBondContact O-CD2 3.39Å; T10-M47 HydrophobicContact CG2-CE 3.56Å | ||
| 11 | E | 39 | Very low | 40.9 | Very low | 46 Ų | 46 | 93.9 Ų | 93.9 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | trans | -117.1 | -15.4 | -140.7 | -64.8 | -166.5 | 159.3 | 0 | 0 | 115.9 | E9 F13 L1557 N1558 P1559 | E9-E11 PolarHBondContact O-N 3.11Å; E11-F13 PolarHBondContact O-N 3.13Å; E11-L1557 WeakPolarHBondContact OE1-CA 3.25Å; E11-N1558 PolarHBondContact OE1-N 3.12Å; E11-N1558 PolarHBondContact OE2-N 3.39Å; E11-P1559 HydrophobicContact CB-CB 3.66Å; E11-P1559 HydrophobicContact CB-CG 3.63Å; E11-P1559 VanDerWaalsContact OE2-CA 3.22Å; E11-P1559 WeakPolarHBondContact OE2-CA 3.39Å; E11-P1559 WeakPolarHBondContact OE2-CB 3.48Å | ||
| 12 | F | 35.6 | Very low | 42.8 | Very low | 136 Ų | 136 | 84 Ų | 84 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.2 | 21.1 | 169.5 | -75.7 | -77.1 | 0 | 0 | 0 | 114.1 | E9 | E9-F12 WeakPolarHBondContact OE2-CE2 3.43Š|
| 13 | F | 38.9 | Very low | 44.8 | Very low | 16 Ų | 16 | 76.1 Ų | 76.1 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | trans | -143 | 79.2 | -153.3 | -62 | -81.3 | 0 | 0 | 0 | 113 | T10 E11 P15 P40 D42 Y43 | T10-F13 WeakPolarHBondContact O-CD2 3.39Å; E11-F13 PolarHBondContact O-N 3.13Å; F13-P15 VanDerWaalsContact O-CD 3.22Å; F13-P15 WeakPolarHBondContact O-CD 3.45Å; F13-P15 VanDerWaalsContact O-N 3.11Å; F13-P40 HydrophobicContact CD1-CB 4.38Å; F13-P40 HydrophobicContact CD1-CG 3.95Å; F13-P40 HydrophobicContact CE1-CB 3.37Å; F13-P40 HydrophobicContact CE1-CG 3.41Å; F13-P40 VanDerWaalsContact CE1-CG 3.41Å; F13-P40 WeakPolarHBondContact CE1-O 3.35Å; F13-P40 HydrophobicContact CZ-CB 3.7Å; F13-P40 HydrophobicContact CZ-CG 4.01Å; F13-D42 HydrophobicContact CZ-CB 4.1Å; F13-Y43 HydrophobicContact CB-CD2 3.36Å; F13-Y43 HydrophobicContact CB-CE2 4.06Å; F13-Y43 HydrophobicContact CB-CG 3.88Å; F13-Y43 HydrophobicContact CD1-CD2 4.36Å; F13-Y43 HydrophobicContact CD1-CG 4.05Å; F13-Y43 HydrophobicContact CD2-CD2 4.34Å; F13-Y43 VanDerWaalsContact CE1-CB 3.48Å; F13-Y43 AromaticContact CG-CD2 3.84Å; F13-Y43 HydrophobicContact CG-CD2 3.84Å; F13-Y43 HydrophobicContact CG-CG 4Å | ||
| 14 | I | 37.1 | Very low | 46.5 | Very low | 80 Ų | 80 | 73.7 Ų | 73.7 | 41% | 0.41 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -50 | 120.2 | 162.3 | -57.3 | 172.1 | 0 | 0 | 0 | 108.6 | K16 R19 | I14-K16 PolarHBondContact O-N 3.22Å; I14-R19 PolarHBondContact O-NH1 3.4Å |
| 15 | P | 43.2 | Very low | 48.3 | Very low | 72 Ų | 72 | 67.3 Ų | 67.3 | 47% | 0.468 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -64 | 121.5 | 172.5 | -21 | 34.1 | 0 | 0 | 0 | 108.6 | F13 | F13-P15 VanDerWaalsContact O-CD 3.22Å; F13-P15 WeakPolarHBondContact O-CD 3.45Å; F13-P15 VanDerWaalsContact O-N 3.11Å |
| 16 | K | 48.2 | Very low | 49.9 | Very low | 40 Ų | 40 | 60.9 Ų | 60.9 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 143.5 | 171.1 | -64 | -172.9 | 173.6 | -171.2 | 0 | 106.9 | I14 Y18 R19 D362 | I14-K16 PolarHBondContact O-N 3.22Å; K16-Y18 HydrophobicContact CB-CD1 3.92Å; K16-Y18 HydrophobicContact CB-CE1 3.77Å; K16-Y18 HydrophobicContact CD-CE1 3.74Å; K16-Y18 HydrophobicContact CG-CE1 4.37Å; K16-Y18 PolarHBondContact O-N 2.69Å; K16-R19 HydrophobicContact CB-CG 4.27Å; K16-R19 WeakPolarHBondContact O-CA 3.45Å; K16-R19 VanDerWaalsContact O-CB 3.3Å; K16-R19 WeakPolarHBondContact O-CB 3.18Å; K16-R19 PolarHBondContact O-N 3Å; K16-D362 PolarHBondContact NZ-O 3.09Å |
| 17 | D | 51.6 | Low | 51.3 | Low | 100 Ų | 100 | 57 Ų | 57 | 54% | 0.535 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -47.7 | -38.4 | -173.3 | -44.2 | -35.7 | 0 | 0 | 0 | 113.9 | R19 N20 I21 V119 | D17-R19 VanDerWaalsContact C-N 3.34Å; D17-R19 PolarHBondContact O-N 3.28Å; D17-N20 PolarHBondContact O-N 2.74Å; D17-I21 WeakPolarHBondContact O-CD1 3.21Å; D17-I21 VanDerWaalsContact O-CG1 3.31Å; D17-I21 WeakPolarHBondContact O-CG1 3.46Å; D17-I21 PolarHBondContact O-N 3.1Å; D17-V119 HydrophobicContact CB-CG1 4.19Å; D17-V119 HydrophobicContact CB-CG2 4.29Å; D17-V119 WeakPolarHBondContact OD2-CG1 3.44Å |
| 18 | Y | 57.8 | Low | 53 | Low | 38 Ų | 38 | 57.9 Ų | 57.9 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -30.7 | 177.1 | 74.6 | -105 | 0 | 0 | 0 | 113.9 | K16 L22 A114 V119 | K16-Y18 HydrophobicContact CB-CD1 3.92Å; K16-Y18 HydrophobicContact CB-CE1 3.77Å; K16-Y18 HydrophobicContact CD-CE1 3.74Å; K16-Y18 HydrophobicContact CG-CE1 4.37Å; K16-Y18 PolarHBondContact O-N 2.69Å; Y18-L22 HydrophobicContact CD2-CD1 3.8Å; Y18-L22 WeakPolarHBondContact O-CB 3.27Å; Y18-L22 VanDerWaalsContact O-CD1 3.27Å; Y18-L22 WeakPolarHBondContact O-CD1 3.23Å; Y18-L22 WeakPolarHBondContact O-CG 3.21Å; Y18-L22 PolarHBondContact O-N 3.27Å; Y18-A114 HydrophobicContact CD2-CB 4.25Å; Y18-A114 HydrophobicContact CE2-CB 4.39Å; Y18-V119 HydrophobicContact CD1-CG2 4.3Å |
| 19 | R | 59.7 | Low | 54.8 | Low | 21 Ų | 21 | 58.6 Ų | 58.6 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 178.4 | -62.8 | -180 | 171.4 | 179.8 | -13.3 | 110.6 | I14 K16 D17 L22 L23 Y43 L44 | I14-R19 PolarHBondContact O-NH1 3.4Å; K16-R19 HydrophobicContact CB-CG 4.27Å; K16-R19 WeakPolarHBondContact O-CA 3.45Å; K16-R19 VanDerWaalsContact O-CB 3.3Å; K16-R19 WeakPolarHBondContact O-CB 3.18Å; K16-R19 PolarHBondContact O-N 3Å; D17-R19 VanDerWaalsContact C-N 3.34Å; D17-R19 PolarHBondContact O-N 3.28Å; R19-L22 PolarHBondContact O-N 3.08Å; R19-L23 WeakPolarHBondContact O-CB 3.35Å; R19-L23 PolarHBondContact O-N 2.71Å; R19-Y43 HydrophobicContact CB-CD1 4.4Å; R19-Y43 HydrophobicContact CB-CE1 3.87Å; R19-L44 WeakPolarHBondContact O-CD1 3.2Å |
| 20 | N | 58.3 | Low | 56.8 | Low | 72 Ų | 72 | 53.5 Ų | 53.5 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 175.8 | -62.3 | 23 | 0 | 0 | 0 | 110.1 | D17 L22 L23 D24 | D17-N20 PolarHBondContact O-N 2.74Å; N20-L22 PolarHBondContact O-N 3Å; N20-L23 WeakPolarHBondContact O-CA 3.35Å; N20-L23 WeakPolarHBondContact O-CB 3.37Å; N20-L23 PolarHBondContact O-N 3.17Å; N20-D24 PolarHBondContact O-N 3.34Å |
| 21 | I | 59.9 | Low | 58.7 | Low | 52 Ų | 52 | 52 Ų | 52 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.6 | -38 | 175.2 | -66 | 159.4 | 0 | 0 | 0 | 112.1 | D17 Q25 K122 | D17-I21 WeakPolarHBondContact O-CD1 3.21Å; D17-I21 VanDerWaalsContact O-CG1 3.31Å; D17-I21 WeakPolarHBondContact O-CG1 3.46Å; D17-I21 PolarHBondContact O-N 3.1Å; I21-Q25 WeakPolarHBondContact O-CG 3.35Å; I21-Q25 PolarHBondContact O-N 3.39Å; I21-Q25 VanDerWaalsContact O-N 3.1Å; I21-K122 HydrophobicContact CD1-CD 4.28Å; I21-K122 VanDerWaalsContact CD1-NZ 3.33Å |
| 22 | L | 65 | Low | 60.5 | Low | 9 Ų | 9 | 50.2 Ų | 50.2 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.8 | -31.7 | 177.6 | -69.2 | 163.4 | 0 | 0 | 0 | 112.7 | Y18 R19 N20 A26 I31 V33 L44 A112 A114 | Y18-L22 HydrophobicContact CD2-CD1 3.8Å; Y18-L22 WeakPolarHBondContact O-CB 3.27Å; Y18-L22 VanDerWaalsContact O-CD1 3.27Å; Y18-L22 WeakPolarHBondContact O-CD1 3.23Å; Y18-L22 WeakPolarHBondContact O-CG 3.21Å; Y18-L22 PolarHBondContact O-N 3.27Å; R19-L22 PolarHBondContact O-N 3.08Å; N20-L22 PolarHBondContact O-N 3Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 2.93Å; L22-I31 HydrophobicContact CD2-CD1 4.47Å; L22-I31 VanDerWaalsContact O-CD1 3.24Å; L22-I31 WeakPolarHBondContact O-CD1 3.19Å; L22-V33 HydrophobicContact CD1-CG1 3.8Å; L22-V33 HydrophobicContact CD2-CG1 4.23Å; L22-V33 HydrophobicContact CD2-CG2 4.29Å; L22-L44 HydrophobicContact CB-CD1 3.99Å; L22-L44 HydrophobicContact CB-CD2 4.2Å; L22-A112 HydrophobicContact CD2-CB 3.59Å; L22-A112 WeakPolarHBondContact CD2-O 3.36Å; L22-A114 HydrophobicContact CD1-CB 3.63Å |
| 23 | L | 65.3 | Low | 62.1 | Low | 19 Ų | 19 | 43.7 Ų | 43.7 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.4 | -48.6 | 171.4 | 179.7 | 64.1 | 0 | 0 | 0 | 110.3 | R19 N20 Q25 A26 L27 L44 M47 L48 | R19-L23 WeakPolarHBondContact O-CB 3.35Å; R19-L23 PolarHBondContact O-N 2.71Å; N20-L23 WeakPolarHBondContact O-CA 3.35Å; N20-L23 WeakPolarHBondContact O-CB 3.37Å; N20-L23 PolarHBondContact O-N 3.17Å; L23-Q25 VanDerWaalsContact C-N 3.26Å; L23-Q25 PolarHBondContact O-N 3.31Å; L23-A26 PolarHBondContact O-N 3.48Å; L23-A26 VanDerWaalsContact O-N 3.08Å; L23-L27 HydrophobicContact CD1-CD1 4.34Å; L23-L27 HydrophobicContact CD1-CG 4.37Å; L23-L27 HydrophobicContact CG-CD1 4Å; L23-L27 HydrophobicContact CG-CG 4.47Å; L23-L27 WeakPolarHBondContact O-CB 3.47Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 3.3Å; L23-L44 HydrophobicContact CB-CD1 4.45Å; L23-M47 HydrophobicContact CD1-CB 3.77Å; L23-M47 HydrophobicContact CD2-CB 3.73Å; L23-M47 HydrophobicContact CD2-CG 4.44Å; L23-M47 HydrophobicContact CG-CB 4.4Å; L23-L48 HydrophobicContact CD1-CB 4.17Å; L23-L48 HydrophobicContact CD1-CD1 4.26Å |
| 24 | D | 64.4 | Low | 63.3 | Low | 95 Ų | 95 | 43.6 Ų | 43.6 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.4 | -43.4 | 174.7 | -61.8 | -28 | 0 | 0 | 0 | 111.4 | N20 L27 V28 | N20-D24 PolarHBondContact O-N 3.34Å; D24-L27 PolarHBondContact O-N 2.98Å; D24-V28 WeakPolarHBondContact O-CG2 3.5Å; D24-V28 PolarHBondContact O-N 3.15Å |
| 25 | Q | 67.3 | Low | 64.4 | Low | 48 Ų | 48 | 40.7 Ų | 40.7 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 175.5 | -76.5 | -177.6 | -34.6 | 0 | 0 | 112.3 | I21 L23 L27 V28 E29 I31 | I21-Q25 WeakPolarHBondContact O-CG 3.35Å; I21-Q25 PolarHBondContact O-N 3.39Å; I21-Q25 VanDerWaalsContact O-N 3.1Å; L23-Q25 VanDerWaalsContact C-N 3.26Å; L23-Q25 PolarHBondContact O-N 3.31Å; Q25-L27 VanDerWaalsContact C-N 3.28Å; Q25-L27 PolarHBondContact O-N 2.99Å; Q25-V28 PolarHBondContact O-N 3.35Å; Q25-V28 VanDerWaalsContact O-N 3.16Å; Q25-E29 PolarHBondContact O-N 3.31Å; Q25-I31 HydrophobicContact CB-CD1 4.21Å; Q25-I31 HydrophobicContact CB-CG2 4.32Å |
| 26 | A | 70.3 | Confident | 65 | Low | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.8 | -30.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L22 L23 V28 E29 I31 L48 R78 | L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 2.93Å; L23-A26 PolarHBondContact O-N 3.48Å; L23-A26 VanDerWaalsContact O-N 3.08Å; A26-V28 VanDerWaalsContact C-N 3.3Å; A26-E29 CarbonylContact C-O 3.54Å; A26-E29 WeakPolarHBondContact CA-O 3.44Å; A26-E29 VanDerWaalsContact O-O 3.11Å; A26-I31 HydrophobicContact CB-CD1 3.73Å; A26-I31 HydrophobicContact CB-CG1 3.91Å; A26-L48 HydrophobicContact CB-CD1 3.7Å; A26-L48 HydrophobicContact CB-CD2 4.14Å; A26-R78 VanDerWaalsContact O-CD 3.31Å; A26-R78 WeakPolarHBondContact O-CD 3.35Å; A26-R78 PolarHBondContact O-NE 3.03Å; A26-R78 PolarHBondContact O-NH1 3.13Å |
| 27 | L | 68.2 | Low | 65.1 | Low | 46 Ų | 46 | 40.6 Ų | 40.6 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.6 | -21.7 | 175.3 | -74.1 | 169.3 | 0 | 0 | 0 | 113.3 | L23 D24 Q25 L48 E51 R78 | L23-L27 HydrophobicContact CD1-CD1 4.34Å; L23-L27 HydrophobicContact CD1-CG 4.37Å; L23-L27 HydrophobicContact CG-CD1 4Å; L23-L27 HydrophobicContact CG-CG 4.47Å; L23-L27 WeakPolarHBondContact O-CB 3.47Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 3.3Å; D24-L27 PolarHBondContact O-N 2.98Å; Q25-L27 VanDerWaalsContact C-N 3.28Å; Q25-L27 PolarHBondContact O-N 2.99Å; L27-L48 HydrophobicContact CD2-CD1 3.68Å; L27-L48 HydrophobicContact CG-CD1 3.9Å; L27-E51 HydrophobicContact CD1-CB 4.26Å; L27-E51 HydrophobicContact CD1-CG 4.31Å; L27-E51 HydrophobicContact CD2-CB 3.61Å; L27-E51 HydrophobicContact CD2-CG 4.49Å; L27-R78 VanDerWaalsContact C-CZ 3.48Å; L27-R78 PolarHBondContact O-NE 3.46Å; L27-R78 PolarHBondContact O-NH2 3Å |
| 28 | V | 71.3 | Confident | 64.9 | Low | 107 Ų | 107 | 38.5 Ų | 38.5 | 65% | 0.648 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -100.5 | -45.7 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | D24 Q25 A26 R78 | D24-V28 WeakPolarHBondContact O-CG2 3.5Å; D24-V28 PolarHBondContact O-N 3.15Å; Q25-V28 PolarHBondContact O-N 3.35Å; Q25-V28 VanDerWaalsContact O-N 3.16Å; A26-V28 VanDerWaalsContact C-N 3.3Å; V28-R78 PolarHBondContact O-NH1 3Å; V28-R78 PolarHBondContact O-NH2 3.49Å |
| 29 | E | 74.5 | Confident | 64.6 | Low | 60 Ų | 60 | 36.9 Ų | 36.9 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -135.3 | 170 | -177.1 | 60.2 | -177.3 | 175.9 | 0 | 0 | 114.5 | Q25 A26 I31 R78 K110 | Q25-E29 PolarHBondContact O-N 3.31Å; A26-E29 CarbonylContact C-O 3.54Å; A26-E29 WeakPolarHBondContact CA-O 3.44Å; A26-E29 VanDerWaalsContact O-O 3.11Å; E29-I31 HydrophobicContact CG-CG2 3.98Å; E29-R78 VanDerWaalsContact C-NH1 3.28Å; E29-R78 VanDerWaalsContact CA-NH1 3.27Å; E29-R78 PolarHBondContact O-NH1 3.05Å; E29-K110 WeakPolarHBondContact OE1-CD 3.41Å; E29-K110 IonicContact OE1-NZ 3.65Å; E29-K110 PolarHBondContact OE1-NZ 2.95Å; E29-K110 WeakPolarHBondContact OE2-CE 3.29Å; E29-K110 IonicContact OE2-NZ 2.72Å; E29-K110 PolarHBondContact OE2-NZ 3.47Å |
| 30 | N | 79.3 | Confident | 64.2 | Low | 32 Ų | 32 | 38.6 Ų | 38.6 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | trans | -77.2 | 125.9 | 175.1 | -73.4 | -13.3 | 0 | 0 | 0 | 110 | R78 I79 H108 C109 K110 | N30-R78 WeakPolarHBondContact OD1-CA 3.42Å; N30-I79 WeakPolarHBondContact CA-O 3.23Å; N30-I79 HydrophobicContact CB-CB 4.38Å; N30-I79 PolarHBondContact OD1-N 3.09Å; N30-H108 WeakPolarHBondContact CB-O 3.39Å; N30-H108 PolarHBondContact ND2-O 3.35Å; N30-C109 HydrophobicContact CB-CB 4.21Å; N30-C109 CarbonylContact O-C 3.44Å; N30-C109 VanDerWaalsContact O-CA 3.27Å; N30-C109 WeakPolarHBondContact O-CA 3.22Å; N30-K110 PolarHBondContact O-N 3.28Å | ||
| 31 | I | 77.3 | Confident | 64 | Low | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.9 | -175.8 | 69.9 | 171.1 | 0 | 0 | 0 | 114 | L22 Q25 A26 E29 V33 I79 L80 G81 K110 A112 | L22-I31 HydrophobicContact CD2-CD1 4.47Å; L22-I31 VanDerWaalsContact O-CD1 3.24Å; L22-I31 WeakPolarHBondContact O-CD1 3.19Å; Q25-I31 HydrophobicContact CB-CD1 4.21Å; Q25-I31 HydrophobicContact CB-CG2 4.32Å; A26-I31 HydrophobicContact CB-CD1 3.73Å; A26-I31 HydrophobicContact CB-CG1 3.91Å; E29-I31 HydrophobicContact CG-CG2 3.98Å; I31-V33 HydrophobicContact CD1-CG2 3.51Å; I31-V33 HydrophobicContact CG1-CG2 3.85Å; I31-I79 PolarHBondContact N-O 2.68Å; I31-L80 HydrophobicContact CD1-CD1 4.38Å; I31-L80 HydrophobicContact CG1-CD1 3.79Å; I31-L80 WeakPolarHBondContact O-CA 3.42Å; I31-G81 PolarHBondContact O-N 3.25Å; I31-K110 CarbonylContact C-O 3.59Å; I31-K110 VanDerWaalsContact CA-O 3.27Å; I31-K110 WeakPolarHBondContact CA-O 3.37Å; I31-A112 HydrophobicContact CB-CB 3.99Å; I31-A112 HydrophobicContact CD1-CB 3.95Å; I31-A112 HydrophobicContact CG2-CB 4.2Å |
| 32 | I | 76.3 | Confident | 63.9 | Low | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.8 | 168.5 | -63 | 165.5 | 0 | 0 | 0 | 108.1 | G81 T83 L103 L107 C109 K110 I111 A112 | I32-G81 CarbonylContact C-O 3.5Å; I32-G81 VanDerWaalsContact CA-O 3.23Å; I32-G81 WeakPolarHBondContact CA-O 3.46Å; I32-T83 HydrophobicContact CG2-CG2 4.22Å; I32-L103 HydrophobicContact CD1-CD2 4.1Å; I32-L103 HydrophobicContact CD1-CG 4.05Å; I32-L107 HydrophobicContact CD1-CB 4.41Å; I32-L107 HydrophobicContact CD1-CD1 3.7Å; I32-C109 HydrophobicContact CD1-CB 3.89Å; I32-C109 HydrophobicContact CG1-CB 3.74Å; I32-K110 PolarHBondContact N-O 3.47Å; I32-I111 HydrophobicContact CB-CG1 4.16Å; I32-I111 HydrophobicContact CD1-CG1 4.26Å; I32-I111 HydrophobicContact CG2-CG1 4.48Å; I32-I111 CarbonylContact O-C 3.53Å; I32-A112 PolarHBondContact O-N 3.02Å |
| 33 | V | 69.7 | Low | 63.7 | Low | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 114.3 | -176.6 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | L22 I31 I35 L44 L80 G81 L82 T83 A114 | L22-V33 HydrophobicContact CD1-CG1 3.8Å; L22-V33 HydrophobicContact CD2-CG1 4.23Å; L22-V33 HydrophobicContact CD2-CG2 4.29Å; I31-V33 HydrophobicContact CD1-CG2 3.51Å; I31-V33 HydrophobicContact CG1-CG2 3.85Å; V33-I35 HydrophobicContact CB-CG1 4.31Å; V33-I35 HydrophobicContact CG1-CD1 4.04Å; V33-I35 HydrophobicContact CG1-CG1 3.64Å; V33-I35 PolarHBondContact O-N 2.72Å; V33-L44 HydrophobicContact CG2-CD2 3.85Å; V33-L80 HydrophobicContact CG2-CD1 4Å; V33-G81 PolarHBondContact N-O 3.39Å; V33-L82 HydrophobicContact CB-CD2 4Å; V33-L82 HydrophobicContact CG2-CD2 4.4Å; V33-T83 PolarHBondContact O-N 2.91Å; V33-A114 HydrophobicContact CG1-CB 4.14Å |
| 34 | P | 64.8 | Low | 63.5 | Low | 14 Ų | 14 | 40.7 Ų | 40.7 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 109.5 | 171.2 | 31.9 | -30.6 | 0 | 0 | 0 | 110.4 | T83 F86 A112 A113 | P34-T83 WeakPolarHBondContact CA-O 3.33Å; P34-T83 HydrophobicContact CB-CG2 3.94Å; P34-F86 HydrophobicContact CB-CD2 3.87Å; P34-F86 HydrophobicContact CB-CE2 3.73Å; P34-F86 HydrophobicContact CG-CD2 4.26Å; P34-F86 HydrophobicContact CG-CE2 3.92Å; P34-A112 WeakPolarHBondContact CD-O 3.49Å; P34-A113 HydrophobicContact CG-CB 4.29Å |
| 35 | I | 60.7 | Low | 63.4 | Low | 18 Ų | 18 | 38.2 Ų | 38.2 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 141.8 | -175.5 | -58.3 | -176.6 | 0 | 0 | 0 | 110.5 | V33 A39 L82 T83 L84 S85 | V33-I35 HydrophobicContact CB-CG1 4.31Å; V33-I35 HydrophobicContact CG1-CD1 4.04Å; V33-I35 HydrophobicContact CG1-CG1 3.64Å; V33-I35 PolarHBondContact O-N 2.72Å; I35-A39 HydrophobicContact CG2-CB 3.55Å; I35-A39 WeakPolarHBondContact CG2-O 3.29Å; I35-L82 HydrophobicContact CD1-CD2 4.01Å; I35-T83 PolarHBondContact N-O 2.94Å; I35-L84 CarbonylContact O-C 3.29Å; I35-L84 WeakPolarHBondContact O-CA 3.47Å; I35-S85 PolarHBondContact O-N 3.3Å |
| 36 | G | 54.4 | Low | 63 | Low | 9 Ų | 9 | 37.8 Ų | 37.8 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | trans | -64.8 | 151.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S38 A39 | G36-S38 PolarHBondContact O-N 3.17Å; G36-A39 PolarHBondContact O-N 3.31Å | ||
| 37 | P | 50.2 | Low | 62.5 | Low | 101 Ų | 101 | 38.4 Ų | 38.4 | 66% | 0.656 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -4.8 | -172.8 | 28 | -36.4 | 0 | 0 | 0 | 115.3 | L84 | P37-L84 HydrophobicContact CB-CD2 4.16Š|
| 38 | S | 48.4 | Very low | 62.3 | Low | 56 Ų | 56 | 37 Ų | 37 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -2.5 | -176.7 | 41.7 | 0 | 0 | 0 | 0 | 113.7 | G36 D362 | G36-S38 PolarHBondContact O-N 3.17Å; S38-D362 WeakPolarHBondContact OG-CB 3.19Å |
| 39 | A | 50.7 | Low | 61.9 | Low | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -90.7 | 115.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | I35 G36 | I35-A39 HydrophobicContact CG2-CB 3.55Å; I35-A39 WeakPolarHBondContact CG2-O 3.29Å; G36-A39 PolarHBondContact O-N 3.31Å |
| 40 | P | 52.2 | Low | 60.9 | Low | 57 Ų | 57 | 36.9 Ų | 36.9 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | trans | -67.1 | 150 | -178.4 | 6.8 | 5.1 | 0 | 0 | 0 | 108.8 | F13 | F13-P40 HydrophobicContact CD1-CB 4.38Å; F13-P40 HydrophobicContact CD1-CG 3.95Å; F13-P40 HydrophobicContact CE1-CB 3.37Å; F13-P40 HydrophobicContact CE1-CG 3.41Å; F13-P40 VanDerWaalsContact CE1-CG 3.41Å; F13-P40 WeakPolarHBondContact CE1-O 3.35Å; F13-P40 HydrophobicContact CZ-CB 3.7Å; F13-P40 HydrophobicContact CZ-CG 4.01Å | ||
| 41 | K | 54.9 | Low | 60.1 | Low | 78 Ų | 78 | 39 Ų | 39 | 34% | 0.339 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -87.2 | -25.6 | -161.9 | -69.4 | 172 | -175.4 | 169.3 | 0 | 112 | Y43 L82 | K41-Y43 PolarHBondContact O-N 3.44Å; K41-L82 HydrophobicContact CB-CD1 3.96Å; K41-L82 WeakPolarHBondContact O-CD1 3.28Å |
| 42 | D | 57.7 | Low | 59.2 | Low | 93 Ų | 93 | 41.2 Ų | 41.2 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -75 | -36.4 | -155.2 | -44.8 | -79.6 | 0 | 0 | 0 | 110.8 | F13 L44 C45 L46 | F13-D42 HydrophobicContact CZ-CB 4.1Å; D42-L44 VanDerWaalsContact C-N 3.29Å; D42-L44 PolarHBondContact O-N 3.5Å; D42-L44 VanDerWaalsContact O-N 3.12Å; D42-C45 CarbonylContact O-C 3.55Å; D42-C45 WeakPolarHBondContact O-CA 3.45Å; D42-C45 WeakPolarHBondContact O-CB 3.44Å; D42-C45 PolarHBondContact O-N 3.25Å; D42-L46 HydrophobicContact CB-CD1 4.3Å; D42-L46 WeakPolarHBondContact O-CG 3.33Å; D42-L46 PolarHBondContact O-N 3.19Å |
| 43 | Y | 59.3 | Low | 58.2 | Low | 19 Ų | 19 | 42.1 Ų | 42.1 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -45 | -45.1 | 175.3 | 175.1 | -93.3 | 0 | 0 | 0 | 115.2 | F13 R19 K41 C45 L46 M47 | F13-Y43 HydrophobicContact CB-CD2 3.36Å; F13-Y43 HydrophobicContact CB-CE2 4.06Å; F13-Y43 HydrophobicContact CB-CG 3.88Å; F13-Y43 HydrophobicContact CD1-CD2 4.36Å; F13-Y43 HydrophobicContact CD1-CG 4.05Å; F13-Y43 HydrophobicContact CD2-CD2 4.34Å; F13-Y43 VanDerWaalsContact CE1-CB 3.48Å; F13-Y43 AromaticContact CG-CD2 3.84Å; F13-Y43 HydrophobicContact CG-CD2 3.84Å; F13-Y43 HydrophobicContact CG-CG 4Å; R19-Y43 HydrophobicContact CB-CD1 4.4Å; R19-Y43 HydrophobicContact CB-CE1 3.87Å; K41-Y43 PolarHBondContact O-N 3.44Å; Y43-C45 VanDerWaalsContact C-N 3.32Å; Y43-C45 PolarHBondContact O-N 3.26Å; Y43-L46 PolarHBondContact O-N 3.02Å; Y43-M47 HydrophobicContact CD1-CG 4.24Å; Y43-M47 HydrophobicContact CD2-CG 3.82Å; Y43-M47 HydrophobicContact CE1-CG 3.95Å; Y43-M47 HydrophobicContact CE2-CG 3.53Å; Y43-M47 HydrophobicContact CE2-SD 4.02Å; Y43-M47 HydrophobicContact CG-CG 4.18Å; Y43-M47 WeakPolarHBondContact O-CB 3.22Å; Y43-M47 VanDerWaalsContact O-CG 3.3Å; Y43-M47 WeakPolarHBondContact O-CG 3.44Å; Y43-M47 PolarHBondContact O-N 2.88Å |
| 44 | L | 61.4 | Low | 57.3 | Low | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.3 | -33.7 | -177.6 | -146.1 | 91.5 | 0 | 0 | 0 | 111.4 | R19 L22 L23 V33 D42 L48 L80 L82 | R19-L44 WeakPolarHBondContact O-CD1 3.2Å; L22-L44 HydrophobicContact CB-CD1 3.99Å; L22-L44 HydrophobicContact CB-CD2 4.2Å; L23-L44 HydrophobicContact CB-CD1 4.45Å; V33-L44 HydrophobicContact CG2-CD2 3.85Å; D42-L44 VanDerWaalsContact C-N 3.29Å; D42-L44 PolarHBondContact O-N 3.5Å; D42-L44 VanDerWaalsContact O-N 3.12Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 PolarHBondContact O-N 3.41Å; L44-L48 VanDerWaalsContact O-N 3.15Å; L44-L80 HydrophobicContact CB-CD2 4.43Å; L44-L80 HydrophobicContact CD2-CD1 3.92Å; L44-L80 HydrophobicContact CD2-CD2 4.15Å; L44-L82 HydrophobicContact CD2-CD2 4.39Å |
| 45 | C | 63 | Low | 56.4 | Low | 43 Ų | 43 | 52 Ų | 52 | 29% | 0.291 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.3 | -46.9 | 169.7 | -73.6 | 0 | 0 | 0 | 0 | 111.6 | D42 Y43 L48 I49 L82 | D42-C45 CarbonylContact O-C 3.55Å; D42-C45 WeakPolarHBondContact O-CA 3.45Å; D42-C45 WeakPolarHBondContact O-CB 3.44Å; D42-C45 PolarHBondContact O-N 3.25Å; Y43-C45 VanDerWaalsContact C-N 3.32Å; Y43-C45 PolarHBondContact O-N 3.26Å; C45-L48 PolarHBondContact O-N 2.83Å; C45-I49 WeakPolarHBondContact O-CB 3.39Å; C45-I49 WeakPolarHBondContact O-CD1 3.49Å; C45-I49 WeakPolarHBondContact O-CG1 3.34Å; C45-I49 PolarHBondContact O-N 2.82Å; C45-L82 WeakPolarHBondContact SG-CD1 3.17Å |
| 46 | L | 59.5 | Low | 55.6 | Low | 38 Ų | 38 | 55.6 Ų | 55.6 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | -175.6 | -64.1 | -179 | 0 | 0 | 0 | 112.1 | I8 D42 Y43 I49 R50 | I8-L46 HydrophobicContact CG2-CB 4.35Å; I8-L46 HydrophobicContact CG2-CD1 3.74Å; I8-L46 HydrophobicContact CG2-CD2 3.6Å; I8-L46 HydrophobicContact CG2-CG 4.07Å; D42-L46 HydrophobicContact CB-CD1 4.3Å; D42-L46 WeakPolarHBondContact O-CG 3.33Å; D42-L46 PolarHBondContact O-N 3.19Å; Y43-L46 PolarHBondContact O-N 3.02Å; L46-I49 PolarHBondContact O-N 3.24Å; L46-R50 WeakPolarHBondContact O-CB 3.49Å; L46-R50 PolarHBondContact O-N 3.36Å |
| 47 | M | 58.1 | Low | 55 | Low | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.069 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68 | -39.7 | 172.9 | -65.9 | -62.1 | 96.2 | 0 | 0 | 111.8 | T10 L23 Y43 I49 R50 E51 | T10-M47 HydrophobicContact CG2-CE 3.56Å; L23-M47 HydrophobicContact CD1-CB 3.77Å; L23-M47 HydrophobicContact CD2-CB 3.73Å; L23-M47 HydrophobicContact CD2-CG 4.44Å; L23-M47 HydrophobicContact CG-CB 4.4Å; Y43-M47 HydrophobicContact CD1-CG 4.24Å; Y43-M47 HydrophobicContact CD2-CG 3.82Å; Y43-M47 HydrophobicContact CE1-CG 3.95Å; Y43-M47 HydrophobicContact CE2-CG 3.53Å; Y43-M47 HydrophobicContact CE2-SD 4.02Å; Y43-M47 HydrophobicContact CG-CG 4.18Å; Y43-M47 WeakPolarHBondContact O-CB 3.22Å; Y43-M47 VanDerWaalsContact O-CG 3.3Å; Y43-M47 WeakPolarHBondContact O-CG 3.44Å; Y43-M47 PolarHBondContact O-N 2.88Å; M47-I49 VanDerWaalsContact C-N 3.32Å; M47-I49 PolarHBondContact O-N 3.01Å; M47-R50 WeakPolarHBondContact O-CB 3.24Å; M47-R50 PolarHBondContact O-N 3.2Å; M47-E51 WeakPolarHBondContact O-CG 3.25Å; M47-E51 PolarHBondContact O-N 3.04Å |
| 48 | L | 64 | Low | 54.6 | Low | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.089 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 174.8 | -168.2 | 70.8 | 0 | 0 | 0 | 111.5 | L23 A26 L27 L44 C45 M52 L80 | L23-L48 HydrophobicContact CD1-CB 4.17Å; L23-L48 HydrophobicContact CD1-CD1 4.26Å; A26-L48 HydrophobicContact CB-CD1 3.7Å; A26-L48 HydrophobicContact CB-CD2 4.14Å; L27-L48 HydrophobicContact CD2-CD1 3.68Å; L27-L48 HydrophobicContact CG-CD1 3.9Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 PolarHBondContact O-N 3.41Å; L44-L48 VanDerWaalsContact O-N 3.15Å; C45-L48 PolarHBondContact O-N 2.83Å; L48-M52 HydrophobicContact CD1-CG 4.39Å; L48-M52 HydrophobicContact CG-CG 4.26Å; L48-M52 WeakPolarHBondContact O-CB 3.43Å; L48-M52 WeakPolarHBondContact O-CG 3.37Å; L48-M52 PolarHBondContact O-N 2.95Å; L48-L80 HydrophobicContact CD2-CB 4Å; L48-L80 HydrophobicContact CD2-CD2 3.95Å |
| 49 | I | 62.8 | Low | 54 | Low | 101 Ų | 101 | 68.9 Ų | 68.9 | 52% | 0.518 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174.3 | -72.3 | 162.6 | 0 | 0 | 0 | 110.7 | C45 L46 M47 S53 | C45-I49 WeakPolarHBondContact O-CB 3.39Å; C45-I49 WeakPolarHBondContact O-CD1 3.49Å; C45-I49 WeakPolarHBondContact O-CG1 3.34Å; C45-I49 PolarHBondContact O-N 2.82Å; L46-I49 PolarHBondContact O-N 3.24Å; M47-I49 VanDerWaalsContact C-N 3.32Å; M47-I49 PolarHBondContact O-N 3.01Å; I49-S53 WeakPolarHBondContact O-CB 3.34Å; I49-S53 PolarHBondContact O-N 2.8Å; I49-S53 PolarHBondContact O-OG 3.23Å |
| 50 | R | 55.5 | Low | 53.6 | Low | 64 Ų | 64 | 76.1 Ų | 76.1 | 24% | 0.242 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.7 | -58.7 | 175.3 | 166.8 | -177.6 | 158.5 | 148.2 | 6 | 111.1 | L46 M47 M52 S53 A54 Y1490 | L46-R50 WeakPolarHBondContact O-CB 3.49Å; L46-R50 PolarHBondContact O-N 3.36Å; M47-R50 WeakPolarHBondContact O-CB 3.24Å; M47-R50 PolarHBondContact O-N 3.2Å; R50-M52 PolarHBondContact O-N 3.13Å; R50-S53 PolarHBondContact O-N 3.45Å; R50-S53 VanDerWaalsContact O-N 3.09Å; R50-S53 PolarHBondContact O-OG 2.85Å; R50-A54 PolarHBondContact O-N 3.09Å; R50-Y1490 PolarHBondContact NH1-OH 3.13Å |
| 51 | E | 60.6 | Low | 53.2 | Low | 76 Ų | 76 | 79 Ų | 79 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | -175.8 | -64.4 | -53.8 | 131.4 | 0 | 0 | 112.8 | L27 M47 | L27-E51 HydrophobicContact CD1-CB 4.26Å; L27-E51 HydrophobicContact CD1-CG 4.31Å; L27-E51 HydrophobicContact CD2-CB 3.61Å; L27-E51 HydrophobicContact CD2-CG 4.49Å; M47-E51 WeakPolarHBondContact O-CG 3.25Å; M47-E51 PolarHBondContact O-N 3.04Å |
| 52 | M | 59.7 | Low | 52.3 | Low | 47 Ų | 47 | 83.6 Ų | 83.6 | 23% | 0.232 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -73.3 | -26.9 | 172.3 | -66.5 | -105.1 | 82.3 | 0 | 0 | 113.1 | L48 R50 Q55 T56 R78 | L48-M52 HydrophobicContact CD1-CG 4.39Å; L48-M52 HydrophobicContact CG-CG 4.26Å; L48-M52 WeakPolarHBondContact O-CB 3.43Å; L48-M52 WeakPolarHBondContact O-CG 3.37Å; L48-M52 PolarHBondContact O-N 2.95Å; R50-M52 PolarHBondContact O-N 3.13Å; M52-Q55 VanDerWaalsContact CE-OE1 3.28Å; M52-Q55 PolarHBondContact O-N 3.47Å; M52-T56 PolarHBondContact O-OG1 2.87Å; M52-R78 WeakPolarHBondContact SD-CD 3.18Å; M52-R78 HydrophobicContact SD-CG 4.01Å |
| 53 | S | 55.5 | Low | 51.1 | Low | 29 Ų | 29 | 87.3 Ų | 87.3 | 20% | 0.203 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 179.8 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | I49 R50 Q55 T56 H57 | I49-S53 WeakPolarHBondContact O-CB 3.34Å; I49-S53 PolarHBondContact O-N 2.8Å; I49-S53 PolarHBondContact O-OG 3.23Å; R50-S53 PolarHBondContact O-N 3.45Å; R50-S53 VanDerWaalsContact O-N 3.09Å; R50-S53 PolarHBondContact O-OG 2.85Å; S53-Q55 PolarHBondContact O-N 3.4Å; S53-T56 PolarHBondContact O-N 2.99Å; S53-T56 PolarHBondContact O-OG1 3.34Å; S53-H57 PolarHBondContact O-CD2 3.41Å; S53-H57 PolarHBondContact O-N 3.03Å |
| 54 | A | 50.1 | Low | 49.9 | Very low | 76 Ų | 76 | 88.9 Ų | 88.9 | 63% | 0.628 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.6 | -32.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R50 T56 | R50-A54 PolarHBondContact O-N 3.09Å; A54-T56 VanDerWaalsContact C-N 3.35Å |
| 55 | Q | 46 | Very low | 48.3 | Very low | 146 Ų | 146 | 98.1 Ų | 98.1 | 68% | 0.682 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.7 | 178.1 | -59.5 | -177.3 | -2.7 | 0 | 0 | 114.1 | M52 S53 | M52-Q55 VanDerWaalsContact CE-OE1 3.28Å; M52-Q55 PolarHBondContact O-N 3.47Å; S53-Q55 PolarHBondContact O-N 3.4Å |
| 56 | T | 44.3 | Very low | 47.1 | Very low | 93 Ų | 93 | 108.2 Ų | 108.2 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | trans | -133.5 | 18.5 | -168 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | M52 S53 A54 Y58 | M52-T56 PolarHBondContact O-OG1 2.87Å; S53-T56 PolarHBondContact O-N 2.99Å; S53-T56 PolarHBondContact O-OG1 3.34Å; A54-T56 VanDerWaalsContact C-N 3.35Å; T56-Y58 PolarHBondContact O-N 3.25Å | ||
| 57 | H | 40.6 | Very low | 45.6 | Very low | 156 Ų | 156 | 110.5 Ų | 110.5 | 72% | 0.722 | 57% | 0.569 | S | S | * | * | trans | -73.1 | 78.6 | -175.5 | -116.1 | -81.3 | 0 | 0 | 0 | 114.4 | S53 | S53-H57 PolarHBondContact O-CD2 3.41Å; S53-H57 PolarHBondContact O-N 3.03Å | ||
| 58 | Y | 42.5 | Very low | 44.3 | Very low | 210 Ų | 210 | 115.2 Ų | 115.2 | 82% | 0.824 | 61% | 0.609 | S | S | * | * | trans | -93.4 | 137.9 | 162.3 | -73.1 | -81.1 | 0 | 0 | 0 | 111.1 | T56 | T56-Y58 PolarHBondContact O-N 3.25Š| ||
| 59 | S | 36.2 | Very low | 42.7 | Very low | 78 Ų | 78 | 120.8 Ų | 120.8 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | trans | -61.8 | 135.7 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | C61 K62 | S59-C61 PolarHBondContact O-N 3.18Å; S59-C61 PolarHBondContact OG-N 3.21Å; S59-K62 PolarHBondContact O-N 2.8Å | ||
| 60 | L | 42.1 | Very low | 41.3 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -27.2 | 179.5 | -144.7 | 80.1 | 0 | 0 | 0 | 112.8 | K62 | L60-K62 PolarHBondContact O-N 2.85Š|
| 61 | C | 44.6 | Very low | 40.4 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 78% | 0.784 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -8.2 | 178.7 | -52.5 | 0 | 0 | 0 | 0 | 114.5 | S59 | S59-C61 PolarHBondContact O-N 3.18Å; S59-C61 PolarHBondContact OG-N 3.21Å |
| 62 | K | 34.9 | Very low | 39.4 | Very low | 175 Ų | 175 | 124 Ų | 124 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 78.9 | 177 | -71.8 | -173.8 | 176.6 | 179.1 | 0 | 112 | S59 L60 | S59-K62 PolarHBondContact O-N 2.8Å; L60-K62 PolarHBondContact O-N 2.85Å |
| 63 | N | 33.5 | Very low | 39 | Very low | 172 Ų | 172 | 129 Ų | 129 | 92% | 0.92 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 44.8 | 162.1 | -65.2 | -15.8 | 0 | 0 | 0 | 117.5 | K65 | N63-K65 PolarHBondContact O-N 3.38Š|
| 64 | G | 34 | Very low | 38.9 | Very low | 52 Ų | 52 | 134.9 Ų | 134.9 | 54% | 0.536 | 73% | 0.728 | S | S | . | * | trans | -92.2 | 36.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | R66 | G64-R66 PolarHBondContact O-N 3.46Š| ||
| 65 | K | 27.6 | Very low | 39.2 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | trans | -71.5 | 110.9 | 173.7 | -90.6 | -171.6 | 176 | -179.8 | 0 | 110.7 | N63 S67 | N63-K65 PolarHBondContact O-N 3.38Å; K65-S67 VanDerWaalsContact C-N 3.31Å; K65-S67 PolarHBondContact O-N 2.85Å | ||
| 66 | R | 36.8 | Very low | 39.9 | Very low | 255 Ų | 255 | 135.3 Ų | 135.3 | 96% | 0.962 | 72% | 0.716 | S | S | * | * | trans | -72.3 | 77.8 | 174.2 | -74.5 | -172.2 | 175.3 | -179 | -0.2 | 112.3 | G64 | G64-R66 PolarHBondContact O-N 3.46Š| ||
| 67 | S | 28.3 | Very low | 40.8 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 130.2 | 159.7 | 51.8 | 0 | 0 | 0 | 0 | 109.7 | K65 I69 | K65-S67 VanDerWaalsContact C-N 3.31Å; K65-S67 PolarHBondContact O-N 2.85Å; S67-I69 PolarHBondContact O-N 3.23Å |
| 68 | A | 31.8 | Very low | 42 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 93% | 0.926 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 121 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 69 | I | 29.6 | Very low | 43.3 | Very low | 134 Ų | 134 | 126 Ų | 126 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 138.3 | 175.5 | -64.2 | 173.8 | 0 | 0 | 0 | 108.3 | S67 V71 | S67-I69 PolarHBondContact O-N 3.23Å; I69-V71 WeakPolarHBondContact O-CG2 3.31Å; I69-V71 PolarHBondContact O-N 3.43Å |
| 70 | V | 33.5 | Very low | 44.9 | Very low | 148 Ų | 148 | 123.9 Ų | 123.9 | 90% | 0.897 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 117.8 | 170.1 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 71 | V | 36.9 | Very low | 46.2 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 42% | 0.418 | 63% | 0.634 | S | S | . | * | trans | -106.3 | 147.1 | -173.3 | -159.9 | 0 | 0 | 0 | 0 | 110.1 | I69 N75 | I69-V71 WeakPolarHBondContact O-CG2 3.31Å; I69-V71 PolarHBondContact O-N 3.43Å; V71-N75 WeakPolarHBondContact CB-O 3.24Å; V71-N75 HydrophobicContact CG1-CB 3.48Å; V71-N75 VanDerWaalsContact CG1-CB 3.48Å; V71-N75 WeakPolarHBondContact CG1-O 3.07Å | ||
| 72 | P | 39.5 | Very low | 47.2 | Very low | 93 Ų | 93 | 114.4 Ų | 114.4 | 60% | 0.604 | 61% | 0.61 | S | S | * | * | trans | -54.9 | 162.9 | 173.7 | -28.9 | 37.2 | 0 | 0 | 0 | 113.9 | D74 N75 | P72-D74 PolarHBondContact O-N 3.35Å; P72-N75 PolarHBondContact O-N 3.14Å; P72-N75 VanDerWaalsContact O-N 3.09Å | ||
| 73 | Q | 51 | Low | 48.7 | Very low | 150 Ų | 150 | 108 Ų | 108 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -23 | -168.7 | -66.5 | -159.6 | 4.1 | 0 | 0 | 114.8 | R76 | Q73-R76 WeakPolarHBondContact O-CG 3.47Å; Q73-R76 PolarHBondContact O-NE 3.49Å |
| 74 | D | 54.2 | Low | 49.9 | Very low | 153 Ų | 153 | 102.1 Ų | 102.1 | 82% | 0.818 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -12.5 | -176.1 | -42.9 | -70.4 | 0 | 0 | 0 | 113.6 | P72 | P72-D74 PolarHBondContact O-N 3.35Š|
| 75 | N | 56.1 | Low | 51.1 | Low | 126 Ų | 126 | 101.4 Ų | 101.4 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -125.7 | 49.1 | -179.8 | -98.1 | -27.4 | 0 | 0 | 0 | 111.4 | V71 P72 | V71-N75 WeakPolarHBondContact CB-O 3.24Å; V71-N75 HydrophobicContact CG1-CB 3.48Å; V71-N75 VanDerWaalsContact CG1-CB 3.48Å; V71-N75 WeakPolarHBondContact CG1-O 3.07Å; P72-N75 PolarHBondContact O-N 3.14Å; P72-N75 VanDerWaalsContact O-N 3.09Å |
| 76 | R | 59.1 | Low | 52.8 | Low | 105 Ų | 105 | 93.2 Ų | 93.2 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 141.7 | 174.8 | -64.1 | 177.1 | -165.5 | -148.3 | 5.9 | 110.8 | Q73 H108 | Q73-R76 WeakPolarHBondContact O-CG 3.47Å; Q73-R76 PolarHBondContact O-NE 3.49Å; R76-H108 PolarHBondContact NH1-CD2 3.46Å; R76-H108 PolarHBondContact NH1-CE1 3.39Å; R76-H108 PolarHBondContact NH1-NE2 3.28Å |
| 77 | P | 63.2 | Low | 53.9 | Low | 96 Ų | 96 | 83 Ų | 83 | 62% | 0.623 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 157.9 | 172.6 | 29.9 | -35.8 | 0 | 0 | 0 | 111.3 | ||
| 78 | R | 67.3 | Low | 55.6 | Low | 94 Ų | 94 | 79.4 Ų | 79.4 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 137.5 | 170.3 | -76.5 | -155.1 | 178.6 | -80.3 | -18.4 | 111 | A26 L27 V28 E29 N30 M52 | A26-R78 VanDerWaalsContact O-CD 3.31Å; A26-R78 WeakPolarHBondContact O-CD 3.35Å; A26-R78 PolarHBondContact O-NE 3.03Å; A26-R78 PolarHBondContact O-NH1 3.13Å; L27-R78 VanDerWaalsContact C-CZ 3.48Å; L27-R78 PolarHBondContact O-NE 3.46Å; L27-R78 PolarHBondContact O-NH2 3Å; V28-R78 PolarHBondContact O-NH1 3Å; V28-R78 PolarHBondContact O-NH2 3.49Å; E29-R78 VanDerWaalsContact C-NH1 3.28Å; E29-R78 VanDerWaalsContact CA-NH1 3.27Å; E29-R78 PolarHBondContact O-NH1 3.05Å; N30-R78 WeakPolarHBondContact OD1-CA 3.42Å; M52-R78 WeakPolarHBondContact SD-CD 3.18Å; M52-R78 HydrophobicContact SD-CG 4.01Å |
| 79 | I | 69.7 | Low | 57.1 | Low | 74 Ų | 74 | 77 Ų | 77 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | trans | -118.8 | 115.8 | 177.7 | -53.9 | 178.4 | 0 | 0 | 0 | 108.3 | N30 I31 | N30-I79 WeakPolarHBondContact CA-O 3.23Å; N30-I79 HydrophobicContact CB-CB 4.38Å; N30-I79 PolarHBondContact OD1-N 3.09Å; I31-I79 PolarHBondContact N-O 2.68Å | ||
| 80 | L | 69.9 | Low | 58.9 | Low | 34 Ų | 34 | 73.3 Ų | 73.3 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.9 | 169.8 | 173.7 | 59 | 0 | 0 | 0 | 108.9 | I31 V33 L44 L48 L82 | I31-L80 HydrophobicContact CD1-CD1 4.38Å; I31-L80 HydrophobicContact CG1-CD1 3.79Å; I31-L80 WeakPolarHBondContact O-CA 3.42Å; V33-L80 HydrophobicContact CG2-CD1 4Å; L44-L80 HydrophobicContact CB-CD2 4.43Å; L44-L80 HydrophobicContact CD2-CD1 3.92Å; L44-L80 HydrophobicContact CD2-CD2 4.15Å; L48-L80 HydrophobicContact CD2-CB 4Å; L48-L80 HydrophobicContact CD2-CD2 3.95Å; L80-L82 HydrophobicContact CD1-CD2 3.85Å; L80-L82 HydrophobicContact CD2-CD2 4.21Å; L80-L82 HydrophobicContact CD2-CG 4.48Å; L80-L82 HydrophobicContact CG-CD2 3.95Å; L80-L82 HydrophobicContact CG-CG 4.23Å |
| 81 | G | 68.9 | Low | 60.8 | Low | 22 Ų | 22 | 66.5 Ų | 66.5 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 103.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I31 I32 V33 | I31-G81 PolarHBondContact O-N 3.25Å; I32-G81 CarbonylContact C-O 3.5Å; I32-G81 VanDerWaalsContact CA-O 3.23Å; I32-G81 WeakPolarHBondContact CA-O 3.46Å; V33-G81 PolarHBondContact N-O 3.39Å |
| 82 | L | 66.4 | Low | 63 | Low | 52 Ų | 52 | 67.3 Ų | 67.3 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 122.9 | 174.3 | -59.9 | -171.7 | 0 | 0 | 0 | 111.1 | V33 I35 K41 L44 C45 L80 | V33-L82 HydrophobicContact CB-CD2 4Å; V33-L82 HydrophobicContact CG2-CD2 4.4Å; I35-L82 HydrophobicContact CD1-CD2 4.01Å; K41-L82 HydrophobicContact CB-CD1 3.96Å; K41-L82 WeakPolarHBondContact O-CD1 3.28Å; L44-L82 HydrophobicContact CD2-CD2 4.39Å; C45-L82 WeakPolarHBondContact SG-CD1 3.17Å; L80-L82 HydrophobicContact CD1-CD2 3.85Å; L80-L82 HydrophobicContact CD2-CD2 4.21Å; L80-L82 HydrophobicContact CD2-CG 4.48Å; L80-L82 HydrophobicContact CG-CD2 3.95Å; L80-L82 HydrophobicContact CG-CG 4.23Å |
| 83 | T | 65.5 | Low | 64.8 | Low | 39 Ų | 39 | 63.8 Ų | 63.8 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 159.5 | 177.3 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | I32 V33 P34 I35 F86 | I32-T83 HydrophobicContact CG2-CG2 4.22Å; V33-T83 PolarHBondContact O-N 2.91Å; P34-T83 WeakPolarHBondContact CA-O 3.33Å; P34-T83 HydrophobicContact CB-CG2 3.94Å; I35-T83 PolarHBondContact N-O 2.94Å; T83-F86 HydrophobicContact CG2-CE1 4.29Å; T83-F86 HydrophobicContact CG2-CZ 4.11Å |
| 84 | L | 58 | Low | 66 | Low | 50 Ų | 50 | 62.8 Ų | 62.8 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 148.5 | 168 | -74.9 | 169.6 | 0 | 0 | 0 | 109.7 | I35 P37 F86 | I35-L84 CarbonylContact O-C 3.29Å; I35-L84 WeakPolarHBondContact O-CA 3.47Å; P37-L84 HydrophobicContact CB-CD2 4.16Å; L84-F86 PolarHBondContact O-N 3.03Å; L84-F86 VanDerWaalsContact O-N 3.14Å |
| 85 | S | 60 | Low | 67.2 | Low | 37 Ų | 37 | 60 Ų | 60 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -48.2 | 120.8 | 176.2 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | I35 S87 | I35-S85 PolarHBondContact O-N 3.3Å; S85-S87 PolarHBondContact O-N 3.15Å |
| 86 | F | 62.4 | Low | 68.1 | Low | 28 Ų | 28 | 54.4 Ų | 54.4 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 132.8 | -174.7 | -59.5 | -76 | 0 | 0 | 0 | 111.8 | P34 T83 L84 F88 F100 I111 | P34-F86 HydrophobicContact CB-CD2 3.87Å; P34-F86 HydrophobicContact CB-CE2 3.73Å; P34-F86 HydrophobicContact CG-CD2 4.26Å; P34-F86 HydrophobicContact CG-CE2 3.92Å; T83-F86 HydrophobicContact CG2-CE1 4.29Å; T83-F86 HydrophobicContact CG2-CZ 4.11Å; L84-F86 PolarHBondContact O-N 3.03Å; L84-F86 VanDerWaalsContact O-N 3.14Å; F86-F88 HydrophobicContact CB-CD1 4.12Å; F86-F88 HydrophobicContact CB-CD2 4.4Å; F86-F88 HydrophobicContact CB-CE1 3.72Å; F86-F88 HydrophobicContact CB-CE2 4.03Å; F86-F88 HydrophobicContact CB-CG 4.46Å; F86-F88 HydrophobicContact CB-CZ 3.69Å; F86-F88 HydrophobicContact CD2-CE1 4.21Å; F86-F88 AromaticContact CD2-CZ 3.97Å; F86-F88 HydrophobicContact CD2-CZ 3.97Å; F86-F88 HydrophobicContact CG-CE1 4.3Å; F86-F88 HydrophobicContact CG-CZ 4.29Å; F86-F88 WeakPolarHBondContact O-CD2 3.28Å; F86-F88 WeakPolarHBondContact O-CE2 3.4Å; F86-F88 PolarHBondContact O-N 3.4Å; F86-F88 VanDerWaalsContact O-N 3.15Å; F86-F100 HydrophobicContact CD1-CE1 4.48Å; F86-F100 AromaticContact CD2-CE1 3.94Å; F86-F100 HydrophobicContact CD2-CE1 3.94Å; F86-F100 AromaticContact CD2-CZ 3.86Å; F86-F100 HydrophobicContact CD2-CZ 3.86Å; F86-F100 HydrophobicContact CE1-CE1 4.2Å; F86-F100 AromaticContact CE2-CE1 3.61Å; F86-F100 HydrophobicContact CE2-CE1 3.61Å; F86-F100 AromaticContact CE2-CZ 3.69Å; F86-F100 HydrophobicContact CE2-CZ 3.69Å; F86-F100 HydrophobicContact CG-CE1 4.36Å; F86-F100 AromaticContact CZ-CE1 3.76Å; F86-F100 HydrophobicContact CZ-CE1 3.76Å; F86-F100 HydrophobicContact CZ-CZ 4.31Å; F86-I111 HydrophobicContact CE2-CG2 4.18Å |
| 87 | S | 59.9 | Low | 68.9 | Low | 40 Ų | 40 | 52.8 Ų | 52.8 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -79.1 | 96 | 169.4 | -166.7 | 0 | 0 | 0 | 0 | 108.7 | S85 D89 | S85-S87 PolarHBondContact O-N 3.15Å; S87-D89 VanDerWaalsContact C-N 3.31Å |
| 88 | F | 65.1 | Low | 69.5 | Low | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | trans | -80.2 | -10.7 | -176.3 | -58.5 | -76.9 | 0 | 0 | 0 | 113.7 | F86 S90 V91 L96 F100 Y381 F420 L424 | F86-F88 HydrophobicContact CB-CD1 4.12Å; F86-F88 HydrophobicContact CB-CD2 4.4Å; F86-F88 HydrophobicContact CB-CE1 3.72Å; F86-F88 HydrophobicContact CB-CE2 4.03Å; F86-F88 HydrophobicContact CB-CG 4.46Å; F86-F88 HydrophobicContact CB-CZ 3.69Å; F86-F88 HydrophobicContact CD2-CE1 4.21Å; F86-F88 AromaticContact CD2-CZ 3.97Å; F86-F88 HydrophobicContact CD2-CZ 3.97Å; F86-F88 HydrophobicContact CG-CE1 4.3Å; F86-F88 HydrophobicContact CG-CZ 4.29Å; F86-F88 WeakPolarHBondContact O-CD2 3.28Å; F86-F88 WeakPolarHBondContact O-CE2 3.4Å; F86-F88 PolarHBondContact O-N 3.4Å; F86-F88 VanDerWaalsContact O-N 3.15Å; F88-S90 PolarHBondContact O-N 3.49Å; F88-S90 VanDerWaalsContact O-N 3.1Å; F88-V91 PolarHBondContact O-N 2.83Å; F88-L96 HydrophobicContact CD1-CD1 3.79Å; F88-L96 HydrophobicContact CD1-CD2 3.58Å; F88-L96 HydrophobicContact CD1-CG 4.32Å; F88-L96 HydrophobicContact CE1-CD1 3.78Å; F88-L96 HydrophobicContact CE1-CD2 3.55Å; F88-L96 HydrophobicContact CE1-CG 4.29Å; F88-F100 HydrophobicContact CE1-CZ 4.09Å; F88-Y381 AromaticContact CD2-CD1 3.56Å; F88-Y381 HydrophobicContact CD2-CD1 3.56Å; F88-Y381 HydrophobicContact CD2-CE1 4.48Å; F88-Y381 HydrophobicContact CD2-CG 4.03Å; F88-Y381 AromaticContact CE2-CD1 3.57Å; F88-Y381 HydrophobicContact CE2-CD1 3.57Å; F88-Y381 HydrophobicContact CE2-CE1 4.11Å; F88-Y381 HydrophobicContact CE2-CG 4.46Å; F88-F420 HydrophobicContact CB-CD2 3.85Å; F88-F420 HydrophobicContact CB-CE1 4.34Å; F88-F420 HydrophobicContact CB-CE2 3.54Å; F88-F420 HydrophobicContact CB-CG 4.41Å; F88-F420 HydrophobicContact CB-CZ 3.8Å; F88-F420 HydrophobicContact CD1-CD1 4.48Å; F88-F420 HydrophobicContact CG-CD2 4.34Å; F88-F420 HydrophobicContact CG-CE2 4.44Å; F88-F420 WeakPolarHBondContact O-CZ 3.13Å; F88-L424 HydrophobicContact CE2-CD1 4.44Å; F88-L424 HydrophobicContact CZ-CD1 4.07Å; F88-L424 HydrophobicContact CZ-CD2 4.43Å | ||
| 89 | D | 62.8 | Low | 70 | Confident | 62 Ų | 62 | 48 Ų | 48 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12 | -165.7 | -55.9 | -62 | 0 | 0 | 0 | 114 | S87 S380 Y381 Y417 | S87-D89 VanDerWaalsContact C-N 3.31Å; D89-S380 WeakPolarHBondContact OD1-CA 3.37Å; D89-S380 WeakPolarHBondContact OD2-CA 3.33Å; D89-S380 WeakPolarHBondContact OD2-CB 3.4Å; D89-Y381 PolarHBondContact OD1-N 3.02Å; D89-Y417 VanDerWaalsContact OD1-CE1 3.23Å; D89-Y417 WeakPolarHBondContact OD1-CE1 3.3Å; D89-Y417 PolarHBondContact OD1-OH 3.27Å |
| 90 | S | 67.5 | Low | 70.3 | Confident | 57 Ų | 57 | 44.7 Ų | 44.7 | 40% | 0.399 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 2.7 | 179.6 | 59.9 | 0 | 0 | 0 | 0 | 115.7 | F88 N1098 S1100 | F88-S90 PolarHBondContact O-N 3.49Å; F88-S90 VanDerWaalsContact O-N 3.1Å; S90-N1098 PolarHBondContact OG-OD1 2.88Å; S90-S1100 PolarHBondContact OG-OG 3.28Å |
| 91 | V | 73.1 | Confident | 70.7 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -128 | 148.7 | -171.1 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | F88 E95 L96 A1099 L1103 | F88-V91 PolarHBondContact O-N 2.83Å; V91-E95 HydrophobicContact CG1-CB 3.74Å; V91-L96 HydrophobicContact CG1-CB 4.26Å; V91-A1099 HydrophobicContact CG2-CB 3.62Å; V91-L1103 HydrophobicContact CG1-CD1 4.49Å; V91-L1103 HydrophobicContact CG2-CD1 4.21Å |
| 92 | E | 82.6 | Confident | 71.1 | Confident | 86 Ų | 86 | 46.9 Ų | 46.9 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | trans | -86.2 | 150.4 | 173.4 | -64.9 | -60.5 | 165.7 | 0 | 0 | 112.6 | D94 E95 L96 K416 | E92-D94 VanDerWaalsContact C-N 3.27Å; E92-D94 PolarHBondContact O-N 3.24Å; E92-D94 VanDerWaalsContact O-N 3.12Å; E92-E95 HydrophobicContact CB-CG 4.44Å; E92-E95 PolarHBondContact N-OE2 1.89Å; E92-E95 PolarHBondContact O-N 3.02Å; E92-E95 VanDerWaalsContact O-N 3.11Å; E92-L96 PolarHBondContact O-N 3.31Å; E92-K416 VanDerWaalsContact OE1-CE 3.31Å; E92-K416 WeakPolarHBondContact OE1-CE 3.35Å; E92-K416 IonicContact OE1-NZ 3.41Å; E92-K416 PolarHBondContact OE1-NZ 2.91Å; E92-K416 WeakPolarHBondContact OE2-CE 3.27Å; E92-K416 IonicContact OE2-NZ 2.68Å; E92-K416 PolarHBondContact OE2-NZ 3.34Å | ||
| 93 | P | 78 | Confident | 71.6 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52 | -36.7 | -175.4 | -30.4 | 37.1 | 0 | 0 | 0 | 115.8 | M97 A419 F420 I423 | P93-M97 PolarHBondContact O-N 3.14Å; P93-M97 VanDerWaalsContact O-N 3.11Å; P93-A419 HydrophobicContact CB-CB 4.11Å; P93-A419 HydrophobicContact CG-CB 3.79Å; P93-F420 HydrophobicContact CB-CE1 4.34Å; P93-F420 HydrophobicContact CG-CD1 4.41Å; P93-F420 HydrophobicContact CG-CE1 4Å; P93-I423 HydrophobicContact CB-CD1 3.65Å; P93-I423 WeakPolarHBondContact O-CD1 3.43Å |
| 94 | D | 77.2 | Confident | 72.2 | Confident | 129 Ų | 129 | 45.9 Ų | 45.9 | 69% | 0.69 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -79.1 | -31.6 | -178.5 | -55.3 | -51.8 | 0 | 0 | 0 | 112.8 | E92 M97 S98 | E92-D94 VanDerWaalsContact C-N 3.27Å; E92-D94 PolarHBondContact O-N 3.24Å; E92-D94 VanDerWaalsContact O-N 3.12Å; D94-M97 PolarHBondContact O-N 2.86Å; D94-S98 PolarHBondContact O-N 3.47Å; D94-S98 PolarHBondContact O-OG 3.43Å |
| 95 | E | 78.7 | Confident | 73.2 | Confident | 94 Ų | 94 | 50 Ų | 50 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 170.4 | -64.4 | -172 | 129.6 | 0 | 0 | 110.6 | V91 E92 S98 A99 | V91-E95 HydrophobicContact CG1-CB 3.74Å; E92-E95 HydrophobicContact CB-CG 4.44Å; E92-E95 PolarHBondContact N-OE2 1.89Å; E92-E95 PolarHBondContact O-N 3.02Å; E92-E95 VanDerWaalsContact O-N 3.11Å; E95-S98 WeakPolarHBondContact O-CB 3.19Å; E95-S98 PolarHBondContact O-N 3.38Å; E95-A99 WeakPolarHBondContact O-CB 3.35Å; E95-A99 PolarHBondContact O-N 3.03Å |
| 96 | L | 75.2 | Confident | 74 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 175 | -178 | 71.9 | 0 | 0 | 0 | 111.7 | F88 V91 E92 S98 A99 F100 F420 | F88-L96 HydrophobicContact CD1-CD1 3.79Å; F88-L96 HydrophobicContact CD1-CD2 3.58Å; F88-L96 HydrophobicContact CD1-CG 4.32Å; F88-L96 HydrophobicContact CE1-CD1 3.78Å; F88-L96 HydrophobicContact CE1-CD2 3.55Å; F88-L96 HydrophobicContact CE1-CG 4.29Å; V91-L96 HydrophobicContact CG1-CB 4.26Å; E92-L96 PolarHBondContact O-N 3.31Å; L96-S98 PolarHBondContact O-N 3.28Å; L96-A99 PolarHBondContact O-N 3.35Å; L96-F100 HydrophobicContact CD1-CD1 4.04Å; L96-F100 HydrophobicContact CD1-CE1 3.57Å; L96-F100 HydrophobicContact CD1-CE2 4.38Å; L96-F100 HydrophobicContact CD1-CZ 3.77Å; L96-F100 HydrophobicContact CD2-CE2 4.41Å; L96-F100 HydrophobicContact CD2-CZ 4.37Å; L96-F100 HydrophobicContact CG-CE1 4.25Å; L96-F100 HydrophobicContact CG-CE2 4.23Å; L96-F100 HydrophobicContact CG-CZ 4.12Å; L96-F100 WeakPolarHBondContact O-CB 3.35Å; L96-F100 WeakPolarHBondContact O-CG 3.34Å; L96-F100 PolarHBondContact O-N 2.91Å; L96-F420 HydrophobicContact CD2-CD1 3.61Å; L96-F420 HydrophobicContact CD2-CE1 3.88Å |
| 97 | M | 75.5 | Confident | 74.5 | Confident | 72 Ų | 72 | 57.1 Ų | 57.1 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.4 | -41.3 | 175.5 | -83.8 | -64.4 | -64.8 | 0 | 0 | 111.8 | P93 D94 T101 I423 R427 | P93-M97 PolarHBondContact O-N 3.14Å; P93-M97 VanDerWaalsContact O-N 3.11Å; D94-M97 PolarHBondContact O-N 2.86Å; M97-T101 PolarHBondContact O-N 3.17Å; M97-T101 PolarHBondContact O-OG1 2.87Å; M97-I423 HydrophobicContact CG-CD1 3.95Å; M97-I423 HydrophobicContact CG-CG1 4.09Å; M97-I423 HydrophobicContact CG-CG2 4.22Å; M97-I423 HydrophobicContact SD-CB 4.35Å; M97-I423 HydrophobicContact SD-CG1 4.07Å; M97-I423 HydrophobicContact SD-CG2 3.54Å; M97-I423 VanDerWaalsContact SD-CG2 3.54Å; M97-R427 PolarHBondContact O-NH1 2.9Å; M97-R427 PolarHBondContact SD-NH1 2.74Å |
| 98 | S | 76.8 | Confident | 75.2 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 51% | 0.51 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.9 | -45.8 | 179.3 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | D94 E95 L96 F100 T101 V102 | D94-S98 PolarHBondContact O-N 3.47Å; D94-S98 PolarHBondContact O-OG 3.43Å; E95-S98 WeakPolarHBondContact O-CB 3.19Å; E95-S98 PolarHBondContact O-N 3.38Å; L96-S98 PolarHBondContact O-N 3.28Å; S98-F100 VanDerWaalsContact C-N 3.34Å; S98-F100 PolarHBondContact O-N 3.06Å; S98-T101 PolarHBondContact O-N 3.3Å; S98-T101 VanDerWaalsContact O-N 3.17Å; S98-V102 WeakPolarHBondContact O-CG2 3.45Å; S98-V102 PolarHBondContact O-N 3.42Å |
| 99 | A | 75.8 | Confident | 75.7 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E95 L96 V102 L103 L1103 | E95-A99 WeakPolarHBondContact O-CB 3.35Å; E95-A99 PolarHBondContact O-N 3.03Å; L96-A99 PolarHBondContact O-N 3.35Å; A99-V102 PolarHBondContact O-N 3.08Å; A99-L103 WeakPolarHBondContact O-CB 3.48Å; A99-L103 PolarHBondContact O-N 3.48Å; A99-L1103 HydrophobicContact CB-CD2 4.16Å |
| 100 | F | 76.8 | Confident | 76.3 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.022 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 172.4 | -78.9 | 2.5 | 0 | 0 | 0 | 111.6 | F86 F88 L96 S98 V102 L103 E104 I111 L424 R427 | F86-F100 HydrophobicContact CD1-CE1 4.48Å; F86-F100 AromaticContact CD2-CE1 3.94Å; F86-F100 HydrophobicContact CD2-CE1 3.94Å; F86-F100 AromaticContact CD2-CZ 3.86Å; F86-F100 HydrophobicContact CD2-CZ 3.86Å; F86-F100 HydrophobicContact CE1-CE1 4.2Å; F86-F100 AromaticContact CE2-CE1 3.61Å; F86-F100 HydrophobicContact CE2-CE1 3.61Å; F86-F100 AromaticContact CE2-CZ 3.69Å; F86-F100 HydrophobicContact CE2-CZ 3.69Å; F86-F100 HydrophobicContact CG-CE1 4.36Å; F86-F100 AromaticContact CZ-CE1 3.76Å; F86-F100 HydrophobicContact CZ-CE1 3.76Å; F86-F100 HydrophobicContact CZ-CZ 4.31Å; F88-F100 HydrophobicContact CE1-CZ 4.09Å; L96-F100 HydrophobicContact CD1-CD1 4.04Å; L96-F100 HydrophobicContact CD1-CE1 3.57Å; L96-F100 HydrophobicContact CD1-CE2 4.38Å; L96-F100 HydrophobicContact CD1-CZ 3.77Å; L96-F100 HydrophobicContact CD2-CE2 4.41Å; L96-F100 HydrophobicContact CD2-CZ 4.37Å; L96-F100 HydrophobicContact CG-CE1 4.25Å; L96-F100 HydrophobicContact CG-CE2 4.23Å; L96-F100 HydrophobicContact CG-CZ 4.12Å; L96-F100 WeakPolarHBondContact O-CB 3.35Å; L96-F100 WeakPolarHBondContact O-CG 3.34Å; L96-F100 PolarHBondContact O-N 2.91Å; S98-F100 VanDerWaalsContact C-N 3.34Å; S98-F100 PolarHBondContact O-N 3.06Å; F100-V102 VanDerWaalsContact C-N 3.31Å; F100-V102 PolarHBondContact O-N 3.49Å; F100-L103 PolarHBondContact O-N 3.11Å; F100-L103 VanDerWaalsContact O-N 3.12Å; F100-E104 WeakPolarHBondContact O-CB 3.35Å; F100-E104 VanDerWaalsContact O-CG 3.26Å; F100-E104 WeakPolarHBondContact O-CG 2.67Å; F100-E104 PolarHBondContact O-N 3.26Å; F100-I111 HydrophobicContact CB-CD1 3.66Å; F100-I111 HydrophobicContact CD1-CD1 3.55Å; F100-I111 HydrophobicContact CD2-CD1 4.17Å; F100-I111 HydrophobicContact CE1-CD1 4.17Å; F100-I111 HydrophobicContact CE2-CG2 4.47Å; F100-I111 HydrophobicContact CG-CD1 3.53Å; F100-I111 HydrophobicContact CZ-CG2 4.48Å; F100-L424 HydrophobicContact CE2-CD2 3.93Å; F100-L424 HydrophobicContact CZ-CD2 4.35Å; F100-R427 VanDerWaalsContact CB-CZ 3.48Å |
| 101 | T | 77.9 | Confident | 76.7 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 179.3 | -53 | 0 | 0 | 0 | 0 | 112.1 | M97 S98 Q105 R427 | M97-T101 PolarHBondContact O-N 3.17Å; M97-T101 PolarHBondContact O-OG1 2.87Å; S98-T101 PolarHBondContact O-N 3.3Å; S98-T101 VanDerWaalsContact O-N 3.17Å; T101-Q105 WeakPolarHBondContact O-CB 3.43Å; T101-Q105 VanDerWaalsContact O-CG 3.26Å; T101-Q105 WeakPolarHBondContact O-CG 3.35Å; T101-Q105 PolarHBondContact O-N 2.82Å; T101-R427 VanDerWaalsContact N-NH2 3.18Å; T101-R427 PolarHBondContact OG1-NH2 3.29Å |
| 102 | V | 78.9 | Confident | 76.4 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | S98 A99 F100 R106 I1106 | S98-V102 WeakPolarHBondContact O-CG2 3.45Å; S98-V102 PolarHBondContact O-N 3.42Å; A99-V102 PolarHBondContact O-N 3.08Å; F100-V102 VanDerWaalsContact C-N 3.31Å; F100-V102 PolarHBondContact O-N 3.49Å; V102-R106 HydrophobicContact CG1-CG 4.39Å; V102-R106 WeakPolarHBondContact O-CB 3.33Å; V102-R106 WeakPolarHBondContact O-CG 3.35Å; V102-R106 PolarHBondContact O-N 2.78Å; V102-I1106 HydrophobicContact CG1-CD1 4.32Å; V102-I1106 HydrophobicContact CG1-CG2 4.44Å |
| 103 | L | 75.5 | Confident | 75.3 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 177.9 | -170.7 | 66.7 | 0 | 0 | 0 | 111.6 | I32 A99 F100 R106 L107 I111 | I32-L103 HydrophobicContact CD1-CD2 4.1Å; I32-L103 HydrophobicContact CD1-CG 4.05Å; A99-L103 WeakPolarHBondContact O-CB 3.48Å; A99-L103 PolarHBondContact O-N 3.48Å; F100-L103 PolarHBondContact O-N 3.11Å; F100-L103 VanDerWaalsContact O-N 3.12Å; L103-R106 PolarHBondContact O-N 2.69Å; L103-L107 HydrophobicContact CD1-CD1 3.62Å; L103-L107 HydrophobicContact CD1-CG 4.31Å; L103-L107 HydrophobicContact CG-CD1 4.05Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 PolarHBondContact O-N 3.49Å; L103-I111 HydrophobicContact CB-CD1 4.48Å; L103-I111 HydrophobicContact CD2-CD1 4.07Å |
| 104 | E | 78.1 | Confident | 74.3 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 177.6 | -69.9 | 174.1 | 139.8 | 0 | 0 | 111.3 | F100 H108 C109 I111 R427 | F100-E104 WeakPolarHBondContact O-CB 3.35Å; F100-E104 VanDerWaalsContact O-CG 3.26Å; F100-E104 WeakPolarHBondContact O-CG 2.67Å; F100-E104 PolarHBondContact O-N 3.26Å; E104-H108 WeakPolarHBondContact O-CA 3.48Å; E104-H108 PolarHBondContact O-N 3.32Å; E104-C109 WeakPolarHBondContact CA-O 3.21Å; E104-C109 VanDerWaalsContact CB-O 3.23Å; E104-C109 WeakPolarHBondContact CB-O 3.13Å; E104-C109 WeakPolarHBondContact CG-O 2.8Å; E104-C109 PolarHBondContact O-N 3.16Å; E104-I111 HydrophobicContact CG-CB 4.49Å; E104-I111 HydrophobicContact CG-CD1 3.79Å; E104-I111 HydrophobicContact CG-CG1 3.73Å; E104-I111 PolarHBondContact OE1-N 2.56Å; E104-R427 IonicContact OE1-NE 3.58Å; E104-R427 IonicContact OE2-CZ 2.87Å; E104-R427 IonicContact OE2-NE 2.84Å; E104-R427 PolarHBondContact OE2-NE 2.86Å; E104-R427 IonicContact OE2-NH2 2.69Å; E104-R427 PolarHBondContact OE2-NH2 3.12Å |
| 105 | Q | 78.7 | Confident | 73.4 | Confident | 135 Ų | 135 | 51.2 Ų | 51.2 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.5 | -44.2 | 175.3 | -73.8 | 176.5 | -4.3 | 0 | 0 | 113.1 | T101 | T101-Q105 WeakPolarHBondContact O-CB 3.43Å; T101-Q105 VanDerWaalsContact O-CG 3.26Å; T101-Q105 WeakPolarHBondContact O-CG 3.35Å; T101-Q105 PolarHBondContact O-N 2.82Å |
| 106 | R | 77.7 | Confident | 72.3 | Confident | 131 Ų | 131 | 48.1 Ų | 48.1 | 49% | 0.494 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.8 | -32.6 | -179 | -77.2 | -174.9 | -178.8 | -161.6 | 3.1 | 113 | V102 L103 T1109 | V102-R106 HydrophobicContact CG1-CG 4.39Å; V102-R106 WeakPolarHBondContact O-CB 3.33Å; V102-R106 WeakPolarHBondContact O-CG 3.35Å; V102-R106 PolarHBondContact O-N 2.78Å; L103-R106 PolarHBondContact O-N 2.69Å; R106-T1109 PolarHBondContact NH1-OG1 3.21Å |
| 107 | L | 71.8 | Confident | 71.4 | Confident | 84 Ų | 84 | 48.1 Ų | 48.1 | 44% | 0.44 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -101 | -6.6 | -176.8 | -64.8 | 177.4 | 0 | 0 | 0 | 114.3 | I32 L103 C109 | I32-L107 HydrophobicContact CD1-CB 4.41Å; I32-L107 HydrophobicContact CD1-CD1 3.7Å; L103-L107 HydrophobicContact CD1-CD1 3.62Å; L103-L107 HydrophobicContact CD1-CG 4.31Å; L103-L107 HydrophobicContact CG-CD1 4.05Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 PolarHBondContact O-N 3.49Å; L107-C109 VanDerWaalsContact C-N 3.26Å; L107-C109 HydrophobicContact CB-CB 4.45Å; L107-C109 PolarHBondContact O-N 2.86Å; L107-C109 PolarHBondContact O-SG 3.32Å |
| 108 | H | 74.7 | Confident | 70.5 | Confident | 111 Ų | 111 | 46.8 Ų | 46.8 | 51% | 0.514 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 46.4 | -172.5 | -64.5 | -96.8 | 0 | 0 | 0 | 112.6 | N30 R76 E104 | N30-H108 WeakPolarHBondContact CB-O 3.39Å; N30-H108 PolarHBondContact ND2-O 3.35Å; R76-H108 PolarHBondContact NH1-CD2 3.46Å; R76-H108 PolarHBondContact NH1-CE1 3.39Å; R76-H108 PolarHBondContact NH1-NE2 3.28Å; E104-H108 WeakPolarHBondContact O-CA 3.48Å; E104-H108 PolarHBondContact O-N 3.32Å |
| 109 | C | 76.3 | Confident | 69.3 | Low | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | trans | -134.9 | 154.6 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 109.2 | N30 I32 E104 L107 | N30-C109 HydrophobicContact CB-CB 4.21Å; N30-C109 CarbonylContact O-C 3.44Å; N30-C109 VanDerWaalsContact O-CA 3.27Å; N30-C109 WeakPolarHBondContact O-CA 3.22Å; I32-C109 HydrophobicContact CD1-CB 3.89Å; I32-C109 HydrophobicContact CG1-CB 3.74Å; E104-C109 WeakPolarHBondContact CA-O 3.21Å; E104-C109 VanDerWaalsContact CB-O 3.23Å; E104-C109 WeakPolarHBondContact CB-O 3.13Å; E104-C109 WeakPolarHBondContact CG-O 2.8Å; E104-C109 PolarHBondContact O-N 3.16Å; L107-C109 VanDerWaalsContact C-N 3.26Å; L107-C109 HydrophobicContact CB-CB 4.45Å; L107-C109 PolarHBondContact O-N 2.86Å; L107-C109 PolarHBondContact O-SG 3.32Å | ||
| 110 | K | 76.1 | Confident | 68.1 | Low | 110 Ų | 110 | 44.3 Ų | 44.3 | 48% | 0.478 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 149.9 | 167.2 | -65.4 | -172.7 | -166.3 | 156.5 | 0 | 111.5 | E29 N30 I31 I32 A112 | E29-K110 WeakPolarHBondContact OE1-CD 3.41Å; E29-K110 IonicContact OE1-NZ 3.65Å; E29-K110 PolarHBondContact OE1-NZ 2.95Å; E29-K110 WeakPolarHBondContact OE2-CE 3.29Å; E29-K110 IonicContact OE2-NZ 2.72Å; E29-K110 PolarHBondContact OE2-NZ 3.47Å; N30-K110 PolarHBondContact O-N 3.28Å; I31-K110 CarbonylContact C-O 3.59Å; I31-K110 VanDerWaalsContact CA-O 3.27Å; I31-K110 WeakPolarHBondContact CA-O 3.37Å; I32-K110 PolarHBondContact N-O 3.47Å; K110-A112 PolarHBondContact O-N 2.94Å |
| 111 | I | 74.8 | Confident | 66.9 | Low | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 97.1 | 176.9 | -63.3 | 164.7 | 0 | 0 | 0 | 110.1 | I32 F86 F100 L103 E104 A113 | I32-I111 HydrophobicContact CB-CG1 4.16Å; I32-I111 HydrophobicContact CD1-CG1 4.26Å; I32-I111 HydrophobicContact CG2-CG1 4.48Å; I32-I111 CarbonylContact O-C 3.53Å; F86-I111 HydrophobicContact CE2-CG2 4.18Å; F100-I111 HydrophobicContact CB-CD1 3.66Å; F100-I111 HydrophobicContact CD1-CD1 3.55Å; F100-I111 HydrophobicContact CD2-CD1 4.17Å; F100-I111 HydrophobicContact CE1-CD1 4.17Å; F100-I111 HydrophobicContact CE2-CG2 4.47Å; F100-I111 HydrophobicContact CG-CD1 3.53Å; F100-I111 HydrophobicContact CZ-CG2 4.48Å; L103-I111 HydrophobicContact CB-CD1 4.48Å; L103-I111 HydrophobicContact CD2-CD1 4.07Å; E104-I111 HydrophobicContact CG-CB 4.49Å; E104-I111 HydrophobicContact CG-CD1 3.79Å; E104-I111 HydrophobicContact CG-CG1 3.73Å; E104-I111 PolarHBondContact OE1-N 2.56Å; I111-A113 PolarHBondContact O-N 3.42Å |
| 112 | A | 66.9 | Low | 65.6 | Low | 9 Ų | 9 | 52.6 Ų | 52.6 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | trans | -85.1 | 87.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | L22 I31 I32 P34 K110 A114 | L22-A112 HydrophobicContact CD2-CB 3.59Å; L22-A112 WeakPolarHBondContact CD2-O 3.36Å; I31-A112 HydrophobicContact CB-CB 3.99Å; I31-A112 HydrophobicContact CD1-CB 3.95Å; I31-A112 HydrophobicContact CG2-CB 4.2Å; I32-A112 PolarHBondContact O-N 3.02Å; P34-A112 WeakPolarHBondContact CD-O 3.49Å; K110-A112 PolarHBondContact O-N 2.94Å; A112-A114 PolarHBondContact O-N 2.77Å | ||
| 113 | A | 59.7 | Low | 64 | Low | 8 Ų | 8 | 55.6 Ų | 55.6 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | trans | -73.8 | 112.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | P34 I111 N115 L424 T428 | P34-A113 HydrophobicContact CG-CB 4.29Å; I111-A113 PolarHBondContact O-N 3.42Å; A113-N115 PolarHBondContact O-N 3.41Å; A113-L424 HydrophobicContact CB-CD2 3.77Å; A113-T428 HydrophobicContact CB-CG2 3.74Å; A113-T428 WeakPolarHBondContact O-CG2 3.23Å | ||
| 114 | A | 56.7 | Low | 62.7 | Low | 24 Ų | 24 | 57 Ų | 57 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | trans | -71.4 | 65.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y18 L22 V33 A112 P116 | Y18-A114 HydrophobicContact CD2-CB 4.25Å; Y18-A114 HydrophobicContact CE2-CB 4.39Å; L22-A114 HydrophobicContact CD1-CB 3.63Å; V33-A114 HydrophobicContact CG1-CB 4.14Å; A112-A114 PolarHBondContact O-N 2.77Å; A114-P116 WeakPolarHBondContact O-CD 3.44Å | ||
| 115 | N | 58.2 | Low | 61.6 | Low | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | trans | -79.1 | 120.7 | -178.5 | -170.6 | -27.7 | 0 | 0 | 0 | 111.2 | A113 I117 L118 Y381 | A113-N115 PolarHBondContact O-N 3.41Å; N115-I117 PolarHBondContact O-N 2.89Å; N115-I117 WeakPolarHBondContact OD1-CB 3.4Å; N115-I117 WeakPolarHBondContact OD1-CG1 3.18Å; N115-I117 PolarHBondContact OD1-N 3.44Å; N115-L118 HydrophobicContact CB-CD1 3.87Å; N115-L118 HydrophobicContact CB-CG 4.07Å; N115-L118 WeakPolarHBondContact O-CB 3.09Å; N115-L118 PolarHBondContact O-N 2.86Å; N115-Y381 PolarHBondContact ND2-OH 3.31Å | ||
| 116 | P | 55.4 | Low | 61.1 | Low | 29 Ų | 29 | 56.9 Ų | 56.9 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -25.8 | 178.6 | -26.3 | 33.8 | 0 | 0 | 0 | 114.7 | A114 L118 P120 H386 A389 | A114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-L118 VanDerWaalsContact C-N 3.3Å; P116-L118 PolarHBondContact O-N 3.36Å; P116-P120 WeakPolarHBondContact O-CD 3.47Å; P116-H386 WeakPolarHBondContact CG-CD2 3.37Å; P116-H386 WeakPolarHBondContact CG-NE2 3.47Å; P116-A389 HydrophobicContact CB-CB 3.72Å; P116-A389 WeakPolarHBondContact O-CB 3.34Å |
| 117 | I | 57.7 | Low | 60.9 | Low | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.046 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22 | -179.5 | -57.9 | 164.4 | 0 | 0 | 0 | 112 | N115 R121 A385 K388 E421 | N115-I117 PolarHBondContact O-N 2.89Å; N115-I117 WeakPolarHBondContact OD1-CB 3.4Å; N115-I117 WeakPolarHBondContact OD1-CG1 3.18Å; N115-I117 PolarHBondContact OD1-N 3.44Å; I117-R121 WeakPolarHBondContact O-CB 3.14Å; I117-R121 PolarHBondContact O-N 3.15Å; I117-A385 HydrophobicContact CD1-CB 3.87Å; I117-A385 HydrophobicContact CG1-CB 4.24Å; I117-K388 HydrophobicContact CD1-CD 3.98Å; I117-K388 HydrophobicContact CG1-CD 4.33Å; I117-E421 HydrophobicContact CD1-CG 4.04Å |
| 118 | L | 55 | Low | 61.3 | Low | 44 Ų | 44 | 54.6 Ų | 54.6 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | -175.9 | -76 | 165.1 | 0 | 0 | 0 | 113.1 | N115 P116 R121 K122 L425 T428 | N115-L118 HydrophobicContact CB-CD1 3.87Å; N115-L118 HydrophobicContact CB-CG 4.07Å; N115-L118 WeakPolarHBondContact O-CB 3.09Å; N115-L118 PolarHBondContact O-N 2.86Å; P116-L118 VanDerWaalsContact C-N 3.3Å; P116-L118 PolarHBondContact O-N 3.36Å; L118-R121 PolarHBondContact O-N 3.3Å; L118-K122 PolarHBondContact O-N 2.97Å; L118-L425 HydrophobicContact CD2-CD2 3.7Å; L118-T428 HydrophobicContact CD1-CG2 4.18Å |
| 119 | V | 51.6 | Low | 61.9 | Low | 27 Ų | 27 | 51.7 Ų | 51.7 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -49.2 | -176.8 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | D17 Y18 R121 K122 L123 | D17-V119 HydrophobicContact CB-CG1 4.19Å; D17-V119 HydrophobicContact CB-CG2 4.29Å; D17-V119 WeakPolarHBondContact OD2-CG1 3.44Å; Y18-V119 HydrophobicContact CD1-CG2 4.3Å; V119-R121 VanDerWaalsContact C-N 3.28Å; V119-R121 PolarHBondContact O-N 3.25Å; V119-K122 PolarHBondContact O-N 3.12Å; V119-K122 VanDerWaalsContact O-N 3.17Å; V119-L123 HydrophobicContact CG1-CD1 4.32Å; V119-L123 PolarHBondContact O-N 2.92Å; V119-L123 VanDerWaalsContact O-N 3.17Å |
| 120 | P | 50.9 | Low | 62.4 | Low | 10 Ų | 10 | 54.4 Ų | 54.4 | 7% | 0.065 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.8 | -37.8 | 170.6 | -25.6 | 35 | 0 | 0 | 0 | 113.5 | P116 L123 G124 A125 A389 K392 | P116-P120 WeakPolarHBondContact O-CD 3.47Å; P120-L123 CarbonylContact O-C 3.54Å; P120-L123 PolarHBondContact O-N 2.94Å; P120-G124 PolarHBondContact O-N 3.37Å; P120-A125 HydrophobicContact CB-CB 4.33Å; P120-A125 PolarHBondContact O-N 3.03Å; P120-A389 HydrophobicContact CG-CB 4.32Å; P120-K392 HydrophobicContact CG-CG 4.36Å |
| 121 | R | 52.5 | Low | 62.9 | Low | 102 Ų | 102 | 52 Ų | 52 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 175.7 | -107.3 | -171.9 | 172.8 | 100.2 | -12.2 | 112.9 | I117 L118 V119 L123 G124 E421 | I117-R121 WeakPolarHBondContact O-CB 3.14Å; I117-R121 PolarHBondContact O-N 3.15Å; L118-R121 PolarHBondContact O-N 3.3Å; V119-R121 VanDerWaalsContact C-N 3.28Å; V119-R121 PolarHBondContact O-N 3.25Å; R121-L123 PolarHBondContact O-N 2.88Å; R121-G124 PolarHBondContact O-N 3.45Å; R121-G124 VanDerWaalsContact O-N 3.1Å; R121-E421 IonicContact CZ-OE1 2.96Å; R121-E421 IonicContact NH1-OE1 2.69Å; R121-E421 PolarHBondContact NH1-OE1 3.46Å; R121-E421 IonicContact NH2-OE1 3.57Å |
| 122 | K | 50.7 | Low | 63.5 | Low | 131 Ų | 131 | 55 Ų | 55 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.5 | -29.2 | 173.8 | -79.3 | -165.9 | 173.6 | -166.9 | 0 | 112.2 | I21 L118 V119 G124 | I21-K122 HydrophobicContact CD1-CD 4.28Å; I21-K122 VanDerWaalsContact CD1-NZ 3.33Å; L118-K122 PolarHBondContact O-N 2.97Å; V119-K122 PolarHBondContact O-N 3.12Å; V119-K122 VanDerWaalsContact O-N 3.17Å; K122-G124 VanDerWaalsContact C-N 3.28Å; K122-G124 PolarHBondContact O-N 3.37Å |
| 123 | L | 45.2 | Very low | 64.3 | Low | 110 Ų | 110 | 57 Ų | 57 | 58% | 0.576 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 12.6 | 173.9 | -66.4 | 165.7 | 0 | 0 | 0 | 113.6 | V119 P120 R121 A125 | V119-L123 HydrophobicContact CG1-CD1 4.32Å; V119-L123 PolarHBondContact O-N 2.92Å; V119-L123 VanDerWaalsContact O-N 3.17Å; P120-L123 CarbonylContact O-C 3.54Å; P120-L123 PolarHBondContact O-N 2.94Å; R121-L123 PolarHBondContact O-N 2.88Å; L123-A125 VanDerWaalsContact C-N 3.27Å; L123-A125 PolarHBondContact O-N 2.97Å |
| 124 | G | 47.9 | Very low | 65.5 | Low | 60 Ų | 60 | 56.7 Ų | 56.7 | 62% | 0.619 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -7.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P120 R121 K122 K126 | P120-G124 PolarHBondContact O-N 3.37Å; R121-G124 PolarHBondContact O-N 3.45Å; R121-G124 VanDerWaalsContact O-N 3.1Å; K122-G124 VanDerWaalsContact C-N 3.28Å; K122-G124 PolarHBondContact O-N 3.37Å; G124-K126 PolarHBondContact O-N 2.9Å |
| 125 | A | 56.2 | Low | 66.5 | Low | 3 Ų | 3 | 62.6 Ų | 62.6 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | trans | -74 | 115.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P120 L123 P127 | P120-A125 HydrophobicContact CB-CB 4.33Å; P120-A125 PolarHBondContact O-N 3.03Å; L123-A125 VanDerWaalsContact C-N 3.27Å; L123-A125 PolarHBondContact O-N 2.97Å; A125-P127 WeakPolarHBondContact O-CD 3.25Å | ||
| 126 | K | 67 | Low | 67.2 | Low | 169 Ų | 169 | 63.9 Ų | 63.9 | 74% | 0.735 | 32% | 0.322 | S | S | * | . | trans | -112.9 | 87 | 168 | -70.3 | 177.4 | -176.5 | 169.1 | 0 | 108.7 | G124 | G124-K126 PolarHBondContact O-N 2.9Š| ||
| 127 | P | 73.4 | Confident | 68 | Low | 23 Ų | 23 | 63.5 Ų | 63.5 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | trans | -66.6 | 139.2 | -175.2 | 25.6 | -34.1 | 0 | 0 | 0 | 112.1 | A125 L129 K388 A391 A396 | A125-P127 WeakPolarHBondContact O-CD 3.25Å; P127-L129 PolarHBondContact O-N 3.24Å; P127-K388 HydrophobicContact CG-CG 4.22Å; P127-A391 HydrophobicContact CB-CB 3.6Å; P127-A391 HydrophobicContact CG-CB 4.2Å; P127-A396 CarbonylContact C-O 3.53Å; P127-A396 WeakPolarHBondContact CA-O 3.27Å; P127-A396 VanDerWaalsContact CB-O 3.3Å; P127-A396 WeakPolarHBondContact CB-O 3.27Å | ||
| 128 | R | 81.3 | Confident | 68.3 | Low | 145 Ų | 145 | 69.9 Ų | 69.9 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 107.3 | -179.9 | -60.7 | -179.3 | -178.2 | -158.4 | 2.9 | 108.9 | D395 A396 F398 | R128-D395 IonicContact CZ-OD1 2.73Å; R128-D395 IonicContact NE-OD1 3.61Å; R128-D395 PolarHBondContact NE-OD1 3.34Å; R128-D395 IonicContact NH2-OD1 2.8Å; R128-D395 PolarHBondContact NH2-OD1 2.99Å; R128-A396 PolarHBondContact N-O 3.44Å; R128-F398 PolarHBondContact O-N 2.83Å |
| 129 | L | 85.9 | Confident | 68.5 | Low | 50 Ų | 50 | 75 Ų | 75 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 119.3 | 176 | 173 | 65.2 | 0 | 0 | 0 | 109.6 | P127 F384 F398 I400 L414 L418 | P127-L129 PolarHBondContact O-N 3.24Å; L129-F384 HydrophobicContact CD1-CE2 4.15Å; L129-F384 HydrophobicContact CD2-CE2 4.28Å; L129-F384 HydrophobicContact CD2-CZ 4.19Å; L129-F398 WeakPolarHBondContact CA-O 3.21Å; L129-F398 HydrophobicContact CD1-CD1 3.65Å; L129-F398 HydrophobicContact CD1-CE1 3.97Å; L129-I400 HydrophobicContact CD1-CD1 3.99Å; L129-I400 HydrophobicContact CD1-CG1 4.36Å; L129-L414 HydrophobicContact CD2-CD1 4.36Å; L129-L418 HydrophobicContact CD2-CD2 4.28Å |
| 130 | L | 87.7 | Confident | 69.4 | Low | 65 Ų | 65 | 75.6 Ų | 75.6 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.2 | 177.8 | -60.9 | 174.5 | 0 | 0 | 0 | 109.4 | W264 F398 V399 I400 | L130-W264 HydrophobicContact CD1-CH2 3.8Å; L130-W264 HydrophobicContact CD1-CZ2 4.4Å; L130-W264 HydrophobicContact CD1-CZ3 4.49Å; L130-F398 PolarHBondContact N-O 3.43Å; L130-V399 HydrophobicContact CB-CG2 4.38Å; L130-V399 HydrophobicContact CD1-CG2 4.37Å; L130-V399 CarbonylContact O-C 3.52Å; L130-V399 WeakPolarHBondContact O-CA 3.48Å; L130-I400 PolarHBondContact O-N 3.1Å |
| 131 | V | 86.9 | Confident | 70.4 | Confident | 60 Ų | 60 | 82.5 Ų | 82.5 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.9 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | I400 L402 L414 | V131-I400 HydrophobicContact CG2-CB 4.49Å; V131-L402 HydrophobicContact CG1-CB 4.45Å; V131-L402 HydrophobicContact CG1-CD2 4.07Å; V131-L414 HydrophobicContact CG2-CD2 3.76Å |
| 132 | K | 85.9 | Confident | 71.9 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 30% | 0.3 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 115.3 | -174.2 | 175.1 | 62.8 | 171.5 | 173.1 | 0 | 109.1 | C134 E260 V399 I400 L401 L402 | K132-C134 PolarHBondContact O-N 2.75Å; K132-E260 WeakPolarHBondContact CE-OE1 3.34Å; K132-E260 WeakPolarHBondContact CE-OE2 3.48Å; K132-E260 VanDerWaalsContact NZ-CD 3.31Å; K132-E260 IonicContact NZ-OE1 2.61Å; K132-E260 PolarHBondContact NZ-OE1 3.07Å; K132-E260 IonicContact NZ-OE2 3.5Å; K132-E260 PolarHBondContact NZ-OE2 2.85Å; K132-V399 HydrophobicContact CB-CG1 4.46Å; K132-I400 PolarHBondContact N-O 2.94Å; K132-L401 HydrophobicContact CB-CD2 4.11Å; K132-L401 HydrophobicContact CG-CD2 4.23Å; K132-L402 PolarHBondContact O-N 2.92Å |
| 133 | V | 85.6 | Confident | 73.3 | Confident | 51 Ų | 51 | 73 Ų | 73 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 116.6 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | L402 Q407 | V133-L402 CarbonylContact C-O 3.47Å; V133-L402 WeakPolarHBondContact CA-O 3.23Å; V133-Q407 HydrophobicContact CG2-CG 4.18Å |
| 134 | C | 84 | Confident | 75 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 153.3 | 175.3 | -55.2 | 0 | 0 | 0 | 0 | 109.8 | K132 R257 E260 L402 S404 | K132-C134 PolarHBondContact O-N 2.75Å; C134-R257 HydrophobicContact CB-CG 3.9Å; C134-E260 HydrophobicContact CB-CG 4.45Å; C134-L402 WeakPolarHBondContact CB-O 3.44Å; C134-L402 PolarHBondContact N-O 3.21Å; C134-S404 PolarHBondContact O-N 3.22Å; C134-S404 PolarHBondContact O-OG 3.45Å |
| 135 | Q | 78.1 | Confident | 76.7 | Confident | 147 Ų | 147 | 70.9 Ų | 70.9 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 148.4 | 176.3 | -62.4 | 179.8 | -1.9 | 0 | 0 | 111.5 | ||
| 136 | N | 73.3 | Confident | 78.1 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 19% | 0.193 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 132.9 | 174.4 | -75.6 | -14.7 | 0 | 0 | 0 | 110.8 | E138 N139 S404 K405 | N136-E138 PolarHBondContact O-N 3.41Å; N136-N139 PolarHBondContact O-N 2.96Å; N136-S404 WeakPolarHBondContact OD1-CB 3.25Å; N136-S404 PolarHBondContact OD1-N 2.9Å; N136-S404 VanDerWaalsContact OD1-N 3.07Å; N136-K405 PolarHBondContact OD1-N 2.94Å |
| 137 | D | 70.9 | Confident | 79 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -69.7 | -15.4 | -175.2 | -46 | -69.7 | 0 | 0 | 0 | 114 | N139 I140 W142 T255 G256 Q403 | D137-N139 PolarHBondContact O-N 3.19Å; D137-I140 HydrophobicContact CB-CD1 4.34Å; D137-I140 PolarHBondContact O-N 3.36Å; D137-W142 HydrophobicContact CB-CH2 3.95Å; D137-W142 HydrophobicContact CB-CZ2 4.3Å; D137-T255 VanDerWaalsContact OD1-CA 3.31Å; D137-T255 WeakPolarHBondContact OD1-CA 3.32Å; D137-T255 WeakPolarHBondContact OD1-CB 3.38Å; D137-T255 WeakPolarHBondContact OD1-CG2 3.27Å; D137-G256 PolarHBondContact OD1-N 2.88Å; D137-Q403 PolarHBondContact OD2-NE2 3.4Å |
| 138 | E | 64.7 | Low | 79.6 | Confident | 142 Ų | 142 | 68.7 Ų | 68.7 | 66% | 0.664 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -66.8 | -19.8 | 177.7 | -70.8 | 162.7 | -148.1 | 0 | 0 | 113.5 | N136 | N136-E138 PolarHBondContact O-N 3.41Š|
| 139 | N | 59.4 | Low | 80 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 81% | 0.807 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -92.9 | 8.7 | -179 | -73.9 | -14 | 0 | 0 | 0 | 114 | N136 D137 | N136-N139 PolarHBondContact O-N 2.96Å; D137-N139 PolarHBondContact O-N 3.19Å |
| 140 | I | 69.4 | Low | 80 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.205 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -105 | 144.1 | -172.2 | -40.7 | 174.9 | 0 | 0 | 0 | 111.1 | D137 W142 A143 | D137-I140 HydrophobicContact CB-CD1 4.34Å; D137-I140 PolarHBondContact O-N 3.36Å; I140-W142 HydrophobicContact CD1-CZ2 3.95Å; I140-W142 VanDerWaalsContact CG2-CD1 3.43Å; I140-W142 HydrophobicContact CG2-CG 4.37Å; I140-W142 VanDerWaalsContact CG2-NE1 3.31Å; I140-W142 PolarHBondContact O-N 3.09Å; I140-A143 WeakPolarHBondContact O-CB 3.49Å; I140-A143 PolarHBondContact O-N 3.48Å |
| 141 | E | 73.6 | Confident | 80.1 | Confident | 156 Ų | 156 | 69.1 Ų | 69.1 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -25.7 | -174.7 | -59.7 | 179.5 | 149.7 | 0 | 0 | 114.9 | P144 | E141-P144 WeakPolarHBondContact O-CD 3.34Š|
| 142 | W | 82.9 | Confident | 80.2 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 4% | 0.038 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -10.1 | -179 | 54.7 | -99.5 | 0 | 0 | 0 | 115.8 | D137 I140 P144 F145 A146 P193 R252 T255 | D137-W142 HydrophobicContact CB-CH2 3.95Å; D137-W142 HydrophobicContact CB-CZ2 4.3Å; I140-W142 HydrophobicContact CD1-CZ2 3.95Å; I140-W142 VanDerWaalsContact CG2-CD1 3.43Å; I140-W142 HydrophobicContact CG2-CG 4.37Å; I140-W142 VanDerWaalsContact CG2-NE1 3.31Å; I140-W142 PolarHBondContact O-N 3.09Å; W142-P144 VanDerWaalsContact C-N 3.3Å; W142-F145 VanDerWaalsContact CA-CE1 3.46Å; W142-F145 HydrophobicContact CB-CD1 4.15Å; W142-F145 HydrophobicContact CB-CE1 3.39Å; W142-F145 HydrophobicContact CB-CE2 4.04Å; W142-F145 HydrophobicContact CB-CZ 3.33Å; W142-F145 PolarHBondContact O-N 3.33Å; W142-A146 HydrophobicContact CE3-CB 3.56Å; W142-A146 HydrophobicContact CZ3-CB 3.89Å; W142-A146 WeakPolarHBondContact O-CB 3.49Å; W142-A146 PolarHBondContact O-N 2.73Å; W142-P193 HydrophobicContact CB-CG 3.95Å; W142-P193 HydrophobicContact CD2-CG 3.46Å; W142-P193 VanDerWaalsContact CD2-CG 3.46Å; W142-P193 HydrophobicContact CE3-CG 3.56Å; W142-P193 HydrophobicContact CG-CG 3.68Å; W142-P193 HydrophobicContact CZ3-CG 4.18Å; W142-R252 PolarHBondContact NE1-O 3.45Å; W142-T255 HydrophobicContact CH2-CG2 4.11Å; W142-T255 HydrophobicContact CZ2-CG2 4.33Å |
| 143 | A | 79.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.2 | -36.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I140 S147 | I140-A143 WeakPolarHBondContact O-CB 3.49Å; I140-A143 PolarHBondContact O-N 3.48Å; A143-S147 WeakPolarHBondContact O-CB 3.4Å; A143-S147 PolarHBondContact O-N 3.06Å; A143-S147 PolarHBondContact O-OG 2.91Å |
| 144 | P | 81.6 | Confident | 80.4 | Confident | 97 Ų | 97 | 66.3 Ų | 66.3 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.9 | -49.4 | 176.5 | -22.9 | 35.2 | 0 | 0 | 0 | 113.5 | E141 W142 S147 L148 | E141-P144 WeakPolarHBondContact O-CD 3.34Å; W142-P144 VanDerWaalsContact C-N 3.3Å; P144-S147 WeakPolarHBondContact O-CB 3.45Å; P144-S147 PolarHBondContact O-N 2.83Å; P144-L148 PolarHBondContact O-N 2.85Å; P144-L148 VanDerWaalsContact O-N 3.11Å |
| 145 | F | 84.7 | Confident | 80.5 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 13% | 0.132 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -76.2 | -30.8 | -177.8 | 73 | -110 | 0 | 0 | 0 | 112.4 | W142 S147 L148 V149 P193 L237 H240 F253 | W142-F145 VanDerWaalsContact CA-CE1 3.46Å; W142-F145 HydrophobicContact CB-CD1 4.15Å; W142-F145 HydrophobicContact CB-CE1 3.39Å; W142-F145 HydrophobicContact CB-CE2 4.04Å; W142-F145 HydrophobicContact CB-CZ 3.33Å; W142-F145 PolarHBondContact O-N 3.33Å; F145-S147 VanDerWaalsContact C-N 3.28Å; F145-S147 PolarHBondContact O-N 2.95Å; F145-L148 WeakPolarHBondContact O-CB 3.28Å; F145-L148 PolarHBondContact O-N 3.03Å; F145-V149 WeakPolarHBondContact O-CG2 3.32Å; F145-V149 PolarHBondContact O-N 3.13Å; F145-P193 HydrophobicContact CE2-CB 4.08Å; F145-P193 HydrophobicContact CE2-CG 4.15Å; F145-P193 HydrophobicContact CZ-CB 4.42Å; F145-P193 HydrophobicContact CZ-CG 4.39Å; F145-L237 HydrophobicContact CD2-CD2 4.16Å; F145-L237 HydrophobicContact CE2-CD2 3.84Å; F145-H240 AromaticContact CD1-CD2 3.87Å; F145-H240 AromaticContact CD1-CE1 3.78Å; F145-H240 AromaticContact CD1-NE2 3.69Å; F145-H240 HydrophobicContact CE1-CB 4.05Å; F145-H240 AromaticContact CE1-CD2 3.48Å; F145-H240 VanDerWaalsContact CE1-CD2 3.48Å; F145-H240 WeakPolarHBondContact CE1-CD2 3.1Å; F145-H240 AromaticContact CE1-CG 3.57Å; F145-H240 AromaticContact CE1-ND1 3.94Å; F145-H240 AromaticContact CE1-NE2 3.82Å; F145-H240 HydrophobicContact CE2-CB 4.38Å; F145-H240 HydrophobicContact CZ-CB 3.74Å; F145-H240 AromaticContact CZ-CG 3.71Å; F145-F253 HydrophobicContact CZ-CD1 4.36Å; F145-F253 HydrophobicContact CZ-CE1 4.29Å |
| 146 | A | 84.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W142 V149 R150 L188 | W142-A146 HydrophobicContact CE3-CB 3.56Å; W142-A146 HydrophobicContact CZ3-CB 3.89Å; W142-A146 WeakPolarHBondContact O-CB 3.49Å; W142-A146 PolarHBondContact O-N 2.73Å; A146-V149 PolarHBondContact O-N 2.86Å; A146-R150 WeakPolarHBondContact O-CB 3.47Å; A146-R150 PolarHBondContact O-N 3.25Å; A146-L188 HydrophobicContact CB-CD1 3.96Å; A146-L188 HydrophobicContact CB-CD2 4.12Å; A146-L188 HydrophobicContact CB-CG 4.25Å |
| 147 | S | 85.8 | Confident | 81.4 | Confident | 56 Ų | 56 | 59.8 Ų | 59.8 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.1 | -35.7 | 174.4 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | A143 P144 F145 R150 Y151 | A143-S147 WeakPolarHBondContact O-CB 3.4Å; A143-S147 PolarHBondContact O-N 3.06Å; A143-S147 PolarHBondContact O-OG 2.91Å; P144-S147 WeakPolarHBondContact O-CB 3.45Å; P144-S147 PolarHBondContact O-N 2.83Å; F145-S147 VanDerWaalsContact C-N 3.28Å; F145-S147 PolarHBondContact O-N 2.95Å; S147-R150 PolarHBondContact O-N 2.99Å; S147-Y151 WeakPolarHBondContact O-CB 3.4Å; S147-Y151 PolarHBondContact O-N 2.95Å |
| 148 | L | 87.4 | Confident | 82.1 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 48% | 0.482 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 171.7 | -178.6 | 64.5 | 0 | 0 | 0 | 112 | P144 F145 Y151 L152 L236 | P144-L148 PolarHBondContact O-N 2.85Å; P144-L148 VanDerWaalsContact O-N 3.11Å; F145-L148 WeakPolarHBondContact O-CB 3.28Å; F145-L148 PolarHBondContact O-N 3.03Å; L148-Y151 PolarHBondContact O-N 3.42Å; L148-L152 WeakPolarHBondContact O-CB 3.25Å; L148-L152 PolarHBondContact O-N 2.85Å; L148-L236 HydrophobicContact CD2-CD1 4.12Å; L148-L236 HydrophobicContact CD2-CD2 4.03Å; L148-L236 HydrophobicContact CG-CD1 4.17Å |
| 149 | V | 88.1 | Confident | 83 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 111 | F145 A146 Y151 L152 V153 L188 A233 L236 L237 | F145-V149 WeakPolarHBondContact O-CG2 3.32Å; F145-V149 PolarHBondContact O-N 3.13Å; A146-V149 PolarHBondContact O-N 2.86Å; V149-Y151 PolarHBondContact O-N 3.02Å; V149-L152 PolarHBondContact O-N 3.3Å; V149-V153 HydrophobicContact CG1-CG2 4.28Å; V149-V153 WeakPolarHBondContact O-CB 3Å; V149-V153 WeakPolarHBondContact O-CG2 3.44Å; V149-V153 PolarHBondContact O-N 2.94Å; V149-L188 HydrophobicContact CB-CD2 4.24Å; V149-L188 HydrophobicContact CG1-CD2 4.02Å; V149-A233 HydrophobicContact CG1-CB 4.08Å; V149-L236 HydrophobicContact CG2-CB 3.78Å; V149-L236 HydrophobicContact CG2-CD1 3.92Å; V149-L237 HydrophobicContact CG2-CD2 4.24Å; V149-L237 HydrophobicContact CG2-CG 4.25Å |
| 150 | R | 87.2 | Confident | 84 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 30% | 0.302 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.5 | -168.2 | -173 | -60.8 | 115.7 | -2.8 | 111.4 | A146 S147 L154 V185 D189 | A146-R150 WeakPolarHBondContact O-CB 3.47Å; A146-R150 PolarHBondContact O-N 3.25Å; S147-R150 PolarHBondContact O-N 2.99Å; R150-L154 HydrophobicContact CG-CD1 3.77Å; R150-L154 HydrophobicContact CG-CG 4.25Å; R150-L154 VanDerWaalsContact O-CB 3.28Å; R150-L154 WeakPolarHBondContact O-CB 3.36Å; R150-L154 VanDerWaalsContact O-CG 3.29Å; R150-L154 WeakPolarHBondContact O-CG 3.32Å; R150-L154 PolarHBondContact O-N 3.28Å; R150-V185 HydrophobicContact CG-CG1 3.97Å; R150-D189 IonicContact CZ-OD1 3.93Å; R150-D189 VanDerWaalsContact CZ-OD1 3.28Å; R150-D189 IonicContact NE-OD1 3.84Å; R150-D189 PolarHBondContact NE-OD1 3.35Å; R150-D189 IonicContact NE-OD2 2.73Å; R150-D189 PolarHBondContact NE-OD2 3.18Å; R150-D189 IonicContact NH2-OD1 3.39Å; R150-D189 PolarHBondContact NH2-OD1 2.9Å |
| 151 | Y | 88.7 | Confident | 84.5 | Confident | 188 Ų | 188 | 60.3 Ų | 60.3 | 74% | 0.737 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62 | -47.9 | 177.5 | -178.7 | -98.7 | 0 | 0 | 0 | 112.1 | S147 L148 V149 V153 G155 | S147-Y151 WeakPolarHBondContact O-CB 3.4Å; S147-Y151 PolarHBondContact O-N 2.95Å; L148-Y151 PolarHBondContact O-N 3.42Å; V149-Y151 PolarHBondContact O-N 3.02Å; Y151-V153 PolarHBondContact O-N 2.95Å; Y151-G155 PolarHBondContact O-N 3.19Å |
| 152 | L | 89.2 | Confident | 84.8 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 178 | 179.9 | 67.2 | 0 | 0 | 0 | 112.1 | L148 V149 A156 Y229 A232 A233 L236 | L148-L152 WeakPolarHBondContact O-CB 3.25Å; L148-L152 PolarHBondContact O-N 2.85Å; V149-L152 PolarHBondContact O-N 3.3Å; L152-A156 PolarHBondContact O-N 3.27Å; L152-Y229 HydrophobicContact CD1-CD1 3.73Å; L152-Y229 HydrophobicContact CD1-CE1 3.76Å; L152-Y229 HydrophobicContact CG-CD1 4.03Å; L152-A232 HydrophobicContact CD2-CB 3.95Å; L152-A233 HydrophobicContact CD2-CB 4.43Å; L152-L236 HydrophobicContact CD2-CD1 3.99Å |
| 153 | V | 88 | Confident | 84.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.7 | -38.7 | -175.1 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | V149 Y151 A156 V157 L181 V185 A233 | V149-V153 HydrophobicContact CG1-CG2 4.28Å; V149-V153 WeakPolarHBondContact O-CB 3Å; V149-V153 WeakPolarHBondContact O-CG2 3.44Å; V149-V153 PolarHBondContact O-N 2.94Å; Y151-V153 PolarHBondContact O-N 2.95Å; V153-A156 PolarHBondContact O-N 2.98Å; V153-V157 WeakPolarHBondContact O-CG2 3.32Å; V153-V157 PolarHBondContact O-N 2.89Å; V153-L181 HydrophobicContact CG1-CB 3.81Å; V153-L181 HydrophobicContact CG1-CD2 4.03Å; V153-L181 VanDerWaalsContact CG1-O 3.28Å; V153-L181 WeakPolarHBondContact CG1-O 3.49Å; V153-V185 HydrophobicContact CB-CG2 3.94Å; V153-V185 HydrophobicContact CG1-CG2 3.63Å; V153-A233 HydrophobicContact CG2-CB 3.87Å |
| 154 | L | 87.5 | Confident | 83.2 | Confident | 76 Ų | 76 | 68 Ų | 68 | 40% | 0.398 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.7 | -35 | 175.5 | -69.2 | -179 | 0 | 0 | 0 | 112.4 | R150 A156 V157 E158 V185 | R150-L154 HydrophobicContact CG-CD1 3.77Å; R150-L154 HydrophobicContact CG-CG 4.25Å; R150-L154 VanDerWaalsContact O-CB 3.28Å; R150-L154 WeakPolarHBondContact O-CB 3.36Å; R150-L154 VanDerWaalsContact O-CG 3.29Å; R150-L154 WeakPolarHBondContact O-CG 3.32Å; R150-L154 PolarHBondContact O-N 3.28Å; L154-A156 VanDerWaalsContact C-N 3.33Å; L154-A156 PolarHBondContact O-N 2.87Å; L154-V157 PolarHBondContact O-N 3.39Å; L154-E158 PolarHBondContact O-N 3.18Å; L154-V185 HydrophobicContact CD2-CG1 4.44Å; L154-V185 HydrophobicContact CD2-CG2 4.11Å; L154-V185 HydrophobicContact CG-CG2 4.24Å |
| 155 | G | 85.9 | Confident | 82.1 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y151 E158 W159 | Y151-G155 PolarHBondContact O-N 3.19Å; G155-E158 PolarHBondContact O-N 3.31Å; G155-W159 WeakPolarHBondContact O-CB 3.06Å; G155-W159 PolarHBondContact O-N 3.44Å |
| 156 | A | 85.7 | Confident | 80.5 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L152 V153 L154 E158 W159 T160 L181 Y229 | L152-A156 PolarHBondContact O-N 3.27Å; V153-A156 PolarHBondContact O-N 2.98Å; L154-A156 VanDerWaalsContact C-N 3.33Å; L154-A156 PolarHBondContact O-N 2.87Å; A156-E158 PolarHBondContact O-N 2.57Å; A156-W159 PolarHBondContact O-N 3.01Å; A156-T160 WeakPolarHBondContact O-CB 3.45Å; A156-T160 PolarHBondContact O-N 3.18Å; A156-T160 PolarHBondContact O-OG1 3.21Å; A156-L181 HydrophobicContact CB-CD1 3.9Å; A156-Y229 HydrophobicContact CB-CD1 3.82Å; A156-Y229 HydrophobicContact CB-CD2 3.58Å; A156-Y229 HydrophobicContact CB-CE1 4.04Å; A156-Y229 HydrophobicContact CB-CE2 3.81Å; A156-Y229 HydrophobicContact CB-CG 3.59Å |
| 157 | V | 86.1 | Confident | 78.9 | Confident | 6 Ų | 6 | 75.2 Ų | 75.2 | 4% | 0.036 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 175.6 | 168 | 0 | 0 | 0 | 0 | 112 | V153 L154 K161 V178 L181 | V153-V157 WeakPolarHBondContact O-CG2 3.32Å; V153-V157 PolarHBondContact O-N 2.89Å; L154-V157 PolarHBondContact O-N 3.39Å; V157-K161 HydrophobicContact CG1-CD 4.07Å; V157-K161 VanDerWaalsContact O-CG 3.32Å; V157-K161 WeakPolarHBondContact O-CG 3.32Å; V157-K161 PolarHBondContact O-N 2.89Å; V157-K161 VanDerWaalsContact O-N 3.08Å; V157-V178 HydrophobicContact CG1-CG1 4.25Å; V157-L181 HydrophobicContact CG2-CB 3.4Å; V157-L181 HydrophobicContact CG2-CD1 3.96Å; V157-L181 HydrophobicContact CG2-CG 4.34Å |
| 158 | E | 85 | Confident | 77.1 | Confident | 108 Ų | 108 | 79.3 Ų | 79.3 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.6 | -38.1 | -179.8 | -166 | 179.8 | 160.3 | 0 | 0 | 112.1 | L154 G155 A156 R162 | L154-E158 PolarHBondContact O-N 3.18Å; G155-E158 PolarHBondContact O-N 3.31Å; A156-E158 PolarHBondContact O-N 2.57Å; E158-R162 WeakPolarHBondContact O-CD 3.31Å; E158-R162 WeakPolarHBondContact O-CG 3.21Å; E158-R162 IonicContact OE1-CZ 2.65Å; E158-R162 IonicContact OE1-NE 2.67Å; E158-R162 IonicContact OE1-NH2 2.94Å; E158-R162 PolarHBondContact OE1-NH2 3.02Å |
| 159 | W | 82.8 | Confident | 75.3 | Confident | 113 Ų | 113 | 80.3 Ų | 80.3 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 171.3 | -174.9 | 87.1 | 0 | 0 | 0 | 110.8 | G155 A156 K161 R162 L163 L222 M225 | G155-W159 WeakPolarHBondContact O-CB 3.06Å; G155-W159 PolarHBondContact O-N 3.44Å; A156-W159 PolarHBondContact O-N 3.01Å; W159-K161 VanDerWaalsContact C-N 3.33Å; W159-K161 PolarHBondContact O-N 3.42Å; W159-R162 WeakPolarHBondContact O-CB 3.27Å; W159-R162 PolarHBondContact O-N 3.16Å; W159-L163 HydrophobicContact CD2-CD1 3.74Å; W159-L163 HydrophobicContact CE3-CD1 3.42Å; W159-L163 VanDerWaalsContact CE3-CD1 3.42Å; W159-L163 HydrophobicContact CH2-CD1 3.55Å; W159-L163 HydrophobicContact CH2-CD2 3.96Å; W159-L163 HydrophobicContact CH2-CG 4.39Å; W159-L163 HydrophobicContact CZ2-CD1 3.85Å; W159-L163 HydrophobicContact CZ2-CD2 4.44Å; W159-L163 HydrophobicContact CZ3-CD1 3.32Å; W159-L163 HydrophobicContact CZ3-CD2 4.34Å; W159-L163 HydrophobicContact CZ3-CG 4.48Å; W159-L163 WeakPolarHBondContact O-CD1 3.47Å; W159-L222 HydrophobicContact CZ3-CD1 4.21Å; W159-M225 HydrophobicContact CD2-CE 3.71Å; W159-M225 HydrophobicContact CE3-CE 3.43Å; W159-M225 VanDerWaalsContact CE3-CE 3.43Å; W159-M225 HydrophobicContact CE3-SD 3.97Å; W159-M225 HydrophobicContact CH2-CE 3.64Å; W159-M225 HydrophobicContact CH2-SD 3.44Å; W159-M225 WeakPolarHBondContact CH2-SD 3.25Å; W159-M225 HydrophobicContact CZ2-CE 3.9Å; W159-M225 HydrophobicContact CZ2-SD 4.21Å; W159-M225 HydrophobicContact CZ3-CE 3.4Å; W159-M225 HydrophobicContact CZ3-SD 3.29Å; W159-M225 WeakPolarHBondContact CZ3-SD 3.32Å |
| 160 | T | 82 | Confident | 73.6 | Confident | 2 Ų | 2 | 88.6 Ų | 88.6 | 1% | 0.012 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.1 | -44.6 | 180 | -50.9 | 0 | 0 | 0 | 0 | 112.4 | A156 R162 L163 M177 V178 | A156-T160 WeakPolarHBondContact O-CB 3.45Å; A156-T160 PolarHBondContact O-N 3.18Å; A156-T160 PolarHBondContact O-OG1 3.21Å; T160-R162 PolarHBondContact O-N 3.3Å; T160-L163 PolarHBondContact O-N 2.67Å; T160-M177 HydrophobicContact CG2-CE 3.36Å; T160-M177 WeakPolarHBondContact OG1-CE 3.2Å; T160-V178 HydrophobicContact CG2-CG2 3.64Å |
| 161 | K | 79.8 | Confident | 72.1 | Confident | 143 Ų | 143 | 88.6 Ų | 88.6 | 62% | 0.622 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -7.9 | 177.9 | -75 | 173.8 | 178.7 | 175 | 0 | 114.5 | V157 W159 V178 | V157-K161 HydrophobicContact CG1-CD 4.07Å; V157-K161 VanDerWaalsContact O-CG 3.32Å; V157-K161 WeakPolarHBondContact O-CG 3.32Å; V157-K161 PolarHBondContact O-N 2.89Å; V157-K161 VanDerWaalsContact O-N 3.08Å; W159-K161 VanDerWaalsContact C-N 3.33Å; W159-K161 PolarHBondContact O-N 3.42Å; K161-V178 HydrophobicContact CG-CG2 4.02Å |
| 162 | R | 79 | Confident | 71.1 | Confident | 185 Ų | 185 | 83.2 Ų | 83.2 | 70% | 0.698 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -8.7 | 174.4 | -61.5 | 164.3 | -178.2 | -143.5 | -5.2 | 112.7 | E158 W159 T160 | E158-R162 WeakPolarHBondContact O-CD 3.31Å; E158-R162 WeakPolarHBondContact O-CG 3.21Å; E158-R162 IonicContact OE1-CZ 2.65Å; E158-R162 IonicContact OE1-NE 2.67Å; E158-R162 IonicContact OE1-NH2 2.94Å; E158-R162 PolarHBondContact OE1-NH2 3.02Å; W159-R162 WeakPolarHBondContact O-CB 3.27Å; W159-R162 PolarHBondContact O-N 3.16Å; T160-R162 PolarHBondContact O-N 3.3Å |
| 163 | L | 71.5 | Confident | 70.3 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 29% | 0.293 | 44% | 0.438 | S | S | . | . | trans | -88.6 | 115.5 | 171.5 | -71.1 | 99.4 | 0 | 0 | 0 | 110.8 | W159 T160 L165 | W159-L163 HydrophobicContact CD2-CD1 3.74Å; W159-L163 HydrophobicContact CE3-CD1 3.42Å; W159-L163 VanDerWaalsContact CE3-CD1 3.42Å; W159-L163 HydrophobicContact CH2-CD1 3.55Å; W159-L163 HydrophobicContact CH2-CD2 3.96Å; W159-L163 HydrophobicContact CH2-CG 4.39Å; W159-L163 HydrophobicContact CZ2-CD1 3.85Å; W159-L163 HydrophobicContact CZ2-CD2 4.44Å; W159-L163 HydrophobicContact CZ3-CD1 3.32Å; W159-L163 HydrophobicContact CZ3-CD2 4.34Å; W159-L163 HydrophobicContact CZ3-CG 4.48Å; W159-L163 WeakPolarHBondContact O-CD1 3.47Å; T160-L163 PolarHBondContact O-N 2.67Å; L163-L165 VanDerWaalsContact C-N 3.3Å; L163-L165 HydrophobicContact CB-CD1 4.29Å; L163-L165 HydrophobicContact CB-CG 4.46Å; L163-L165 HydrophobicContact CD2-CD1 3.95Å; L163-L165 PolarHBondContact O-N 3.02Å | ||
| 164 | S | 57.2 | Low | 69.7 | Low | 109 Ų | 109 | 82.7 Ų | 82.7 | 76% | 0.762 | 45% | 0.446 | S | S | * | . | trans | -89.6 | 59.9 | 173.1 | -172 | 0 | 0 | 0 | 0 | 111 | S166 | S164-S166 PolarHBondContact O-N 2.66Š| ||
| 165 | L | 59.4 | Low | 69.2 | Low | 84 Ų | 84 | 84.9 Ų | 84.9 | 44% | 0.44 | 45% | 0.452 | S | S | . | . | trans | -78 | 64.5 | 174.4 | -78.6 | 162.2 | 0 | 0 | 0 | 110.4 | L163 T174 A218 L222 | L163-L165 VanDerWaalsContact C-N 3.3Å; L163-L165 HydrophobicContact CB-CD1 4.29Å; L163-L165 HydrophobicContact CB-CG 4.46Å; L163-L165 HydrophobicContact CD2-CD1 3.95Å; L163-L165 PolarHBondContact O-N 3.02Å; L165-T174 HydrophobicContact CB-CG2 4.1Å; L165-A218 HydrophobicContact CD2-CB 4.42Å; L165-L222 HydrophobicContact CD1-CD2 4.26Å | ||
| 166 | S | 51 | Low | 68.7 | Low | 89 Ų | 89 | 85.3 Ų | 85.3 | 62% | 0.622 | 45% | 0.448 | S | S | * | . | trans | -152 | 95.5 | -172.7 | 62.8 | 0 | 0 | 0 | 0 | 113 | S164 | S164-S166 PolarHBondContact O-N 2.66Š| ||
| 167 | S | 49.7 | Very low | 68.5 | Low | 105 Ų | 105 | 85.4 Ų | 85.4 | 73% | 0.734 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -145.9 | -44.7 | 161.9 | 43.9 | 0 | 0 | 0 | 0 | 112 | ||
| 168 | D | 47.6 | Very low | 68.5 | Low | 143 Ų | 143 | 86.2 Ų | 86.2 | 77% | 0.765 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -129 | 26.8 | -161.3 | -46.9 | -75.3 | 0 | 0 | 0 | 115.6 | ||
| 169 | L | 49.9 | Very low | 68.3 | Low | 112 Ų | 112 | 85.3 Ų | 85.3 | 59% | 0.586 | 45% | 0.449 | S | S | * | . | trans | -141.2 | 132.9 | -175.9 | -72 | 164.5 | 0 | 0 | 0 | 112.7 | V171 Q219 | L169-V171 PolarHBondContact O-N 2.89Å; L169-Q219 HydrophobicContact CD1-CG 4.36Å | ||
| 170 | D | 51.8 | Low | 68.4 | Low | 176 Ų | 176 | 80.1 Ų | 80.1 | 94% | 0.941 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -69.6 | -22.5 | -175.1 | -76.6 | -51.9 | 0 | 0 | 0 | 115.3 | ||
| 171 | V | 57 | Low | 68.6 | Low | 80 Ų | 80 | 80 Ų | 80 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -114.9 | 102.9 | -176.1 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | L169 C173 | L169-V171 PolarHBondContact O-N 2.89Å; V171-C173 PolarHBondContact O-N 2.63Å; V171-C173 PolarHBondContact O-SG 3.26Å; V171-C173 VanDerWaalsContact O-SG 3.33Å |
| 172 | D | 67.4 | Low | 69.1 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | trans | -67.3 | 88.6 | 173.7 | 177.6 | 5.6 | 0 | 0 | 0 | 111.8 | T174 K175 C176 | D172-T174 PolarHBondContact O-N 3.44Å; D172-T174 WeakPolarHBondContact OD1-CA 3.3Å; D172-T174 VanDerWaalsContact OD1-CB 3.31Å; D172-T174 WeakPolarHBondContact OD1-CB 3.34Å; D172-T174 PolarHBondContact OD1-N 2.82Å; D172-T174 PolarHBondContact OD1-OG1 2.83Å; D172-K175 HydrophobicContact CB-CB 4.33Å; D172-K175 PolarHBondContact O-N 3.49Å; D172-K175 PolarHBondContact OD1-N 3.46Å; D172-K175 WeakPolarHBondContact OD2-CB 3.22Å; D172-C176 PolarHBondContact O-N 2.92Å | ||
| 173 | C | 71.5 | Confident | 69.5 | Low | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.054 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.6 | -25.1 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | V171 C176 M177 L222 | V171-C173 PolarHBondContact O-N 2.63Å; V171-C173 PolarHBondContact O-SG 3.26Å; V171-C173 VanDerWaalsContact O-SG 3.33Å; C173-C176 PolarHBondContact O-N 2.78Å; C173-M177 PolarHBondContact O-N 3.45Å; C173-M177 VanDerWaalsContact O-N 3.07Å; C173-L222 HydrophobicContact CB-CD2 4.11Å |
| 174 | T | 76.2 | Confident | 70.3 | Confident | 26 Ų | 26 | 66 Ų | 66 | 16% | 0.16 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 179.1 | 81.7 | 0 | 0 | 0 | 0 | 110.5 | L165 D172 M177 V178 L222 | L165-T174 HydrophobicContact CB-CG2 4.1Å; D172-T174 PolarHBondContact O-N 3.44Å; D172-T174 WeakPolarHBondContact OD1-CA 3.3Å; D172-T174 VanDerWaalsContact OD1-CB 3.31Å; D172-T174 WeakPolarHBondContact OD1-CB 3.34Å; D172-T174 PolarHBondContact OD1-N 2.82Å; D172-T174 PolarHBondContact OD1-OG1 2.83Å; T174-M177 PolarHBondContact O-N 3.07Å; T174-V178 WeakPolarHBondContact O-CB 3.4Å; T174-V178 VanDerWaalsContact O-CG2 3.3Å; T174-V178 WeakPolarHBondContact O-CG2 3.46Å; T174-V178 PolarHBondContact O-N 2.83Å; T174-L222 HydrophobicContact CG2-CD2 3.92Å |
| 175 | K | 77.2 | Confident | 71.9 | Confident | 123 Ų | 123 | 61.4 Ų | 61.4 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.4 | 174.8 | -174.1 | 174.8 | -165.2 | 0 | 111.8 | D172 M177 V178 E179 | D172-K175 HydrophobicContact CB-CB 4.33Å; D172-K175 PolarHBondContact O-N 3.49Å; D172-K175 PolarHBondContact OD1-N 3.46Å; D172-K175 WeakPolarHBondContact OD2-CB 3.22Å; K175-M177 VanDerWaalsContact C-N 3.31Å; K175-M177 PolarHBondContact O-N 3.02Å; K175-V178 PolarHBondContact O-N 2.79Å; K175-E179 WeakPolarHBondContact O-CB 3.46Å; K175-E179 WeakPolarHBondContact O-CG 3.49Å; K175-E179 PolarHBondContact O-N 3.36Å |
| 176 | C | 75.9 | Confident | 73.1 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 32% | 0.324 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.6 | -46 | 177.1 | -69.5 | 0 | 0 | 0 | 0 | 111.8 | D172 C173 A180 L210 | D172-C176 PolarHBondContact O-N 2.92Å; C173-C176 PolarHBondContact O-N 2.78Å; C176-A180 WeakPolarHBondContact O-CB 3.29Å; C176-A180 PolarHBondContact O-N 2.73Å; C176-L210 HydrophobicContact CB-CD1 4.48Å |
| 177 | M | 81.2 | Confident | 74.9 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.9 | -42.4 | 178.5 | -171.5 | 174.2 | 64.1 | 0 | 0 | 113.1 | T160 C173 T174 K175 E179 A180 L181 L222 G226 | T160-M177 HydrophobicContact CG2-CE 3.36Å; T160-M177 WeakPolarHBondContact OG1-CE 3.2Å; C173-M177 PolarHBondContact O-N 3.45Å; C173-M177 VanDerWaalsContact O-N 3.07Å; T174-M177 PolarHBondContact O-N 3.07Å; K175-M177 VanDerWaalsContact C-N 3.31Å; K175-M177 PolarHBondContact O-N 3.02Å; M177-E179 VanDerWaalsContact C-N 3.28Å; M177-E179 PolarHBondContact O-N 3.22Å; M177-A180 PolarHBondContact O-N 3.3Å; M177-L181 HydrophobicContact CG-CD1 3.95Å; M177-L181 HydrophobicContact CG-CG 4.37Å; M177-L181 WeakPolarHBondContact O-CG 3.49Å; M177-L181 PolarHBondContact O-N 2.96Å; M177-L222 HydrophobicContact CE-CD1 3.46Å; M177-L222 VanDerWaalsContact CE-CD1 3.46Å; M177-L222 HydrophobicContact CE-CD2 4.38Å; M177-L222 HydrophobicContact CE-CG 3.64Å; M177-L222 HydrophobicContact SD-CG 4.34Å; M177-G226 WeakPolarHBondContact SD-CA 3.36Å; M177-G226 PolarHBondContact SD-N 2.88Å |
| 178 | V | 84.6 | Confident | 76.8 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.6 | -44.9 | 173.9 | 163.6 | 0 | 0 | 0 | 0 | 110.3 | V157 T160 K161 T174 K175 C182 | V157-V178 HydrophobicContact CG1-CG1 4.25Å; T160-V178 HydrophobicContact CG2-CG2 3.64Å; K161-V178 HydrophobicContact CG-CG2 4.02Å; T174-V178 WeakPolarHBondContact O-CB 3.4Å; T174-V178 VanDerWaalsContact O-CG2 3.3Å; T174-V178 WeakPolarHBondContact O-CG2 3.46Å; T174-V178 PolarHBondContact O-N 2.83Å; K175-V178 PolarHBondContact O-N 2.79Å; V178-C182 WeakPolarHBondContact O-CB 3.3Å; V178-C182 PolarHBondContact O-N 3.24Å; V178-C182 PolarHBondContact O-SG 2.82Å |
| 179 | E | 82.7 | Confident | 78.6 | Confident | 89 Ų | 89 | 46.8 Ų | 46.8 | 42% | 0.416 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 176.3 | -76.9 | -165.9 | -159.4 | 0 | 0 | 112.7 | K175 M177 L181 C182 K183 | K175-E179 WeakPolarHBondContact O-CB 3.46Å; K175-E179 WeakPolarHBondContact O-CG 3.49Å; K175-E179 PolarHBondContact O-N 3.36Å; M177-E179 VanDerWaalsContact C-N 3.28Å; M177-E179 PolarHBondContact O-N 3.22Å; E179-L181 PolarHBondContact O-N 3.38Å; E179-C182 PolarHBondContact O-N 2.74Å; E179-K183 WeakPolarHBondContact O-CD 3.49Å; E179-K183 WeakPolarHBondContact O-CE 3.31Å; E179-K183 WeakPolarHBondContact O-CG 3.32Å; E179-K183 PolarHBondContact O-N 2.66Å; E179-K183 IonicContact OE2-NZ 2.75Å; E179-K183 PolarHBondContact OE2-NZ 3.38Å |
| 180 | A | 83.1 | Confident | 80.4 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -47 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C176 M177 K183 Q203 | C176-A180 WeakPolarHBondContact O-CB 3.29Å; C176-A180 PolarHBondContact O-N 2.73Å; M177-A180 PolarHBondContact O-N 3.3Å; A180-K183 PolarHBondContact O-N 3Å; A180-Q203 HydrophobicContact CB-CB 4.32Å; A180-Q203 HydrophobicContact CB-CG 4.42Å |
| 181 | L | 87.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 177.5 | -66.5 | 168.9 | 0 | 0 | 0 | 111.8 | V153 A156 V157 M177 E179 K183 V184 L230 | V153-L181 HydrophobicContact CG1-CB 3.81Å; V153-L181 HydrophobicContact CG1-CD2 4.03Å; V153-L181 VanDerWaalsContact CG1-O 3.28Å; V153-L181 WeakPolarHBondContact CG1-O 3.49Å; A156-L181 HydrophobicContact CB-CD1 3.9Å; V157-L181 HydrophobicContact CG2-CB 3.4Å; V157-L181 HydrophobicContact CG2-CD1 3.96Å; V157-L181 HydrophobicContact CG2-CG 4.34Å; M177-L181 HydrophobicContact CG-CD1 3.95Å; M177-L181 HydrophobicContact CG-CG 4.37Å; M177-L181 WeakPolarHBondContact O-CG 3.49Å; M177-L181 PolarHBondContact O-N 2.96Å; E179-L181 PolarHBondContact O-N 3.38Å; L181-K183 VanDerWaalsContact C-N 3.29Å; L181-K183 PolarHBondContact O-N 2.82Å; L181-V184 PolarHBondContact O-N 3.37Å; L181-L230 HydrophobicContact CD2-CD2 3.94Å; L181-L230 HydrophobicContact CD2-CG 4.08Å |
| 182 | C | 88.9 | Confident | 83.7 | Confident | 41 Ų | 41 | 30.2 Ų | 30.2 | 28% | 0.277 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.4 | -36.8 | 176.3 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | V178 E179 V184 V185 D186 | V178-C182 WeakPolarHBondContact O-CB 3.3Å; V178-C182 PolarHBondContact O-N 3.24Å; V178-C182 PolarHBondContact O-SG 2.82Å; E179-C182 PolarHBondContact O-N 2.74Å; C182-V184 VanDerWaalsContact C-N 3.28Å; C182-V184 PolarHBondContact O-N 2.8Å; C182-V185 PolarHBondContact O-N 3.44Å; C182-D186 WeakPolarHBondContact O-CB 3.09Å; C182-D186 PolarHBondContact O-N 3.31Å |
| 183 | K | 87.5 | Confident | 84.7 | Confident | 49 Ų | 49 | 26.7 Ų | 26.7 | 21% | 0.213 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.8 | -34 | 177.6 | -73 | 154.4 | -164.8 | 159.9 | 0 | 112.4 | E179 A180 L181 V187 Y291 | E179-K183 WeakPolarHBondContact O-CD 3.49Å; E179-K183 WeakPolarHBondContact O-CE 3.31Å; E179-K183 WeakPolarHBondContact O-CG 3.32Å; E179-K183 PolarHBondContact O-N 2.66Å; E179-K183 IonicContact OE2-NZ 2.75Å; E179-K183 PolarHBondContact OE2-NZ 3.38Å; A180-K183 PolarHBondContact O-N 3Å; L181-K183 VanDerWaalsContact C-N 3.29Å; L181-K183 PolarHBondContact O-N 2.82Å; K183-V187 WeakPolarHBondContact O-CB 3.46Å; K183-V187 WeakPolarHBondContact O-CG2 3.33Å; K183-V187 PolarHBondContact O-N 3.01Å; K183-Y291 HydrophobicContact CB-CD1 4.08Å; K183-Y291 HydrophobicContact CB-CE1 3.89Å; K183-Y291 HydrophobicContact CD-CD2 4.2Å; K183-Y291 HydrophobicContact CD-CE2 4.05Å; K183-Y291 HydrophobicContact CG-CD1 4.12Å; K183-Y291 HydrophobicContact CG-CD2 4.29Å; K183-Y291 HydrophobicContact CG-CE1 4.25Å; K183-Y291 HydrophobicContact CG-CE2 4.4Å; K183-Y291 HydrophobicContact CG-CG 4.14Å |
| 184 | V | 89.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.3 | -50.1 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 111 | L181 C182 V187 L188 V199 L230 | L181-V184 PolarHBondContact O-N 3.37Å; C182-V184 VanDerWaalsContact C-N 3.28Å; C182-V184 PolarHBondContact O-N 2.8Å; V184-V187 PolarHBondContact O-N 3.18Å; V184-L188 WeakPolarHBondContact O-CB 3.32Å; V184-L188 PolarHBondContact O-N 3.5Å; V184-V199 HydrophobicContact CG2-CG1 4.06Å; V184-L230 HydrophobicContact CG2-CD2 3.59Å |
| 185 | V | 89.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 25.1 Ų | 25.1 | 7% | 0.073 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | -179.6 | 179.9 | 0 | 0 | 0 | 0 | 111 | R150 V153 L154 C182 V187 L188 D189 | R150-V185 HydrophobicContact CG-CG1 3.97Å; V153-V185 HydrophobicContact CB-CG2 3.94Å; V153-V185 HydrophobicContact CG1-CG2 3.63Å; L154-V185 HydrophobicContact CD2-CG1 4.44Å; L154-V185 HydrophobicContact CD2-CG2 4.11Å; L154-V185 HydrophobicContact CG-CG2 4.24Å; C182-V185 PolarHBondContact O-N 3.44Å; V185-V187 PolarHBondContact O-N 3.48Å; V185-L188 PolarHBondContact O-N 3.32Å; V185-D189 PolarHBondContact O-N 2.93Å |
| 186 | D | 86.3 | Confident | 87 | Confident | 51 Ų | 51 | 19.3 Ų | 19.3 | 27% | 0.273 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -55 | -39.2 | 176.1 | -97 | -13.6 | 0 | 0 | 0 | 112.7 | C182 Q190 K289 | C182-D186 WeakPolarHBondContact O-CB 3.09Å; C182-D186 PolarHBondContact O-N 3.31Å; D186-Q190 WeakPolarHBondContact O-CB 3.39Å; D186-Q190 WeakPolarHBondContact O-CG 3.22Å; D186-Q190 PolarHBondContact O-N 2.89Å; D186-Q190 PolarHBondContact O-NE2 3.29Å; D186-K289 IonicContact OD1-NZ 3.67Å; D186-K289 PolarHBondContact OD1-NZ 3.43Å; D186-K289 VanDerWaalsContact OD2-CD 3.27Å; D186-K289 WeakPolarHBondContact OD2-CD 3.41Å; D186-K289 IonicContact OD2-NZ 3.73Å; D186-K289 PolarHBondContact OD2-NZ 2.95Å |
| 187 | V | 88.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -78.7 | -38.7 | -179.6 | 169 | 0 | 0 | 0 | 0 | 111.4 | K183 V184 V185 D189 Q190 L191 G192 C195 A196 V199 Y291 I292 V295 | K183-V187 WeakPolarHBondContact O-CB 3.46Å; K183-V187 WeakPolarHBondContact O-CG2 3.33Å; K183-V187 PolarHBondContact O-N 3.01Å; V184-V187 PolarHBondContact O-N 3.18Å; V185-V187 PolarHBondContact O-N 3.48Å; V187-D189 VanDerWaalsContact C-N 3.33Å; V187-D189 PolarHBondContact O-N 3.27Å; V187-Q190 PolarHBondContact O-N 2.92Å; V187-L191 HydrophobicContact CG1-CB 4.44Å; V187-L191 WeakPolarHBondContact O-CA 3.33Å; V187-L191 PolarHBondContact O-N 3.1Å; V187-G192 PolarHBondContact O-N 3.35Å; V187-G192 VanDerWaalsContact O-N 3.12Å; V187-C195 VanDerWaalsContact CG1-C 3.45Å; V187-C195 HydrophobicContact CG1-CB 3.51Å; V187-A196 HydrophobicContact CG1-CB 4.47Å; V187-V199 HydrophobicContact CB-CG2 4.43Å; V187-V199 HydrophobicContact CG1-CG2 4.06Å; V187-V199 HydrophobicContact CG2-CG2 4.09Å; V187-Y291 HydrophobicContact CG2-CD1 3.95Å; V187-Y291 HydrophobicContact CG2-CE1 4.08Å; V187-I292 HydrophobicContact CB-CD1 4.47Å; V187-I292 HydrophobicContact CG2-CD1 3.71Å; V187-V295 HydrophobicContact CG1-CG1 3.88Å; V187-V295 HydrophobicContact CG2-CB 4.45Å; V187-V295 HydrophobicContact CG2-CG1 4.36Å; V187-V295 HydrophobicContact CG2-CG2 3.99Å |
| 188 | L | 89.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 175.2 | -175.5 | 61 | 0 | 0 | 0 | 111.4 | A146 V149 V184 V185 G192 P193 A196 | A146-L188 HydrophobicContact CB-CD1 3.96Å; A146-L188 HydrophobicContact CB-CD2 4.12Å; A146-L188 HydrophobicContact CB-CG 4.25Å; V149-L188 HydrophobicContact CB-CD2 4.24Å; V149-L188 HydrophobicContact CG1-CD2 4.02Å; V184-L188 WeakPolarHBondContact O-CB 3.32Å; V184-L188 PolarHBondContact O-N 3.5Å; V185-L188 PolarHBondContact O-N 3.32Å; L188-G192 VanDerWaalsContact O-CA 3.3Å; L188-G192 WeakPolarHBondContact O-CA 3.47Å; L188-G192 PolarHBondContact O-N 2.83Å; L188-P193 HydrophobicContact CD1-CB 4.42Å; L188-P193 HydrophobicContact CD1-CG 4.11Å; L188-A196 HydrophobicContact CB-CB 3.87Å; L188-A196 HydrophobicContact CD1-CB 3.88Å; L188-A196 HydrophobicContact CG-CB 4.44Å |
| 189 | D | 85.2 | Confident | 88.4 | Confident | 62 Ų | 62 | 20.1 Ų | 20.1 | 33% | 0.332 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -78.5 | -16.9 | -177.3 | -68.7 | -13.2 | 0 | 0 | 0 | 113.9 | R150 V185 V187 | R150-D189 IonicContact CZ-OD1 3.93Å; R150-D189 VanDerWaalsContact CZ-OD1 3.28Å; R150-D189 IonicContact NE-OD1 3.84Å; R150-D189 PolarHBondContact NE-OD1 3.35Å; R150-D189 IonicContact NE-OD2 2.73Å; R150-D189 PolarHBondContact NE-OD2 3.18Å; R150-D189 IonicContact NH2-OD1 3.39Å; R150-D189 PolarHBondContact NH2-OD1 2.9Å; V185-D189 PolarHBondContact O-N 2.93Å; V187-D189 VanDerWaalsContact C-N 3.33Å; V187-D189 PolarHBondContact O-N 3.27Å |
| 190 | Q | 85.9 | Confident | 88.7 | Confident | 20 Ų | 20 | 15.9 Ų | 15.9 | 9% | 0.093 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -108.1 | -39.6 | -179.1 | -74.8 | 169.3 | 95.1 | 0 | 0 | 113.9 | D186 V187 T255 I292 F375 | D186-Q190 WeakPolarHBondContact O-CB 3.39Å; D186-Q190 WeakPolarHBondContact O-CG 3.22Å; D186-Q190 PolarHBondContact O-N 2.89Å; D186-Q190 PolarHBondContact O-NE2 3.29Å; V187-Q190 PolarHBondContact O-N 2.92Å; Q190-T255 PolarHBondContact O-OG1 3.31Å; Q190-I292 HydrophobicContact CB-CD1 4.1Å; Q190-F375 HydrophobicContact CB-CE1 4.46Å; Q190-F375 WeakPolarHBondContact O-CZ 3.44Å |
| 191 | L | 89 | Confident | 88.9 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | -20.9 | -173.1 | -59.5 | 178.4 | 0 | 0 | 0 | 113.5 | V187 C195 V254 T255 A258 I292 V295 L296 F375 | V187-L191 HydrophobicContact CG1-CB 4.44Å; V187-L191 WeakPolarHBondContact O-CA 3.33Å; V187-L191 PolarHBondContact O-N 3.1Å; L191-C195 HydrophobicContact CB-CB 3.64Å; L191-C195 HydrophobicContact CD1-CB 4.29Å; L191-V254 WeakPolarHBondContact O-CA 3.2Å; L191-T255 PolarHBondContact O-N 2.93Å; L191-T255 VanDerWaalsContact O-N 3.13Å; L191-A258 HydrophobicContact CD2-CB 4.01Å; L191-I292 HydrophobicContact CD1-CD1 4.41Å; L191-I292 HydrophobicContact CD1-CG2 4.23Å; L191-I292 HydrophobicContact CD2-CG2 4.49Å; L191-I292 HydrophobicContact CG-CG2 4.42Å; L191-V295 HydrophobicContact CD1-CB 3.97Å; L191-V295 HydrophobicContact CD1-CG1 3.58Å; L191-L296 HydrophobicContact CD1-CB 4.47Å; L191-L296 HydrophobicContact CD2-CD1 3.97Å; L191-F375 HydrophobicContact CD2-CE1 4.06Å; L191-F375 HydrophobicContact CD2-CE2 4.24Å; L191-F375 HydrophobicContact CD2-CZ 3.63Å |
| 192 | G | 89.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | 102.4 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V187 L188 W194 C195 A196 | V187-G192 PolarHBondContact O-N 3.35Å; V187-G192 VanDerWaalsContact O-N 3.12Å; L188-G192 VanDerWaalsContact O-CA 3.3Å; L188-G192 WeakPolarHBondContact O-CA 3.47Å; L188-G192 PolarHBondContact O-N 2.83Å; G192-W194 VanDerWaalsContact C-N 3.32Å; G192-W194 PolarHBondContact O-N 2.77Å; G192-C195 PolarHBondContact O-N 3.13Å; G192-A196 PolarHBondContact O-N 2.88Å | ||
| 193 | P | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -51.2 | -40.2 | -172.9 | -31.8 | 35.9 | 0 | 0 | 0 | 115.9 | W142 F145 L188 A196 W197 L237 V241 F253 | W142-P193 HydrophobicContact CB-CG 3.95Å; W142-P193 HydrophobicContact CD2-CG 3.46Å; W142-P193 VanDerWaalsContact CD2-CG 3.46Å; W142-P193 HydrophobicContact CE3-CG 3.56Å; W142-P193 HydrophobicContact CG-CG 3.68Å; W142-P193 HydrophobicContact CZ3-CG 4.18Å; F145-P193 HydrophobicContact CE2-CB 4.08Å; F145-P193 HydrophobicContact CE2-CG 4.15Å; F145-P193 HydrophobicContact CZ-CB 4.42Å; F145-P193 HydrophobicContact CZ-CG 4.39Å; L188-P193 HydrophobicContact CD1-CB 4.42Å; L188-P193 HydrophobicContact CD1-CG 4.11Å; P193-A196 PolarHBondContact O-N 3.19Å; P193-W197 WeakPolarHBondContact O-CB 3.24Å; P193-W197 PolarHBondContact O-N 3.31Å; P193-L237 HydrophobicContact CB-CD2 4.07Å; P193-V241 HydrophobicContact CB-CG2 4.02Å; P193-F253 WeakPolarHBondContact CD-O 3.34Å |
| 194 | W | 91.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | -178.1 | -172.2 | 98.8 | 0 | 0 | 0 | 112.4 | G192 W197 K198 V241 L250 F253 V254 L299 T302 W306 | G192-W194 VanDerWaalsContact C-N 3.32Å; G192-W194 PolarHBondContact O-N 2.77Å; W194-W197 PolarHBondContact O-N 3.39Å; W194-K198 HydrophobicContact CD2-CG 4.49Å; W194-K198 HydrophobicContact CE3-CG 4.18Å; W194-K198 HydrophobicContact CH2-CD 4.34Å; W194-K198 HydrophobicContact CH2-CG 3.83Å; W194-K198 HydrophobicContact CZ2-CD 4.45Å; W194-K198 VanDerWaalsContact CZ2-CE 3.45Å; W194-K198 HydrophobicContact CZ2-CG 4.15Å; W194-K198 HydrophobicContact CZ3-CG 3.84Å; W194-K198 PolarHBondContact O-N 2.91Å; W194-V241 HydrophobicContact CB-CG1 4.03Å; W194-V241 VanDerWaalsContact CD1-CG1 3.47Å; W194-V241 HydrophobicContact CG-CG1 3.94Å; W194-L250 HydrophobicContact CB-CD1 3.89Å; W194-L250 HydrophobicContact CD2-CD1 3.7Å; W194-L250 HydrophobicContact CE3-CD1 4.24Å; W194-L250 HydrophobicContact CG-CD1 3.5Å; W194-L250 VanDerWaalsContact CG-CD1 3.5Å; W194-F253 HydrophobicContact CB-CB 4.15Å; W194-F253 WeakPolarHBondContact CB-O 3.43Å; W194-F253 PolarHBondContact N-O 2.9Å; W194-V254 HydrophobicContact CB-CG2 4.35Å; W194-L299 HydrophobicContact CE3-CD1 3.7Å; W194-L299 HydrophobicContact CH2-CD1 4.44Å; W194-L299 HydrophobicContact CZ3-CD1 3.57Å; W194-T302 HydrophobicContact CH2-CG2 3.69Å; W194-T302 HydrophobicContact CZ2-CG2 3.74Å; W194-W306 AromaticContact CE2-CH2 3.76Å; W194-W306 AromaticContact CZ2-CH2 3.74Å; W194-W306 HydrophobicContact CZ2-CH2 3.74Å; W194-W306 AromaticContact CZ2-CZ2 3.85Å; W194-W306 HydrophobicContact CZ2-CZ2 3.85Å; W194-W306 AromaticContact NE1-CH2 3.51Å |
| 195 | C | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.4 | -38.7 | 176.3 | -68.9 | 0 | 0 | 0 | 0 | 111.5 | V187 L191 G192 K198 V199 V295 | V187-C195 VanDerWaalsContact CG1-C 3.45Å; V187-C195 HydrophobicContact CG1-CB 3.51Å; L191-C195 HydrophobicContact CB-CB 3.64Å; L191-C195 HydrophobicContact CD1-CB 4.29Å; G192-C195 PolarHBondContact O-N 3.13Å; C195-K198 PolarHBondContact O-N 3.07Å; C195-V199 WeakPolarHBondContact O-CG2 3.28Å; C195-V199 PolarHBondContact O-N 3.02Å; C195-V295 HydrophobicContact CB-CG1 3.9Å |
| 196 | A | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V187 L188 G192 P193 K198 V199 C200 L237 | V187-A196 HydrophobicContact CG1-CB 4.47Å; L188-A196 HydrophobicContact CB-CB 3.87Å; L188-A196 HydrophobicContact CD1-CB 3.88Å; L188-A196 HydrophobicContact CG-CB 4.44Å; G192-A196 PolarHBondContact O-N 2.88Å; P193-A196 PolarHBondContact O-N 3.19Å; A196-K198 PolarHBondContact O-N 2.85Å; A196-V199 CarbonylContact O-C 3.57Å; A196-V199 WeakPolarHBondContact O-CB 3.02Å; A196-V199 PolarHBondContact O-N 2.86Å; A196-V199 VanDerWaalsContact O-N 3.1Å; A196-C200 PolarHBondContact O-N 3.4Å; A196-C200 PolarHBondContact O-SG 2.92Å; A196-C200 VanDerWaalsContact O-SG 3.34Å; A196-L237 HydrophobicContact CB-CD1 4.03Å |
| 197 | W | 91.9 | Very high | 87.5 | Confident | 28 Ų | 28 | 25.4 Ų | 25.4 | 11% | 0.106 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 176.9 | 172.3 | 74.8 | 0 | 0 | 0 | 112.6 | P193 W194 V199 C200 I201 L237 D238 V241 K242 | P193-W197 WeakPolarHBondContact O-CB 3.24Å; P193-W197 PolarHBondContact O-N 3.31Å; W194-W197 PolarHBondContact O-N 3.39Å; W197-V199 VanDerWaalsContact C-N 3.27Å; W197-V199 PolarHBondContact O-N 3.4Å; W197-C200 PolarHBondContact O-N 3.2Å; W197-I201 HydrophobicContact CD2-CD1 4.2Å; W197-I201 HydrophobicContact CH2-CD1 4.31Å; W197-I201 HydrophobicContact CZ2-CD1 3.85Å; W197-I201 PolarHBondContact O-N 3.47Å; W197-L237 HydrophobicContact CB-CB 3.98Å; W197-L237 HydrophobicContact CB-CD1 4.05Å; W197-L237 HydrophobicContact CG-CB 4.34Å; W197-D238 PolarHBondContact NE1-OD1 3.32Å; W197-V241 HydrophobicContact CB-CB 4.41Å; W197-V241 HydrophobicContact CB-CG1 3.9Å; W197-V241 HydrophobicContact CD2-CG1 3.82Å; W197-V241 HydrophobicContact CE3-CG1 3.7Å; W197-V241 HydrophobicContact CG-CB 4.33Å; W197-V241 HydrophobicContact CG-CG1 3.91Å; W197-V241 HydrophobicContact CZ3-CG1 4.46Å; W197-K242 HydrophobicContact CZ2-CB 4.31Å; W197-K242 HydrophobicContact CZ2-CG 4.12Å |
| 198 | K | 89.7 | Confident | 87.2 | Confident | 61 Ų | 61 | 29.2 Ų | 29.2 | 27% | 0.265 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -59.6 | -37.7 | 173.5 | -72.7 | -65.5 | -163 | 174.1 | 0 | 112.4 | W194 C195 A196 K202 M298 | W194-K198 HydrophobicContact CD2-CG 4.49Å; W194-K198 HydrophobicContact CE3-CG 4.18Å; W194-K198 HydrophobicContact CH2-CD 4.34Å; W194-K198 HydrophobicContact CH2-CG 3.83Å; W194-K198 HydrophobicContact CZ2-CD 4.45Å; W194-K198 VanDerWaalsContact CZ2-CE 3.45Å; W194-K198 HydrophobicContact CZ2-CG 4.15Å; W194-K198 HydrophobicContact CZ3-CG 3.84Å; W194-K198 PolarHBondContact O-N 2.91Å; C195-K198 PolarHBondContact O-N 3.07Å; A196-K198 PolarHBondContact O-N 2.85Å; K198-K202 PolarHBondContact O-N 2.82Å; K198-K202 VanDerWaalsContact O-N 3.17Å; K198-M298 HydrophobicContact CB-CE 3.49Å; K198-M298 VanDerWaalsContact CB-CE 3.49Å; K198-M298 HydrophobicContact CB-SD 4.18Å; K198-M298 HydrophobicContact CG-CE 4.23Å |
| 199 | V | 89.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.7 | -38.2 | 178.2 | 166.4 | 0 | 0 | 0 | 0 | 111.9 | V184 V187 C195 A196 W197 I201 K202 Q203 Y291 V295 | V184-V199 HydrophobicContact CG2-CG1 4.06Å; V187-V199 HydrophobicContact CB-CG2 4.43Å; V187-V199 HydrophobicContact CG1-CG2 4.06Å; V187-V199 HydrophobicContact CG2-CG2 4.09Å; C195-V199 WeakPolarHBondContact O-CG2 3.28Å; C195-V199 PolarHBondContact O-N 3.02Å; A196-V199 CarbonylContact O-C 3.57Å; A196-V199 WeakPolarHBondContact O-CB 3.02Å; A196-V199 PolarHBondContact O-N 2.86Å; A196-V199 VanDerWaalsContact O-N 3.1Å; W197-V199 VanDerWaalsContact C-N 3.27Å; W197-V199 PolarHBondContact O-N 3.4Å; V199-I201 PolarHBondContact O-N 3.06Å; V199-K202 PolarHBondContact O-N 2.9Å; V199-K202 VanDerWaalsContact O-N 3.16Å; V199-Q203 HydrophobicContact CG1-CG 4.13Å; V199-Q203 WeakPolarHBondContact O-CG 3.48Å; V199-Q203 PolarHBondContact O-N 2.84Å; V199-Y291 HydrophobicContact CG1-CE1 3.81Å; V199-Y291 HydrophobicContact CG2-CE1 3.87Å; V199-V295 HydrophobicContact CG2-CB 4.47Å; V199-V295 HydrophobicContact CG2-CG1 4Å; V199-V295 HydrophobicContact CG2-CG2 3.52Å |
| 200 | C | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.7 | -50.8 | 171.8 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | A196 W197 K202 Q203 E204 R234 | A196-C200 PolarHBondContact O-N 3.4Å; A196-C200 PolarHBondContact O-SG 2.92Å; A196-C200 VanDerWaalsContact O-SG 3.34Å; W197-C200 PolarHBondContact O-N 3.2Å; C200-K202 PolarHBondContact O-N 2.83Å; C200-Q203 PolarHBondContact O-N 2.92Å; C200-E204 WeakPolarHBondContact O-CB 3.38Å; C200-E204 PolarHBondContact O-N 2.83Å; C200-R234 HydrophobicContact CB-CB 3.87Å; C200-R234 HydrophobicContact CB-CG 4.46Å |
| 201 | I | 87.8 | Confident | 85.7 | Confident | 46 Ų | 46 | 32.8 Ų | 32.8 | 24% | 0.236 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.7 | -40.9 | 176.7 | -62.5 | 167.3 | 0 | 0 | 0 | 111.2 | W197 V199 R205 R234 | W197-I201 HydrophobicContact CD2-CD1 4.2Å; W197-I201 HydrophobicContact CH2-CD1 4.31Å; W197-I201 HydrophobicContact CZ2-CD1 3.85Å; W197-I201 PolarHBondContact O-N 3.47Å; V199-I201 PolarHBondContact O-N 3.06Å; I201-R205 WeakPolarHBondContact O-CG 3.38Å; I201-R205 PolarHBondContact O-N 3.06Å; I201-R234 HydrophobicContact CG1-CG 4.41Å |
| 202 | K | 85.2 | Confident | 85 | Confident | 40 Ų | 40 | 37.7 Ų | 37.7 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.9 | -45.6 | 178.9 | -174.9 | 171.9 | -177.7 | 168.5 | 0 | 112.5 | K198 V199 C200 R205 Q206 Y294 Y1033 | K198-K202 PolarHBondContact O-N 2.82Å; K198-K202 VanDerWaalsContact O-N 3.17Å; V199-K202 PolarHBondContact O-N 2.9Å; V199-K202 VanDerWaalsContact O-N 3.16Å; C200-K202 PolarHBondContact O-N 2.83Å; K202-R205 PolarHBondContact O-N 2.85Å; K202-Q206 WeakPolarHBondContact O-CG 3.38Å; K202-Q206 PolarHBondContact O-N 3.27Å; K202-Q206 VanDerWaalsContact O-N 3.14Å; K202-Y294 HydrophobicContact CD-CE1 3.82Å; K202-Y294 PolarHBondContact NZ-OH 3.13Å; K202-Y1033 WeakPolarHBondContact CE-OH 3.43Å; K202-Y1033 PolarHBondContact NZ-OH 2.91Å |
| 203 | Q | 86.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71 | -34.2 | -178.9 | -61.4 | -50.5 | -105.3 | 0 | 0 | 111.9 | A180 V199 C200 Q206 L207 L230 Y291 | A180-Q203 HydrophobicContact CB-CB 4.32Å; A180-Q203 HydrophobicContact CB-CG 4.42Å; V199-Q203 HydrophobicContact CG1-CG 4.13Å; V199-Q203 WeakPolarHBondContact O-CG 3.48Å; V199-Q203 PolarHBondContact O-N 2.84Å; C200-Q203 PolarHBondContact O-N 2.92Å; Q203-Q206 PolarHBondContact O-N 2.93Å; Q203-L207 PolarHBondContact O-N 3.03Å; Q203-L230 HydrophobicContact CB-CD1 3.65Å; Q203-L230 HydrophobicContact CB-CD2 4.24Å; Q203-Y291 PolarHBondContact NE2-OH 3.49Å |
| 204 | E | 85.1 | Confident | 82.9 | Confident | 19 Ų | 19 | 45.2 Ų | 45.2 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.8 | -51.4 | 170.7 | -174.8 | 177.2 | -168.3 | 0 | 0 | 110.5 | C200 Q206 L207 I208 E227 R234 | C200-E204 WeakPolarHBondContact O-CB 3.38Å; C200-E204 PolarHBondContact O-N 2.83Å; E204-Q206 PolarHBondContact O-N 2.78Å; E204-L207 PolarHBondContact O-N 2.75Å; E204-I208 HydrophobicContact CG-CD1 4.22Å; E204-I208 VanDerWaalsContact O-CG1 3.3Å; E204-I208 WeakPolarHBondContact O-CG1 3.31Å; E204-I208 PolarHBondContact O-N 2.96Å; E204-E227 HydrophobicContact CG-CG 4.02Å; E204-R234 IonicContact OE1-CZ 2.65Å; E204-R234 IonicContact OE1-NE 2.71Å; E204-R234 IonicContact OE1-NH2 2.7Å; E204-R234 PolarHBondContact OE1-NH2 2.91Å; E204-R234 IonicContact OE2-CZ 2.6Å; E204-R234 IonicContact OE2-NE 3.14Å; E204-R234 PolarHBondContact OE2-NE 2.87Å; E204-R234 IonicContact OE2-NH2 2.74Å; E204-R234 PolarHBondContact OE2-NH2 2.64Å |
| 205 | R | 82.6 | Confident | 81.5 | Confident | 171 Ų | 171 | 54 Ų | 54 | 65% | 0.645 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.9 | -36.6 | 174.5 | -71.8 | 179 | 178.1 | -175.5 | -1.4 | 114.2 | I201 K202 K209 | I201-R205 WeakPolarHBondContact O-CG 3.38Å; I201-R205 PolarHBondContact O-N 3.06Å; K202-R205 PolarHBondContact O-N 2.85Å; R205-K209 PolarHBondContact O-N 2.88Å |
| 206 | Q | 78.9 | Confident | 80.7 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 34% | 0.341 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -73.2 | -34 | 178.7 | -70.3 | -166.8 | -81.4 | 0 | 0 | 112.7 | K202 Q203 E204 L210 | K202-Q206 WeakPolarHBondContact O-CG 3.38Å; K202-Q206 PolarHBondContact O-N 3.27Å; K202-Q206 VanDerWaalsContact O-N 3.14Å; Q203-Q206 PolarHBondContact O-N 2.93Å; E204-Q206 PolarHBondContact O-N 2.78Å; Q206-L210 PolarHBondContact O-N 2.9Å; Q206-L210 VanDerWaalsContact O-N 3.11Å |
| 207 | L | 81.2 | Confident | 80 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 172 | -71.5 | -167.3 | 0 | 0 | 0 | 111.9 | Q203 E204 K209 L210 N211 I223 L230 | Q203-L207 PolarHBondContact O-N 3.03Å; E204-L207 PolarHBondContact O-N 2.75Å; L207-K209 VanDerWaalsContact C-N 3.34Å; L207-K209 PolarHBondContact O-N 3.4Å; L207-L210 HydrophobicContact CD2-CD1 4.29Å; L207-L210 PolarHBondContact O-N 3.36Å; L207-N211 PolarHBondContact O-N 2.79Å; L207-I223 HydrophobicContact CB-CG2 4.02Å; L207-I223 VanDerWaalsContact O-CG2 3.3Å; L207-I223 WeakPolarHBondContact O-CG2 3.37Å; L207-L230 HydrophobicContact CD1-CD1 3.65Å; L207-L230 HydrophobicContact CG-CD1 4.23Å |
| 208 | I | 81.2 | Confident | 79.2 | Confident | 81 Ų | 81 | 64.8 Ų | 64.8 | 42% | 0.415 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.4 | -69.3 | 163.4 | 0 | 0 | 0 | 111.5 | E204 N211 E227 | E204-I208 HydrophobicContact CG-CD1 4.22Å; E204-I208 VanDerWaalsContact O-CG1 3.3Å; E204-I208 WeakPolarHBondContact O-CG1 3.31Å; E204-I208 PolarHBondContact O-N 2.96Å; I208-N211 WeakPolarHBondContact O-CB 3.29Å; I208-N211 PolarHBondContact O-N 3.29Å; I208-E227 HydrophobicContact CG1-CG 4.33Å |
| 209 | K | 77.6 | Confident | 78.4 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.9 | -52.3 | 170.9 | -86 | -179.9 | 166.8 | -110.2 | 0 | 111.8 | R205 L207 N211 K212 Y213 D1029 E1031 | R205-K209 PolarHBondContact O-N 2.88Å; L207-K209 VanDerWaalsContact C-N 3.34Å; L207-K209 PolarHBondContact O-N 3.4Å; K209-N211 PolarHBondContact O-N 2.83Å; K209-N211 VanDerWaalsContact O-N 3.16Å; K209-K212 WeakPolarHBondContact O-CB 3.14Å; K209-K212 PolarHBondContact O-N 2.83Å; K209-K212 VanDerWaalsContact O-N 3.1Å; K209-Y213 VanDerWaalsContact O-CD2 3.3Å; K209-Y213 WeakPolarHBondContact O-CD2 3.49Å; K209-D1029 WeakPolarHBondContact CE-OD1 3.17Å; K209-D1029 IonicContact NZ-OD1 2.7Å; K209-D1029 PolarHBondContact NZ-OD1 3.2Å; K209-E1031 WeakPolarHBondContact CD-OE1 3.46Å; K209-E1031 WeakPolarHBondContact CE-OE1 3.09Å; K209-E1031 IonicContact NZ-OE1 3.63Å; K209-E1031 PolarHBondContact NZ-OE1 3.13Å |
| 210 | L | 74.7 | Confident | 78 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.3 | -30 | 179.4 | -87 | 160.2 | 0 | 0 | 0 | 113.6 | C176 Q206 L207 K212 Y213 C214 I223 | C176-L210 HydrophobicContact CB-CD1 4.48Å; Q206-L210 PolarHBondContact O-N 2.9Å; Q206-L210 VanDerWaalsContact O-N 3.11Å; L207-L210 HydrophobicContact CD2-CD1 4.29Å; L207-L210 PolarHBondContact O-N 3.36Å; L210-K212 VanDerWaalsContact C-N 3.28Å; L210-K212 PolarHBondContact O-N 3.06Å; L210-Y213 PolarHBondContact O-N 2.95Å; L210-C214 PolarHBondContact O-SG 3.01Å; L210-I223 HydrophobicContact CB-CD1 4.06Å |
| 211 | N | 78.2 | Confident | 77.6 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.2 | -33.5 | 178.1 | -159.1 | 58.6 | 0 | 0 | 0 | 112.9 | L207 I208 K209 Y213 C214 Q220 I223 | L207-N211 PolarHBondContact O-N 2.79Å; I208-N211 WeakPolarHBondContact O-CB 3.29Å; I208-N211 PolarHBondContact O-N 3.29Å; K209-N211 PolarHBondContact O-N 2.83Å; K209-N211 VanDerWaalsContact O-N 3.16Å; N211-Y213 PolarHBondContact O-N 2.96Å; N211-C214 PolarHBondContact O-N 3.38Å; N211-Q220 WeakPolarHBondContact OD1-CA 3.32Å; N211-I223 HydrophobicContact CB-CG2 3.88Å |
| 212 | K | 74.4 | Confident | 77.3 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -31.5 | 177.4 | -62.9 | -176.1 | -177.1 | 178.6 | 0 | 113.1 | K209 L210 S1027 D1028 D1029 | K209-K212 WeakPolarHBondContact O-CB 3.14Å; K209-K212 PolarHBondContact O-N 2.83Å; K209-K212 VanDerWaalsContact O-N 3.1Å; L210-K212 VanDerWaalsContact C-N 3.28Å; L210-K212 PolarHBondContact O-N 3.06Å; K212-S1027 WeakPolarHBondContact CE-OG 3.49Å; K212-S1027 PolarHBondContact NZ-OG 3.02Å; K212-D1028 PolarHBondContact NZ-O 3.42Å; K212-D1029 VanDerWaalsContact CD-OD2 3.26Å; K212-D1029 WeakPolarHBondContact CD-OD2 3.19Å; K212-D1029 WeakPolarHBondContact CE-OD2 3.28Å; K212-D1029 VanDerWaalsContact NZ-CG 3.31Å; K212-D1029 IonicContact NZ-OD1 3.8Å; K212-D1029 IonicContact NZ-OD2 2.79Å; K212-D1029 PolarHBondContact NZ-OD2 3.37Å |
| 213 | Y | 68.9 | Low | 77.2 | Confident | 150 Ų | 150 | 65.8 Ų | 65.8 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 4.9 | -176.1 | -57.3 | -84 | 0 | 0 | 0 | 113.2 | K209 L210 N211 D1029 | K209-Y213 VanDerWaalsContact O-CD2 3.3Å; K209-Y213 WeakPolarHBondContact O-CD2 3.49Å; L210-Y213 PolarHBondContact O-N 2.95Å; N211-Y213 PolarHBondContact O-N 2.96Å; Y213-D1029 WeakPolarHBondContact OH-CB 3.38Å |
| 214 | C | 65.1 | Low | 77.2 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 5% | 0.054 | 34% | 0.343 | C | S | . | . | trans | -97.5 | 109.3 | -175.8 | -75.4 | 0 | 0 | 0 | 0 | 111.8 | L210 N211 Q219 Q220 I223 | L210-C214 PolarHBondContact O-SG 3.01Å; N211-C214 PolarHBondContact O-N 3.38Å; C214-Q219 HydrophobicContact CB-CB 3.82Å; C214-Q220 HydrophobicContact CB-CG 3.96Å; C214-Q220 PolarHBondContact O-NE2 3.18Å; C214-I223 HydrophobicContact CB-CD1 4.42Å; C214-I223 WeakPolarHBondContact SG-CD1 3.46Å | ||
| 215 | M | 61.4 | Low | 77.2 | Confident | 186 Ų | 186 | 71.1 Ų | 71.1 | 92% | 0.916 | 35% | 0.351 | S | S | * | . | trans | -84.5 | -6.8 | -173.2 | -55.6 | -162.7 | 81 | 0 | 0 | 114.8 | ||||
| 216 | S | 74.3 | Confident | 77.4 | Confident | 35 Ų | 35 | 63 Ų | 63 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -115.6 | 139.8 | 176 | 69.5 | 0 | 0 | 0 | 0 | 112.8 | A218 Q219 Q220 | S216-A218 PolarHBondContact O-N 3.14Å; S216-A218 VanDerWaalsContact O-N 3.17Å; S216-Q219 WeakPolarHBondContact O-CB 3.4Å; S216-Q219 PolarHBondContact O-N 3.05Å; S216-Q219 WeakPolarHBondContact OG-CB 3.42Å; S216-Q219 VanDerWaalsContact OG-CD 3.29Å; S216-Q219 VanDerWaalsContact OG-CG 3.24Å; S216-Q219 WeakPolarHBondContact OG-CG 3.46Å; S216-Q219 PolarHBondContact OG-N 3.24Å; S216-Q219 PolarHBondContact OG-OE1 3.05Å; S216-Q220 PolarHBondContact O-N 3.08Å |
| 217 | E | 76.2 | Confident | 77.7 | Confident | 168 Ų | 168 | 60.9 Ų | 60.9 | 79% | 0.785 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -53.2 | -35.7 | 175.4 | -171.6 | -176.6 | -165.4 | 0 | 0 | 111.9 | Q220 A221 | E217-Q220 PolarHBondContact O-N 3.45Å; E217-A221 VanDerWaalsContact O-CB 3.22Å; E217-A221 WeakPolarHBondContact O-CB 3.38Å; E217-A221 PolarHBondContact O-N 3.41Å |
| 218 | A | 74 | Confident | 78.1 | Confident | 53 Ų | 53 | 64.7 Ų | 64.7 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L165 S216 L222 | L165-A218 HydrophobicContact CD2-CB 4.42Å; S216-A218 PolarHBondContact O-N 3.14Å; S216-A218 VanDerWaalsContact O-N 3.17Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 PolarHBondContact O-N 3.14Å; A218-L222 VanDerWaalsContact O-N 3.14Å |
| 219 | Q | 74.2 | Confident | 78.5 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 172.3 | -74.3 | 165.5 | -54.5 | 0 | 0 | 111.2 | L169 C214 S216 L222 I223 | L169-Q219 HydrophobicContact CD1-CG 4.36Å; C214-Q219 HydrophobicContact CB-CB 3.82Å; S216-Q219 WeakPolarHBondContact O-CB 3.4Å; S216-Q219 PolarHBondContact O-N 3.05Å; S216-Q219 WeakPolarHBondContact OG-CB 3.42Å; S216-Q219 VanDerWaalsContact OG-CD 3.29Å; S216-Q219 VanDerWaalsContact OG-CG 3.24Å; S216-Q219 WeakPolarHBondContact OG-CG 3.46Å; S216-Q219 PolarHBondContact OG-N 3.24Å; S216-Q219 PolarHBondContact OG-OE1 3.05Å; Q219-L222 WeakPolarHBondContact O-CB 3.46Å; Q219-L222 PolarHBondContact O-N 3.37Å; Q219-I223 WeakPolarHBondContact O-CG1 3.42Å; Q219-I223 PolarHBondContact O-N 3.05Å |
| 220 | Q | 79.8 | Confident | 79.1 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 178.3 | -66.2 | 177.7 | 4.4 | 0 | 0 | 111.2 | N211 C214 S216 E217 L222 I223 L224 | N211-Q220 WeakPolarHBondContact OD1-CA 3.32Å; C214-Q220 HydrophobicContact CB-CG 3.96Å; C214-Q220 PolarHBondContact O-NE2 3.18Å; S216-Q220 PolarHBondContact O-N 3.08Å; E217-Q220 PolarHBondContact O-N 3.45Å; Q220-L222 VanDerWaalsContact C-N 3.31Å; Q220-L222 PolarHBondContact O-N 3.43Å; Q220-I223 PolarHBondContact O-N 3.38Å; Q220-I223 VanDerWaalsContact O-N 3.17Å; Q220-L224 WeakPolarHBondContact O-CB 3.4Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 3.33Å; Q220-L224 PolarHBondContact O-N 2.99Å |
| 221 | A | 81.6 | Confident | 79.8 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E217 M225 | E217-A221 VanDerWaalsContact O-CB 3.22Å; E217-A221 WeakPolarHBondContact O-CB 3.38Å; E217-A221 PolarHBondContact O-N 3.41Å; A221-M225 VanDerWaalsContact O-CB 3.3Å; A221-M225 WeakPolarHBondContact O-CB 3.49Å; A221-M225 PolarHBondContact O-N 3.25Å |
| 222 | L | 82.6 | Confident | 80.3 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 174.5 | -171.8 | 73.1 | 0 | 0 | 0 | 111.4 | W159 L165 C173 T174 M177 A218 Q219 Q220 M225 G226 | W159-L222 HydrophobicContact CZ3-CD1 4.21Å; L165-L222 HydrophobicContact CD1-CD2 4.26Å; C173-L222 HydrophobicContact CB-CD2 4.11Å; T174-L222 HydrophobicContact CG2-CD2 3.92Å; M177-L222 HydrophobicContact CE-CD1 3.46Å; M177-L222 VanDerWaalsContact CE-CD1 3.46Å; M177-L222 HydrophobicContact CE-CD2 4.38Å; M177-L222 HydrophobicContact CE-CG 3.64Å; M177-L222 HydrophobicContact SD-CG 4.34Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 PolarHBondContact O-N 3.14Å; A218-L222 VanDerWaalsContact O-N 3.14Å; Q219-L222 WeakPolarHBondContact O-CB 3.46Å; Q219-L222 PolarHBondContact O-N 3.37Å; Q220-L222 VanDerWaalsContact C-N 3.31Å; Q220-L222 PolarHBondContact O-N 3.43Å; L222-M225 WeakPolarHBondContact O-CB 3.21Å; L222-M225 PolarHBondContact O-N 2.57Å; L222-G226 PolarHBondContact O-N 3.31Å |
| 223 | I | 82.8 | Confident | 81.1 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 179.9 | -69.8 | 178.3 | 0 | 0 | 0 | 111.7 | L207 L210 N211 C214 Q219 Q220 M225 G226 E227 | L207-I223 HydrophobicContact CB-CG2 4.02Å; L207-I223 VanDerWaalsContact O-CG2 3.3Å; L207-I223 WeakPolarHBondContact O-CG2 3.37Å; L210-I223 HydrophobicContact CB-CD1 4.06Å; N211-I223 HydrophobicContact CB-CG2 3.88Å; C214-I223 HydrophobicContact CB-CD1 4.42Å; C214-I223 WeakPolarHBondContact SG-CD1 3.46Å; Q219-I223 WeakPolarHBondContact O-CG1 3.42Å; Q219-I223 PolarHBondContact O-N 3.05Å; Q220-I223 PolarHBondContact O-N 3.38Å; Q220-I223 VanDerWaalsContact O-N 3.17Å; I223-M225 VanDerWaalsContact C-N 3.28Å; I223-M225 PolarHBondContact O-N 2.77Å; I223-G226 CarbonylContact O-C 3.57Å; I223-G226 WeakPolarHBondContact O-CA 3.21Å; I223-G226 PolarHBondContact O-N 3.23Å; I223-G226 VanDerWaalsContact O-N 3.08Å; I223-E227 PolarHBondContact O-N 2.86Å |
| 224 | L | 85.9 | Confident | 82.1 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -37.4 | 173.4 | -75 | 164.4 | 0 | 0 | 0 | 111.9 | Q220 T228 | Q220-L224 WeakPolarHBondContact O-CB 3.4Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 3.33Å; Q220-L224 PolarHBondContact O-N 2.99Å; L224-T228 WeakPolarHBondContact O-CB 3.42Å; L224-T228 PolarHBondContact O-N 3.34Å; L224-T228 PolarHBondContact O-OG1 3.48Å |
| 225 | M | 85.8 | Confident | 83.2 | Confident | 53 Ų | 53 | 58 Ų | 58 | 26% | 0.261 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 172.2 | -174.8 | 165 | 177.5 | 0 | 0 | 111.3 | W159 A221 L222 I223 T228 Y229 | W159-M225 HydrophobicContact CD2-CE 3.71Å; W159-M225 HydrophobicContact CE3-CE 3.43Å; W159-M225 VanDerWaalsContact CE3-CE 3.43Å; W159-M225 HydrophobicContact CE3-SD 3.97Å; W159-M225 HydrophobicContact CH2-CE 3.64Å; W159-M225 HydrophobicContact CH2-SD 3.44Å; W159-M225 WeakPolarHBondContact CH2-SD 3.25Å; W159-M225 HydrophobicContact CZ2-CE 3.9Å; W159-M225 HydrophobicContact CZ2-SD 4.21Å; W159-M225 HydrophobicContact CZ3-CE 3.4Å; W159-M225 HydrophobicContact CZ3-SD 3.29Å; W159-M225 WeakPolarHBondContact CZ3-SD 3.32Å; A221-M225 VanDerWaalsContact O-CB 3.3Å; A221-M225 WeakPolarHBondContact O-CB 3.49Å; A221-M225 PolarHBondContact O-N 3.25Å; L222-M225 WeakPolarHBondContact O-CB 3.21Å; L222-M225 PolarHBondContact O-N 2.57Å; I223-M225 VanDerWaalsContact C-N 3.28Å; I223-M225 PolarHBondContact O-N 2.77Å; M225-T228 WeakPolarHBondContact O-CB 3.32Å; M225-T228 PolarHBondContact O-N 2.99Å; M225-Y229 HydrophobicContact CE-CE2 3.64Å; M225-Y229 HydrophobicContact CG-CD2 3.98Å; M225-Y229 HydrophobicContact CG-CE2 3.68Å; M225-Y229 WeakPolarHBondContact O-CD2 3.43Å; M225-Y229 PolarHBondContact O-N 2.78Å; M225-Y229 HydrophobicContact SD-CE2 4.49Å |
| 226 | G | 85.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M177 L222 I223 T228 Y229 L230 | M177-G226 WeakPolarHBondContact SD-CA 3.36Å; M177-G226 PolarHBondContact SD-N 2.88Å; L222-G226 PolarHBondContact O-N 3.31Å; I223-G226 CarbonylContact O-C 3.57Å; I223-G226 WeakPolarHBondContact O-CA 3.21Å; I223-G226 PolarHBondContact O-N 3.23Å; I223-G226 VanDerWaalsContact O-N 3.08Å; G226-T228 VanDerWaalsContact C-N 3.33Å; G226-Y229 PolarHBondContact O-N 2.98Å; G226-L230 WeakPolarHBondContact O-CG 3.22Å; G226-L230 PolarHBondContact O-N 3.46Å |
| 227 | E | 86.4 | Confident | 85.1 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 13% | 0.131 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -48.5 | 172.9 | -165.5 | -150.3 | 125.1 | 0 | 0 | 109.8 | E204 I208 I223 Y229 L230 K231 | E204-E227 HydrophobicContact CG-CG 4.02Å; I208-E227 HydrophobicContact CG1-CG 4.33Å; I223-E227 PolarHBondContact O-N 2.86Å; E227-Y229 VanDerWaalsContact C-N 3.34Å; E227-Y229 PolarHBondContact O-N 2.64Å; E227-L230 PolarHBondContact O-N 3.49Å; E227-L230 VanDerWaalsContact O-N 3.11Å; E227-K231 WeakPolarHBondContact O-CB 3.16Å; E227-K231 PolarHBondContact O-N 2.66Å; E227-K231 WeakPolarHBondContact OE1-CE 3.31Å; E227-K231 IonicContact OE1-NZ 3.86Å; E227-K231 PolarHBondContact OE1-NZ 2.6Å |
| 228 | T | 89.1 | Confident | 85.6 | Confident | 86 Ų | 86 | 43.4 Ų | 43.4 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.2 | -43 | -179.9 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | L224 M225 G226 K231 A232 | L224-T228 WeakPolarHBondContact O-CB 3.42Å; L224-T228 PolarHBondContact O-N 3.34Å; L224-T228 PolarHBondContact O-OG1 3.48Å; M225-T228 WeakPolarHBondContact O-CB 3.32Å; M225-T228 PolarHBondContact O-N 2.99Å; G226-T228 VanDerWaalsContact C-N 3.33Å; T228-K231 PolarHBondContact O-N 2.6Å; T228-A232 VanDerWaalsContact O-CB 3.29Å; T228-A232 WeakPolarHBondContact O-CB 3.22Å; T228-A232 PolarHBondContact O-N 3.47Å |
| 229 | Y | 90.6 | Very high | 86 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.2 | -40.4 | 175 | -79.3 | -71.1 | 0 | 0 | 0 | 113.3 | L152 A156 M225 G226 E227 K231 A233 | L152-Y229 HydrophobicContact CD1-CD1 3.73Å; L152-Y229 HydrophobicContact CD1-CE1 3.76Å; L152-Y229 HydrophobicContact CG-CD1 4.03Å; A156-Y229 HydrophobicContact CB-CD1 3.82Å; A156-Y229 HydrophobicContact CB-CD2 3.58Å; A156-Y229 HydrophobicContact CB-CE1 4.04Å; A156-Y229 HydrophobicContact CB-CE2 3.81Å; A156-Y229 HydrophobicContact CB-CG 3.59Å; M225-Y229 HydrophobicContact CE-CE2 3.64Å; M225-Y229 HydrophobicContact CG-CD2 3.98Å; M225-Y229 HydrophobicContact CG-CE2 3.68Å; M225-Y229 WeakPolarHBondContact O-CD2 3.43Å; M225-Y229 PolarHBondContact O-N 2.78Å; M225-Y229 HydrophobicContact SD-CE2 4.49Å; G226-Y229 PolarHBondContact O-N 2.98Å; E227-Y229 VanDerWaalsContact C-N 3.34Å; E227-Y229 PolarHBondContact O-N 2.64Å; Y229-K231 VanDerWaalsContact C-N 3.34Å; Y229-A233 VanDerWaalsContact O-CB 3.26Å; Y229-A233 WeakPolarHBondContact O-CB 3.37Å; Y229-A233 PolarHBondContact O-N 3.31Å |
| 230 | L | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 175.2 | -70.5 | 173.5 | 0 | 0 | 0 | 112.1 | L181 V184 Q203 L207 G226 E227 R234 | L181-L230 HydrophobicContact CD2-CD2 3.94Å; L181-L230 HydrophobicContact CD2-CG 4.08Å; V184-L230 HydrophobicContact CG2-CD2 3.59Å; Q203-L230 HydrophobicContact CB-CD1 3.65Å; Q203-L230 HydrophobicContact CB-CD2 4.24Å; L207-L230 HydrophobicContact CD1-CD1 3.65Å; L207-L230 HydrophobicContact CG-CD1 4.23Å; G226-L230 WeakPolarHBondContact O-CG 3.22Å; G226-L230 PolarHBondContact O-N 3.46Å; E227-L230 PolarHBondContact O-N 3.49Å; E227-L230 VanDerWaalsContact O-N 3.11Å; L230-R234 VanDerWaalsContact O-CB 3.27Å; L230-R234 WeakPolarHBondContact O-CB 3.45Å; L230-R234 PolarHBondContact O-N 2.8Å |
| 231 | K | 88.9 | Confident | 86.7 | Confident | 83 Ų | 83 | 44.7 Ų | 44.7 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.2 | -43.3 | 178.3 | -164.8 | 174.9 | -147.9 | 162.3 | 0 | 111.1 | E227 T228 Y229 R234 M235 | E227-K231 WeakPolarHBondContact O-CB 3.16Å; E227-K231 PolarHBondContact O-N 2.66Å; E227-K231 WeakPolarHBondContact OE1-CE 3.31Å; E227-K231 IonicContact OE1-NZ 3.86Å; E227-K231 PolarHBondContact OE1-NZ 2.6Å; T228-K231 PolarHBondContact O-N 2.6Å; Y229-K231 VanDerWaalsContact C-N 3.34Å; K231-R234 PolarHBondContact O-N 3.02Å; K231-M235 VanDerWaalsContact O-CG 3.32Å; K231-M235 WeakPolarHBondContact O-CG 3.13Å; K231-M235 PolarHBondContact O-N 3.11Å |
| 232 | A | 89.9 | Confident | 86.7 | Confident | 37 Ų | 37 | 48 Ų | 48 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.6 | -45.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | L152 T228 R234 M235 L236 | L152-A232 HydrophobicContact CD2-CB 3.95Å; T228-A232 VanDerWaalsContact O-CB 3.29Å; T228-A232 WeakPolarHBondContact O-CB 3.22Å; T228-A232 PolarHBondContact O-N 3.47Å; A232-R234 VanDerWaalsContact C-N 3.32Å; A232-R234 PolarHBondContact O-N 2.88Å; A232-M235 PolarHBondContact O-N 2.93Å; A232-L236 WeakPolarHBondContact O-CG 3.21Å; A232-L236 PolarHBondContact O-N 3.3Å |
| 233 | A | 89.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | V149 L152 V153 Y229 L236 L237 | V149-A233 HydrophobicContact CG1-CB 4.08Å; L152-A233 HydrophobicContact CD2-CB 4.43Å; V153-A233 HydrophobicContact CG2-CB 3.87Å; Y229-A233 VanDerWaalsContact O-CB 3.26Å; Y229-A233 WeakPolarHBondContact O-CB 3.37Å; Y229-A233 PolarHBondContact O-N 3.31Å; A233-L236 PolarHBondContact O-N 2.9Å; A233-L237 WeakPolarHBondContact O-CG 3.44Å; A233-L237 PolarHBondContact O-N 3.1Å |
| 234 | R | 90.1 | Very high | 86.7 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 17% | 0.166 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.5 | -177.8 | 173.2 | 55.5 | 68.5 | -6.9 | 111.8 | C200 I201 E204 L230 K231 A232 L236 L237 D238 | C200-R234 HydrophobicContact CB-CB 3.87Å; C200-R234 HydrophobicContact CB-CG 4.46Å; I201-R234 HydrophobicContact CG1-CG 4.41Å; E204-R234 IonicContact OE1-CZ 2.65Å; E204-R234 IonicContact OE1-NE 2.71Å; E204-R234 IonicContact OE1-NH2 2.7Å; E204-R234 PolarHBondContact OE1-NH2 2.91Å; E204-R234 IonicContact OE2-CZ 2.6Å; E204-R234 IonicContact OE2-NE 3.14Å; E204-R234 PolarHBondContact OE2-NE 2.87Å; E204-R234 IonicContact OE2-NH2 2.74Å; E204-R234 PolarHBondContact OE2-NH2 2.64Å; L230-R234 VanDerWaalsContact O-CB 3.27Å; L230-R234 WeakPolarHBondContact O-CB 3.45Å; L230-R234 PolarHBondContact O-N 2.8Å; K231-R234 PolarHBondContact O-N 3.02Å; A232-R234 VanDerWaalsContact C-N 3.32Å; A232-R234 PolarHBondContact O-N 2.88Å; R234-L236 PolarHBondContact O-N 3.49Å; R234-L237 CarbonylContact O-C 3.4Å; R234-L237 PolarHBondContact O-N 3.13Å; R234-L237 VanDerWaalsContact O-N 3.13Å; R234-D238 IonicContact NH1-OD2 3.99Å; R234-D238 PolarHBondContact NH1-OD2 3.04Å; R234-D238 WeakPolarHBondContact O-CB 3.43Å; R234-D238 PolarHBondContact O-N 3.29Å |
| 235 | M | 88.4 | Confident | 86.4 | Confident | 126 Ų | 126 | 55.3 Ų | 55.3 | 62% | 0.621 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.6 | -37 | 180 | -75.7 | 177.5 | 68.8 | 0 | 0 | 113 | K231 A232 L237 D238 | K231-M235 VanDerWaalsContact O-CG 3.32Å; K231-M235 WeakPolarHBondContact O-CG 3.13Å; K231-M235 PolarHBondContact O-N 3.11Å; A232-M235 PolarHBondContact O-N 2.93Å; M235-L237 VanDerWaalsContact C-N 3.27Å; M235-L237 PolarHBondContact O-N 2.97Å; M235-D238 PolarHBondContact O-N 2.86Å |
| 236 | L | 88.2 | Confident | 86.4 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.5 | -30.7 | 172.8 | -70.6 | 173.5 | 0 | 0 | 0 | 112.8 | L148 V149 L152 A232 A233 R234 S239 H240 | L148-L236 HydrophobicContact CD2-CD1 4.12Å; L148-L236 HydrophobicContact CD2-CD2 4.03Å; L148-L236 HydrophobicContact CG-CD1 4.17Å; V149-L236 HydrophobicContact CG2-CB 3.78Å; V149-L236 HydrophobicContact CG2-CD1 3.92Å; L152-L236 HydrophobicContact CD2-CD1 3.99Å; A232-L236 WeakPolarHBondContact O-CG 3.21Å; A232-L236 PolarHBondContact O-N 3.3Å; A233-L236 PolarHBondContact O-N 2.9Å; R234-L236 PolarHBondContact O-N 3.49Å; L236-S239 PolarHBondContact O-OG 2.87Å; L236-S239 VanDerWaalsContact O-OG 3.11Å; L236-H240 PolarHBondContact O-ND1 2.93Å |
| 237 | L | 88.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -85.7 | -37.9 | 176.2 | -63.5 | 172.2 | 0 | 0 | 0 | 112.4 | F145 V149 P193 A196 W197 A233 R234 M235 S239 H240 V241 | F145-L237 HydrophobicContact CD2-CD2 4.16Å; F145-L237 HydrophobicContact CE2-CD2 3.84Å; V149-L237 HydrophobicContact CG2-CD2 4.24Å; V149-L237 HydrophobicContact CG2-CG 4.25Å; P193-L237 HydrophobicContact CB-CD2 4.07Å; A196-L237 HydrophobicContact CB-CD1 4.03Å; W197-L237 HydrophobicContact CB-CB 3.98Å; W197-L237 HydrophobicContact CB-CD1 4.05Å; W197-L237 HydrophobicContact CG-CB 4.34Å; A233-L237 WeakPolarHBondContact O-CG 3.44Å; A233-L237 PolarHBondContact O-N 3.1Å; R234-L237 CarbonylContact O-C 3.4Å; R234-L237 PolarHBondContact O-N 3.13Å; R234-L237 VanDerWaalsContact O-N 3.13Å; M235-L237 VanDerWaalsContact C-N 3.27Å; M235-L237 PolarHBondContact O-N 2.97Å; L237-S239 PolarHBondContact O-N 2.8Å; L237-H240 PolarHBondContact O-N 3.44Å; L237-V241 HydrophobicContact CB-CG2 4.38Å; L237-V241 VanDerWaalsContact O-CB 3.25Å; L237-V241 WeakPolarHBondContact O-CB 3.41Å; L237-V241 WeakPolarHBondContact O-CG2 3.48Å; L237-V241 PolarHBondContact O-N 3.05Å |
| 238 | D | 85.7 | Confident | 85.8 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -52 | -42.6 | -179 | -100.4 | -41.9 | 0 | 0 | 0 | 111.3 | W197 R234 M235 H240 K242 | W197-D238 PolarHBondContact NE1-OD1 3.32Å; R234-D238 IonicContact NH1-OD2 3.99Å; R234-D238 PolarHBondContact NH1-OD2 3.04Å; R234-D238 WeakPolarHBondContact O-CB 3.43Å; R234-D238 PolarHBondContact O-N 3.29Å; M235-D238 PolarHBondContact O-N 2.86Å; D238-H240 PolarHBondContact O-N 3.04Å; D238-K242 HydrophobicContact CB-CD 4.43Å; D238-K242 WeakPolarHBondContact O-CB 3.36Å; D238-K242 PolarHBondContact O-N 2.84Å; D238-K242 VanDerWaalsContact O-N 3.16Å; D238-K242 VanDerWaalsContact OD1-CD 3.31Å; D238-K242 WeakPolarHBondContact OD1-CD 3.45Å; D238-K242 IonicContact OD1-NZ 3.56Å |
| 239 | S | 82.3 | Confident | 85.5 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.3 | -22 | -179.2 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | L236 L237 | L236-S239 PolarHBondContact O-OG 2.87Å; L236-S239 VanDerWaalsContact O-OG 3.11Å; L237-S239 PolarHBondContact O-N 2.8Å |
| 240 | H | 82.3 | Confident | 85.2 | Confident | 87 Ų | 87 | 56 Ų | 56 | 40% | 0.403 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -110.7 | -38 | -179.8 | -60 | 89.3 | 0 | 0 | 0 | 112.4 | F145 L236 L237 D238 F253 | F145-H240 AromaticContact CD1-CD2 3.87Å; F145-H240 AromaticContact CD1-CE1 3.78Å; F145-H240 AromaticContact CD1-NE2 3.69Å; F145-H240 HydrophobicContact CE1-CB 4.05Å; F145-H240 AromaticContact CE1-CD2 3.48Å; F145-H240 VanDerWaalsContact CE1-CD2 3.48Å; F145-H240 WeakPolarHBondContact CE1-CD2 3.1Å; F145-H240 AromaticContact CE1-CG 3.57Å; F145-H240 AromaticContact CE1-ND1 3.94Å; F145-H240 AromaticContact CE1-NE2 3.82Å; F145-H240 HydrophobicContact CE2-CB 4.38Å; F145-H240 HydrophobicContact CZ-CB 3.74Å; F145-H240 AromaticContact CZ-CG 3.71Å; L236-H240 PolarHBondContact O-ND1 2.93Å; L237-H240 PolarHBondContact O-N 3.44Å; D238-H240 PolarHBondContact O-N 3.04Å; H240-F253 HydrophobicContact CB-CE1 3.96Å; H240-F253 WeakPolarHBondContact O-CZ 3.42Å |
| 241 | V | 86 | Confident | 85 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -96.7 | -32.8 | -165.5 | 176.3 | 0 | 0 | 0 | 0 | 112.9 | P193 W194 W197 L237 G243 V244 F253 | P193-V241 HydrophobicContact CB-CG2 4.02Å; W194-V241 HydrophobicContact CB-CG1 4.03Å; W194-V241 VanDerWaalsContact CD1-CG1 3.47Å; W194-V241 HydrophobicContact CG-CG1 3.94Å; W197-V241 HydrophobicContact CB-CB 4.41Å; W197-V241 HydrophobicContact CB-CG1 3.9Å; W197-V241 HydrophobicContact CD2-CG1 3.82Å; W197-V241 HydrophobicContact CE3-CG1 3.7Å; W197-V241 HydrophobicContact CG-CB 4.33Å; W197-V241 HydrophobicContact CG-CG1 3.91Å; W197-V241 HydrophobicContact CZ3-CG1 4.46Å; L237-V241 HydrophobicContact CB-CG2 4.38Å; L237-V241 VanDerWaalsContact O-CB 3.25Å; L237-V241 WeakPolarHBondContact O-CB 3.41Å; L237-V241 WeakPolarHBondContact O-CG2 3.48Å; L237-V241 PolarHBondContact O-N 3.05Å; V241-G243 PolarHBondContact O-N 2.76Å; V241-G243 VanDerWaalsContact O-N 3.12Å; V241-V244 WeakPolarHBondContact O-CB 3.39Å; V241-V244 WeakPolarHBondContact O-CG2 3.37Å; V241-V244 PolarHBondContact O-N 3.44Å; V241-F253 HydrophobicContact CG2-CD1 4.36Å |
| 242 | K | 82.9 | Confident | 84.6 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.2 | -167.3 | -169.3 | -179.1 | -159.3 | 152.4 | 0 | 114.4 | W197 D238 V244 | W197-K242 HydrophobicContact CZ2-CB 4.31Å; W197-K242 HydrophobicContact CZ2-CG 4.12Å; D238-K242 HydrophobicContact CB-CD 4.43Å; D238-K242 WeakPolarHBondContact O-CB 3.36Å; D238-K242 PolarHBondContact O-N 2.84Å; D238-K242 VanDerWaalsContact O-N 3.16Å; D238-K242 VanDerWaalsContact OD1-CD 3.31Å; D238-K242 WeakPolarHBondContact OD1-CD 3.45Å; D238-K242 IonicContact OD1-NZ 3.56Å; K242-V244 VanDerWaalsContact C-N 3.34Å |
| 243 | G | 80.4 | Confident | 84.5 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -14.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V241 K245 | V241-G243 PolarHBondContact O-N 2.76Å; V241-G243 VanDerWaalsContact O-N 3.12Å; G243-K245 PolarHBondContact O-N 3.12Å |
| 244 | V | 83.7 | Confident | 84.4 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | trans | -74.5 | 111.5 | -174.1 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | V241 K242 L250 F253 W306 | V241-V244 WeakPolarHBondContact O-CB 3.39Å; V241-V244 WeakPolarHBondContact O-CG2 3.37Å; V241-V244 PolarHBondContact O-N 3.44Å; K242-V244 VanDerWaalsContact C-N 3.34Å; V244-L250 HydrophobicContact CG1-CB 4.23Å; V244-L250 HydrophobicContact CG1-CD1 4.43Å; V244-F253 HydrophobicContact CG2-CD2 3.48Å; V244-F253 VanDerWaalsContact CG2-CD2 3.48Å; V244-F253 HydrophobicContact CG2-CE2 3.7Å; V244-F253 HydrophobicContact CG2-CG 4.41Å; V244-W306 HydrophobicContact CG1-CH2 4Å; V244-W306 HydrophobicContact CG1-CZ3 4.15Å; V244-W306 WeakPolarHBondContact O-CH2 3.17Å; V244-W306 VanDerWaalsContact O-CZ2 3.31Å; V244-W306 WeakPolarHBondContact O-CZ2 3.43Å | ||
| 245 | K | 80.4 | Confident | 84.3 | Confident | 164 Ų | 164 | 62.4 Ų | 62.4 | 71% | 0.713 | 33% | 0.326 | S | S | * | . | trans | -130.5 | 8.6 | 177.9 | -63.1 | -177 | -179.6 | 179 | 0 | 114 | G243 | G243-K245 PolarHBondContact O-N 3.12Š| ||
| 246 | S | 84.7 | Confident | 84 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -130.6 | 153.1 | 177.7 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | E248 G249 L250 | S246-E248 PolarHBondContact O-N 3.41Å; S246-G249 PolarHBondContact O-N 2.89Å; S246-G249 PolarHBondContact OG-N 3.13Å; S246-L250 WeakPolarHBondContact O-CB 3.49Å; S246-L250 PolarHBondContact O-N 3.14Å |
| 247 | V | 80.6 | Confident | 84 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -32.2 | 179.5 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | L250 Q251 W259 V303 N307 F311 | V247-L250 WeakPolarHBondContact O-CB 3.38Å; V247-L250 PolarHBondContact O-N 3.23Å; V247-Q251 PolarHBondContact O-N 2.79Å; V247-W259 HydrophobicContact CG1-CH2 3.99Å; V247-W259 HydrophobicContact CG1-CZ3 3.93Å; V247-W259 WeakPolarHBondContact O-CH2 3.29Å; V247-W259 VanDerWaalsContact O-CZ3 3.25Å; V247-W259 WeakPolarHBondContact O-CZ3 3.42Å; V247-V303 HydrophobicContact CG2-CG1 4.08Å; V247-N307 HydrophobicContact CG2-CB 4.19Å; V247-F311 HydrophobicContact CG1-CE2 4.16Å; V247-F311 HydrophobicContact CG1-CZ 4.12Å; V247-F311 HydrophobicContact CG2-CE2 4.09Å |
| 248 | E | 79.9 | Confident | 84 | Confident | 158 Ų | 158 | 55.1 Ų | 55.1 | 74% | 0.738 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | 174.6 | -62 | 163.5 | 171.2 | 0 | 0 | 112.3 | S246 L250 Q251 | S246-E248 PolarHBondContact O-N 3.41Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-Q251 WeakPolarHBondContact O-CB 3.37Å |
| 249 | G | 82.2 | Confident | 84.1 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 22% | 0.216 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S246 Q251 R252 F253 | S246-G249 PolarHBondContact O-N 2.89Å; S246-G249 PolarHBondContact OG-N 3.13Å; G249-Q251 VanDerWaalsContact C-N 3.3Å; G249-Q251 PolarHBondContact O-N 3.42Å; G249-R252 PolarHBondContact O-N 2.83Å; G249-F253 WeakPolarHBondContact O-CD2 3.5Å |
| 250 | L | 85.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 180 | -169.9 | 63.2 | 0 | 0 | 0 | 113 | W194 V244 S246 V247 E248 R252 F253 V254 L262 L299 V303 W306 | W194-L250 HydrophobicContact CB-CD1 3.89Å; W194-L250 HydrophobicContact CD2-CD1 3.7Å; W194-L250 HydrophobicContact CE3-CD1 4.24Å; W194-L250 HydrophobicContact CG-CD1 3.5Å; W194-L250 VanDerWaalsContact CG-CD1 3.5Å; V244-L250 HydrophobicContact CG1-CB 4.23Å; V244-L250 HydrophobicContact CG1-CD1 4.43Å; S246-L250 WeakPolarHBondContact O-CB 3.49Å; S246-L250 PolarHBondContact O-N 3.14Å; V247-L250 WeakPolarHBondContact O-CB 3.38Å; V247-L250 PolarHBondContact O-N 3.23Å; E248-L250 VanDerWaalsContact C-N 3.32Å; L250-R252 PolarHBondContact O-N 2.65Å; L250-R252 VanDerWaalsContact O-N 3.07Å; L250-F253 PolarHBondContact O-N 2.86Å; L250-V254 HydrophobicContact CD1-CG2 3.59Å; L250-V254 HydrophobicContact CG-CG2 3.72Å; L250-V254 WeakPolarHBondContact O-CG2 3.17Å; L250-V254 PolarHBondContact O-N 2.93Å; L250-L262 HydrophobicContact CD2-CD1 4.32Å; L250-L299 HydrophobicContact CD1-CD1 4.43Å; L250-L299 HydrophobicContact CD2-CD1 4.06Å; L250-V303 HydrophobicContact CD2-CG2 3.54Å; L250-W306 HydrophobicContact CB-CZ3 4.14Å; L250-W306 HydrophobicContact CD1-CH2 4.49Å; L250-W306 HydrophobicContact CD1-CZ3 4.18Å; L250-W306 HydrophobicContact CD2-CZ3 4.08Å; L250-W306 HydrophobicContact CG-CZ3 4.37Å |
| 251 | Q | 84.4 | Confident | 84.7 | Confident | 103 Ų | 103 | 49 Ų | 49 | 48% | 0.481 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -50.1 | -34.7 | 176.1 | -174.5 | 174.2 | 8.8 | 0 | 0 | 112.8 | V247 E248 G249 W259 | V247-Q251 PolarHBondContact O-N 2.79Å; E248-Q251 WeakPolarHBondContact O-CB 3.37Å; G249-Q251 VanDerWaalsContact C-N 3.3Å; G249-Q251 PolarHBondContact O-N 3.42Å; Q251-W259 HydrophobicContact CB-CD2 3.97Å; Q251-W259 HydrophobicContact CB-CE3 3.83Å; Q251-W259 HydrophobicContact CB-CH2 3.71Å; Q251-W259 HydrophobicContact CB-CZ2 3.86Å; Q251-W259 HydrophobicContact CB-CZ3 3.7Å; Q251-W259 HydrophobicContact CG-CD2 3.7Å; Q251-W259 HydrophobicContact CG-CE3 4.1Å; Q251-W259 HydrophobicContact CG-CG 4.16Å; Q251-W259 HydrophobicContact CG-CH2 4.2Å; Q251-W259 HydrophobicContact CG-CZ2 3.81Å; Q251-W259 HydrophobicContact CG-CZ3 4.34Å |
| 252 | R | 81.6 | Confident | 84.8 | Confident | 154 Ų | 154 | 49.1 Ų | 49.1 | 58% | 0.581 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -80.4 | -11.9 | -178.1 | -57 | -168.2 | -168.7 | -165.2 | 5.1 | 114.4 | W142 G249 L250 | W142-R252 PolarHBondContact NE1-O 3.45Å; G249-R252 PolarHBondContact O-N 2.83Å; L250-R252 PolarHBondContact O-N 2.65Å; L250-R252 VanDerWaalsContact O-N 3.07Å |
| 253 | F | 87 | Confident | 85 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -128.5 | 22.1 | -171.2 | -61 | -73.3 | 0 | 0 | 0 | 113.7 | F145 P193 W194 H240 V241 V244 G249 L250 | F145-F253 HydrophobicContact CZ-CD1 4.36Å; F145-F253 HydrophobicContact CZ-CE1 4.29Å; P193-F253 WeakPolarHBondContact CD-O 3.34Å; W194-F253 HydrophobicContact CB-CB 4.15Å; W194-F253 WeakPolarHBondContact CB-O 3.43Å; W194-F253 PolarHBondContact N-O 2.9Å; H240-F253 HydrophobicContact CB-CE1 3.96Å; H240-F253 WeakPolarHBondContact O-CZ 3.42Å; V241-F253 HydrophobicContact CG2-CD1 4.36Å; V244-F253 HydrophobicContact CG2-CD2 3.48Å; V244-F253 VanDerWaalsContact CG2-CD2 3.48Å; V244-F253 HydrophobicContact CG2-CE2 3.7Å; V244-F253 HydrophobicContact CG2-CG 4.41Å; G249-F253 WeakPolarHBondContact O-CD2 3.5Å; L250-F253 PolarHBondContact O-N 2.86Å |
| 254 | V | 87.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -130.9 | 152 | -179.6 | 169 | 0 | 0 | 0 | 0 | 108.7 | L191 W194 L250 A258 | L191-V254 WeakPolarHBondContact O-CA 3.2Å; W194-V254 HydrophobicContact CB-CG2 4.35Å; L250-V254 HydrophobicContact CD1-CG2 3.59Å; L250-V254 HydrophobicContact CG-CG2 3.72Å; L250-V254 WeakPolarHBondContact O-CG2 3.17Å; L250-V254 PolarHBondContact O-N 2.93Å; V254-A258 HydrophobicContact CG1-CB 3.36Å |
| 255 | T | 87.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -66.2 | 154.4 | 177.8 | 53 | 0 | 0 | 0 | 0 | 112.2 | D137 W142 Q190 L191 R257 A258 W259 | D137-T255 VanDerWaalsContact OD1-CA 3.31Å; D137-T255 WeakPolarHBondContact OD1-CA 3.32Å; D137-T255 WeakPolarHBondContact OD1-CB 3.38Å; D137-T255 WeakPolarHBondContact OD1-CG2 3.27Å; W142-T255 HydrophobicContact CH2-CG2 4.11Å; W142-T255 HydrophobicContact CZ2-CG2 4.33Å; Q190-T255 PolarHBondContact O-OG1 3.31Å; L191-T255 PolarHBondContact O-N 2.93Å; L191-T255 VanDerWaalsContact O-N 3.13Å; T255-R257 PolarHBondContact O-N 3.08Å; T255-R257 VanDerWaalsContact O-N 3.09Å; T255-A258 PolarHBondContact O-N 3.31Å; T255-A258 WeakPolarHBondContact OG1-CB 3.42Å; T255-A258 PolarHBondContact OG1-N 3.36Å; T255-W259 PolarHBondContact O-N 3.13Å | ||
| 256 | G | 83.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.7 | -30.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D137 E260 | D137-G256 PolarHBondContact OD1-N 2.88Å; G256-E260 WeakPolarHBondContact O-CB 3.39Å; G256-E260 VanDerWaalsContact O-CG 3.23Å; G256-E260 WeakPolarHBondContact O-CG 3.23Å; G256-E260 PolarHBondContact O-N 3.49Å |
| 257 | R | 87.9 | Confident | 85 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.8 | -42.4 | 174.6 | -68.8 | -168.6 | -71.9 | 147.3 | -5.4 | 113.3 | C134 T255 L261 F375 D376 L401 Q403 | C134-R257 HydrophobicContact CB-CG 3.9Å; T255-R257 PolarHBondContact O-N 3.08Å; T255-R257 VanDerWaalsContact O-N 3.09Å; R257-L261 PolarHBondContact O-N 3.34Å; R257-L261 VanDerWaalsContact O-N 3.1Å; R257-F375 HydrophobicContact CB-CE2 3.88Å; R257-F375 HydrophobicContact CB-CZ 3.87Å; R257-F375 PolarHBondContact NH1-O 2.89Å; R257-D376 IonicContact CZ-OD1 3.38Å; R257-D376 IonicContact NH1-OD1 2.78Å; R257-D376 PolarHBondContact NH1-OD1 3.04Å; R257-D376 IonicContact NH2-OD1 2.75Å; R257-L401 WeakPolarHBondContact O-CD1 3.23Å; R257-Q403 HydrophobicContact CG-CG 4.03Å |
| 258 | A | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77.2 | -25.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L191 V254 T255 L262 F375 | L191-A258 HydrophobicContact CD2-CB 4.01Å; V254-A258 HydrophobicContact CG1-CB 3.36Å; T255-A258 PolarHBondContact O-N 3.31Å; T255-A258 WeakPolarHBondContact OG1-CB 3.42Å; T255-A258 PolarHBondContact OG1-N 3.36Å; A258-L262 PolarHBondContact O-N 3.22Å; A258-F375 HydrophobicContact CB-CE2 4.06Å; A258-F375 HydrophobicContact CB-CZ 4.19Å |
| 259 | W | 88.2 | Confident | 84.1 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 15% | 0.148 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69 | -49.5 | 167.9 | -175.4 | -107.4 | 0 | 0 | 0 | 112.5 | V247 Q251 T255 L261 L262 Q263 | V247-W259 HydrophobicContact CG1-CH2 3.99Å; V247-W259 HydrophobicContact CG1-CZ3 3.93Å; V247-W259 WeakPolarHBondContact O-CH2 3.29Å; V247-W259 VanDerWaalsContact O-CZ3 3.25Å; V247-W259 WeakPolarHBondContact O-CZ3 3.42Å; Q251-W259 HydrophobicContact CB-CD2 3.97Å; Q251-W259 HydrophobicContact CB-CE3 3.83Å; Q251-W259 HydrophobicContact CB-CH2 3.71Å; Q251-W259 HydrophobicContact CB-CZ2 3.86Å; Q251-W259 HydrophobicContact CB-CZ3 3.7Å; Q251-W259 HydrophobicContact CG-CD2 3.7Å; Q251-W259 HydrophobicContact CG-CE3 4.1Å; Q251-W259 HydrophobicContact CG-CG 4.16Å; Q251-W259 HydrophobicContact CG-CH2 4.2Å; Q251-W259 HydrophobicContact CG-CZ2 3.81Å; Q251-W259 HydrophobicContact CG-CZ3 4.34Å; T255-W259 PolarHBondContact O-N 3.13Å; W259-L261 PolarHBondContact O-N 3.21Å; W259-L262 HydrophobicContact CE3-CD1 4.23Å; W259-L262 HydrophobicContact CZ3-CD1 4.42Å; W259-L262 WeakPolarHBondContact O-CB 3.29Å; W259-L262 PolarHBondContact O-N 2.91Å; W259-Q263 VanDerWaalsContact CD1-OE1 3.26Å; W259-Q263 PolarHBondContact O-N 2.87Å |
| 260 | E | 87.7 | Confident | 83.1 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 15% | 0.154 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -33.4 | 178.2 | -74.6 | -82.3 | -163.3 | 0 | 0 | 112.2 | K132 C134 G256 Q263 W264 | K132-E260 WeakPolarHBondContact CE-OE1 3.34Å; K132-E260 WeakPolarHBondContact CE-OE2 3.48Å; K132-E260 VanDerWaalsContact NZ-CD 3.31Å; K132-E260 IonicContact NZ-OE1 2.61Å; K132-E260 PolarHBondContact NZ-OE1 3.07Å; K132-E260 IonicContact NZ-OE2 3.5Å; K132-E260 PolarHBondContact NZ-OE2 2.85Å; C134-E260 HydrophobicContact CB-CG 4.45Å; G256-E260 WeakPolarHBondContact O-CB 3.39Å; G256-E260 VanDerWaalsContact O-CG 3.23Å; G256-E260 WeakPolarHBondContact O-CG 3.23Å; G256-E260 PolarHBondContact O-N 3.49Å; E260-Q263 PolarHBondContact O-N 3.48Å; E260-Q263 PolarHBondContact OE2-OE1 3.37Å; E260-W264 WeakPolarHBondContact O-CB 3.38Å; E260-W264 VanDerWaalsContact O-CD1 3.25Å; E260-W264 PolarHBondContact O-N 2.75Å |
| 261 | L | 89.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58 | -44.4 | 169.8 | 170.8 | 63.5 | 0 | 0 | 0 | 112.9 | R257 W259 L265 I285 L296 I373 F375 L401 | R257-L261 PolarHBondContact O-N 3.34Å; R257-L261 VanDerWaalsContact O-N 3.1Å; W259-L261 PolarHBondContact O-N 3.21Å; L261-L265 HydrophobicContact CD1-CD1 4.42Å; L261-L265 HydrophobicContact CG-CD1 4.5Å; L261-L265 WeakPolarHBondContact O-CG 3.24Å; L261-L265 PolarHBondContact O-N 3.27Å; L261-L265 VanDerWaalsContact O-N 3.1Å; L261-I285 HydrophobicContact CD1-CD1 4.04Å; L261-I285 HydrophobicContact CD1-CG1 4.25Å; L261-I285 HydrophobicContact CD1-CG2 4.22Å; L261-I285 HydrophobicContact CD2-CG2 4.4Å; L261-L296 HydrophobicContact CD2-CD1 3.56Å; L261-L296 HydrophobicContact CD2-CD2 3.77Å; L261-L296 HydrophobicContact CD2-CG 4.12Å; L261-I373 HydrophobicContact CD1-CB 4.5Å; L261-I373 HydrophobicContact CD1-CD1 3.41Å; L261-I373 VanDerWaalsContact CD1-CD1 3.41Å; L261-I373 HydrophobicContact CD1-CG2 4.19Å; L261-F375 HydrophobicContact CD2-CD2 4.15Å; L261-F375 HydrophobicContact CD2-CE2 4.38Å; L261-L401 HydrophobicContact CB-CD1 4.1Å |
| 262 | L | 87.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.2 | -39 | 178.4 | -66.7 | 172.8 | 0 | 0 | 0 | 111.3 | L250 A258 W259 L265 V266 L300 V303 F311 | L250-L262 HydrophobicContact CD2-CD1 4.32Å; A258-L262 PolarHBondContact O-N 3.22Å; W259-L262 HydrophobicContact CE3-CD1 4.23Å; W259-L262 HydrophobicContact CZ3-CD1 4.42Å; W259-L262 WeakPolarHBondContact O-CB 3.29Å; W259-L262 PolarHBondContact O-N 2.91Å; L262-L265 PolarHBondContact O-N 2.77Å; L262-V266 WeakPolarHBondContact O-CG2 3.12Å; L262-V266 PolarHBondContact O-N 3.27Å; L262-L300 HydrophobicContact CD2-CD2 3.74Å; L262-V303 HydrophobicContact CD1-CG2 4.27Å; L262-V303 HydrophobicContact CD2-CG1 4.38Å; L262-V303 HydrophobicContact CD2-CG2 4.4Å; L262-F311 HydrophobicContact CB-CE1 4.46Å; L262-F311 HydrophobicContact CD2-CE1 4.26Å |
| 263 | Q | 86.6 | Confident | 78.2 | Confident | 85 Ų | 85 | 48.3 Ų | 48.3 | 40% | 0.397 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.6 | -64.6 | -176.9 | -67.4 | 0 | 0 | 111.6 | W259 E260 L265 V266 E267 | W259-Q263 VanDerWaalsContact CD1-OE1 3.26Å; W259-Q263 PolarHBondContact O-N 2.87Å; E260-Q263 PolarHBondContact O-N 3.48Å; E260-Q263 PolarHBondContact OE2-OE1 3.37Å; Q263-L265 VanDerWaalsContact C-N 3.32Å; Q263-L265 PolarHBondContact O-N 3.04Å; Q263-V266 PolarHBondContact O-N 3.27Å; Q263-E267 PolarHBondContact O-N 2.98Å |
| 264 | W | 85.1 | Confident | 76.1 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 174.9 | -91.1 | 116.3 | 0 | 0 | 0 | 113.4 | L130 E260 Y268 F371 I373 V399 | L130-W264 HydrophobicContact CD1-CH2 3.8Å; L130-W264 HydrophobicContact CD1-CZ2 4.4Å; L130-W264 HydrophobicContact CD1-CZ3 4.49Å; E260-W264 WeakPolarHBondContact O-CB 3.38Å; E260-W264 VanDerWaalsContact O-CD1 3.25Å; E260-W264 PolarHBondContact O-N 2.75Å; W264-Y268 HydrophobicContact CE3-CD2 4.1Å; W264-Y268 AromaticContact CE3-CE2 3.79Å; W264-Y268 HydrophobicContact CE3-CE2 3.79Å; W264-Y268 AromaticContact CZ3-CE2 3.8Å; W264-Y268 HydrophobicContact CZ3-CE2 3.8Å; W264-Y268 PolarHBondContact O-N 3.01Å; W264-F371 HydrophobicContact CB-CZ 4.17Å; W264-I373 HydrophobicContact CB-CD1 4.11Å; W264-V399 HydrophobicContact CD2-CG2 4.43Å; W264-V399 HydrophobicContact CZ2-CG1 4.26Å; W264-V399 HydrophobicContact CZ2-CG2 4.46Å |
| 265 | L | 84.1 | Confident | 74 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 173.4 | -77.2 | 166.1 | 0 | 0 | 0 | 111.6 | L261 L262 Q263 E267 Y268 G269 I285 L300 Y313 V353 F371 | L261-L265 HydrophobicContact CD1-CD1 4.42Å; L261-L265 HydrophobicContact CG-CD1 4.5Å; L261-L265 WeakPolarHBondContact O-CG 3.24Å; L261-L265 PolarHBondContact O-N 3.27Å; L261-L265 VanDerWaalsContact O-N 3.1Å; L262-L265 PolarHBondContact O-N 2.77Å; Q263-L265 VanDerWaalsContact C-N 3.32Å; Q263-L265 PolarHBondContact O-N 3.04Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-Y268 PolarHBondContact O-N 2.78Å; L265-G269 PolarHBondContact O-N 2.91Å; L265-I285 HydrophobicContact CD1-CD1 4.42Å; L265-L300 HydrophobicContact CD1-CD2 3.52Å; L265-Y313 PolarHBondContact O-OH 3.19Å; L265-V353 HydrophobicContact CD2-CG2 4.47Å; L265-F371 HydrophobicContact CD2-CE1 4.18Å |
| 266 | V | 82.1 | Confident | 72.2 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | L262 Q263 G269 K270 M310 F311 Y313 | L262-V266 WeakPolarHBondContact O-CG2 3.12Å; L262-V266 PolarHBondContact O-N 3.27Å; Q263-V266 PolarHBondContact O-N 3.27Å; V266-G269 PolarHBondContact O-N 3.34Å; V266-K270 HydrophobicContact CG1-CD 4.21Å; V266-K270 WeakPolarHBondContact O-CG 3.46Å; V266-K270 PolarHBondContact O-N 3.11Å; V266-M310 HydrophobicContact CG1-CE 3.9Å; V266-M310 HydrophobicContact CG2-CE 4.01Å; V266-F311 HydrophobicContact CG2-CD1 4.25Å; V266-F311 HydrophobicContact CG2-CE1 3.46Å; V266-F311 VanDerWaalsContact CG2-CE1 3.46Å; V266-F311 HydrophobicContact CG2-CE2 4.28Å; V266-F311 HydrophobicContact CG2-CZ 3.47Å; V266-F311 VanDerWaalsContact CG2-CZ 3.47Å; V266-Y313 WeakPolarHBondContact CA-OH 3.28Å; V266-Y313 PolarHBondContact N-OH 3.04Å |
| 267 | E | 78 | Confident | 70.7 | Confident | 123 Ų | 123 | 68.5 Ų | 68.5 | 58% | 0.575 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.2 | -47.3 | 176.7 | -168.7 | 176.6 | 163.6 | 0 | 0 | 111.5 | Q263 L265 G269 K270 | Q263-E267 PolarHBondContact O-N 2.98Å; L265-E267 VanDerWaalsContact C-N 3.34Å; E267-G269 VanDerWaalsContact C-N 3.31Å; E267-G269 PolarHBondContact O-N 3.35Å; E267-K270 PolarHBondContact O-N 2.66Å |
| 268 | Y | 73.9 | Confident | 69 | Low | 71 Ų | 71 | 73.3 Ų | 73.3 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -73.8 | -19.6 | 176.4 | -85.2 | -100.4 | 0 | 0 | 0 | 114 | W264 L265 F371 S397 | W264-Y268 HydrophobicContact CE3-CD2 4.1Å; W264-Y268 AromaticContact CE3-CE2 3.79Å; W264-Y268 HydrophobicContact CE3-CE2 3.79Å; W264-Y268 AromaticContact CZ3-CE2 3.8Å; W264-Y268 HydrophobicContact CZ3-CE2 3.8Å; W264-Y268 PolarHBondContact O-N 3.01Å; L265-Y268 PolarHBondContact O-N 2.78Å; Y268-F371 HydrophobicContact CD1-CB 4.5Å; Y268-F371 AromaticContact CD1-CD2 3.79Å; Y268-F371 HydrophobicContact CD1-CD2 3.79Å; Y268-F371 HydrophobicContact CD1-CE2 4.07Å; Y268-F371 HydrophobicContact CD1-CG 4.16Å; Y268-F371 AromaticContact CD2-CD2 3.94Å; Y268-F371 HydrophobicContact CD2-CD2 3.94Å; Y268-F371 HydrophobicContact CD2-CE1 4.36Å; Y268-F371 AromaticContact CD2-CE2 3.33Å; Y268-F371 HydrophobicContact CD2-CE2 3.33Å; Y268-F371 AromaticContact CD2-CZ 3.53Å; Y268-F371 HydrophobicContact CD2-CZ 3.53Å; Y268-F371 AromaticContact CE1-CD2 3.75Å; Y268-F371 HydrophobicContact CE1-CD2 3.75Å; Y268-F371 HydrophobicContact CE1-CE2 4.07Å; Y268-F371 HydrophobicContact CE1-CG 4.47Å; Y268-F371 AromaticContact CE2-CD2 3.91Å; Y268-F371 HydrophobicContact CE2-CD2 3.91Å; Y268-F371 AromaticContact CE2-CE2 3.35Å; Y268-F371 HydrophobicContact CE2-CE2 3.35Å; Y268-F371 HydrophobicContact CE2-CZ 4.01Å; Y268-F371 HydrophobicContact CG-CD1 4.49Å; Y268-F371 AromaticContact CG-CD2 3.9Å; Y268-F371 HydrophobicContact CG-CD2 3.9Å; Y268-F371 HydrophobicContact CG-CE1 4.3Å; Y268-F371 AromaticContact CG-CE2 3.72Å; Y268-F371 HydrophobicContact CG-CE2 3.72Å; Y268-F371 HydrophobicContact CG-CG 4.28Å; Y268-F371 AromaticContact CG-CZ 3.89Å; Y268-F371 HydrophobicContact CG-CZ 3.89Å; Y268-F371 AromaticContact CZ-CD2 3.83Å; Y268-F371 AromaticContact CZ-CE2 3.75Å; Y268-S397 WeakPolarHBondContact OH-CB 3.48Å; Y268-S397 PolarHBondContact OH-OG 2.91Å |
| 269 | G | 67 | Low | 67.4 | Low | 14 Ų | 14 | 77.6 Ų | 77.6 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -75.6 | -21.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L265 V266 E267 | L265-G269 PolarHBondContact O-N 2.91Å; V266-G269 PolarHBondContact O-N 3.34Å; E267-G269 VanDerWaalsContact C-N 3.31Å; E267-G269 PolarHBondContact O-N 3.35Å |
| 270 | K | 62 | Low | 66.5 | Low | 156 Ų | 156 | 82.2 Ų | 82.2 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 12.2 | -175.2 | -75.4 | -179.3 | 175.1 | -173.8 | 0 | 114.7 | V266 E267 | V266-K270 HydrophobicContact CG1-CD 4.21Å; V266-K270 WeakPolarHBondContact O-CG 3.46Å; V266-K270 PolarHBondContact O-N 3.11Å; E267-K270 PolarHBondContact O-N 2.66Å |
| 271 | G | 55.2 | Low | 66 | Low | 52 Ų | 52 | 81.6 Ų | 81.6 | 54% | 0.536 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -63.7 | 133.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | H273 | G271-H273 PolarHBondContact O-N 2.9Š|
| 272 | D | 44.9 | Very low | 65.8 | Low | 130 Ų | 130 | 82.1 Ų | 82.1 | 70% | 0.695 | 42% | 0.422 | S | S | * | . | trans | -52.1 | 132.1 | -169.9 | -81.9 | -58.4 | 0 | 0 | 0 | 114.1 | Q274 S275 | D272-Q274 PolarHBondContact O-N 3.49Å; D272-S275 PolarHBondContact O-N 3.27Å; D272-S275 PolarHBondContact O-OG 3.03Å | ||
| 273 | H | 47.2 | Very low | 65.7 | Low | 183 Ų | 183 | 81.9 Ų | 81.9 | 85% | 0.847 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 20.5 | 172.9 | -65.7 | -41.6 | 0 | 0 | 0 | 114.4 | G271 | G271-H273 PolarHBondContact O-N 2.9Š|
| 274 | Q | 44.6 | Very low | 65.8 | Low | 186 Ų | 186 | 77.9 Ų | 77.9 | 87% | 0.869 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -3.9 | 179.4 | -62.8 | -169.6 | -5.1 | 0 | 0 | 113.7 | D272 | D272-Q274 PolarHBondContact O-N 3.49Š|
| 275 | S | 42.5 | Very low | 66.1 | Low | 68 Ų | 68 | 76.4 Ų | 76.4 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -84.7 | 160.8 | 173 | 61 | 0 | 0 | 0 | 0 | 112.2 | D272 D279 | D272-S275 PolarHBondContact O-N 3.27Å; D272-S275 PolarHBondContact O-OG 3.03Å; S275-D279 WeakPolarHBondContact CB-OD2 3.31Å; S275-D279 PolarHBondContact OG-OD2 3.44Å |
| 276 | S | 50.4 | Low | 66.3 | Low | 70 Ų | 70 | 76.5 Ų | 76.5 | 49% | 0.49 | 40% | 0.397 | S | S | . | . | trans | -64.4 | 162.4 | -169 | 74.4 | 0 | 0 | 0 | 0 | 113.7 | N278 D279 | S276-N278 PolarHBondContact O-N 3.09Å; S276-D279 PolarHBondContact O-N 2.7Å | ||
| 277 | E | 51.7 | Low | 66.6 | Low | 151 Ų | 151 | 75.5 Ų | 75.5 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -50.8 | -22.7 | 178.7 | -71.5 | -141.6 | 96.5 | 0 | 0 | 115.5 | D279 K280 | E277-D279 PolarHBondContact O-N 2.72Å; E277-K280 IonicContact OE1-NZ 3.61Å; E277-K280 PolarHBondContact OE1-NZ 3.02Å |
| 278 | N | 51.5 | Low | 66.8 | Low | 122 Ų | 122 | 75.3 Ų | 75.3 | 65% | 0.652 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -62.7 | -22.6 | 177 | -73.3 | -55.7 | 0 | 0 | 0 | 113.9 | S276 K393 | S276-N278 PolarHBondContact O-N 3.09Å; N278-K393 PolarHBondContact O-NZ 2.79Å |
| 279 | D | 56.3 | Low | 67.3 | Low | 90 Ų | 90 | 75.9 Ų | 75.9 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -89.5 | -13 | -170 | -65.2 | -43.1 | 0 | 0 | 0 | 114.3 | S275 S276 E277 L281 N370 | S275-D279 WeakPolarHBondContact CB-OD2 3.31Å; S275-D279 PolarHBondContact OG-OD2 3.44Å; S276-D279 PolarHBondContact O-N 2.7Å; E277-D279 PolarHBondContact O-N 2.72Å; D279-L281 PolarHBondContact O-N 3.04Å; D279-N370 PolarHBondContact O-ND2 2.8Å |
| 280 | K | 68.7 | Low | 67.9 | Low | 135 Ų | 135 | 80.9 Ų | 80.9 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -44.9 | 127.2 | 175.6 | -69.9 | 173.5 | 178 | 173.2 | 0 | 111.4 | E277 C282 K393 | E277-K280 IonicContact OE1-NZ 3.61Å; E277-K280 PolarHBondContact OE1-NZ 3.02Å; K280-C282 PolarHBondContact O-N 3.24Å; K280-K393 PolarHBondContact O-NZ 3.45Å |
| 281 | L | 77.9 | Confident | 68.9 | Low | 20 Ų | 20 | 75.7 Ų | 75.7 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | trans | -53 | 129.9 | -176 | 177.7 | 61 | 0 | 0 | 0 | 111.2 | D279 Y313 N352 V353 F371 | D279-L281 PolarHBondContact O-N 3.04Å; L281-Y313 HydrophobicContact CD2-CD2 4.06Å; L281-Y313 HydrophobicContact CD2-CE2 3.85Å; L281-N352 WeakPolarHBondContact O-CB 3.46Å; L281-V353 HydrophobicContact CD2-CG2 3.94Å; L281-V353 HydrophobicContact CG-CG2 4.31Å; L281-F371 HydrophobicContact CD1-CB 3.99Å; L281-F371 HydrophobicContact CD1-CD1 4.08Å; L281-F371 HydrophobicContact CD1-CG 4.34Å | ||
| 282 | C | 84.6 | Confident | 70.4 | Confident | 11 Ų | 11 | 73.2 Ų | 73.2 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | trans | -139.5 | 96.9 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | K280 N352 C369 N370 F371 | K280-C282 PolarHBondContact O-N 3.24Å; C282-N352 WeakPolarHBondContact CA-O 3.31Å; C282-C369 WeakPolarHBondContact O-CA 3.45Å; C282-C369 WeakPolarHBondContact O-CB 3.26Å; C282-N370 PolarHBondContact N-OD1 3.4Å; C282-N370 PolarHBondContact O-N 2.79Å; C282-N370 PolarHBondContact O-OD1 3.18Å; C282-N370 VanDerWaalsContact O-OD1 3.12Å; C282-F371 PolarHBondContact O-N 3.13Å | ||
| 283 | G | 85.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N352 V353 L354 F371 | G283-N352 PolarHBondContact N-O 3.44Å; G283-V353 WeakPolarHBondContact O-CA 3.17Å; G283-L354 PolarHBondContact O-N 3.24Å; G283-F371 CarbonylContact C-O 3.57Å; G283-F371 VanDerWaalsContact CA-O 3.26Å; G283-F371 WeakPolarHBondContact CA-O 2.86Å |
| 284 | I | 88.8 | Confident | 74.3 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.2 | 167.8 | -59.2 | 178 | 0 | 0 | 0 | 109.9 | L286 F346 L354 A356 W361 T366 F371 V372 I373 L390 | I284-L286 HydrophobicContact CG2-CD2 3.69Å; I284-L286 HydrophobicContact CG2-CG 4.08Å; I284-F346 HydrophobicContact CD1-CE1 4.46Å; I284-F346 HydrophobicContact CD1-CZ 4.43Å; I284-F346 HydrophobicContact CG1-CZ 4.03Å; I284-L354 WeakPolarHBondContact CA-O 3.46Å; I284-A356 HydrophobicContact CG2-CB 4.47Å; I284-W361 HydrophobicContact CG2-CZ2 4.36Å; I284-T366 HydrophobicContact CD1-CG2 4.29Å; I284-F371 PolarHBondContact N-O 2.87Å; I284-V372 WeakPolarHBondContact O-CA 3.48Å; I284-I373 PolarHBondContact O-N 2.74Å; I284-L390 HydrophobicContact CD1-CD1 4.35Å; I284-L390 HydrophobicContact CD1-CD2 4.43Å |
| 285 | I | 90.5 | Very high | 76.4 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.5 | 175.9 | -57.5 | 164 | 0 | 0 | 0 | 108.5 | L261 L265 L296 L300 V353 L354 V355 A356 | L261-I285 HydrophobicContact CD1-CD1 4.04Å; L261-I285 HydrophobicContact CD1-CG1 4.25Å; L261-I285 HydrophobicContact CD1-CG2 4.22Å; L261-I285 HydrophobicContact CD2-CG2 4.4Å; L265-I285 HydrophobicContact CD1-CD1 4.42Å; I285-L296 HydrophobicContact CG2-CD2 3.8Å; I285-L300 HydrophobicContact CD1-CD1 3.99Å; I285-V353 HydrophobicContact CD1-CG1 3.71Å; I285-V353 HydrophobicContact CG1-CG1 4.33Å; I285-L354 PolarHBondContact N-O 2.9Å; I285-V355 HydrophobicContact CD1-CG2 4.31Å; I285-A356 PolarHBondContact O-N 2.99Å |
| 286 | L | 89.1 | Confident | 78.6 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.4 | -173.5 | -64.8 | 177.5 | 0 | 0 | 0 | 112.1 | I284 A356 W361 V372 I373 R374 F375 L390 | I284-L286 HydrophobicContact CG2-CD2 3.69Å; I284-L286 HydrophobicContact CG2-CG 4.08Å; L286-A356 WeakPolarHBondContact CA-O 3.38Å; L286-A356 HydrophobicContact CD2-CB 4.43Å; L286-W361 VanDerWaalsContact CD2-NE1 3.27Å; L286-V372 HydrophobicContact CD1-CG1 4.06Å; L286-V372 HydrophobicContact CG-CG1 4.49Å; L286-I373 PolarHBondContact N-O 3.08Å; L286-R374 HydrophobicContact CB-CG 4.21Å; L286-R374 HydrophobicContact CD1-CG 4.21Å; L286-F375 WeakPolarHBondContact O-CB 3.01Å; L286-F375 PolarHBondContact O-N 3.5Å; L286-L390 HydrophobicContact CD1-CD1 4.12Å; L286-L390 HydrophobicContact CD2-CD1 4.37Å |
| 287 | V | 88.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 150.6 | -178.7 | -60 | 0 | 0 | 0 | 0 | 112.3 | I292 A293 L296 V355 A356 T357 C358 F375 | V287-I292 HydrophobicContact CB-CG2 4.16Å; V287-I292 HydrophobicContact CG1-CG2 4.16Å; V287-A293 HydrophobicContact CG2-CB 3.64Å; V287-L296 HydrophobicContact CG1-CD2 3.89Å; V287-V355 HydrophobicContact CG1-CG1 4.43Å; V287-V355 HydrophobicContact CG2-CG1 4.49Å; V287-A356 PolarHBondContact N-O 2.93Å; V287-T357 CarbonylContact O-C 3.6Å; V287-T357 WeakPolarHBondContact O-CA 3.27Å; V287-C358 PolarHBondContact O-N 3.19Å; V287-C358 PolarHBondContact O-SG 3.26Å; V287-F375 HydrophobicContact CG1-CB 3.85Å; V287-F375 HydrophobicContact CG1-CD1 4.38Å; V287-F375 HydrophobicContact CG1-CG 4.23Å |
| 288 | R | 83 | Confident | 82.3 | Confident | 119 Ų | 119 | 41 Ų | 41 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -75 | -36.9 | -174.6 | -165.8 | 176.7 | -65.5 | 178.7 | 1.1 | 114 | D376 H377 | R288-D376 HydrophobicContact CB-CB 4.18Å; R288-D376 WeakPolarHBondContact CB-OD2 3.32Å; R288-D376 PolarHBondContact N-OD2 2.98Å; R288-H377 PolarHBondContact NH2-O 3.38Å |
| 289 | K | 82.9 | Confident | 84.1 | Confident | 83 Ų | 83 | 35.2 Ų | 35.2 | 36% | 0.361 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -109.6 | 139.3 | -175 | -63.1 | -170.8 | 174.6 | -171.1 | 0 | 112.5 | D186 Y291 I292 A293 | D186-K289 IonicContact OD1-NZ 3.67Å; D186-K289 PolarHBondContact OD1-NZ 3.43Å; D186-K289 VanDerWaalsContact OD2-CD 3.27Å; D186-K289 WeakPolarHBondContact OD2-CD 3.41Å; D186-K289 IonicContact OD2-NZ 3.73Å; D186-K289 PolarHBondContact OD2-NZ 2.95Å; K289-Y291 PolarHBondContact O-N 2.93Å; K289-I292 HydrophobicContact CB-CB 4.37Å; K289-I292 HydrophobicContact CB-CG1 3.88Å; K289-I292 PolarHBondContact O-N 3Å; K289-A293 PolarHBondContact O-N 2.95Å |
| 290 | R | 79.7 | Confident | 85.7 | Confident | 119 Ų | 119 | 30.9 Ų | 30.9 | 45% | 0.449 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -53.4 | -47.4 | 179.1 | -67.7 | -172.3 | 180 | 131.8 | 1.8 | 112.8 | I292 A293 A320 I321 T357 | R290-I292 VanDerWaalsContact C-N 3.33Å; R290-I292 PolarHBondContact O-N 3.29Å; R290-A293 WeakPolarHBondContact O-CB 3.22Å; R290-A293 PolarHBondContact O-N 2.9Å; R290-A320 HydrophobicContact CB-CB 4.25Å; R290-A320 HydrophobicContact CG-CB 4.05Å; R290-I321 PolarHBondContact NE-O 3.49Å; R290-I321 VanDerWaalsContact NE-O 3.17Å; R290-I321 PolarHBondContact NH2-O 3.31Å; R290-T357 HydrophobicContact CB-CG2 4.33Å; R290-T357 HydrophobicContact CG-CG2 3.99Å |
| 291 | Y | 82.6 | Confident | 86.6 | Confident | 47 Ų | 47 | 26.4 Ų | 26.4 | 18% | 0.184 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.1 | -34.1 | -176.8 | -163 | -100.8 | 0 | 0 | 0 | 112.8 | K183 V187 V199 Q203 K289 A293 Y294 V295 | K183-Y291 HydrophobicContact CB-CD1 4.08Å; K183-Y291 HydrophobicContact CB-CE1 3.89Å; K183-Y291 HydrophobicContact CD-CD2 4.2Å; K183-Y291 HydrophobicContact CD-CE2 4.05Å; K183-Y291 HydrophobicContact CG-CD1 4.12Å; K183-Y291 HydrophobicContact CG-CD2 4.29Å; K183-Y291 HydrophobicContact CG-CE1 4.25Å; K183-Y291 HydrophobicContact CG-CE2 4.4Å; K183-Y291 HydrophobicContact CG-CG 4.14Å; V187-Y291 HydrophobicContact CG2-CD1 3.95Å; V187-Y291 HydrophobicContact CG2-CE1 4.08Å; V199-Y291 HydrophobicContact CG1-CE1 3.81Å; V199-Y291 HydrophobicContact CG2-CE1 3.87Å; Q203-Y291 PolarHBondContact NE2-OH 3.49Å; K289-Y291 PolarHBondContact O-N 2.93Å; Y291-A293 VanDerWaalsContact C-N 3.26Å; Y291-A293 PolarHBondContact O-N 2.76Å; Y291-Y294 PolarHBondContact O-N 3.45Å; Y291-V295 HydrophobicContact CD1-CG2 3.68Å; Y291-V295 HydrophobicContact CE1-CG2 3.48Å; Y291-V295 VanDerWaalsContact CE1-CG2 3.48Å; Y291-V295 WeakPolarHBondContact O-CG2 3.18Å; Y291-V295 PolarHBondContact O-N 3.2Å |
| 292 | I | 88.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.3 | -32 | 176.3 | -60.7 | -66 | 0 | 0 | 0 | 111.1 | V187 Q190 L191 V287 K289 R290 V295 L296 | V187-I292 HydrophobicContact CB-CD1 4.47Å; V187-I292 HydrophobicContact CG2-CD1 3.71Å; Q190-I292 HydrophobicContact CB-CD1 4.1Å; L191-I292 HydrophobicContact CD1-CD1 4.41Å; L191-I292 HydrophobicContact CD1-CG2 4.23Å; L191-I292 HydrophobicContact CD2-CG2 4.49Å; L191-I292 HydrophobicContact CG-CG2 4.42Å; V287-I292 HydrophobicContact CB-CG2 4.16Å; V287-I292 HydrophobicContact CG1-CG2 4.16Å; K289-I292 HydrophobicContact CB-CB 4.37Å; K289-I292 HydrophobicContact CB-CG1 3.88Å; K289-I292 PolarHBondContact O-N 3Å; R290-I292 VanDerWaalsContact C-N 3.33Å; R290-I292 PolarHBondContact O-N 3.29Å; I292-V295 PolarHBondContact O-N 2.73Å; I292-L296 WeakPolarHBondContact O-CB 3.21Å; I292-L296 PolarHBondContact O-N 2.88Å |
| 293 | A | 86.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V287 K289 R290 Y291 K297 F318 V355 | V287-A293 HydrophobicContact CG2-CB 3.64Å; K289-A293 PolarHBondContact O-N 2.95Å; R290-A293 WeakPolarHBondContact O-CB 3.22Å; R290-A293 PolarHBondContact O-N 2.9Å; Y291-A293 VanDerWaalsContact C-N 3.26Å; Y291-A293 PolarHBondContact O-N 2.76Å; A293-K297 WeakPolarHBondContact O-CB 3.26Å; A293-K297 PolarHBondContact O-N 3.45Å; A293-F318 HydrophobicContact CB-CB 4.2Å; A293-F318 HydrophobicContact CB-CD2 4.46Å; A293-V355 HydrophobicContact CB-CG1 3.91Å |
| 294 | Y | 86.5 | Confident | 87.2 | Confident | 49 Ų | 49 | 27.6 Ų | 27.6 | 19% | 0.192 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 176 | 169.6 | -100.4 | 0 | 0 | 0 | 112.5 | K202 Y291 L296 K297 M298 F318 | K202-Y294 HydrophobicContact CD-CE1 3.82Å; K202-Y294 PolarHBondContact NZ-OH 3.13Å; Y291-Y294 PolarHBondContact O-N 3.45Å; Y294-L296 VanDerWaalsContact C-N 3.34Å; Y294-L296 PolarHBondContact O-N 2.84Å; Y294-K297 WeakPolarHBondContact O-CB 3.47Å; Y294-K297 PolarHBondContact O-N 3.17Å; Y294-M298 PolarHBondContact O-N 2.79Å; Y294-F318 HydrophobicContact CD2-CD1 4.09Å; Y294-F318 AromaticContact CD2-CE1 3.75Å; Y294-F318 HydrophobicContact CD2-CE1 3.75Å; Y294-F318 HydrophobicContact CD2-CZ 4.13Å |
| 295 | V | 89 | Confident | 87 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.2 | -35.4 | -179.7 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | V187 L191 C195 V199 Y291 I292 M298 L299 | V187-V295 HydrophobicContact CG1-CG1 3.88Å; V187-V295 HydrophobicContact CG2-CB 4.45Å; V187-V295 HydrophobicContact CG2-CG1 4.36Å; V187-V295 HydrophobicContact CG2-CG2 3.99Å; L191-V295 HydrophobicContact CD1-CB 3.97Å; L191-V295 HydrophobicContact CD1-CG1 3.58Å; C195-V295 HydrophobicContact CB-CG1 3.9Å; V199-V295 HydrophobicContact CG2-CB 4.47Å; V199-V295 HydrophobicContact CG2-CG1 4Å; V199-V295 HydrophobicContact CG2-CG2 3.52Å; Y291-V295 HydrophobicContact CD1-CG2 3.68Å; Y291-V295 HydrophobicContact CE1-CG2 3.48Å; Y291-V295 VanDerWaalsContact CE1-CG2 3.48Å; Y291-V295 WeakPolarHBondContact O-CG2 3.18Å; Y291-V295 PolarHBondContact O-N 3.2Å; I292-V295 PolarHBondContact O-N 2.73Å; V295-M298 HydrophobicContact CG1-CE 3.95Å; V295-M298 WeakPolarHBondContact O-CB 3.41Å; V295-M298 PolarHBondContact O-N 3.39Å; V295-L299 PolarHBondContact O-N 2.95Å |
| 296 | L | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.5 | -37.1 | 175.1 | -171 | 64.7 | 0 | 0 | 0 | 111.9 | L191 L261 I285 V287 I292 Y294 M298 L299 L300 V355 | L191-L296 HydrophobicContact CD1-CB 4.47Å; L191-L296 HydrophobicContact CD2-CD1 3.97Å; L261-L296 HydrophobicContact CD2-CD1 3.56Å; L261-L296 HydrophobicContact CD2-CD2 3.77Å; L261-L296 HydrophobicContact CD2-CG 4.12Å; I285-L296 HydrophobicContact CG2-CD2 3.8Å; V287-L296 HydrophobicContact CG1-CD2 3.89Å; I292-L296 WeakPolarHBondContact O-CB 3.21Å; I292-L296 PolarHBondContact O-N 2.88Å; Y294-L296 VanDerWaalsContact C-N 3.34Å; Y294-L296 PolarHBondContact O-N 2.84Å; L296-M298 VanDerWaalsContact C-N 3.31Å; L296-M298 PolarHBondContact O-N 3.35Å; L296-L299 HydrophobicContact CD1-CD2 3.98Å; L296-L299 PolarHBondContact O-N 3.35Å; L296-L300 WeakPolarHBondContact O-CB 3.44Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 3.35Å; L296-V355 HydrophobicContact CB-CG1 4.26Å; L296-V355 HydrophobicContact CD2-CG1 3.9Å; L296-V355 HydrophobicContact CG-CG1 4.42Å |
| 297 | K | 90 | Very high | 86.5 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | 168.7 | -178.2 | -88.3 | 168.6 | 119.2 | 0 | 111.9 | A293 Y294 K301 T316 D317 F318 | A293-K297 WeakPolarHBondContact O-CB 3.26Å; A293-K297 PolarHBondContact O-N 3.45Å; Y294-K297 WeakPolarHBondContact O-CB 3.47Å; Y294-K297 PolarHBondContact O-N 3.17Å; K297-K301 PolarHBondContact O-N 2.89Å; K297-T316 WeakPolarHBondContact CE-O 3.32Å; K297-D317 VanDerWaalsContact CE-OD1 3.3Å; K297-D317 WeakPolarHBondContact CE-OD1 3.3Å; K297-D317 VanDerWaalsContact NZ-CG 3.27Å; K297-D317 IonicContact NZ-OD1 3.63Å; K297-D317 PolarHBondContact NZ-OD1 2.6Å; K297-D317 IonicContact NZ-OD2 2.79Å; K297-D317 PolarHBondContact NZ-OD2 2.73Å; K297-F318 HydrophobicContact CB-CB 4.1Å; K297-F318 HydrophobicContact CG-CB 4.4Å; K297-F318 HydrophobicContact CG-CD1 4.47Å |
| 298 | M | 88.3 | Confident | 86.2 | Confident | 35 Ų | 35 | 40 Ų | 40 | 17% | 0.172 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 175.2 | 178.5 | -178.8 | 64.2 | 0 | 0 | 112 | K198 Y294 V295 L296 L300 K301 T302 | K198-M298 HydrophobicContact CB-CE 3.49Å; K198-M298 VanDerWaalsContact CB-CE 3.49Å; K198-M298 HydrophobicContact CB-SD 4.18Å; K198-M298 HydrophobicContact CG-CE 4.23Å; Y294-M298 PolarHBondContact O-N 2.79Å; V295-M298 HydrophobicContact CG1-CE 3.95Å; V295-M298 WeakPolarHBondContact O-CB 3.41Å; V295-M298 PolarHBondContact O-N 3.39Å; L296-M298 VanDerWaalsContact C-N 3.31Å; L296-M298 PolarHBondContact O-N 3.35Å; M298-L300 PolarHBondContact O-N 3.21Å; M298-K301 PolarHBondContact O-N 2.71Å; M298-T302 PolarHBondContact O-N 3.07Å; M298-T302 PolarHBondContact O-OG1 3.05Å |
| 299 | L | 90.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 174.7 | 179.2 | 65.8 | 0 | 0 | 0 | 111.3 | W194 L250 V295 L296 T302 V303 | W194-L299 HydrophobicContact CE3-CD1 3.7Å; W194-L299 HydrophobicContact CH2-CD1 4.44Å; W194-L299 HydrophobicContact CZ3-CD1 3.57Å; L250-L299 HydrophobicContact CD1-CD1 4.43Å; L250-L299 HydrophobicContact CD2-CD1 4.06Å; V295-L299 PolarHBondContact O-N 2.95Å; L296-L299 HydrophobicContact CD1-CD2 3.98Å; L296-L299 PolarHBondContact O-N 3.35Å; L299-T302 PolarHBondContact O-N 2.85Å; L299-V303 HydrophobicContact CD1-CG2 4.44Å; L299-V303 WeakPolarHBondContact O-CG2 3.28Å; L299-V303 PolarHBondContact O-N 2.86Å |
| 300 | L | 90.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 179.4 | -70.9 | 173.2 | 0 | 0 | 0 | 112.1 | L262 L265 I285 L296 M298 T302 V303 Q304 F314 T316 V355 | L262-L300 HydrophobicContact CD2-CD2 3.74Å; L265-L300 HydrophobicContact CD1-CD2 3.52Å; I285-L300 HydrophobicContact CD1-CD1 3.99Å; L296-L300 WeakPolarHBondContact O-CB 3.44Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 3.35Å; M298-L300 PolarHBondContact O-N 3.21Å; L300-T302 PolarHBondContact O-N 2.91Å; L300-V303 PolarHBondContact O-N 3.46Å; L300-Q304 WeakPolarHBondContact O-CB 3.18Å; L300-Q304 PolarHBondContact O-N 2.79Å; L300-F314 HydrophobicContact CB-CE2 4.19Å; L300-F314 HydrophobicContact CD2-CE2 4.3Å; L300-F314 HydrophobicContact CD2-CZ 4.19Å; L300-T316 HydrophobicContact CB-CG2 3.86Å; L300-T316 HydrophobicContact CD1-CG2 4.31Å; L300-V355 HydrophobicContact CD1-CG2 3.94Å |
| 301 | K | 87.6 | Confident | 85.6 | Confident | 41 Ų | 41 | 36.1 Ų | 36.1 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 173.9 | -115.9 | -146.2 | 173.1 | -146 | 0 | 111.8 | K297 M298 V303 Q304 E305 D1035 E1037 | K297-K301 PolarHBondContact O-N 2.89Å; M298-K301 PolarHBondContact O-N 2.71Å; K301-V303 PolarHBondContact O-N 2.69Å; K301-Q304 WeakPolarHBondContact O-CB 3.29Å; K301-Q304 PolarHBondContact O-N 2.8Å; K301-E305 WeakPolarHBondContact O-CG 3.43Å; K301-E305 PolarHBondContact O-N 3.11Å; K301-D1035 IonicContact NZ-OD1 2.66Å; K301-D1035 PolarHBondContact NZ-OD1 3.4Å; K301-D1035 IonicContact NZ-OD2 3.16Å; K301-D1035 PolarHBondContact NZ-OD2 2.95Å; K301-E1037 IonicContact NZ-OE2 3.28Å; K301-E1037 PolarHBondContact NZ-OE2 3.46Å; K301-E1037 VanDerWaalsContact NZ-OE2 3.11Å |
| 302 | T | 87.5 | Confident | 85.3 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.5 | -31.6 | -179.3 | -61.6 | 0 | 0 | 0 | 0 | 113 | W194 M298 L299 L300 Q304 E305 W306 | W194-T302 HydrophobicContact CH2-CG2 3.69Å; W194-T302 HydrophobicContact CZ2-CG2 3.74Å; M298-T302 PolarHBondContact O-N 3.07Å; M298-T302 PolarHBondContact O-OG1 3.05Å; L299-T302 PolarHBondContact O-N 2.85Å; L300-T302 PolarHBondContact O-N 2.91Å; T302-Q304 VanDerWaalsContact C-N 3.34Å; T302-E305 PolarHBondContact O-N 3.08Å; T302-E305 PolarHBondContact OG1-OE1 2.86Å; T302-W306 HydrophobicContact CG2-CD2 4.08Å; T302-W306 VanDerWaalsContact CG2-CE2 3.48Å; T302-W306 HydrophobicContact CG2-CH2 4.4Å; T302-W306 HydrophobicContact CG2-CZ2 3.68Å; T302-W306 PolarHBondContact O-N 3.09Å; T302-W306 VanDerWaalsContact O-N 3.09Å |
| 303 | V | 87.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 171.2 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | V247 L250 L262 L299 L300 K301 W306 N307 F311 | V247-V303 HydrophobicContact CG2-CG1 4.08Å; L250-V303 HydrophobicContact CD2-CG2 3.54Å; L262-V303 HydrophobicContact CD1-CG2 4.27Å; L262-V303 HydrophobicContact CD2-CG1 4.38Å; L262-V303 HydrophobicContact CD2-CG2 4.4Å; L299-V303 HydrophobicContact CD1-CG2 4.44Å; L299-V303 WeakPolarHBondContact O-CG2 3.28Å; L299-V303 PolarHBondContact O-N 2.86Å; L300-V303 PolarHBondContact O-N 3.46Å; K301-V303 PolarHBondContact O-N 2.69Å; V303-W306 PolarHBondContact O-N 3.07Å; V303-N307 PolarHBondContact O-N 2.86Å; V303-F311 HydrophobicContact CG1-CB 4.37Å; V303-F311 HydrophobicContact CG1-CD1 3.6Å; V303-F311 HydrophobicContact CG1-CD2 3.52Å; V303-F311 HydrophobicContact CG1-CE1 3.65Å; V303-F311 HydrophobicContact CG1-CE2 3.58Å; V303-F311 HydrophobicContact CG1-CG 3.56Å; V303-F311 HydrophobicContact CG1-CZ 3.65Å |
| 304 | Q | 86 | Confident | 84.7 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 20% | 0.201 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 172.9 | -175.5 | 172.4 | 22.9 | 0 | 0 | 112.5 | L300 K301 T302 W306 S308 F311 F314 | L300-Q304 WeakPolarHBondContact O-CB 3.18Å; L300-Q304 PolarHBondContact O-N 2.79Å; K301-Q304 WeakPolarHBondContact O-CB 3.29Å; K301-Q304 PolarHBondContact O-N 2.8Å; T302-Q304 VanDerWaalsContact C-N 3.34Å; Q304-W306 VanDerWaalsContact C-N 3.28Å; Q304-W306 PolarHBondContact O-N 3.26Å; Q304-S308 PolarHBondContact O-N 3.45Å; Q304-F311 HydrophobicContact CB-CB 4.46Å; Q304-F314 PolarHBondContact NE2-O 3.12Å |
| 305 | E | 84.7 | Confident | 84.6 | Confident | 71 Ų | 71 | 38.8 Ų | 38.8 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -32.3 | 171.3 | -72 | 176.2 | -102.9 | 0 | 0 | 113.2 | K301 T302 K1040 | K301-E305 WeakPolarHBondContact O-CG 3.43Å; K301-E305 PolarHBondContact O-N 3.11Å; T302-E305 PolarHBondContact O-N 3.08Å; T302-E305 PolarHBondContact OG1-OE1 2.86Å; E305-K1040 IonicContact OE2-NZ 2.68Å; E305-K1040 PolarHBondContact OE2-NZ 3.43Å |
| 306 | W | 84.8 | Confident | 84.5 | Confident | 69 Ų | 69 | 39.4 Ų | 39.4 | 26% | 0.261 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -86.8 | -28.4 | -175.8 | -69.4 | -4.9 | 0 | 0 | 0 | 114.1 | W194 V244 L250 T302 V303 Q304 | W194-W306 AromaticContact CE2-CH2 3.76Å; W194-W306 AromaticContact CZ2-CH2 3.74Å; W194-W306 HydrophobicContact CZ2-CH2 3.74Å; W194-W306 AromaticContact CZ2-CZ2 3.85Å; W194-W306 HydrophobicContact CZ2-CZ2 3.85Å; W194-W306 AromaticContact NE1-CH2 3.51Å; V244-W306 HydrophobicContact CG1-CH2 4Å; V244-W306 HydrophobicContact CG1-CZ3 4.15Å; V244-W306 WeakPolarHBondContact O-CH2 3.17Å; V244-W306 VanDerWaalsContact O-CZ2 3.31Å; V244-W306 WeakPolarHBondContact O-CZ2 3.43Å; L250-W306 HydrophobicContact CB-CZ3 4.14Å; L250-W306 HydrophobicContact CD1-CH2 4.49Å; L250-W306 HydrophobicContact CD1-CZ3 4.18Å; L250-W306 HydrophobicContact CD2-CZ3 4.08Å; L250-W306 HydrophobicContact CG-CZ3 4.37Å; T302-W306 HydrophobicContact CG2-CD2 4.08Å; T302-W306 VanDerWaalsContact CG2-CE2 3.48Å; T302-W306 HydrophobicContact CG2-CH2 4.4Å; T302-W306 HydrophobicContact CG2-CZ2 3.68Å; T302-W306 PolarHBondContact O-N 3.09Å; T302-W306 VanDerWaalsContact O-N 3.09Å; V303-W306 PolarHBondContact O-N 3.07Å; Q304-W306 VanDerWaalsContact C-N 3.28Å; Q304-W306 PolarHBondContact O-N 3.26Å |
| 307 | N | 83 | Confident | 84.3 | Confident | 47 Ų | 47 | 40.6 Ų | 40.6 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | trans | -150.3 | 81.3 | 178.2 | -169.6 | -27.9 | 0 | 0 | 0 | 110.2 | V247 V303 D309 M310 F311 | V247-N307 HydrophobicContact CG2-CB 4.19Å; V303-N307 PolarHBondContact O-N 2.86Å; N307-D309 PolarHBondContact O-N 3Å; N307-D309 PolarHBondContact OD1-N 3.13Å; N307-M310 HydrophobicContact CB-CB 4.45Å; N307-M310 PolarHBondContact O-N 3.07Å; N307-M310 WeakPolarHBondContact OD1-CB 3.29Å; N307-M310 PolarHBondContact OD1-N 2.85Å; N307-F311 HydrophobicContact CB-CD2 4.22Å; N307-F311 PolarHBondContact O-N 2.88Å; N307-F311 VanDerWaalsContact O-N 3.11Å | ||
| 308 | S | 81.9 | Confident | 84.1 | Confident | 77 Ų | 77 | 40.8 Ų | 40.8 | 54% | 0.538 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.6 | -25.1 | 179.4 | -170.8 | 0 | 0 | 0 | 0 | 112.8 | Q304 G312 | Q304-S308 PolarHBondContact O-N 3.45Å; S308-G312 WeakPolarHBondContact O-CA 3.35Å; S308-G312 PolarHBondContact O-N 2.9Å |
| 309 | D | 77.5 | Confident | 83.8 | Confident | 156 Ų | 156 | 39.4 Ų | 39.4 | 83% | 0.834 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -72.8 | -37.8 | 179.2 | -56.6 | -27.8 | 0 | 0 | 0 | 111.4 | N307 | N307-D309 PolarHBondContact O-N 3Å; N307-D309 PolarHBondContact OD1-N 3.13Å |
| 310 | M | 76.2 | Confident | 82.8 | Confident | 79 Ų | 79 | 39.5 Ų | 39.5 | 39% | 0.389 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -89.2 | -12 | 179 | -73.6 | -168.8 | 59.6 | 0 | 0 | 115.1 | V266 N307 Y313 | V266-M310 HydrophobicContact CG1-CE 3.9Å; V266-M310 HydrophobicContact CG2-CE 4.01Å; N307-M310 HydrophobicContact CB-CB 4.45Å; N307-M310 PolarHBondContact O-N 3.07Å; N307-M310 WeakPolarHBondContact OD1-CB 3.29Å; N307-M310 PolarHBondContact OD1-N 2.85Å; M310-Y313 VanDerWaalsContact O-CE1 3.22Å; M310-Y313 WeakPolarHBondContact O-CE1 3.31Å |
| 311 | F | 80.4 | Confident | 81.4 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -139.5 | 1.7 | -174.7 | -61.3 | -91.4 | 0 | 0 | 0 | 114.2 | V247 L262 V266 V303 Q304 N307 Y313 F314 | V247-F311 HydrophobicContact CG1-CE2 4.16Å; V247-F311 HydrophobicContact CG1-CZ 4.12Å; V247-F311 HydrophobicContact CG2-CE2 4.09Å; L262-F311 HydrophobicContact CB-CE1 4.46Å; L262-F311 HydrophobicContact CD2-CE1 4.26Å; V266-F311 HydrophobicContact CG2-CD1 4.25Å; V266-F311 HydrophobicContact CG2-CE1 3.46Å; V266-F311 VanDerWaalsContact CG2-CE1 3.46Å; V266-F311 HydrophobicContact CG2-CE2 4.28Å; V266-F311 HydrophobicContact CG2-CZ 3.47Å; V266-F311 VanDerWaalsContact CG2-CZ 3.47Å; V303-F311 HydrophobicContact CG1-CB 4.37Å; V303-F311 HydrophobicContact CG1-CD1 3.6Å; V303-F311 HydrophobicContact CG1-CD2 3.52Å; V303-F311 HydrophobicContact CG1-CE1 3.65Å; V303-F311 HydrophobicContact CG1-CE2 3.58Å; V303-F311 HydrophobicContact CG1-CG 3.56Å; V303-F311 HydrophobicContact CG1-CZ 3.65Å; Q304-F311 HydrophobicContact CB-CB 4.46Å; N307-F311 HydrophobicContact CB-CD2 4.22Å; N307-F311 PolarHBondContact O-N 2.88Å; N307-F311 VanDerWaalsContact O-N 3.11Å; F311-Y313 VanDerWaalsContact C-N 3.34Å; F311-Y313 PolarHBondContact O-N 2.73Å; F311-F314 HydrophobicContact CB-CE1 3.75Å; F311-F314 HydrophobicContact CB-CZ 4.02Å; F311-F314 AromaticContact CD1-CE1 3.83Å; F311-F314 HydrophobicContact CD1-CE1 3.83Å; F311-F314 HydrophobicContact CD1-CZ 4.07Å; F311-F314 HydrophobicContact CG-CE1 4.28Å; F311-F314 VanDerWaalsContact O-CD1 3.25Å; F311-F314 WeakPolarHBondContact O-CD1 3.33Å; F311-F314 WeakPolarHBondContact O-CE1 3.48Å |
| 312 | G | 75.8 | Confident | 80 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 32% | 0.32 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S308 F314 | S308-G312 WeakPolarHBondContact O-CA 3.35Å; S308-G312 PolarHBondContact O-N 2.9Å; G312-F314 PolarHBondContact O-N 2.92Å |
| 313 | Y | 80.1 | Confident | 78 | Confident | 65 Ų | 65 | 52 Ų | 52 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 0.5 | 179.6 | 58.9 | -94.7 | 0 | 0 | 0 | 114.2 | L265 V266 L281 M310 F311 N352 | L265-Y313 PolarHBondContact O-OH 3.19Å; V266-Y313 WeakPolarHBondContact CA-OH 3.28Å; V266-Y313 PolarHBondContact N-OH 3.04Å; L281-Y313 HydrophobicContact CD2-CD2 4.06Å; L281-Y313 HydrophobicContact CD2-CE2 3.85Å; M310-Y313 VanDerWaalsContact O-CE1 3.22Å; M310-Y313 WeakPolarHBondContact O-CE1 3.31Å; F311-Y313 VanDerWaalsContact C-N 3.34Å; F311-Y313 PolarHBondContact O-N 2.73Å; Y313-N352 PolarHBondContact O-ND2 3.01Å |
| 314 | F | 81.5 | Confident | 76 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -127.4 | 149.9 | 174.2 | 68 | -94 | 0 | 0 | 0 | 114.5 | L300 Q304 F311 G312 T316 N352 V353 | L300-F314 HydrophobicContact CB-CE2 4.19Å; L300-F314 HydrophobicContact CD2-CE2 4.3Å; L300-F314 HydrophobicContact CD2-CZ 4.19Å; Q304-F314 PolarHBondContact NE2-O 3.12Å; F311-F314 HydrophobicContact CB-CE1 3.75Å; F311-F314 HydrophobicContact CB-CZ 4.02Å; F311-F314 AromaticContact CD1-CE1 3.83Å; F311-F314 HydrophobicContact CD1-CE1 3.83Å; F311-F314 HydrophobicContact CD1-CZ 4.07Å; F311-F314 HydrophobicContact CG-CE1 4.28Å; F311-F314 VanDerWaalsContact O-CD1 3.25Å; F311-F314 WeakPolarHBondContact O-CD1 3.33Å; F311-F314 WeakPolarHBondContact O-CE1 3.48Å; G312-F314 PolarHBondContact O-N 2.92Å; F314-T316 HydrophobicContact CD2-CG2 4.32Å; F314-T316 HydrophobicContact CE2-CG2 4.21Å; F314-N352 WeakPolarHBondContact CA-OD1 3.37Å; F314-N352 WeakPolarHBondContact CB-OD1 3.29Å; F314-V353 HydrophobicContact CB-CB 4.33Å; F314-V353 HydrophobicContact CB-CG2 3.71Å; F314-V353 HydrophobicContact CD2-CB 4.42Å; F314-V353 HydrophobicContact CD2-CG2 4.47Å; F314-V353 HydrophobicContact CG-CG2 4.22Å | ||
| 315 | T | 84.2 | Confident | 73.8 | Confident | 58 Ų | 58 | 64 Ų | 64 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | trans | -124.7 | 121.6 | 177.7 | 48.5 | 0 | 0 | 0 | 0 | 107.8 | N350 L351 N352 V353 | T315-N350 WeakPolarHBondContact CB-O 3.35Å; T315-N350 PolarHBondContact OG1-O 3.41Å; T315-L351 WeakPolarHBondContact OG1-CA 3.45Å; T315-N352 PolarHBondContact N-OD1 3.31Å; T315-N352 PolarHBondContact O-N 3.31Å; T315-N352 PolarHBondContact O-OD1 2.93Å; T315-N352 PolarHBondContact OG1-N 2.86Å; T315-V353 PolarHBondContact O-N 2.85Å | ||
| 316 | T | 87.1 | Confident | 71.7 | Confident | 12 Ų | 12 | 71 Ų | 71 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137.2 | -167.1 | -168 | 0 | 0 | 0 | 0 | 114.5 | K297 L300 F314 V353 | K297-T316 WeakPolarHBondContact CE-O 3.32Å; L300-T316 HydrophobicContact CB-CG2 3.86Å; L300-T316 HydrophobicContact CD1-CG2 4.31Å; F314-T316 HydrophobicContact CD2-CG2 4.32Å; F314-T316 HydrophobicContact CE2-CG2 4.21Å; T316-V353 WeakPolarHBondContact CA-O 3.38Å; T316-V353 VanDerWaalsContact CB-O 3.24Å; T316-V353 WeakPolarHBondContact CB-O 3.39Å; T316-V353 PolarHBondContact OG1-O 3.34Å |
| 317 | D | 86.8 | Confident | 69.8 | Low | 25 Ų | 25 | 70.5 Ų | 70.5 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 179.8 | 163.2 | -144.4 | -16.1 | 0 | 0 | 0 | 110.9 | K297 V342 L351 V355 | K297-D317 VanDerWaalsContact CE-OD1 3.3Å; K297-D317 WeakPolarHBondContact CE-OD1 3.3Å; K297-D317 VanDerWaalsContact NZ-CG 3.27Å; K297-D317 IonicContact NZ-OD1 3.63Å; K297-D317 PolarHBondContact NZ-OD1 2.6Å; K297-D317 IonicContact NZ-OD2 2.79Å; K297-D317 PolarHBondContact NZ-OD2 2.73Å; D317-V342 HydrophobicContact CB-CG1 4.21Å; D317-V342 HydrophobicContact CB-CG2 4.19Å; D317-L351 HydrophobicContact CB-CD1 3.81Å; D317-L351 HydrophobicContact CB-CD2 4.34Å; D317-V355 PolarHBondContact O-N 3.49Å |
| 318 | F | 85.5 | Confident | 68.1 | Low | 31 Ų | 31 | 78.4 Ų | 78.4 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 155.5 | -176.5 | 81.2 | -77.2 | 0 | 0 | 0 | 114.2 | A293 Y294 K297 A320 V355 | A293-F318 HydrophobicContact CB-CB 4.2Å; A293-F318 HydrophobicContact CB-CD2 4.46Å; Y294-F318 HydrophobicContact CD2-CD1 4.09Å; Y294-F318 AromaticContact CD2-CE1 3.75Å; Y294-F318 HydrophobicContact CD2-CE1 3.75Å; Y294-F318 HydrophobicContact CD2-CZ 4.13Å; K297-F318 HydrophobicContact CB-CB 4.1Å; K297-F318 HydrophobicContact CG-CB 4.4Å; K297-F318 HydrophobicContact CG-CD1 4.47Å; F318-A320 HydrophobicContact CD2-CB 4.44Å; F318-V355 CarbonylContact C-O 3.59Å; F318-V355 WeakPolarHBondContact CA-O 3.15Å; F318-V355 HydrophobicContact CB-CB 4.42Å |
| 319 | F | 81.6 | Confident | 66.5 | Low | 6 Ų | 6 | 78.6 Ų | 78.6 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 132.8 | -178.3 | -177.2 | -100.5 | 0 | 0 | 0 | 112.9 | I321 Q339 L343 L354 V355 A356 T357 W361 L364 | F319-I321 HydrophobicContact CE1-CD1 3.97Å; F319-I321 HydrophobicContact CE1-CG1 3.53Å; F319-I321 HydrophobicContact CZ-CD1 4.05Å; F319-I321 HydrophobicContact CZ-CG1 3.54Å; F319-Q339 HydrophobicContact CD2-CB 4.08Å; F319-Q339 HydrophobicContact CD2-CG 4.05Å; F319-Q339 HydrophobicContact CE2-CB 3.83Å; F319-Q339 HydrophobicContact CE2-CG 4.17Å; F319-L343 HydrophobicContact CD2-CD1 4.16Å; F319-L343 HydrophobicContact CD2-CD2 4.11Å; F319-L343 HydrophobicContact CD2-CG 3.85Å; F319-L343 HydrophobicContact CE2-CD1 3.38Å; F319-L343 HydrophobicContact CE2-CD2 4.07Å; F319-L343 HydrophobicContact CE2-CG 3.6Å; F319-L343 HydrophobicContact CG-CD2 4.39Å; F319-L343 HydrophobicContact CZ-CD1 3.66Å; F319-L343 HydrophobicContact CZ-CD2 4.32Å; F319-L343 HydrophobicContact CZ-CG 4.19Å; F319-L354 HydrophobicContact CB-CD1 4.11Å; F319-L354 HydrophobicContact CB-CD2 4.35Å; F319-L354 HydrophobicContact CB-CG 4.37Å; F319-V355 PolarHBondContact N-O 3.13Å; F319-A356 HydrophobicContact CB-CB 4.33Å; F319-A356 WeakPolarHBondContact O-CA 3.42Å; F319-T357 PolarHBondContact O-N 3.06Å; F319-W361 HydrophobicContact CD1-CH2 4.26Å; F319-W361 HydrophobicContact CD1-CZ2 4.31Å; F319-L364 HydrophobicContact CE1-CD1 3.39Å; F319-L364 HydrophobicContact CE2-CD1 4.49Å; F319-L364 HydrophobicContact CZ-CD1 3.39Å |
| 320 | A | 70 | Confident | 65 | Low | 2 Ų | 2 | 75.4 Ų | 75.4 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | trans | -157.2 | 75.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R290 F318 Q339 T357 | R290-A320 HydrophobicContact CB-CB 4.25Å; R290-A320 HydrophobicContact CG-CB 4.05Å; F318-A320 HydrophobicContact CD2-CB 4.44Å; A320-Q339 PolarHBondContact O-OE1 3.43Å; A320-T357 HydrophobicContact CB-CG2 4.16Å | ||
| 321 | I | 60.5 | Low | 63.6 | Low | 51 Ų | 51 | 75.1 Ų | 75.1 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | trans | -45.6 | 134.3 | -177.8 | -70 | -170 | 0 | 0 | 0 | 115.2 | R290 F319 S360 L364 | R290-I321 PolarHBondContact NE-O 3.49Å; R290-I321 VanDerWaalsContact NE-O 3.17Å; R290-I321 PolarHBondContact NH2-O 3.31Å; F319-I321 HydrophobicContact CE1-CD1 3.97Å; F319-I321 HydrophobicContact CE1-CG1 3.53Å; F319-I321 HydrophobicContact CZ-CD1 4.05Å; F319-I321 HydrophobicContact CZ-CG1 3.54Å; I321-S360 VanDerWaalsContact CD1-CB 3.49Å; I321-S360 WeakPolarHBondContact CD1-O 3.33Å; I321-L364 HydrophobicContact CD1-CD1 3.92Å | ||
| 322 | F | 56.8 | Low | 62.3 | Low | 67 Ų | 67 | 78.2 Ų | 78.2 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | trans | -77.7 | 138.5 | 161.2 | -70.7 | -89.1 | 0 | 0 | 0 | 110.6 | Q335 | F322-Q335 HydrophobicContact CE2-CB 3.95Å; F322-Q335 HydrophobicContact CE2-CG 3.92Å; F322-Q335 HydrophobicContact CZ-CB 4.26Å; F322-Q335 VanDerWaalsContact CZ-CD 3.48Å; F322-Q335 HydrophobicContact CZ-CG 4.25Å | ||
| 323 | R | 46.4 | Very low | 61.2 | Low | 197 Ų | 197 | 78.2 Ų | 78.2 | 74% | 0.743 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -86.4 | -19.2 | -165.4 | -128.8 | -179.7 | -170.6 | -174.5 | 0.1 | 115.1 | ||
| 324 | E | 44.9 | Very low | 60 | Low | 135 Ų | 135 | 77.9 Ų | 77.9 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | trans | -143.5 | 134.1 | 177 | -86.2 | 156 | -128.4 | 0 | 0 | 108.5 | R326 | E324-R326 HydrophobicContact CB-CG 4.44Š| ||
| 325 | Y | 40 | Very low | 59 | Low | 162 Ų | 162 | 81.7 Ų | 81.7 | 64% | 0.635 | 40% | 0.402 | S | S | * | . | trans | -101.7 | 95.2 | 169.1 | -170 | -83.8 | 0 | 0 | 0 | 107.3 | ||||
| 326 | R | 40.7 | Very low | 57.9 | Low | 218 Ų | 218 | 85 Ų | 85 | 82% | 0.823 | 41% | 0.409 | S | S | * | . | trans | -143.4 | 9 | -172 | -75.7 | -170.7 | 165.8 | -169.8 | -6.9 | 114.9 | E324 | E324-R326 HydrophobicContact CB-CG 4.44Š| ||
| 327 | S | 44.8 | Very low | 56.7 | Low | 57 Ų | 57 | 89.3 Ų | 89.3 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | trans | -125.7 | 156.9 | 176.7 | -175 | 0 | 0 | 0 | 0 | 110.4 | D329 | S327-D329 VanDerWaalsContact C-N 3.33Å; S327-D329 WeakPolarHBondContact CB-OD2 3.5Å; S327-D329 VanDerWaalsContact OG-CG 3.27Å; S327-D329 PolarHBondContact OG-N 3Å; S327-D329 PolarHBondContact OG-OD2 3.26Å | ||
| 328 | K | 46.6 | Very low | 55.8 | Low | 214 Ų | 214 | 94 Ų | 94 | 93% | 0.93 | 44% | 0.443 | S | S | * | . | trans | -85.4 | 2.8 | 173.3 | -75 | -169.8 | 173.3 | -170.8 | 0 | 113.7 | S330 | K328-S330 PolarHBondContact O-N 3.34Š| ||
| 329 | D | 48.6 | Very low | 55.2 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 43% | 0.428 | 44% | 0.439 | S | S | . | . | trans | -52.5 | 116.6 | -175.4 | -70.9 | -55.5 | 0 | 0 | 0 | 114.2 | S327 A331 Q332 L333 | S327-D329 VanDerWaalsContact C-N 3.33Å; S327-D329 WeakPolarHBondContact CB-OD2 3.5Å; S327-D329 VanDerWaalsContact OG-CG 3.27Å; S327-D329 PolarHBondContact OG-N 3Å; S327-D329 PolarHBondContact OG-OD2 3.26Å; D329-A331 VanDerWaalsContact C-N 3.29Å; D329-A331 PolarHBondContact O-N 3.32Å; D329-Q332 HydrophobicContact CB-CB 4.05Å; D329-Q332 HydrophobicContact CB-CG 3.72Å; D329-Q332 PolarHBondContact O-N 2.85Å; D329-Q332 PolarHBondContact OD2-NE2 3.26Å; D329-L333 PolarHBondContact O-N 3.4Å | ||
| 330 | S | 45.6 | Very low | 54.4 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 63% | 0.629 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -53.3 | -43.7 | 175 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | K328 Q332 L333 A334 | K328-S330 PolarHBondContact O-N 3.34Å; S330-Q332 VanDerWaalsContact C-N 3.32Å; S330-Q332 PolarHBondContact O-N 3.08Å; S330-L333 WeakPolarHBondContact O-CB 3.47Å; S330-L333 PolarHBondContact O-N 3.09Å; S330-A334 WeakPolarHBondContact O-CB 3.28Å; S330-A334 PolarHBondContact O-N 2.72Å |
| 331 | A | 48.5 | Very low | 54.3 | Low | 72 Ų | 72 | 97.9 Ų | 97.9 | 60% | 0.595 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.2 | -35.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | D329 Q335 | D329-A331 VanDerWaalsContact C-N 3.29Å; D329-A331 PolarHBondContact O-N 3.32Å; A331-Q335 WeakPolarHBondContact O-CB 3.48Å; A331-Q335 PolarHBondContact O-N 2.73Å |
| 332 | Q | 52 | Low | 55 | Low | 69 Ų | 69 | 95.8 Ų | 95.8 | 32% | 0.322 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.5 | -39.5 | 177.1 | -62.7 | -165.3 | 57 | 0 | 0 | 111.1 | D329 S330 Q335 Y336 | D329-Q332 HydrophobicContact CB-CB 4.05Å; D329-Q332 HydrophobicContact CB-CG 3.72Å; D329-Q332 PolarHBondContact O-N 2.85Å; D329-Q332 PolarHBondContact OD2-NE2 3.26Å; S330-Q332 VanDerWaalsContact C-N 3.32Å; S330-Q332 PolarHBondContact O-N 3.08Å; Q332-Q335 PolarHBondContact O-N 3.28Å; Q332-Y336 PolarHBondContact O-N 3.2Å |
| 333 | L | 52.8 | Low | 55.7 | Low | 32 Ų | 32 | 92.8 Ų | 92.8 | 17% | 0.168 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.4 | 175.4 | 67.3 | 0 | 0 | 0 | 112.3 | D329 S330 Q335 Y336 K337 E1597 | D329-L333 PolarHBondContact O-N 3.4Å; S330-L333 WeakPolarHBondContact O-CB 3.47Å; S330-L333 PolarHBondContact O-N 3.09Å; L333-Q335 VanDerWaalsContact C-N 3.32Å; L333-Q335 PolarHBondContact O-N 3.2Å; L333-Y336 WeakPolarHBondContact O-CA 3.48Å; L333-Y336 WeakPolarHBondContact O-CB 3.5Å; L333-Y336 PolarHBondContact O-N 3Å; L333-K337 HydrophobicContact CG-CD 4.48Å; L333-K337 PolarHBondContact O-N 3.18Å; L333-E1597 HydrophobicContact CD2-CG 4.01Å; L333-E1597 WeakPolarHBondContact CD2-OE1 3.36Å |
| 334 | A | 54.7 | Low | 56.7 | Low | 58 Ų | 58 | 89.6 Ų | 89.6 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S330 Y336 K337 R338 | S330-A334 WeakPolarHBondContact O-CB 3.28Å; S330-A334 PolarHBondContact O-N 2.72Å; A334-Y336 VanDerWaalsContact C-N 3.27Å; A334-Y336 PolarHBondContact O-N 3.5Å; A334-K337 PolarHBondContact O-N 3.2Å; A334-R338 WeakPolarHBondContact O-CB 3.04Å; A334-R338 PolarHBondContact O-N 2.98Å; A334-R338 VanDerWaalsContact O-N 3.11Å |
| 335 | Q | 61.2 | Low | 58 | Low | 79 Ų | 79 | 86.8 Ų | 86.8 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.7 | -19.6 | 175.5 | -158.9 | -176.1 | -44.4 | 0 | 0 | 113.2 | F322 A331 Q332 L333 Q339 | F322-Q335 HydrophobicContact CE2-CB 3.95Å; F322-Q335 HydrophobicContact CE2-CG 3.92Å; F322-Q335 HydrophobicContact CZ-CB 4.26Å; F322-Q335 VanDerWaalsContact CZ-CD 3.48Å; F322-Q335 HydrophobicContact CZ-CG 4.25Å; A331-Q335 WeakPolarHBondContact O-CB 3.48Å; A331-Q335 PolarHBondContact O-N 2.73Å; Q332-Q335 PolarHBondContact O-N 3.28Å; L333-Q335 VanDerWaalsContact C-N 3.32Å; L333-Q335 PolarHBondContact O-N 3.2Å; Q335-Q339 WeakPolarHBondContact O-CB 3.22Å; Q335-Q339 WeakPolarHBondContact O-CG 3.5Å; Q335-Q339 PolarHBondContact O-N 3.3Å; Q335-Q339 PolarHBondContact O-NE2 3.07Å |
| 336 | Y | 61 | Low | 59.8 | Low | 129 Ų | 129 | 79.2 Ų | 79.2 | 51% | 0.506 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.1 | -49.7 | 169 | 177 | -98 | 0 | 0 | 0 | 112 | Q332 L333 A334 R338 Q339 E340 | Q332-Y336 PolarHBondContact O-N 3.2Å; L333-Y336 WeakPolarHBondContact O-CA 3.48Å; L333-Y336 WeakPolarHBondContact O-CB 3.5Å; L333-Y336 PolarHBondContact O-N 3Å; A334-Y336 VanDerWaalsContact C-N 3.27Å; A334-Y336 PolarHBondContact O-N 3.5Å; Y336-R338 VanDerWaalsContact C-N 3.33Å; Y336-R338 PolarHBondContact O-N 3.42Å; Y336-Q339 WeakPolarHBondContact O-CA 3.17Å; Y336-Q339 WeakPolarHBondContact O-CB 3.21Å; Y336-Q339 PolarHBondContact O-N 3.42Å; Y336-E340 PolarHBondContact O-N 3.14Å; Y336-E340 VanDerWaalsContact O-N 3.08Å |
| 337 | K | 61.1 | Low | 61.2 | Low | 102 Ų | 102 | 73.2 Ų | 73.2 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -52.5 | -51 | 177.5 | -70.8 | 176.8 | 179.9 | 175.2 | 0 | 110.6 | L333 A334 Q339 E340 D341 E1597 | L333-K337 HydrophobicContact CG-CD 4.48Å; L333-K337 PolarHBondContact O-N 3.18Å; A334-K337 PolarHBondContact O-N 3.2Å; K337-Q339 VanDerWaalsContact C-N 3.28Å; K337-Q339 PolarHBondContact O-N 3Å; K337-E340 PolarHBondContact O-N 2.6Å; K337-D341 PolarHBondContact O-N 2.65Å; K337-D341 VanDerWaalsContact O-N 3.09Å; K337-E1597 WeakPolarHBondContact CE-OE1 3.5Å; K337-E1597 IonicContact NZ-OE1 3.62Å; K337-E1597 PolarHBondContact NZ-OE1 3.48Å |
| 338 | R | 69.3 | Low | 62.2 | Low | 122 Ų | 122 | 77 Ų | 77 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -54.5 | -37.5 | 173.2 | 179.9 | 179 | 179.1 | 150.6 | 10.4 | 114.1 | A334 Y336 D341 V342 | A334-R338 WeakPolarHBondContact O-CB 3.04Å; A334-R338 PolarHBondContact O-N 2.98Å; A334-R338 VanDerWaalsContact O-N 3.11Å; Y336-R338 VanDerWaalsContact C-N 3.33Å; Y336-R338 PolarHBondContact O-N 3.42Å; R338-D341 PolarHBondContact O-N 3.21Å; R338-V342 WeakPolarHBondContact O-CG2 3.47Å; R338-V342 PolarHBondContact O-N 3.49Å |
| 339 | Q | 71.1 | Confident | 63.4 | Low | 13 Ų | 13 | 68.1 Ų | 68.1 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74.2 | -36.7 | -177.4 | -89.9 | -179.6 | 89.6 | 0 | 0 | 112.6 | F319 A320 Q335 Y336 K337 V342 L343 | F319-Q339 HydrophobicContact CD2-CB 4.08Å; F319-Q339 HydrophobicContact CD2-CG 4.05Å; F319-Q339 HydrophobicContact CE2-CB 3.83Å; F319-Q339 HydrophobicContact CE2-CG 4.17Å; A320-Q339 PolarHBondContact O-OE1 3.43Å; Q335-Q339 WeakPolarHBondContact O-CB 3.22Å; Q335-Q339 WeakPolarHBondContact O-CG 3.5Å; Q335-Q339 PolarHBondContact O-N 3.3Å; Q335-Q339 PolarHBondContact O-NE2 3.07Å; Y336-Q339 WeakPolarHBondContact O-CA 3.17Å; Y336-Q339 WeakPolarHBondContact O-CB 3.21Å; Y336-Q339 PolarHBondContact O-N 3.42Å; K337-Q339 VanDerWaalsContact C-N 3.28Å; K337-Q339 PolarHBondContact O-N 3Å; Q339-V342 PolarHBondContact O-N 3.04Å; Q339-L343 WeakPolarHBondContact O-CG 3.23Å; Q339-L343 PolarHBondContact O-N 3.24Å; Q339-L343 VanDerWaalsContact O-N 3.08Å |
| 340 | E | 65.6 | Low | 64.7 | Low | 49 Ų | 49 | 69.8 Ų | 69.8 | 23% | 0.229 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.1 | -31.6 | 172.5 | -172.7 | 55.4 | -155.6 | 0 | 0 | 111.5 | Y336 K337 L343 R344 R347 | Y336-E340 PolarHBondContact O-N 3.14Å; Y336-E340 VanDerWaalsContact O-N 3.08Å; K337-E340 PolarHBondContact O-N 2.6Å; E340-L343 PolarHBondContact O-N 2.8Å; E340-L343 VanDerWaalsContact OE2-CD1 3.25Å; E340-L343 WeakPolarHBondContact OE2-CD1 3.38Å; E340-R344 VanDerWaalsContact O-CB 3.29Å; E340-R344 WeakPolarHBondContact O-CB 3.15Å; E340-R344 PolarHBondContact O-N 2.92Å; E340-R347 IonicContact OE1-CZ 2.62Å; E340-R347 VanDerWaalsContact OE1-CZ 3.25Å; E340-R347 IonicContact OE1-NH1 3.81Å; E340-R347 PolarHBondContact OE1-NH1 3.44Å; E340-R347 IonicContact OE1-NH2 2.97Å; E340-R347 PolarHBondContact OE1-NH2 2.88Å; E340-R347 IonicContact OE2-NH2 2.68Å; E340-R347 PolarHBondContact OE2-NH2 3.2Å |
| 341 | D | 68 | Low | 66.3 | Low | 60 Ų | 60 | 66.5 Ų | 66.5 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 170.7 | -75.6 | -41.2 | 0 | 0 | 0 | 113.2 | K337 R338 R344 K345 | K337-D341 PolarHBondContact O-N 2.65Å; K337-D341 VanDerWaalsContact O-N 3.09Å; R338-D341 PolarHBondContact O-N 3.21Å; D341-R344 PolarHBondContact O-N 3.38Å; D341-R344 IonicContact OD1-CZ 3.49Å; D341-R344 IonicContact OD1-NE 2.71Å; D341-R344 IonicContact OD1-NH1 3.56Å; D341-R344 PolarHBondContact OD1-NH1 3.15Å; D341-R344 VanDerWaalsContact OD1-NH1 3.13Å; D341-R344 IonicContact OD1-NH2 3.06Å; D341-K345 WeakPolarHBondContact O-CB 3.32Å; D341-K345 VanDerWaalsContact O-CG 3.27Å; D341-K345 WeakPolarHBondContact O-CG 3.3Å; D341-K345 PolarHBondContact O-N 3.35Å |
| 342 | V | 74.7 | Confident | 68 | Low | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 171.9 | 166.6 | 0 | 0 | 0 | 0 | 110.7 | D317 R338 Q339 K345 F346 L351 L354 | D317-V342 HydrophobicContact CB-CG1 4.21Å; D317-V342 HydrophobicContact CB-CG2 4.19Å; R338-V342 WeakPolarHBondContact O-CG2 3.47Å; R338-V342 PolarHBondContact O-N 3.49Å; Q339-V342 PolarHBondContact O-N 3.04Å; V342-K345 PolarHBondContact O-N 2.97Å; V342-F346 WeakPolarHBondContact O-CB 3.45Å; V342-F346 PolarHBondContact O-N 3.45Å; V342-L351 HydrophobicContact CG1-CD1 4Å; V342-L354 HydrophobicContact CG1-CD1 3.59Å |
| 343 | L | 71.2 | Confident | 69.7 | Low | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 174.2 | -71.4 | 171.7 | 0 | 0 | 0 | 111.9 | F319 Q339 E340 F346 R347 L354 W361 L364 | F319-L343 HydrophobicContact CD2-CD1 4.16Å; F319-L343 HydrophobicContact CD2-CD2 4.11Å; F319-L343 HydrophobicContact CD2-CG 3.85Å; F319-L343 HydrophobicContact CE2-CD1 3.38Å; F319-L343 HydrophobicContact CE2-CD2 4.07Å; F319-L343 HydrophobicContact CE2-CG 3.6Å; F319-L343 HydrophobicContact CG-CD2 4.39Å; F319-L343 HydrophobicContact CZ-CD1 3.66Å; F319-L343 HydrophobicContact CZ-CD2 4.32Å; F319-L343 HydrophobicContact CZ-CG 4.19Å; Q339-L343 WeakPolarHBondContact O-CG 3.23Å; Q339-L343 PolarHBondContact O-N 3.24Å; Q339-L343 VanDerWaalsContact O-N 3.08Å; E340-L343 PolarHBondContact O-N 2.8Å; E340-L343 VanDerWaalsContact OE2-CD1 3.25Å; E340-L343 WeakPolarHBondContact OE2-CD1 3.38Å; L343-F346 PolarHBondContact O-N 2.71Å; L343-R347 WeakPolarHBondContact O-CG 3.39Å; L343-R347 PolarHBondContact O-N 2.74Å; L343-L354 HydrophobicContact CD2-CD2 4.47Å; L343-W361 HydrophobicContact CD2-CH2 4.35Å; L343-L364 HydrophobicContact CD1-CD1 3.92Å; L343-L364 HydrophobicContact CD1-CD2 3.8Å; L343-L364 HydrophobicContact CD1-CG 4.48Å; L343-L364 HydrophobicContact CD2-CD1 4.41Å |
| 344 | R | 67.4 | Low | 71.4 | Confident | 130 Ų | 130 | 59.6 Ų | 59.6 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 176 | -170.2 | -174 | -64 | 167.8 | -0.9 | 110.6 | E340 D341 F346 R347 H348 | E340-R344 VanDerWaalsContact O-CB 3.29Å; E340-R344 WeakPolarHBondContact O-CB 3.15Å; E340-R344 PolarHBondContact O-N 2.92Å; D341-R344 PolarHBondContact O-N 3.38Å; D341-R344 IonicContact OD1-CZ 3.49Å; D341-R344 IonicContact OD1-NE 2.71Å; D341-R344 IonicContact OD1-NH1 3.56Å; D341-R344 PolarHBondContact OD1-NH1 3.15Å; D341-R344 VanDerWaalsContact OD1-NH1 3.13Å; D341-R344 IonicContact OD1-NH2 3.06Å; R344-F346 VanDerWaalsContact C-N 3.31Å; R344-F346 PolarHBondContact O-N 2.79Å; R344-R347 PolarHBondContact O-N 3.35Å; R344-H348 PolarHBondContact O-N 3.26Å; R344-H348 VanDerWaalsContact O-N 3.09Å; R344-H348 PolarHBondContact O-ND1 3.01Å |
| 345 | K | 72.8 | Confident | 73.1 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 34% | 0.335 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 177.4 | -69.6 | 174.7 | -175.1 | -170.9 | 0 | 111.9 | D341 V342 G349 N350 L351 V1672 | D341-K345 WeakPolarHBondContact O-CB 3.32Å; D341-K345 VanDerWaalsContact O-CG 3.27Å; D341-K345 WeakPolarHBondContact O-CG 3.3Å; D341-K345 PolarHBondContact O-N 3.35Å; V342-K345 PolarHBondContact O-N 2.97Å; K345-G349 PolarHBondContact O-N 3.31Å; K345-N350 HydrophobicContact CB-CB 4.42Å; K345-N350 PolarHBondContact O-N 2.96Å; K345-L351 HydrophobicContact CB-CD1 3.93Å; K345-L351 HydrophobicContact CB-CG 3.96Å; K345-L351 PolarHBondContact O-N 2.84Å; K345-L351 VanDerWaalsContact O-N 3.1Å; K345-V1672 PolarHBondContact NZ-O 3.34Å |
| 346 | F | 78 | Confident | 74.2 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.4 | -39.3 | 173.8 | -173.3 | -103.7 | 0 | 0 | 0 | 114 | I284 V342 L343 R344 G349 L351 L354 T366 K367 | I284-F346 HydrophobicContact CD1-CE1 4.46Å; I284-F346 HydrophobicContact CD1-CZ 4.43Å; I284-F346 HydrophobicContact CG1-CZ 4.03Å; V342-F346 WeakPolarHBondContact O-CB 3.45Å; V342-F346 PolarHBondContact O-N 3.45Å; L343-F346 PolarHBondContact O-N 2.71Å; R344-F346 VanDerWaalsContact C-N 3.31Å; R344-F346 PolarHBondContact O-N 2.79Å; F346-G349 PolarHBondContact O-N 2.94Å; F346-L351 HydrophobicContact CB-CB 4.26Å; F346-L351 HydrophobicContact CD2-CB 4.32Å; F346-L351 WeakPolarHBondContact CD2-O 3.42Å; F346-L354 HydrophobicContact CD1-CD2 4.31Å; F346-L354 HydrophobicContact CD2-CB 3.88Å; F346-L354 HydrophobicContact CE2-CB 3.79Å; F346-L354 HydrophobicContact CG-CB 4.41Å; F346-L354 HydrophobicContact CG-CD2 4.33Å; F346-L354 HydrophobicContact CZ-CB 4.26Å; F346-T366 HydrophobicContact CE1-CG2 4.38Å; F346-K367 HydrophobicContact CE1-CB 4.44Å |
| 347 | R | 70.2 | Confident | 75.3 | Confident | 92 Ų | 92 | 47.3 Ų | 47.3 | 35% | 0.347 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.5 | -71.1 | 178.5 | -158.1 | 132.6 | 10.9 | 110.9 | E340 L343 R344 G349 E365 K367 | E340-R347 IonicContact OE1-CZ 2.62Å; E340-R347 VanDerWaalsContact OE1-CZ 3.25Å; E340-R347 IonicContact OE1-NH1 3.81Å; E340-R347 PolarHBondContact OE1-NH1 3.44Å; E340-R347 IonicContact OE1-NH2 2.97Å; E340-R347 PolarHBondContact OE1-NH2 2.88Å; E340-R347 IonicContact OE2-NH2 2.68Å; E340-R347 PolarHBondContact OE2-NH2 3.2Å; L343-R347 WeakPolarHBondContact O-CG 3.39Å; L343-R347 PolarHBondContact O-N 2.74Å; R344-R347 PolarHBondContact O-N 3.35Å; R347-G349 VanDerWaalsContact C-N 3.34Å; R347-G349 PolarHBondContact O-N 3.02Å; R347-E365 PolarHBondContact NE-O 3.25Å; R347-K367 PolarHBondContact O-NZ 3.04Å |
| 348 | H | 66.6 | Low | 75.5 | Confident | 136 Ų | 136 | 43.9 Ų | 43.9 | 63% | 0.63 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.5 | -38.2 | 176.2 | -67.5 | 84.9 | 0 | 0 | 0 | 111.8 | R344 K367 | R344-H348 PolarHBondContact O-N 3.26Å; R344-H348 VanDerWaalsContact O-N 3.09Å; R344-H348 PolarHBondContact O-ND1 3.01Å; H348-K367 PolarHBondContact O-NZ 3.39Å |
| 349 | G | 70.3 | Confident | 75 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 110 | 5.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K345 F346 R347 L351 | K345-G349 PolarHBondContact O-N 3.31Å; F346-G349 PolarHBondContact O-N 2.94Å; R347-G349 VanDerWaalsContact C-N 3.34Å; R347-G349 PolarHBondContact O-N 3.02Å; G349-L351 CarbonylContact C-O 3.55Å; G349-L351 PolarHBondContact O-N 3.17Å |
| 350 | N | 76.4 | Confident | 74.1 | Confident | 115 Ų | 115 | 40.9 Ų | 40.9 | 62% | 0.615 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -64.9 | -29.8 | 172.5 | -55 | 21.5 | 0 | 0 | 0 | 110.7 | T315 K345 | T315-N350 WeakPolarHBondContact CB-O 3.35Å; T315-N350 PolarHBondContact OG1-O 3.41Å; K345-N350 HydrophobicContact CB-CB 4.42Å; K345-N350 PolarHBondContact O-N 2.96Å |
| 351 | L | 80.3 | Confident | 73.5 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | trans | -103.8 | 135.8 | 160 | -66.4 | 175.5 | 0 | 0 | 0 | 109 | T315 D317 V342 K345 F346 G349 | T315-L351 WeakPolarHBondContact OG1-CA 3.45Å; D317-L351 HydrophobicContact CB-CD1 3.81Å; D317-L351 HydrophobicContact CB-CD2 4.34Å; V342-L351 HydrophobicContact CG1-CD1 4Å; K345-L351 HydrophobicContact CB-CD1 3.93Å; K345-L351 HydrophobicContact CB-CG 3.96Å; K345-L351 PolarHBondContact O-N 2.84Å; K345-L351 VanDerWaalsContact O-N 3.1Å; F346-L351 HydrophobicContact CB-CB 4.26Å; F346-L351 HydrophobicContact CD2-CB 4.32Å; F346-L351 WeakPolarHBondContact CD2-O 3.42Å; G349-L351 CarbonylContact C-O 3.55Å; G349-L351 PolarHBondContact O-N 3.17Å | ||
| 352 | N | 84.2 | Confident | 72.6 | Confident | 27 Ų | 27 | 37.7 Ų | 37.7 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | trans | -123 | -14.3 | -179.8 | 78.9 | -14.8 | 0 | 0 | 0 | 114.6 | L281 C282 G283 Y313 F314 T315 | L281-N352 WeakPolarHBondContact O-CB 3.46Å; C282-N352 WeakPolarHBondContact CA-O 3.31Å; G283-N352 PolarHBondContact N-O 3.44Å; Y313-N352 PolarHBondContact O-ND2 3.01Å; F314-N352 WeakPolarHBondContact CA-OD1 3.37Å; F314-N352 WeakPolarHBondContact CB-OD1 3.29Å; T315-N352 PolarHBondContact N-OD1 3.31Å; T315-N352 PolarHBondContact O-N 3.31Å; T315-N352 PolarHBondContact O-OD1 2.93Å; T315-N352 PolarHBondContact OG1-N 2.86Å | ||
| 353 | V | 87.8 | Confident | 71.5 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 111.5 | 172.3 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | L265 L281 G283 I285 F314 T315 T316 | L265-V353 HydrophobicContact CD2-CG2 4.47Å; L281-V353 HydrophobicContact CD2-CG2 3.94Å; L281-V353 HydrophobicContact CG-CG2 4.31Å; G283-V353 WeakPolarHBondContact O-CA 3.17Å; I285-V353 HydrophobicContact CD1-CG1 3.71Å; I285-V353 HydrophobicContact CG1-CG1 4.33Å; F314-V353 HydrophobicContact CB-CB 4.33Å; F314-V353 HydrophobicContact CB-CG2 3.71Å; F314-V353 HydrophobicContact CD2-CB 4.42Å; F314-V353 HydrophobicContact CD2-CG2 4.47Å; F314-V353 HydrophobicContact CG-CG2 4.22Å; T315-V353 PolarHBondContact O-N 2.85Å; T316-V353 WeakPolarHBondContact CA-O 3.38Å; T316-V353 VanDerWaalsContact CB-O 3.24Å; T316-V353 WeakPolarHBondContact CB-O 3.39Å; T316-V353 PolarHBondContact OG1-O 3.34Å |
| 354 | L | 88.4 | Confident | 70.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.4 | -176.5 | -172.6 | 68 | 0 | 0 | 0 | 111.8 | G283 I284 I285 F319 V342 L343 F346 W361 | G283-L354 PolarHBondContact O-N 3.24Å; I284-L354 WeakPolarHBondContact CA-O 3.46Å; I285-L354 PolarHBondContact N-O 2.9Å; F319-L354 HydrophobicContact CB-CD1 4.11Å; F319-L354 HydrophobicContact CB-CD2 4.35Å; F319-L354 HydrophobicContact CB-CG 4.37Å; V342-L354 HydrophobicContact CG1-CD1 3.59Å; L343-L354 HydrophobicContact CD2-CD2 4.47Å; F346-L354 HydrophobicContact CD1-CD2 4.31Å; F346-L354 HydrophobicContact CD2-CB 3.88Å; F346-L354 HydrophobicContact CE2-CB 3.79Å; F346-L354 HydrophobicContact CG-CB 4.41Å; F346-L354 HydrophobicContact CG-CD2 4.33Å; F346-L354 HydrophobicContact CZ-CB 4.26Å; L354-W361 HydrophobicContact CD2-CH2 3.74Å; L354-W361 HydrophobicContact CD2-CZ2 4.04Å |
| 355 | V | 89.2 | Confident | 69.7 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.3 | 174.1 | -169.8 | 0 | 0 | 0 | 0 | 109.9 | I285 V287 A293 L296 L300 D317 F318 F319 | I285-V355 HydrophobicContact CD1-CG2 4.31Å; V287-V355 HydrophobicContact CG1-CG1 4.43Å; V287-V355 HydrophobicContact CG2-CG1 4.49Å; A293-V355 HydrophobicContact CB-CG1 3.91Å; L296-V355 HydrophobicContact CB-CG1 4.26Å; L296-V355 HydrophobicContact CD2-CG1 3.9Å; L296-V355 HydrophobicContact CG-CG1 4.42Å; L300-V355 HydrophobicContact CD1-CG2 3.94Å; D317-V355 PolarHBondContact O-N 3.49Å; F318-V355 CarbonylContact C-O 3.59Å; F318-V355 WeakPolarHBondContact CA-O 3.15Å; F318-V355 HydrophobicContact CB-CB 4.42Å; F319-V355 PolarHBondContact N-O 3.13Å |
| 356 | A | 85.6 | Confident | 69 | Low | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 156.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I284 I285 L286 V287 F319 W361 | I284-A356 HydrophobicContact CG2-CB 4.47Å; I285-A356 PolarHBondContact O-N 2.99Å; L286-A356 WeakPolarHBondContact CA-O 3.38Å; L286-A356 HydrophobicContact CD2-CB 4.43Å; V287-A356 PolarHBondContact N-O 2.93Å; F319-A356 HydrophobicContact CB-CB 4.33Å; F319-A356 WeakPolarHBondContact O-CA 3.42Å; A356-W361 HydrophobicContact CB-CZ2 3.4Å; A356-W361 VanDerWaalsContact CB-CZ2 3.4Å |
| 357 | T | 83 | Confident | 68.2 | Low | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 151.2 | 179.2 | 57 | 0 | 0 | 0 | 0 | 113.6 | V287 R290 F319 A320 A359 S360 W361 | V287-T357 CarbonylContact O-C 3.6Å; V287-T357 WeakPolarHBondContact O-CA 3.27Å; R290-T357 HydrophobicContact CB-CG2 4.33Å; R290-T357 HydrophobicContact CG-CG2 3.99Å; F319-T357 PolarHBondContact O-N 3.06Å; A320-T357 HydrophobicContact CB-CG2 4.16Å; T357-A359 PolarHBondContact O-N 3.18Å; T357-A359 VanDerWaalsContact O-N 3.09Å; T357-S360 PolarHBondContact O-OG 3.09Å; T357-W361 PolarHBondContact O-NE1 3.26Å |
| 358 | C | 65.7 | Low | 68.1 | Low | 31 Ų | 31 | 42.1 Ų | 42.1 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 2.3 | -179.3 | -67.3 | 0 | 0 | 0 | 0 | 115.9 | V287 R374 | V287-C358 PolarHBondContact O-N 3.19Å; V287-C358 PolarHBondContact O-SG 3.26Å; C358-R374 PolarHBondContact SG-NH1 3.44Å; C358-R374 VanDerWaalsContact SG-NH1 3.38Å |
| 359 | A | 58.1 | Low | 68.7 | Low | 67 Ų | 67 | 35.6 Ų | 35.6 | 55% | 0.554 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 2.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T357 | T357-A359 PolarHBondContact O-N 3.18Å; T357-A359 VanDerWaalsContact O-N 3.09Å |
| 360 | S | 52.3 | Low | 69.3 | Low | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | trans | -119.5 | 1 | -156.3 | 49.1 | 0 | 0 | 0 | 0 | 116.6 | I321 T357 | I321-S360 VanDerWaalsContact CD1-CB 3.49Å; I321-S360 WeakPolarHBondContact CD1-O 3.33Å; T357-S360 PolarHBondContact O-OG 3.09Å | ||
| 361 | W | 53.1 | Low | 69.7 | Low | 25 Ų | 25 | 30 Ų | 30 | 10% | 0.095 | 16% | 0.159 | C | C | . | . | trans | -102.8 | -4.6 | -158 | -73.5 | 117.1 | 0 | 0 | 0 | 117.8 | I284 L286 F319 L343 L354 A356 T357 S363 L364 T366 L390 | I284-W361 HydrophobicContact CG2-CZ2 4.36Å; L286-W361 VanDerWaalsContact CD2-NE1 3.27Å; F319-W361 HydrophobicContact CD1-CH2 4.26Å; F319-W361 HydrophobicContact CD1-CZ2 4.31Å; L343-W361 HydrophobicContact CD2-CH2 4.35Å; L354-W361 HydrophobicContact CD2-CH2 3.74Å; L354-W361 HydrophobicContact CD2-CZ2 4.04Å; A356-W361 HydrophobicContact CB-CZ2 3.4Å; A356-W361 VanDerWaalsContact CB-CZ2 3.4Å; T357-W361 PolarHBondContact O-NE1 3.26Å; W361-S363 VanDerWaalsContact C-N 3.29Å; W361-S363 PolarHBondContact O-N 2.72Å; W361-L364 HydrophobicContact CE3-CB 4.1Å; W361-L364 HydrophobicContact CE3-CD1 4.42Å; W361-L364 HydrophobicContact CZ3-CB 3.99Å; W361-L364 HydrophobicContact CZ3-CD1 4.1Å; W361-T366 HydrophobicContact CE3-CG2 4.03Å; W361-T366 HydrophobicContact CH2-CG2 3.74Å; W361-T366 HydrophobicContact CZ3-CG2 3.26Å; W361-L390 HydrophobicContact CD2-CD1 4.42Å; W361-L390 HydrophobicContact CG-CD1 4.1Å | ||
| 362 | D | 50.5 | Low | 70 | Confident | 18 Ų | 18 | 29 Ų | 29 | 10% | 0.096 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -81.3 | -7.2 | -177.1 | -154.4 | 15.6 | 0 | 0 | 0 | 113.5 | K16 S38 H386 | K16-D362 PolarHBondContact NZ-O 3.09Å; S38-D362 WeakPolarHBondContact OG-CB 3.19Å; D362-H386 IonicContact OD1-CD2 2.6Å; D362-H386 IonicContact OD1-NE2 3.21Å; D362-H386 IonicContact OD2-NE2 2.78Å |
| 363 | S | 50.6 | Low | 70.3 | Confident | 57 Ų | 57 | 27.8 Ų | 27.8 | 40% | 0.399 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -108.9 | -26.7 | -178.8 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | W361 | W361-S363 VanDerWaalsContact C-N 3.29Å; W361-S363 PolarHBondContact O-N 2.72Å |
| 364 | L | 51.5 | Low | 70.4 | Confident | 35 Ų | 35 | 28 Ų | 28 | 18% | 0.183 | 15% | 0.148 | C | C | . | . | trans | -99.8 | 140.8 | -166.6 | -70.6 | 167.8 | 0 | 0 | 0 | 115 | F319 I321 L343 W361 | F319-L364 HydrophobicContact CE1-CD1 3.39Å; F319-L364 HydrophobicContact CE2-CD1 4.49Å; F319-L364 HydrophobicContact CZ-CD1 3.39Å; I321-L364 HydrophobicContact CD1-CD1 3.92Å; L343-L364 HydrophobicContact CD1-CD1 3.92Å; L343-L364 HydrophobicContact CD1-CD2 3.8Å; L343-L364 HydrophobicContact CD1-CG 4.48Å; L343-L364 HydrophobicContact CD2-CD1 4.41Å; W361-L364 HydrophobicContact CE3-CB 4.1Å; W361-L364 HydrophobicContact CE3-CD1 4.42Å; W361-L364 HydrophobicContact CZ3-CB 3.99Å; W361-L364 HydrophobicContact CZ3-CD1 4.1Å | ||
| 365 | E | 50 | Low | 70.4 | Confident | 74 Ų | 74 | 28 Ų | 28 | 35% | 0.346 | 15% | 0.148 | S | C | . | . | trans | -88.8 | 121.4 | 171.1 | -67.4 | -165.1 | 177.6 | 0 | 0 | 112 | R347 R489 | R347-E365 PolarHBondContact NE-O 3.25Å; E365-R489 IonicContact OE1-CZ 3.25Å; E365-R489 IonicContact OE1-NH1 2.73Å; E365-R489 PolarHBondContact OE1-NH1 2.85Å; E365-R489 IonicContact OE1-NH2 3.02Å; E365-R489 PolarHBondContact OE1-NH2 3.37Å; E365-R489 IonicContact OE2-CZ 3.66Å; E365-R489 IonicContact OE2-NH1 3.25Å; E365-R489 PolarHBondContact OE2-NH1 2.91Å; E365-R489 IonicContact OE2-NH2 2.66Å; E365-R489 PolarHBondContact OE2-NH2 2.95Å | ||
| 366 | T | 56.6 | Low | 70.2 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | trans | -115.2 | 152.6 | 176.4 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | I284 F346 W361 | I284-T366 HydrophobicContact CD1-CG2 4.29Å; F346-T366 HydrophobicContact CE1-CG2 4.38Å; W361-T366 HydrophobicContact CE3-CG2 4.03Å; W361-T366 HydrophobicContact CH2-CG2 3.74Å; W361-T366 HydrophobicContact CZ3-CG2 3.26Å | ||
| 367 | K | 61.5 | Low | 70.1 | Confident | 87 Ų | 87 | 30.7 Ų | 30.7 | 38% | 0.378 | 16% | 0.161 | S | C | . | . | trans | -54.2 | 147.9 | 170.5 | -157 | 166.8 | -167.7 | 157.8 | 0 | 110.4 | F346 R347 H348 C369 | F346-K367 HydrophobicContact CE1-CB 4.44Å; R347-K367 PolarHBondContact O-NZ 3.04Å; H348-K367 PolarHBondContact O-NZ 3.39Å; K367-C369 PolarHBondContact O-N 2.79Å; K367-C369 PolarHBondContact O-SG 2.7Å | ||
| 368 | R | 69.2 | Low | 70.1 | Confident | 131 Ų | 131 | 30.4 Ų | 30.4 | 49% | 0.494 | 16% | 0.159 | S | C | . | . | trans | -62.9 | 101.3 | 178.2 | -65.2 | -176.1 | -175 | 165.5 | 4.5 | 109.1 | K392 K393 E473 | R368-K392 HydrophobicContact CB-CB 4.24Å; R368-K392 HydrophobicContact CG-CB 4.33Å; R368-K393 HydrophobicContact CB-CG 4.09Å; R368-K393 WeakPolarHBondContact O-CD 3.4Å; R368-K393 VanDerWaalsContact O-CE 3.28Å; R368-K393 WeakPolarHBondContact O-CE 3.39Å; R368-K393 WeakPolarHBondContact O-CG 2.96Å; R368-E473 IonicContact CZ-OE1 2.66Å; R368-E473 IonicContact NH1-OE1 3.84Å; R368-E473 PolarHBondContact NH1-OE1 3.28Å; R368-E473 IonicContact NH2-OE1 2.59Å; R368-E473 PolarHBondContact NH2-OE1 3.46Å | ||
| 369 | C | 77.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -78.9 | 141.5 | -177.3 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | C282 K367 V372 K392 K393 | C282-C369 WeakPolarHBondContact O-CA 3.45Å; C282-C369 WeakPolarHBondContact O-CB 3.26Å; K367-C369 PolarHBondContact O-N 2.79Å; K367-C369 PolarHBondContact O-SG 2.7Å; C369-V372 HydrophobicContact CB-CG2 4.43Å; C369-K392 PolarHBondContact O-N 2.95Å; C369-K392 VanDerWaalsContact O-N 3.14Å; C369-K393 PolarHBondContact O-N 3.31Å; C369-K393 VanDerWaalsContact O-N 3.11Å |
| 370 | N | 83.1 | Confident | 71.7 | Confident | 23 Ų | 23 | 31.4 Ų | 31.4 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -91.8 | -15.6 | 166.5 | 42.4 | 2.6 | 0 | 0 | 0 | 112.5 | D279 C282 K393 A396 S397 | D279-N370 PolarHBondContact O-ND2 2.8Å; C282-N370 PolarHBondContact N-OD1 3.4Å; C282-N370 PolarHBondContact O-N 2.79Å; C282-N370 PolarHBondContact O-OD1 3.18Å; C282-N370 VanDerWaalsContact O-OD1 3.12Å; N370-K393 HydrophobicContact CB-CB 4.19Å; N370-K393 HydrophobicContact CB-CD 3.61Å; N370-K393 HydrophobicContact CB-CG 4.48Å; N370-A396 CarbonylContact O-C 3.59Å; N370-A396 WeakPolarHBondContact O-CA 3.38Å; N370-A396 WeakPolarHBondContact O-CB 3.38Å; N370-S397 PolarHBondContact O-N 3.36Å |
| 371 | F | 85.6 | Confident | 73 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 127.6 | -172.3 | -164.8 | -133.9 | 0 | 0 | 0 | 112.3 | W264 L265 Y268 L281 C282 G283 I284 I373 V399 | W264-F371 HydrophobicContact CB-CZ 4.17Å; L265-F371 HydrophobicContact CD2-CE1 4.18Å; Y268-F371 HydrophobicContact CD1-CB 4.5Å; Y268-F371 AromaticContact CD1-CD2 3.79Å; Y268-F371 HydrophobicContact CD1-CD2 3.79Å; Y268-F371 HydrophobicContact CD1-CE2 4.07Å; Y268-F371 HydrophobicContact CD1-CG 4.16Å; Y268-F371 AromaticContact CD2-CD2 3.94Å; Y268-F371 HydrophobicContact CD2-CD2 3.94Å; Y268-F371 HydrophobicContact CD2-CE1 4.36Å; Y268-F371 AromaticContact CD2-CE2 3.33Å; Y268-F371 HydrophobicContact CD2-CE2 3.33Å; Y268-F371 AromaticContact CD2-CZ 3.53Å; Y268-F371 HydrophobicContact CD2-CZ 3.53Å; Y268-F371 AromaticContact CE1-CD2 3.75Å; Y268-F371 HydrophobicContact CE1-CD2 3.75Å; Y268-F371 HydrophobicContact CE1-CE2 4.07Å; Y268-F371 HydrophobicContact CE1-CG 4.47Å; Y268-F371 AromaticContact CE2-CD2 3.91Å; Y268-F371 HydrophobicContact CE2-CD2 3.91Å; Y268-F371 AromaticContact CE2-CE2 3.35Å; Y268-F371 HydrophobicContact CE2-CE2 3.35Å; Y268-F371 HydrophobicContact CE2-CZ 4.01Å; Y268-F371 HydrophobicContact CG-CD1 4.49Å; Y268-F371 AromaticContact CG-CD2 3.9Å; Y268-F371 HydrophobicContact CG-CD2 3.9Å; Y268-F371 HydrophobicContact CG-CE1 4.3Å; Y268-F371 AromaticContact CG-CE2 3.72Å; Y268-F371 HydrophobicContact CG-CE2 3.72Å; Y268-F371 HydrophobicContact CG-CG 4.28Å; Y268-F371 AromaticContact CG-CZ 3.89Å; Y268-F371 HydrophobicContact CG-CZ 3.89Å; Y268-F371 AromaticContact CZ-CD2 3.83Å; Y268-F371 AromaticContact CZ-CE2 3.75Å; L281-F371 HydrophobicContact CD1-CB 3.99Å; L281-F371 HydrophobicContact CD1-CD1 4.08Å; L281-F371 HydrophobicContact CD1-CG 4.34Å; C282-F371 PolarHBondContact O-N 3.13Å; G283-F371 CarbonylContact C-O 3.57Å; G283-F371 VanDerWaalsContact CA-O 3.26Å; G283-F371 WeakPolarHBondContact CA-O 2.86Å; I284-F371 PolarHBondContact N-O 2.87Å; F371-I373 HydrophobicContact CD1-CD1 4.48Å; F371-I373 HydrophobicContact CD1-CG1 4.48Å; F371-I373 HydrophobicContact CE1-CD1 3.56Å; F371-I373 HydrophobicContact CE1-CG1 3.92Å; F371-I373 HydrophobicContact CE2-CD1 4.44Å; F371-I373 HydrophobicContact CE2-CG1 4.25Å; F371-I373 HydrophobicContact CZ-CD1 3.56Å; F371-I373 HydrophobicContact CZ-CG1 3.81Å; F371-V399 HydrophobicContact CE2-CG2 4.17Å |
| 372 | V | 87.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 118.9 | 175.2 | -177 | 0 | 0 | 0 | 0 | 109.6 | I284 L286 C369 L390 A391 S397 F398 V399 | I284-V372 WeakPolarHBondContact O-CA 3.48Å; L286-V372 HydrophobicContact CD1-CG1 4.06Å; L286-V372 HydrophobicContact CG-CG1 4.49Å; C369-V372 HydrophobicContact CB-CG2 4.43Å; V372-L390 HydrophobicContact CG2-CB 3.91Å; V372-A391 HydrophobicContact CG2-CB 3.97Å; V372-S397 PolarHBondContact N-O 3.38Å; V372-F398 HydrophobicContact CB-CD2 4.03Å; V372-F398 HydrophobicContact CG1-CD2 3.86Å; V372-F398 HydrophobicContact CG1-CE2 4.16Å; V372-F398 CarbonylContact O-C 3.56Å; V372-F398 WeakPolarHBondContact O-CA 3.39Å; V372-V399 PolarHBondContact O-N 3.23Å |
| 373 | I | 90.3 | Very high | 75 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.2 | 174.6 | -59.1 | 177.6 | 0 | 0 | 0 | 109.5 | L261 W264 I284 L286 F371 V399 L401 | L261-I373 HydrophobicContact CD1-CB 4.5Å; L261-I373 HydrophobicContact CD1-CD1 3.41Å; L261-I373 VanDerWaalsContact CD1-CD1 3.41Å; L261-I373 HydrophobicContact CD1-CG2 4.19Å; W264-I373 HydrophobicContact CB-CD1 4.11Å; I284-I373 PolarHBondContact O-N 2.74Å; L286-I373 PolarHBondContact N-O 3.08Å; F371-I373 HydrophobicContact CD1-CD1 4.48Å; F371-I373 HydrophobicContact CD1-CG1 4.48Å; F371-I373 HydrophobicContact CE1-CD1 3.56Å; F371-I373 HydrophobicContact CE1-CG1 3.92Å; F371-I373 HydrophobicContact CE2-CD1 4.44Å; F371-I373 HydrophobicContact CE2-CG1 4.25Å; F371-I373 HydrophobicContact CZ-CD1 3.56Å; F371-I373 HydrophobicContact CZ-CG1 3.81Å; I373-V399 CarbonylContact C-O 3.35Å; I373-V399 WeakPolarHBondContact CA-O 3.11Å; I373-V399 HydrophobicContact CG1-CB 4.25Å; I373-L401 HydrophobicContact CG2-CD1 3.99Å; I373-L401 HydrophobicContact CG2-CG 3.99Å |
| 374 | R | 89.2 | Confident | 76.5 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 2% | 0.023 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109.9 | 162.8 | -96.3 | -74.2 | -172.6 | 134.9 | -0.2 | 109.5 | L286 C358 D376 S383 S387 F398 V399 I400 L401 | L286-R374 HydrophobicContact CB-CG 4.21Å; L286-R374 HydrophobicContact CD1-CG 4.21Å; C358-R374 PolarHBondContact SG-NH1 3.44Å; C358-R374 VanDerWaalsContact SG-NH1 3.38Å; R374-D376 WeakPolarHBondContact CD-O 3.49Å; R374-S383 PolarHBondContact NH2-O 2.7Å; R374-S383 PolarHBondContact NH2-OG 3.39Å; R374-S387 VanDerWaalsContact CZ-OG 3.27Å; R374-S387 PolarHBondContact NE-OG 3.23Å; R374-S387 PolarHBondContact NH2-OG 3.44Å; R374-F398 HydrophobicContact CB-CE2 4.36Å; R374-F398 HydrophobicContact CG-CE2 3.85Å; R374-F398 HydrophobicContact CG-CZ 4.12Å; R374-V399 PolarHBondContact N-O 3.4Å; R374-I400 HydrophobicContact CB-CB 4.48Å; R374-I400 HydrophobicContact CB-CG1 4.27Å; R374-I400 HydrophobicContact CB-CG2 4.35Å; R374-L401 PolarHBondContact O-N 2.96Å |
| 375 | F | 88.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -72.3 | -33.5 | 177.8 | -171.9 | -97.9 | 0 | 0 | 0 | 112.5 | Q190 L191 R257 A258 L261 L286 V287 L401 | Q190-F375 HydrophobicContact CB-CE1 4.46Å; Q190-F375 WeakPolarHBondContact O-CZ 3.44Å; L191-F375 HydrophobicContact CD2-CE1 4.06Å; L191-F375 HydrophobicContact CD2-CE2 4.24Å; L191-F375 HydrophobicContact CD2-CZ 3.63Å; R257-F375 HydrophobicContact CB-CE2 3.88Å; R257-F375 HydrophobicContact CB-CZ 3.87Å; R257-F375 PolarHBondContact NH1-O 2.89Å; A258-F375 HydrophobicContact CB-CE2 4.06Å; A258-F375 HydrophobicContact CB-CZ 4.19Å; L261-F375 HydrophobicContact CD2-CD2 4.15Å; L261-F375 HydrophobicContact CD2-CE2 4.38Å; L286-F375 WeakPolarHBondContact O-CB 3.01Å; L286-F375 PolarHBondContact O-N 3.5Å; V287-F375 HydrophobicContact CG1-CB 3.85Å; V287-F375 HydrophobicContact CG1-CD1 4.38Å; V287-F375 HydrophobicContact CG1-CG 4.23Å; F375-L401 HydrophobicContact CD2-CD1 4.06Å |
| 376 | D | 84.8 | Confident | 78.7 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -115 | 131.6 | 173.4 | -54.7 | -64.2 | 0 | 0 | 0 | 109.7 | R257 R288 R374 | R257-D376 IonicContact CZ-OD1 3.38Å; R257-D376 IonicContact NH1-OD1 2.78Å; R257-D376 PolarHBondContact NH1-OD1 3.04Å; R257-D376 IonicContact NH2-OD1 2.75Å; R288-D376 HydrophobicContact CB-CB 4.18Å; R288-D376 WeakPolarHBondContact CB-OD2 3.32Å; R288-D376 PolarHBondContact N-OD2 2.98Å; R374-D376 WeakPolarHBondContact CD-O 3.49Å |
| 377 | H | 83.9 | Confident | 79.7 | Confident | 48 Ų | 48 | 25.5 Ų | 25.5 | 22% | 0.222 | 13% | 0.128 | C | C | . | . | trans | -54.8 | 143.6 | 176.9 | 66.2 | -114.4 | 0 | 0 | 0 | 111.4 | R288 I400 L402 D406 F410 | R288-H377 PolarHBondContact NH2-O 3.38Å; H377-I400 HydrophobicContact CB-CG2 4.31Å; H377-L402 HydrophobicContact CB-CD1 3.93Å; H377-D406 IonicContact CE1-OD2 3.85Å; H377-D406 IonicContact ND1-OD2 3.99Å; H377-F410 HydrophobicContact CB-CD2 3.96Å; H377-F410 HydrophobicContact CB-CE2 3.9Å; H377-F410 HydrophobicContact CB-CG 4.47Å; H377-F410 HydrophobicContact CB-CZ 4.33Å | ||
| 378 | P | 82.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.013 | 11% | 0.114 | C | C | . | . | trans | -69.5 | 133.6 | 177.9 | 27.6 | -33.4 | 0 | 0 | 0 | 111.1 | F384 I400 F410 | P378-F384 HydrophobicContact CB-CB 3.95Å; P378-F384 HydrophobicContact CG-CB 3.87Å; P378-F384 HydrophobicContact CG-CD2 4.16Å; P378-I400 HydrophobicContact CG-CD1 4.44Å; P378-F410 HydrophobicContact CG-CE2 3.96Å; P378-F410 HydrophobicContact CG-CZ 3.94Å | ||
| 379 | T | 79.7 | Confident | 80.7 | Confident | 86 Ų | 86 | 16.6 Ų | 16.6 | 53% | 0.528 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -93.2 | -5.1 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 380 | S | 78.8 | Confident | 80.6 | Confident | 33 Ų | 33 | 17.1 Ų | 17.1 | 23% | 0.231 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -148.3 | 152.4 | 176.1 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | D89 C382 S383 F384 Y417 | D89-S380 WeakPolarHBondContact OD1-CA 3.37Å; D89-S380 WeakPolarHBondContact OD2-CA 3.33Å; D89-S380 WeakPolarHBondContact OD2-CB 3.4Å; S380-C382 VanDerWaalsContact C-N 3.25Å; S380-C382 PolarHBondContact O-N 2.77Å; S380-S383 WeakPolarHBondContact O-CA 3.47Å; S380-S383 WeakPolarHBondContact O-CB 3.22Å; S380-S383 PolarHBondContact O-N 2.93Å; S380-S383 PolarHBondContact OG-N 3.4Å; S380-F384 PolarHBondContact O-N 3.05Å; S380-Y417 VanDerWaalsContact C-OH 3.27Å; S380-Y417 WeakPolarHBondContact CA-OH 3.39Å; S380-Y417 PolarHBondContact N-OH 3.49Å |
| 381 | Y | 77.6 | Confident | 80.3 | Confident | 8 Ų | 8 | 16 Ų | 16 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -53.2 | -43.3 | 177.1 | 174.5 | -103 | 0 | 0 | 0 | 112.2 | F88 D89 N115 S383 F384 A385 Y417 F420 E421 L424 | F88-Y381 AromaticContact CD2-CD1 3.56Å; F88-Y381 HydrophobicContact CD2-CD1 3.56Å; F88-Y381 HydrophobicContact CD2-CE1 4.48Å; F88-Y381 HydrophobicContact CD2-CG 4.03Å; F88-Y381 AromaticContact CE2-CD1 3.57Å; F88-Y381 HydrophobicContact CE2-CD1 3.57Å; F88-Y381 HydrophobicContact CE2-CE1 4.11Å; F88-Y381 HydrophobicContact CE2-CG 4.46Å; D89-Y381 PolarHBondContact OD1-N 3.02Å; N115-Y381 PolarHBondContact ND2-OH 3.31Å; Y381-S383 VanDerWaalsContact C-N 3.3Å; Y381-S383 PolarHBondContact O-N 3.16Å; Y381-F384 HydrophobicContact CD2-CD1 4.33Å; Y381-F384 HydrophobicContact CE2-CD1 4.26Å; Y381-F384 WeakPolarHBondContact O-CB 3.41Å; Y381-F384 PolarHBondContact O-N 3.33Å; Y381-A385 HydrophobicContact CE1-CB 4.29Å; Y381-A385 WeakPolarHBondContact O-CB 3.4Å; Y381-A385 PolarHBondContact O-N 3.34Å; Y381-Y417 HydrophobicContact CD2-CD1 4.01Å; Y381-Y417 HydrophobicContact CD2-CG 4.01Å; Y381-Y417 VanDerWaalsContact CE2-O 3.23Å; Y381-Y417 WeakPolarHBondContact CE2-O 3.41Å; Y381-Y417 HydrophobicContact CG-CD1 4.4Å; Y381-Y417 VanDerWaalsContact N-CZ 3.33Å; Y381-Y417 PolarHBondContact N-OH 2.66Å; Y381-F420 HydrophobicContact CD2-CB 4.08Å; Y381-F420 HydrophobicContact CD2-CD2 4.25Å; Y381-F420 HydrophobicContact CE2-CB 4.02Å; Y381-F420 HydrophobicContact CG-CB 4.46Å; Y381-F420 HydrophobicContact CG-CD2 4.34Å; Y381-E421 HydrophobicContact CE2-CB 4.26Å; Y381-E421 WeakPolarHBondContact OH-CA 3.42Å; Y381-L424 HydrophobicContact CE1-CD1 3.67Å |
| 382 | C | 70.9 | Confident | 79.6 | Confident | 25 Ų | 25 | 19.5 Ų | 19.5 | 17% | 0.169 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.9 | -37.7 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | S380 A385 H386 | S380-C382 VanDerWaalsContact C-N 3.25Å; S380-C382 PolarHBondContact O-N 2.77Å; C382-A385 PolarHBondContact O-N 3.44Å; C382-H386 PolarHBondContact O-N 3.27Å; C382-H386 VanDerWaalsContact O-N 3.11Å; C382-H386 PolarHBondContact O-ND1 3.17Å |
| 383 | S | 75.7 | Confident | 78.8 | Confident | 22 Ų | 22 | 21.6 Ų | 21.6 | 15% | 0.154 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.9 | -36.5 | 176.8 | -150.9 | 0 | 0 | 0 | 0 | 112 | R374 S380 Y381 S387 | R374-S383 PolarHBondContact NH2-O 2.7Å; R374-S383 PolarHBondContact NH2-OG 3.39Å; S380-S383 WeakPolarHBondContact O-CA 3.47Å; S380-S383 WeakPolarHBondContact O-CB 3.22Å; S380-S383 PolarHBondContact O-N 2.93Å; S380-S383 PolarHBondContact OG-N 3.4Å; Y381-S383 VanDerWaalsContact C-N 3.3Å; Y381-S383 PolarHBondContact O-N 3.16Å; S383-S387 WeakPolarHBondContact O-CB 3.38Å; S383-S387 PolarHBondContact O-N 3.05Å; S383-S387 PolarHBondContact O-OG 3.41Å |
| 384 | F | 81.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.6 | -50.9 | 171.3 | 169.7 | -101.7 | 0 | 0 | 0 | 111.6 | L129 P378 S380 Y381 S387 K388 F398 I400 L414 Y417 L418 | L129-F384 HydrophobicContact CD1-CE2 4.15Å; L129-F384 HydrophobicContact CD2-CE2 4.28Å; L129-F384 HydrophobicContact CD2-CZ 4.19Å; P378-F384 HydrophobicContact CB-CB 3.95Å; P378-F384 HydrophobicContact CG-CB 3.87Å; P378-F384 HydrophobicContact CG-CD2 4.16Å; S380-F384 PolarHBondContact O-N 3.05Å; Y381-F384 HydrophobicContact CD2-CD1 4.33Å; Y381-F384 HydrophobicContact CE2-CD1 4.26Å; Y381-F384 WeakPolarHBondContact O-CB 3.41Å; Y381-F384 PolarHBondContact O-N 3.33Å; F384-S387 PolarHBondContact O-N 3.45Å; F384-K388 HydrophobicContact CE1-CD 4.28Å; F384-K388 HydrophobicContact CZ-CD 4.19Å; F384-K388 WeakPolarHBondContact O-CB 3.25Å; F384-K388 PolarHBondContact O-N 3.45Å; F384-F398 HydrophobicContact CD2-CE1 4.11Å; F384-F398 HydrophobicContact CE2-CE1 4.01Å; F384-I400 HydrophobicContact CD2-CD1 4.17Å; F384-I400 HydrophobicContact CE2-CD1 4.18Å; F384-L414 HydrophobicContact CD2-CD1 4.37Å; F384-L414 HydrophobicContact CE2-CD1 3.7Å; F384-L414 HydrophobicContact CZ-CD1 3.97Å; F384-Y417 HydrophobicContact CB-CD2 4Å; F384-Y417 HydrophobicContact CB-CE2 4.36Å; F384-Y417 HydrophobicContact CD1-CD2 4.45Å; F384-Y417 HydrophobicContact CG-CD2 4.14Å; F384-L418 HydrophobicContact CZ-CD2 4.23Å |
| 385 | A | 74.6 | Confident | 76.8 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | I117 Y381 C382 S387 K388 A389 | I117-A385 HydrophobicContact CD1-CB 3.87Å; I117-A385 HydrophobicContact CG1-CB 4.24Å; Y381-A385 HydrophobicContact CE1-CB 4.29Å; Y381-A385 WeakPolarHBondContact O-CB 3.4Å; Y381-A385 PolarHBondContact O-N 3.34Å; C382-A385 PolarHBondContact O-N 3.44Å; A385-S387 VanDerWaalsContact C-N 3.32Å; A385-S387 PolarHBondContact O-N 3.49Å; A385-K388 PolarHBondContact O-N 3.42Å; A385-A389 WeakPolarHBondContact O-CB 3.36Å; A385-A389 PolarHBondContact O-N 3.31Å; A385-A389 VanDerWaalsContact O-N 3.08Å |
| 386 | H | 73.1 | Confident | 76.4 | Confident | 47 Ų | 47 | 31.5 Ų | 31.5 | 22% | 0.218 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.4 | -67.4 | 108.1 | 0 | 0 | 0 | 112.1 | P116 D362 C382 A389 | P116-H386 WeakPolarHBondContact CG-CD2 3.37Å; P116-H386 WeakPolarHBondContact CG-NE2 3.47Å; D362-H386 IonicContact OD1-CD2 2.6Å; D362-H386 IonicContact OD1-NE2 3.21Å; D362-H386 IonicContact OD2-NE2 2.78Å; C382-H386 PolarHBondContact O-N 3.27Å; C382-H386 VanDerWaalsContact O-N 3.11Å; C382-H386 PolarHBondContact O-ND1 3.17Å; H386-A389 PolarHBondContact O-N 3.02Å |
| 387 | S | 78.3 | Confident | 76.4 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | -180 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | R374 S383 F384 A385 A389 L390 | R374-S387 VanDerWaalsContact CZ-OG 3.27Å; R374-S387 PolarHBondContact NE-OG 3.23Å; R374-S387 PolarHBondContact NH2-OG 3.44Å; S383-S387 WeakPolarHBondContact O-CB 3.38Å; S383-S387 PolarHBondContact O-N 3.05Å; S383-S387 PolarHBondContact O-OG 3.41Å; F384-S387 PolarHBondContact O-N 3.45Å; A385-S387 VanDerWaalsContact C-N 3.32Å; A385-S387 PolarHBondContact O-N 3.49Å; S387-A389 VanDerWaalsContact C-N 3.28Å; S387-A389 PolarHBondContact O-N 2.92Å; S387-L390 PolarHBondContact O-N 3.11Å |
| 388 | K | 79.1 | Confident | 76.6 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -35.1 | 176.1 | -167.9 | -178.2 | -172.8 | -175.3 | 0 | 112.1 | I117 P127 F384 A385 L390 A391 F398 E421 | I117-K388 HydrophobicContact CD1-CD 3.98Å; I117-K388 HydrophobicContact CG1-CD 4.33Å; P127-K388 HydrophobicContact CG-CG 4.22Å; F384-K388 HydrophobicContact CE1-CD 4.28Å; F384-K388 HydrophobicContact CZ-CD 4.19Å; F384-K388 WeakPolarHBondContact O-CB 3.25Å; F384-K388 PolarHBondContact O-N 3.45Å; A385-K388 PolarHBondContact O-N 3.42Å; K388-L390 VanDerWaalsContact C-N 3.26Å; K388-L390 PolarHBondContact O-N 2.89Å; K388-A391 PolarHBondContact O-N 3.45Å; K388-F398 HydrophobicContact CB-CD1 3.87Å; K388-F398 HydrophobicContact CB-CE1 3.84Å; K388-F398 HydrophobicContact CG-CD1 3.89Å; K388-F398 HydrophobicContact CG-CE1 4.29Å; K388-E421 IonicContact NZ-OE1 3.73Å; K388-E421 PolarHBondContact NZ-OE1 2.62Å; K388-E421 IonicContact NZ-OE2 2.85Å; K388-E421 PolarHBondContact NZ-OE2 2.88Å |
| 389 | A | 72 | Confident | 76.9 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P116 P120 A385 H386 S387 K392 | P116-A389 HydrophobicContact CB-CB 3.72Å; P116-A389 WeakPolarHBondContact O-CB 3.34Å; P120-A389 HydrophobicContact CG-CB 4.32Å; A385-A389 WeakPolarHBondContact O-CB 3.36Å; A385-A389 PolarHBondContact O-N 3.31Å; A385-A389 VanDerWaalsContact O-N 3.08Å; H386-A389 PolarHBondContact O-N 3.02Å; S387-A389 VanDerWaalsContact C-N 3.28Å; S387-A389 PolarHBondContact O-N 2.92Å; A389-K392 WeakPolarHBondContact O-CE 3.36Å; A389-K392 WeakPolarHBondContact O-CG 3.45Å |
| 390 | L | 75.3 | Confident | 77.4 | Confident | 10 Ų | 10 | 24.7 Ų | 24.7 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -25.9 | 172.5 | -68 | 170.5 | 0 | 0 | 0 | 112.7 | I284 L286 W361 V372 S387 K388 K392 | I284-L390 HydrophobicContact CD1-CD1 4.35Å; I284-L390 HydrophobicContact CD1-CD2 4.43Å; L286-L390 HydrophobicContact CD1-CD1 4.12Å; L286-L390 HydrophobicContact CD2-CD1 4.37Å; W361-L390 HydrophobicContact CD2-CD1 4.42Å; W361-L390 HydrophobicContact CG-CD1 4.1Å; V372-L390 HydrophobicContact CG2-CB 3.91Å; S387-L390 PolarHBondContact O-N 3.11Å; K388-L390 VanDerWaalsContact C-N 3.26Å; K388-L390 PolarHBondContact O-N 2.89Å; L390-K392 PolarHBondContact O-N 3.16Å |
| 391 | A | 77.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -77.9 | 88.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P127 V372 K388 A396 F398 | P127-A391 HydrophobicContact CB-CB 3.6Å; P127-A391 HydrophobicContact CG-CB 4.2Å; V372-A391 HydrophobicContact CG2-CB 3.97Å; K388-A391 PolarHBondContact O-N 3.45Å; A391-A396 HydrophobicContact CB-CB 3.9Å; A391-F398 HydrophobicContact CB-CB 4.43Å |
| 392 | K | 70.8 | Confident | 78.4 | Confident | 77 Ų | 77 | 23 Ų | 23 | 34% | 0.335 | 13% | 0.126 | S | C | . | . | trans | -109.5 | -14 | -165.9 | -70.1 | 178.5 | -176.6 | 172.9 | 0 | 115.5 | P120 R368 C369 A389 L390 | P120-K392 HydrophobicContact CG-CG 4.36Å; R368-K392 HydrophobicContact CB-CB 4.24Å; R368-K392 HydrophobicContact CG-CB 4.33Å; C369-K392 PolarHBondContact O-N 2.95Å; C369-K392 VanDerWaalsContact O-N 3.14Å; A389-K392 WeakPolarHBondContact O-CE 3.36Å; A389-K392 WeakPolarHBondContact O-CG 3.45Å; L390-K392 PolarHBondContact O-N 3.16Å | ||
| 393 | K | 70.5 | Confident | 79 | Confident | 43 Ų | 43 | 22.3 Ų | 22.3 | 19% | 0.187 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -72.5 | 155.9 | 171.7 | -83.2 | 177.7 | 175 | -175.6 | 0 | 110.6 | N278 K280 R368 C369 N370 A396 | N278-K393 PolarHBondContact O-NZ 2.79Å; K280-K393 PolarHBondContact O-NZ 3.45Å; R368-K393 HydrophobicContact CB-CG 4.09Å; R368-K393 WeakPolarHBondContact O-CD 3.4Å; R368-K393 VanDerWaalsContact O-CE 3.28Å; R368-K393 WeakPolarHBondContact O-CE 3.39Å; R368-K393 WeakPolarHBondContact O-CG 2.96Å; C369-K393 PolarHBondContact O-N 3.31Å; C369-K393 VanDerWaalsContact O-N 3.11Å; N370-K393 HydrophobicContact CB-CB 4.19Å; N370-K393 HydrophobicContact CB-CD 3.61Å; N370-K393 HydrophobicContact CB-CG 4.48Å; K393-A396 HydrophobicContact CB-CB 4.25Å; K393-A396 WeakPolarHBondContact O-CB 3.27Å; K393-A396 PolarHBondContact O-N 3.37Å |
| 394 | P | 65.5 | Low | 79.4 | Confident | 108 Ų | 108 | 23.6 Ų | 23.6 | 70% | 0.701 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 147 | 160.6 | 27.1 | -34.7 | 0 | 0 | 0 | 109.8 | A396 | P394-A396 PolarHBondContact O-N 2.83Š|
| 395 | D | 72.5 | Confident | 79.4 | Confident | 107 Ų | 107 | 29 Ų | 29 | 57% | 0.572 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 15.6 | -174.2 | -76.3 | -66.8 | 0 | 0 | 0 | 117.2 | R128 | R128-D395 IonicContact CZ-OD1 2.73Å; R128-D395 IonicContact NE-OD1 3.61Å; R128-D395 PolarHBondContact NE-OD1 3.34Å; R128-D395 IonicContact NH2-OD1 2.8Å; R128-D395 PolarHBondContact NH2-OD1 2.99Å |
| 396 | A | 79.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -59 | 140.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | P127 R128 N370 A391 K393 P394 | P127-A396 CarbonylContact C-O 3.53Å; P127-A396 WeakPolarHBondContact CA-O 3.27Å; P127-A396 VanDerWaalsContact CB-O 3.3Å; P127-A396 WeakPolarHBondContact CB-O 3.27Å; R128-A396 PolarHBondContact N-O 3.44Å; N370-A396 CarbonylContact O-C 3.59Å; N370-A396 WeakPolarHBondContact O-CA 3.38Å; N370-A396 WeakPolarHBondContact O-CB 3.38Å; A391-A396 HydrophobicContact CB-CB 3.9Å; K393-A396 HydrophobicContact CB-CB 4.25Å; K393-A396 WeakPolarHBondContact O-CB 3.27Å; K393-A396 PolarHBondContact O-N 3.37Å; P394-A396 PolarHBondContact O-N 2.83Å | ||
| 397 | S | 85.1 | Confident | 80.4 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.3 | -178.8 | -69.5 | 0 | 0 | 0 | 0 | 112 | Y268 N370 V372 | Y268-S397 WeakPolarHBondContact OH-CB 3.48Å; Y268-S397 PolarHBondContact OH-OG 2.91Å; N370-S397 PolarHBondContact O-N 3.36Å; V372-S397 PolarHBondContact N-O 3.38Å |
| 398 | F | 88.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 102.2 | 175.5 | 175.6 | -131 | 0 | 0 | 0 | 109.2 | R128 L129 L130 V372 R374 F384 K388 A391 I400 | R128-F398 PolarHBondContact O-N 2.83Å; L129-F398 WeakPolarHBondContact CA-O 3.21Å; L129-F398 HydrophobicContact CD1-CD1 3.65Å; L129-F398 HydrophobicContact CD1-CE1 3.97Å; L130-F398 PolarHBondContact N-O 3.43Å; V372-F398 HydrophobicContact CB-CD2 4.03Å; V372-F398 HydrophobicContact CG1-CD2 3.86Å; V372-F398 HydrophobicContact CG1-CE2 4.16Å; V372-F398 CarbonylContact O-C 3.56Å; V372-F398 WeakPolarHBondContact O-CA 3.39Å; R374-F398 HydrophobicContact CB-CE2 4.36Å; R374-F398 HydrophobicContact CG-CE2 3.85Å; R374-F398 HydrophobicContact CG-CZ 4.12Å; F384-F398 HydrophobicContact CD2-CE1 4.11Å; F384-F398 HydrophobicContact CE2-CE1 4.01Å; K388-F398 HydrophobicContact CB-CD1 3.87Å; K388-F398 HydrophobicContact CB-CE1 3.84Å; K388-F398 HydrophobicContact CG-CD1 3.89Å; K388-F398 HydrophobicContact CG-CE1 4.29Å; A391-F398 HydrophobicContact CB-CB 4.43Å; F398-I400 HydrophobicContact CE1-CD1 4.01Å; F398-I400 HydrophobicContact CE1-CG1 4.16Å; F398-I400 HydrophobicContact CE2-CG1 4.47Å; F398-I400 HydrophobicContact CZ-CD1 4.11Å; F398-I400 HydrophobicContact CZ-CG1 3.99Å |
| 399 | V | 89.3 | Confident | 81 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.1 | -175.4 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | L130 K132 W264 F371 V372 I373 R374 L401 | L130-V399 HydrophobicContact CB-CG2 4.38Å; L130-V399 HydrophobicContact CD1-CG2 4.37Å; L130-V399 CarbonylContact O-C 3.52Å; L130-V399 WeakPolarHBondContact O-CA 3.48Å; K132-V399 HydrophobicContact CB-CG1 4.46Å; W264-V399 HydrophobicContact CD2-CG2 4.43Å; W264-V399 HydrophobicContact CZ2-CG1 4.26Å; W264-V399 HydrophobicContact CZ2-CG2 4.46Å; F371-V399 HydrophobicContact CE2-CG2 4.17Å; V372-V399 PolarHBondContact O-N 3.23Å; I373-V399 CarbonylContact C-O 3.35Å; I373-V399 WeakPolarHBondContact CA-O 3.11Å; I373-V399 HydrophobicContact CG1-CB 4.25Å; R374-V399 PolarHBondContact N-O 3.4Å; V399-L401 HydrophobicContact CG1-CD2 4.09Å |
| 400 | I | 89.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121.1 | 171.2 | -53.7 | 179.7 | 0 | 0 | 0 | 108.6 | L129 L130 V131 K132 R374 H377 P378 F384 F398 F410 | L129-I400 HydrophobicContact CD1-CD1 3.99Å; L129-I400 HydrophobicContact CD1-CG1 4.36Å; L130-I400 PolarHBondContact O-N 3.1Å; V131-I400 HydrophobicContact CG2-CB 4.49Å; K132-I400 PolarHBondContact N-O 2.94Å; R374-I400 HydrophobicContact CB-CB 4.48Å; R374-I400 HydrophobicContact CB-CG1 4.27Å; R374-I400 HydrophobicContact CB-CG2 4.35Å; H377-I400 HydrophobicContact CB-CG2 4.31Å; P378-I400 HydrophobicContact CG-CD1 4.44Å; F384-I400 HydrophobicContact CD2-CD1 4.17Å; F384-I400 HydrophobicContact CE2-CD1 4.18Å; F398-I400 HydrophobicContact CE1-CD1 4.01Å; F398-I400 HydrophobicContact CE1-CG1 4.16Å; F398-I400 HydrophobicContact CE2-CG1 4.47Å; F398-I400 HydrophobicContact CZ-CD1 4.11Å; F398-I400 HydrophobicContact CZ-CG1 3.99Å; I400-F410 HydrophobicContact CD1-CE1 4.39Å; I400-F410 HydrophobicContact CD1-CZ 4.17Å; I400-F410 HydrophobicContact CG2-CE1 4.32Å; I400-F410 HydrophobicContact CG2-CZ 4.38Å |
| 401 | L | 89.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 134.9 | 173 | -55.2 | -176.7 | 0 | 0 | 0 | 110 | K132 R257 L261 I373 R374 F375 V399 | K132-L401 HydrophobicContact CB-CD2 4.11Å; K132-L401 HydrophobicContact CG-CD2 4.23Å; R257-L401 WeakPolarHBondContact O-CD1 3.23Å; L261-L401 HydrophobicContact CB-CD1 4.1Å; I373-L401 HydrophobicContact CG2-CD1 3.99Å; I373-L401 HydrophobicContact CG2-CG 3.99Å; R374-L401 PolarHBondContact O-N 2.96Å; F375-L401 HydrophobicContact CD2-CD1 4.06Å; V399-L401 HydrophobicContact CG1-CD2 4.09Å |
| 402 | L | 88.5 | Confident | 82.5 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 140.9 | -172.1 | -172.1 | 66.9 | 0 | 0 | 0 | 109.9 | V131 K132 V133 C134 H377 D406 F410 | V131-L402 HydrophobicContact CG1-CB 4.45Å; V131-L402 HydrophobicContact CG1-CD2 4.07Å; K132-L402 PolarHBondContact O-N 2.92Å; V133-L402 CarbonylContact C-O 3.47Å; V133-L402 WeakPolarHBondContact CA-O 3.23Å; C134-L402 WeakPolarHBondContact CB-O 3.44Å; C134-L402 PolarHBondContact N-O 3.21Å; H377-L402 HydrophobicContact CB-CD1 3.93Å; L402-D406 HydrophobicContact CD1-CB 3.61Å; L402-D406 HydrophobicContact CG-CB 4.19Å; L402-F410 HydrophobicContact CD1-CB 3.81Å; L402-F410 HydrophobicContact CD1-CD1 4.14Å; L402-F410 HydrophobicContact CD1-CG 3.94Å; L402-F410 HydrophobicContact CD2-CB 3.91Å; L402-F410 HydrophobicContact CD2-CD1 3.78Å; L402-F410 HydrophobicContact CD2-CG 4.17Å |
| 403 | Q | 83.8 | Confident | 83.2 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 147.8 | 175.4 | -52.6 | -159.7 | -58.7 | 0 | 0 | 109.9 | D137 R257 K405 D406 | D137-Q403 PolarHBondContact OD2-NE2 3.4Å; R257-Q403 HydrophobicContact CG-CG 4.03Å; Q403-K405 HydrophobicContact CB-CG 4.16Å; Q403-K405 PolarHBondContact O-N 3.12Å; Q403-K405 VanDerWaalsContact O-N 3.15Å; Q403-D406 PolarHBondContact O-N 3.05Å |
| 404 | S | 83.5 | Confident | 83.9 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -55.5 | -36.1 | -177 | -42.2 | 0 | 0 | 0 | 0 | 112.9 | C134 N136 D406 Q407 | C134-S404 PolarHBondContact O-N 3.22Å; C134-S404 PolarHBondContact O-OG 3.45Å; N136-S404 WeakPolarHBondContact OD1-CB 3.25Å; N136-S404 PolarHBondContact OD1-N 2.9Å; N136-S404 VanDerWaalsContact OD1-N 3.07Å; S404-D406 PolarHBondContact O-N 2.9Å; S404-Q407 VanDerWaalsContact O-CB 3.29Å; S404-Q407 WeakPolarHBondContact O-CB 3.23Å; S404-Q407 PolarHBondContact O-N 3.13Å |
| 405 | K | 81.9 | Confident | 84.9 | Confident | 114 Ų | 114 | 52.3 Ų | 52.3 | 50% | 0.496 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -61.3 | -26 | 175.5 | 70.8 | -171.8 | -179.2 | -162.5 | 0 | 114.8 | N136 Q403 | N136-K405 PolarHBondContact OD1-N 2.94Å; Q403-K405 HydrophobicContact CB-CG 4.16Å; Q403-K405 PolarHBondContact O-N 3.12Å; Q403-K405 VanDerWaalsContact O-N 3.15Å |
| 406 | D | 83.5 | Confident | 85.5 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 25% | 0.246 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -92.1 | -5.4 | -178.4 | -61.9 | -26.9 | 0 | 0 | 0 | 112.5 | H377 L402 Q403 S404 E408 A409 F410 | H377-D406 IonicContact CE1-OD2 3.85Å; H377-D406 IonicContact ND1-OD2 3.99Å; L402-D406 HydrophobicContact CD1-CB 3.61Å; L402-D406 HydrophobicContact CG-CB 4.19Å; Q403-D406 PolarHBondContact O-N 3.05Å; S404-D406 PolarHBondContact O-N 2.9Å; D406-E408 PolarHBondContact O-N 3.05Å; D406-A409 PolarHBondContact O-N 2.99Å; D406-F410 WeakPolarHBondContact O-CB 3.24Å; D406-F410 PolarHBondContact O-N 3.08Å |
| 407 | Q | 85 | Confident | 85.7 | Confident | 82 Ų | 82 | 49.5 Ų | 49.5 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.2 | -56.1 | -164.6 | -177 | 176.7 | -26.7 | 0 | 0 | 113.5 | V133 S404 A409 F410 E411 | V133-Q407 HydrophobicContact CG2-CG 4.18Å; S404-Q407 VanDerWaalsContact O-CB 3.29Å; S404-Q407 WeakPolarHBondContact O-CB 3.23Å; S404-Q407 PolarHBondContact O-N 3.13Å; Q407-A409 PolarHBondContact O-N 3.32Å; Q407-F410 PolarHBondContact O-N 2.76Å; Q407-E411 WeakPolarHBondContact O-CB 3.34Å; Q407-E411 PolarHBondContact O-N 2.92Å |
| 408 | E | 84 | Confident | 85.6 | Confident | 172 Ų | 172 | 52.5 Ų | 52.5 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | -175.1 | -59.3 | -172.6 | 162.6 | 0 | 0 | 112.3 | D406 E411 K412 | D406-E408 PolarHBondContact O-N 3.05Å; E408-E411 PolarHBondContact O-N 3.27Å; E408-K412 PolarHBondContact O-N 3.31Å; E408-K412 VanDerWaalsContact O-N 3.17Å |
| 409 | A | 85.5 | Confident | 85.4 | Confident | 69 Ų | 69 | 54 Ų | 54 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D406 Q407 T413 | D406-A409 PolarHBondContact O-N 2.99Å; Q407-A409 PolarHBondContact O-N 3.32Å; A409-T413 WeakPolarHBondContact O-CB 3.25Å; A409-T413 PolarHBondContact O-N 3.07Å; A409-T413 PolarHBondContact O-OG1 3.03Å |
| 410 | F | 85.8 | Confident | 84.8 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.9 | -34.8 | 177.5 | -171.2 | -104.2 | 0 | 0 | 0 | 112.7 | H377 P378 I400 L402 D406 Q407 K412 T413 L414 | H377-F410 HydrophobicContact CB-CD2 3.96Å; H377-F410 HydrophobicContact CB-CE2 3.9Å; H377-F410 HydrophobicContact CB-CG 4.47Å; H377-F410 HydrophobicContact CB-CZ 4.33Å; P378-F410 HydrophobicContact CG-CE2 3.96Å; P378-F410 HydrophobicContact CG-CZ 3.94Å; I400-F410 HydrophobicContact CD1-CE1 4.39Å; I400-F410 HydrophobicContact CD1-CZ 4.17Å; I400-F410 HydrophobicContact CG2-CE1 4.32Å; I400-F410 HydrophobicContact CG2-CZ 4.38Å; L402-F410 HydrophobicContact CD1-CB 3.81Å; L402-F410 HydrophobicContact CD1-CD1 4.14Å; L402-F410 HydrophobicContact CD1-CG 3.94Å; L402-F410 HydrophobicContact CD2-CB 3.91Å; L402-F410 HydrophobicContact CD2-CD1 3.78Å; L402-F410 HydrophobicContact CD2-CG 4.17Å; D406-F410 WeakPolarHBondContact O-CB 3.24Å; D406-F410 PolarHBondContact O-N 3.08Å; Q407-F410 PolarHBondContact O-N 2.76Å; F410-K412 PolarHBondContact O-N 3.33Å; F410-T413 CarbonylContact O-C 3.47Å; F410-T413 PolarHBondContact O-N 2.96Å; F410-T413 VanDerWaalsContact O-N 3.16Å; F410-L414 HydrophobicContact CE1-CB 4.22Å; F410-L414 HydrophobicContact CE1-CD2 4.22Å; F410-L414 WeakPolarHBondContact O-CB 3.42Å; F410-L414 PolarHBondContact O-N 3.1Å |
| 411 | E | 85.4 | Confident | 84.1 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 42% | 0.416 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.1 | -165.5 | -168.1 | 137.4 | 0 | 0 | 111.5 | Q407 E408 T413 L414 K415 | Q407-E411 WeakPolarHBondContact O-CB 3.34Å; Q407-E411 PolarHBondContact O-N 2.92Å; E408-E411 PolarHBondContact O-N 3.27Å; E411-T413 VanDerWaalsContact C-N 3.3Å; E411-T413 PolarHBondContact O-N 3.13Å; E411-L414 PolarHBondContact O-N 2.84Å; E411-K415 WeakPolarHBondContact O-CG 3.25Å; E411-K415 PolarHBondContact O-N 2.99Å; E411-K415 WeakPolarHBondContact OE1-CE 3.22Å; E411-K415 IonicContact OE1-NZ 2.92Å; E411-K415 PolarHBondContact OE1-NZ 2.93Å |
| 412 | K | 84.9 | Confident | 83.5 | Confident | 147 Ų | 147 | 57.8 Ų | 57.8 | 64% | 0.639 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.5 | -41.8 | 172.8 | -173 | 176.6 | -179 | -179.9 | 0 | 111.6 | E408 F410 K416 | E408-K412 PolarHBondContact O-N 3.31Å; E408-K412 VanDerWaalsContact O-N 3.17Å; F410-K412 PolarHBondContact O-N 3.33Å; K412-K416 PolarHBondContact O-N 2.76Å |
| 413 | T | 86.1 | Confident | 82.9 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 179.3 | -56 | 0 | 0 | 0 | 0 | 112 | A409 F410 E411 K415 K416 Y417 | A409-T413 WeakPolarHBondContact O-CB 3.25Å; A409-T413 PolarHBondContact O-N 3.07Å; A409-T413 PolarHBondContact O-OG1 3.03Å; F410-T413 CarbonylContact O-C 3.47Å; F410-T413 PolarHBondContact O-N 2.96Å; F410-T413 VanDerWaalsContact O-N 3.16Å; E411-T413 VanDerWaalsContact C-N 3.3Å; E411-T413 PolarHBondContact O-N 3.13Å; T413-K415 PolarHBondContact O-N 2.62Å; T413-K416 WeakPolarHBondContact O-CB 3.31Å; T413-K416 PolarHBondContact O-N 2.97Å; T413-Y417 HydrophobicContact CG2-CD1 4.45Å; T413-Y417 HydrophobicContact CG2-CD2 4.35Å; T413-Y417 HydrophobicContact CG2-CE1 3.85Å; T413-Y417 HydrophobicContact CG2-CE2 3.72Å; T413-Y417 VanDerWaalsContact CG2-CZ 3.44Å; T413-Y417 PolarHBondContact O-N 2.83Å |
| 414 | L | 85.7 | Confident | 82.2 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -37.8 | 177.7 | -177.5 | 60.9 | 0 | 0 | 0 | 111.9 | L129 V131 F384 F410 E411 K416 Y417 L418 | L129-L414 HydrophobicContact CD2-CD1 4.36Å; V131-L414 HydrophobicContact CG2-CD2 3.76Å; F384-L414 HydrophobicContact CD2-CD1 4.37Å; F384-L414 HydrophobicContact CE2-CD1 3.7Å; F384-L414 HydrophobicContact CZ-CD1 3.97Å; F410-L414 HydrophobicContact CE1-CB 4.22Å; F410-L414 HydrophobicContact CE1-CD2 4.22Å; F410-L414 WeakPolarHBondContact O-CB 3.42Å; F410-L414 PolarHBondContact O-N 3.1Å; E411-L414 PolarHBondContact O-N 2.84Å; L414-K416 VanDerWaalsContact C-N 3.32Å; L414-K416 PolarHBondContact O-N 3.19Å; L414-Y417 PolarHBondContact O-N 3.06Å; L414-Y417 VanDerWaalsContact O-N 3.16Å; L414-L418 HydrophobicContact CD1-CG 4.36Å; L414-L418 HydrophobicContact CG-CD1 4.23Å; L414-L418 WeakPolarHBondContact O-CG 3.13Å; L414-L418 PolarHBondContact O-N 2.89Å |
| 415 | K | 85.4 | Confident | 81.5 | Confident | 128 Ų | 128 | 58.2 Ų | 58.2 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.5 | -41.4 | 172.2 | -73.4 | 171.3 | -174.9 | 170.4 | 0 | 111.5 | E411 T413 A419 | E411-K415 WeakPolarHBondContact O-CG 3.25Å; E411-K415 PolarHBondContact O-N 2.99Å; E411-K415 WeakPolarHBondContact OE1-CE 3.22Å; E411-K415 IonicContact OE1-NZ 2.92Å; E411-K415 PolarHBondContact OE1-NZ 2.93Å; T413-K415 PolarHBondContact O-N 2.62Å; K415-A419 WeakPolarHBondContact O-CB 3.12Å; K415-A419 PolarHBondContact O-N 2.87Å |
| 416 | K | 84.9 | Confident | 80.7 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 18% | 0.183 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 170.7 | -64.5 | -172.6 | 174.7 | -150.5 | 0 | 112.1 | E92 K412 T413 L414 L418 A419 F420 | E92-K416 VanDerWaalsContact OE1-CE 3.31Å; E92-K416 WeakPolarHBondContact OE1-CE 3.35Å; E92-K416 IonicContact OE1-NZ 3.41Å; E92-K416 PolarHBondContact OE1-NZ 2.91Å; E92-K416 WeakPolarHBondContact OE2-CE 3.27Å; E92-K416 IonicContact OE2-NZ 2.68Å; E92-K416 PolarHBondContact OE2-NZ 3.34Å; K412-K416 PolarHBondContact O-N 2.76Å; T413-K416 WeakPolarHBondContact O-CB 3.31Å; T413-K416 PolarHBondContact O-N 2.97Å; L414-K416 VanDerWaalsContact C-N 3.32Å; L414-K416 PolarHBondContact O-N 3.19Å; K416-L418 VanDerWaalsContact C-N 3.34Å; K416-L418 PolarHBondContact O-N 2.85Å; K416-A419 WeakPolarHBondContact O-CB 3.41Å; K416-A419 PolarHBondContact O-N 2.6Å; K416-A419 VanDerWaalsContact O-N 3.12Å; K416-F420 HydrophobicContact CB-CD2 4.49Å; K416-F420 HydrophobicContact CB-CE2 3.95Å; K416-F420 HydrophobicContact CB-CZ 4.34Å; K416-F420 VanDerWaalsContact O-CD2 3.24Å; K416-F420 WeakPolarHBondContact O-CD2 3.05Å; K416-F420 VanDerWaalsContact O-CG 3.32Å; K416-F420 WeakPolarHBondContact O-CG 3.44Å; K416-F420 PolarHBondContact O-N 3.45Å |
| 417 | Y | 84.5 | Confident | 79.7 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -38.5 | -179.5 | -67.3 | -8.2 | 0 | 0 | 0 | 113 | D89 S380 Y381 F384 T413 L414 F420 E421 | D89-Y417 VanDerWaalsContact OD1-CE1 3.23Å; D89-Y417 WeakPolarHBondContact OD1-CE1 3.3Å; D89-Y417 PolarHBondContact OD1-OH 3.27Å; S380-Y417 VanDerWaalsContact C-OH 3.27Å; S380-Y417 WeakPolarHBondContact CA-OH 3.39Å; S380-Y417 PolarHBondContact N-OH 3.49Å; Y381-Y417 HydrophobicContact CD2-CD1 4.01Å; Y381-Y417 HydrophobicContact CD2-CG 4.01Å; Y381-Y417 VanDerWaalsContact CE2-O 3.23Å; Y381-Y417 WeakPolarHBondContact CE2-O 3.41Å; Y381-Y417 HydrophobicContact CG-CD1 4.4Å; Y381-Y417 VanDerWaalsContact N-CZ 3.33Å; Y381-Y417 PolarHBondContact N-OH 2.66Å; F384-Y417 HydrophobicContact CB-CD2 4Å; F384-Y417 HydrophobicContact CB-CE2 4.36Å; F384-Y417 HydrophobicContact CD1-CD2 4.45Å; F384-Y417 HydrophobicContact CG-CD2 4.14Å; T413-Y417 HydrophobicContact CG2-CD1 4.45Å; T413-Y417 HydrophobicContact CG2-CD2 4.35Å; T413-Y417 HydrophobicContact CG2-CE1 3.85Å; T413-Y417 HydrophobicContact CG2-CE2 3.72Å; T413-Y417 VanDerWaalsContact CG2-CZ 3.44Å; T413-Y417 PolarHBondContact O-N 2.83Å; L414-Y417 PolarHBondContact O-N 3.06Å; L414-Y417 VanDerWaalsContact O-N 3.16Å; Y417-F420 HydrophobicContact CD1-CD2 4.07Å; Y417-F420 HydrophobicContact CD1-CE2 4.26Å; Y417-F420 PolarHBondContact O-N 3.28Å; Y417-E421 WeakPolarHBondContact O-CB 3.23Å; Y417-E421 PolarHBondContact O-N 2.81Å |
| 418 | L | 83.3 | Confident | 78.3 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.3 | -32.5 | 174.1 | -65.9 | 172.6 | 0 | 0 | 0 | 112.4 | L129 F384 L414 K416 T422 | L129-L418 HydrophobicContact CD2-CD2 4.28Å; F384-L418 HydrophobicContact CZ-CD2 4.23Å; L414-L418 HydrophobicContact CD1-CG 4.36Å; L414-L418 HydrophobicContact CG-CD1 4.23Å; L414-L418 WeakPolarHBondContact O-CG 3.13Å; L414-L418 PolarHBondContact O-N 2.89Å; K416-L418 VanDerWaalsContact C-N 3.34Å; K416-L418 PolarHBondContact O-N 2.85Å; L418-T422 WeakPolarHBondContact O-CB 3.47Å; L418-T422 PolarHBondContact O-N 2.85Å; L418-T422 PolarHBondContact O-OG1 2.94Å |
| 419 | A | 82.2 | Confident | 76.5 | Confident | 32 Ų | 32 | 52 Ų | 52 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | P93 K415 K416 T422 I423 | P93-A419 HydrophobicContact CB-CB 4.11Å; P93-A419 HydrophobicContact CG-CB 3.79Å; K415-A419 WeakPolarHBondContact O-CB 3.12Å; K415-A419 PolarHBondContact O-N 2.87Å; K416-A419 WeakPolarHBondContact O-CB 3.41Å; K416-A419 PolarHBondContact O-N 2.6Å; K416-A419 VanDerWaalsContact O-N 3.12Å; A419-T422 PolarHBondContact O-N 3.32Å; A419-I423 WeakPolarHBondContact O-CB 3.35Å; A419-I423 WeakPolarHBondContact O-CG1 3.31Å; A419-I423 PolarHBondContact O-N 2.68Å |
| 420 | F | 78.5 | Confident | 74.7 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.7 | -60.5 | -41.8 | 0 | 0 | 0 | 111.9 | F88 P93 L96 Y381 K416 Y417 T422 I423 L424 | F88-F420 HydrophobicContact CB-CD2 3.85Å; F88-F420 HydrophobicContact CB-CE1 4.34Å; F88-F420 HydrophobicContact CB-CE2 3.54Å; F88-F420 HydrophobicContact CB-CG 4.41Å; F88-F420 HydrophobicContact CB-CZ 3.8Å; F88-F420 HydrophobicContact CD1-CD1 4.48Å; F88-F420 HydrophobicContact CG-CD2 4.34Å; F88-F420 HydrophobicContact CG-CE2 4.44Å; F88-F420 WeakPolarHBondContact O-CZ 3.13Å; P93-F420 HydrophobicContact CB-CE1 4.34Å; P93-F420 HydrophobicContact CG-CD1 4.41Å; P93-F420 HydrophobicContact CG-CE1 4Å; L96-F420 HydrophobicContact CD2-CD1 3.61Å; L96-F420 HydrophobicContact CD2-CE1 3.88Å; Y381-F420 HydrophobicContact CD2-CB 4.08Å; Y381-F420 HydrophobicContact CD2-CD2 4.25Å; Y381-F420 HydrophobicContact CE2-CB 4.02Å; Y381-F420 HydrophobicContact CG-CB 4.46Å; Y381-F420 HydrophobicContact CG-CD2 4.34Å; K416-F420 HydrophobicContact CB-CD2 4.49Å; K416-F420 HydrophobicContact CB-CE2 3.95Å; K416-F420 HydrophobicContact CB-CZ 4.34Å; K416-F420 VanDerWaalsContact O-CD2 3.24Å; K416-F420 WeakPolarHBondContact O-CD2 3.05Å; K416-F420 VanDerWaalsContact O-CG 3.32Å; K416-F420 WeakPolarHBondContact O-CG 3.44Å; K416-F420 PolarHBondContact O-N 3.45Å; Y417-F420 HydrophobicContact CD1-CD2 4.07Å; Y417-F420 HydrophobicContact CD1-CE2 4.26Å; Y417-F420 PolarHBondContact O-N 3.28Å; F420-T422 VanDerWaalsContact C-N 3.29Å; F420-T422 PolarHBondContact O-N 3.4Å; F420-I423 PolarHBondContact O-N 2.71Å; F420-L424 WeakPolarHBondContact O-CB 3.44Å; F420-L424 WeakPolarHBondContact O-CG 3.4Å; F420-L424 PolarHBondContact O-N 3.11Å |
| 421 | E | 74.5 | Confident | 72.5 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.6 | -44.4 | 173.2 | -173.1 | -179.1 | 152.4 | 0 | 0 | 111.3 | I117 R121 Y381 K388 Y417 L425 | I117-E421 HydrophobicContact CD1-CG 4.04Å; R121-E421 IonicContact CZ-OE1 2.96Å; R121-E421 IonicContact NH1-OE1 2.69Å; R121-E421 PolarHBondContact NH1-OE1 3.46Å; R121-E421 IonicContact NH2-OE1 3.57Å; Y381-E421 HydrophobicContact CE2-CB 4.26Å; Y381-E421 WeakPolarHBondContact OH-CA 3.42Å; K388-E421 IonicContact NZ-OE1 3.73Å; K388-E421 PolarHBondContact NZ-OE1 2.62Å; K388-E421 IonicContact NZ-OE2 2.85Å; K388-E421 PolarHBondContact NZ-OE2 2.88Å; Y417-E421 WeakPolarHBondContact O-CB 3.23Å; Y417-E421 PolarHBondContact O-N 2.81Å; E421-L425 HydrophobicContact CG-CD1 3.93Å; E421-L425 VanDerWaalsContact O-CB 3.32Å; E421-L425 WeakPolarHBondContact O-CB 3.19Å; E421-L425 WeakPolarHBondContact O-CD1 3.38Å; E421-L425 WeakPolarHBondContact O-CG 3.46Å; E421-L425 PolarHBondContact O-N 3.41Å |
| 422 | T | 76.4 | Confident | 70.5 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | L418 A419 F420 K426 | L418-T422 WeakPolarHBondContact O-CB 3.47Å; L418-T422 PolarHBondContact O-N 2.85Å; L418-T422 PolarHBondContact O-OG1 2.94Å; A419-T422 PolarHBondContact O-N 3.32Å; F420-T422 VanDerWaalsContact C-N 3.29Å; F420-T422 PolarHBondContact O-N 3.4Å; T422-K426 HydrophobicContact CG2-CD 4.47Å; T422-K426 WeakPolarHBondContact O-CG 3.1Å; T422-K426 PolarHBondContact O-N 3.25Å |
| 423 | I | 75.4 | Confident | 68.4 | Low | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 175.9 | -78.3 | 163 | 0 | 0 | 0 | 110.8 | P93 M97 A419 F420 L425 K426 R427 | P93-I423 HydrophobicContact CB-CD1 3.65Å; P93-I423 WeakPolarHBondContact O-CD1 3.43Å; M97-I423 HydrophobicContact CG-CD1 3.95Å; M97-I423 HydrophobicContact CG-CG1 4.09Å; M97-I423 HydrophobicContact CG-CG2 4.22Å; M97-I423 HydrophobicContact SD-CB 4.35Å; M97-I423 HydrophobicContact SD-CG1 4.07Å; M97-I423 HydrophobicContact SD-CG2 3.54Å; M97-I423 VanDerWaalsContact SD-CG2 3.54Å; A419-I423 WeakPolarHBondContact O-CB 3.35Å; A419-I423 WeakPolarHBondContact O-CG1 3.31Å; A419-I423 PolarHBondContact O-N 2.68Å; F420-I423 PolarHBondContact O-N 2.71Å; I423-L425 VanDerWaalsContact C-N 3.35Å; I423-L425 PolarHBondContact O-N 2.88Å; I423-K426 PolarHBondContact O-N 3.02Å; I423-R427 PolarHBondContact O-N 3.46Å |
| 424 | L | 70.3 | Confident | 66.1 | Low | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | -179.4 | -66 | 169 | 0 | 0 | 0 | 111 | F88 F100 A113 Y381 F420 R427 T428 | F88-L424 HydrophobicContact CE2-CD1 4.44Å; F88-L424 HydrophobicContact CZ-CD1 4.07Å; F88-L424 HydrophobicContact CZ-CD2 4.43Å; F100-L424 HydrophobicContact CE2-CD2 3.93Å; F100-L424 HydrophobicContact CZ-CD2 4.35Å; A113-L424 HydrophobicContact CB-CD2 3.77Å; Y381-L424 HydrophobicContact CE1-CD1 3.67Å; F420-L424 WeakPolarHBondContact O-CB 3.44Å; F420-L424 WeakPolarHBondContact O-CG 3.4Å; F420-L424 PolarHBondContact O-N 3.11Å; L424-R427 PolarHBondContact O-N 2.78Å; L424-T428 WeakPolarHBondContact O-CB 3.39Å; L424-T428 WeakPolarHBondContact O-CG2 3.35Å; L424-T428 PolarHBondContact O-N 2.79Å; L424-T428 PolarHBondContact O-OG1 3.21Å |
| 425 | L | 67.2 | Low | 63.8 | Low | 42 Ų | 42 | 60.4 Ų | 60.4 | 22% | 0.22 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 172.3 | -76 | 165 | 0 | 0 | 0 | 112.4 | L118 E421 I423 T428 | L118-L425 HydrophobicContact CD2-CD2 3.7Å; E421-L425 HydrophobicContact CG-CD1 3.93Å; E421-L425 VanDerWaalsContact O-CB 3.32Å; E421-L425 WeakPolarHBondContact O-CB 3.19Å; E421-L425 WeakPolarHBondContact O-CD1 3.38Å; E421-L425 WeakPolarHBondContact O-CG 3.46Å; E421-L425 PolarHBondContact O-N 3.41Å; I423-L425 VanDerWaalsContact C-N 3.35Å; I423-L425 PolarHBondContact O-N 2.88Å; L425-T428 PolarHBondContact O-N 3.44Å; L425-T428 PolarHBondContact O-OG1 3.06Å |
| 426 | K | 66.6 | Low | 61.6 | Low | 166 Ų | 166 | 57.1 Ų | 57.1 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66 | -36.7 | 177.8 | -76.2 | 179.3 | 177.1 | -174.6 | 0 | 112.9 | T422 I423 | T422-K426 HydrophobicContact CG2-CD 4.47Å; T422-K426 WeakPolarHBondContact O-CG 3.1Å; T422-K426 PolarHBondContact O-N 3.25Å; I423-K426 PolarHBondContact O-N 3.02Å |
| 427 | R | 61.4 | Low | 59.3 | Low | 55 Ų | 55 | 62 Ų | 62 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -81.2 | -19.2 | 177.5 | -101.5 | -179 | 153.4 | 119.3 | -3.2 | 114.5 | M97 F100 T101 E104 I423 L424 A429 | M97-R427 PolarHBondContact O-NH1 2.9Å; M97-R427 PolarHBondContact SD-NH1 2.74Å; F100-R427 VanDerWaalsContact CB-CZ 3.48Å; T101-R427 VanDerWaalsContact N-NH2 3.18Å; T101-R427 PolarHBondContact OG1-NH2 3.29Å; E104-R427 IonicContact OE1-NE 3.58Å; E104-R427 IonicContact OE2-CZ 2.87Å; E104-R427 IonicContact OE2-NE 2.84Å; E104-R427 PolarHBondContact OE2-NE 2.86Å; E104-R427 IonicContact OE2-NH2 2.69Å; E104-R427 PolarHBondContact OE2-NH2 3.12Å; I423-R427 PolarHBondContact O-N 3.46Å; L424-R427 PolarHBondContact O-N 2.78Å; R427-A429 VanDerWaalsContact C-N 3.35Å |
| 428 | T | 55.2 | Low | 57 | Low | 25 Ų | 25 | 68.3 Ų | 68.3 | 15% | 0.153 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7 | 176.7 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | A113 L118 L424 L425 A430 | A113-T428 HydrophobicContact CB-CG2 3.74Å; A113-T428 WeakPolarHBondContact O-CG2 3.23Å; L118-T428 HydrophobicContact CD1-CG2 4.18Å; L424-T428 WeakPolarHBondContact O-CB 3.39Å; L424-T428 WeakPolarHBondContact O-CG2 3.35Å; L424-T428 PolarHBondContact O-N 2.79Å; L424-T428 PolarHBondContact O-OG1 3.21Å; L425-T428 PolarHBondContact O-N 3.44Å; L425-T428 PolarHBondContact O-OG1 3.06Å; T428-A430 WeakPolarHBondContact O-CB 3.49Å; T428-A430 PolarHBondContact O-N 3.36Å |
| 429 | A | 48.1 | Very low | 54.9 | Low | 39 Ų | 39 | 67.7 Ų | 67.7 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | trans | -66.5 | 120.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | R427 V431 | R427-A429 VanDerWaalsContact C-N 3.35Å; A429-V431 HydrophobicContact CB-CG2 3.75Å | ||
| 430 | A | 47 | Very low | 52.7 | Low | 34 Ų | 34 | 72.7 Ų | 72.7 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | cis | 50 | 34.8 | 18.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T428 D432 L433 | T428-A430 WeakPolarHBondContact O-CB 3.49Å; T428-A430 PolarHBondContact O-N 3.36Å; A430-D432 PolarHBondContact O-N 2.83Å; A430-L433 PolarHBondContact O-N 3.48Å; A430-L433 VanDerWaalsContact O-N 3.17Å | ||
| 431 | V | 40.2 | Very low | 51 | Low | 78 Ų | 78 | 77.3 Ų | 77.3 | 47% | 0.473 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -54.5 | -43.1 | 172.4 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | A429 L433 L434 D435 | A429-V431 HydrophobicContact CB-CG2 3.75Å; V431-L433 PolarHBondContact O-N 2.95Å; V431-L434 PolarHBondContact O-N 2.98Å; V431-D435 PolarHBondContact O-N 3Å |
| 432 | D | 42.6 | Very low | 49.4 | Very low | 146 Ų | 146 | 79.7 Ų | 79.7 | 78% | 0.781 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -65.1 | 2.8 | 178.7 | -41.5 | -32.4 | 0 | 0 | 0 | 115.4 | A430 | A430-D432 PolarHBondContact O-N 2.83Š|
| 433 | L | 40.7 | Very low | 47.7 | Very low | 82 Ų | 82 | 79.1 Ų | 79.1 | 43% | 0.429 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -134.5 | 8 | 177.1 | -73.1 | 177 | 0 | 0 | 0 | 114.1 | A430 V431 | A430-L433 PolarHBondContact O-N 3.48Å; A430-L433 VanDerWaalsContact O-N 3.17Å; V431-L433 PolarHBondContact O-N 2.95Å |
| 434 | L | 37.7 | Very low | 46 | Very low | 107 Ų | 107 | 82.6 Ų | 82.6 | 56% | 0.56 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | -22 | 178.5 | -73.8 | 175.4 | 0 | 0 | 0 | 114.4 | V431 E436 N437 | V431-L434 PolarHBondContact O-N 2.98Å; L434-E436 PolarHBondContact O-N 3.47Å; L434-N437 PolarHBondContact O-N 3.41Å |
| 435 | D | 38.5 | Very low | 44.7 | Very low | 113 Ų | 113 | 86.7 Ų | 86.7 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -70.8 | -8.4 | 166.9 | -84.2 | -22.3 | 0 | 0 | 0 | 112.9 | V431 N437 N438 | V431-D435 PolarHBondContact O-N 3Å; D435-N437 PolarHBondContact O-N 2.66Å; D435-N437 VanDerWaalsContact O-N 3.1Å; D435-N438 WeakPolarHBondContact O-CB 3.42Å; D435-N438 PolarHBondContact O-N 2.96Å |
| 436 | E | 38.7 | Very low | 43.5 | Very low | 58 Ų | 58 | 88.9 Ų | 88.9 | 27% | 0.271 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -63.5 | -8.2 | 169 | -67.1 | -165.4 | 138.8 | 0 | 0 | 114 | L434 N438 C439 S531 R533 | L434-E436 PolarHBondContact O-N 3.47Å; E436-N438 PolarHBondContact O-N 3.16Å; E436-C439 WeakPolarHBondContact O-CB 3.38Å; E436-C439 PolarHBondContact O-N 2.94Å; E436-S531 VanDerWaalsContact OE1-CB 3.25Å; E436-S531 WeakPolarHBondContact OE1-CB 3.32Å; E436-S531 PolarHBondContact OE1-OG 3.02Å; E436-R533 WeakPolarHBondContact OE2-CB 3.31Å; E436-R533 VanDerWaalsContact OE2-CD 3.27Å; E436-R533 WeakPolarHBondContact OE2-CD 3.24Å |
| 437 | N | 36.6 | Very low | 42.5 | Very low | 146 Ų | 146 | 81.8 Ų | 81.8 | 78% | 0.781 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -69.4 | -7.1 | 164.1 | -74.9 | -49.2 | 0 | 0 | 0 | 113.1 | L434 D435 | L434-N437 PolarHBondContact O-N 3.41Å; D435-N437 PolarHBondContact O-N 2.66Å; D435-N437 VanDerWaalsContact O-N 3.1Å |
| 438 | N | 36.9 | Very low | 41.7 | Very low | 137 Ų | 137 | 83 Ų | 83 | 73% | 0.733 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -102.1 | 15.8 | 163.6 | -91.8 | -27.9 | 0 | 0 | 0 | 112.9 | D435 E436 K440 | D435-N438 WeakPolarHBondContact O-CB 3.42Å; D435-N438 PolarHBondContact O-N 2.96Å; E436-N438 PolarHBondContact O-N 3.16Å; N438-K440 PolarHBondContact O-N 3.13Å; N438-K440 VanDerWaalsContact O-N 3.08Å |
| 439 | C | 37.6 | Very low | 41.1 | Very low | 53 Ų | 53 | 87 Ų | 87 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -54.6 | 116.1 | 155.1 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | E436 E443 | E436-C439 WeakPolarHBondContact O-CB 3.38Å; E436-C439 PolarHBondContact O-N 2.94Å; C439-E443 WeakPolarHBondContact CA-OE2 3.47Å; C439-E443 VanDerWaalsContact SG-CB 3.52Å; C439-E443 PolarHBondContact SG-OE2 3.19Å |
| 440 | K | 36.9 | Very low | 40.8 | Very low | 137 Ų | 137 | 88.9 Ų | 88.9 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | trans | -65.5 | 149.5 | -168.3 | -69.2 | 167.3 | -174.9 | 159.6 | 0 | 108.6 | N438 S442 E443 L444 | N438-K440 PolarHBondContact O-N 3.13Å; N438-K440 VanDerWaalsContact O-N 3.08Å; K440-S442 VanDerWaalsContact CB-OG 3.3Å; K440-S442 WeakPolarHBondContact CB-OG 3.32Å; K440-S442 PolarHBondContact O-N 3.4Å; K440-E443 PolarHBondContact N-OE2 3.34Å; K440-E443 PolarHBondContact O-N 3.41Å; K440-L444 PolarHBondContact O-N 3.49Å | ||
| 441 | S | 42.5 | Very low | 40.6 | Very low | 98 Ų | 98 | 90.3 Ų | 90.3 | 69% | 0.685 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -55.5 | -22.5 | 174.2 | 48.7 | 0 | 0 | 0 | 0 | 113 | N445 | S441-N445 VanDerWaalsContact O-CB 3.29Å; S441-N445 WeakPolarHBondContact O-CB 3.34Å; S441-N445 PolarHBondContact O-N 3.2Å; S441-N445 VanDerWaalsContact O-N 3.17Å; S441-N445 PolarHBondContact O-ND2 3.14Å |
| 442 | S | 40.1 | Very low | 40.7 | Very low | 57 Ų | 57 | 90.4 Ų | 90.4 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -34.5 | 168.7 | 56.1 | 0 | 0 | 0 | 0 | 115 | K440 N446 | K440-S442 VanDerWaalsContact CB-OG 3.3Å; K440-S442 WeakPolarHBondContact CB-OG 3.32Å; K440-S442 PolarHBondContact O-N 3.4Å; S442-N446 WeakPolarHBondContact O-CB 3.42Å; S442-N446 PolarHBondContact O-N 2.84Å; S442-N446 PolarHBondContact O-OD1 2.81Å; S442-N446 VanDerWaalsContact O-OD1 3.13Å |
| 443 | E | 40.6 | Very low | 40.5 | Very low | 60 Ų | 60 | 89.8 Ų | 89.8 | 28% | 0.28 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -79.5 | -38.8 | -176.5 | -74.3 | 162.5 | 170.3 | 0 | 0 | 111.9 | C439 K440 N445 N446 L447 | C439-E443 WeakPolarHBondContact CA-OE2 3.47Å; C439-E443 VanDerWaalsContact SG-CB 3.52Å; C439-E443 PolarHBondContact SG-OE2 3.19Å; K440-E443 PolarHBondContact N-OE2 3.34Å; K440-E443 PolarHBondContact O-N 3.41Å; E443-N445 VanDerWaalsContact C-N 3.31Å; E443-N446 WeakPolarHBondContact O-CB 3.37Å; E443-N446 PolarHBondContact O-N 3.16Å; E443-L447 PolarHBondContact O-N 3.23Å |
| 444 | L | 40.8 | Very low | 40.5 | Very low | 94 Ų | 94 | 90.7 Ų | 90.7 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 168.6 | -165.6 | 70.4 | 0 | 0 | 0 | 110.4 | K440 N446 L447 T448 | K440-L444 PolarHBondContact O-N 3.49Å; L444-N446 VanDerWaalsContact C-N 3.33Å; L444-N446 PolarHBondContact O-N 2.67Å; L444-L447 WeakPolarHBondContact O-CB 3.31Å; L444-L447 PolarHBondContact O-N 3.45Å; L444-L447 VanDerWaalsContact O-N 3.15Å; L444-T448 PolarHBondContact O-N 3.04Å; L444-T448 PolarHBondContact O-OG1 2.96Å; L444-T448 VanDerWaalsContact O-OG1 3.11Å |
| 445 | N | 41.9 | Very low | 40.2 | Very low | 94 Ų | 94 | 87.8 Ų | 87.8 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 171.9 | -75.9 | -8.1 | 0 | 0 | 0 | 112.8 | S441 E443 L447 T448 Q449 | S441-N445 VanDerWaalsContact O-CB 3.29Å; S441-N445 WeakPolarHBondContact O-CB 3.34Å; S441-N445 PolarHBondContact O-N 3.2Å; S441-N445 VanDerWaalsContact O-N 3.17Å; S441-N445 PolarHBondContact O-ND2 3.14Å; E443-N445 VanDerWaalsContact C-N 3.31Å; N445-L447 VanDerWaalsContact C-N 3.31Å; N445-L447 PolarHBondContact O-N 3.14Å; N445-T448 PolarHBondContact O-N 3.08Å; N445-Q449 VanDerWaalsContact O-CB 3.32Å; N445-Q449 WeakPolarHBondContact O-CB 3.46Å; N445-Q449 WeakPolarHBondContact O-CG 3.42Å; N445-Q449 PolarHBondContact O-N 3.42Å |
| 446 | N | 43.9 | Very low | 39.9 | Very low | 88 Ų | 88 | 86 Ų | 86 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -33.3 | 174.5 | -72.5 | -7 | 0 | 0 | 0 | 111.8 | S442 E443 L444 Q449 L450 | S442-N446 WeakPolarHBondContact O-CB 3.42Å; S442-N446 PolarHBondContact O-N 2.84Å; S442-N446 PolarHBondContact O-OD1 2.81Å; S442-N446 VanDerWaalsContact O-OD1 3.13Å; E443-N446 WeakPolarHBondContact O-CB 3.37Å; E443-N446 PolarHBondContact O-N 3.16Å; L444-N446 VanDerWaalsContact C-N 3.33Å; L444-N446 PolarHBondContact O-N 2.67Å; N446-Q449 CarbonylContact O-C 3.58Å; N446-Q449 PolarHBondContact O-N 3.15Å; N446-L450 PolarHBondContact O-N 3.2Å |
| 447 | L | 44.4 | Very low | 39.6 | Very low | 16 Ų | 16 | 88.5 Ų | 88.5 | 8% | 0.084 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -71.6 | -40.1 | 172.5 | -94.1 | 160.9 | 0 | 0 | 0 | 112.5 | E443 L444 N445 Q449 L450 A451 L468 M529 | E443-L447 PolarHBondContact O-N 3.23Å; L444-L447 WeakPolarHBondContact O-CB 3.31Å; L444-L447 PolarHBondContact O-N 3.45Å; L444-L447 VanDerWaalsContact O-N 3.15Å; N445-L447 VanDerWaalsContact C-N 3.31Å; N445-L447 PolarHBondContact O-N 3.14Å; L447-Q449 VanDerWaalsContact C-N 3.31Å; L447-L450 PolarHBondContact O-N 2.88Å; L447-A451 PolarHBondContact O-N 2.93Å; L447-L468 HydrophobicContact CB-CD2 4.36Å; L447-L468 HydrophobicContact CD1-CD2 3.85Å; L447-L468 HydrophobicContact CD2-CD1 4.49Å; L447-L468 HydrophobicContact CD2-CD2 4.09Å; L447-L468 HydrophobicContact CG-CD2 4.33Å; L447-M529 HydrophobicContact CD1-CE 3.88Å; L447-M529 HydrophobicContact CD2-CE 3.68Å; L447-M529 HydrophobicContact CG-CE 3.85Å |
| 448 | T | 45.8 | Very low | 39.6 | Very low | 82 Ų | 82 | 90.9 Ų | 90.9 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 170.1 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | L444 N445 A451 S452 | L444-T448 PolarHBondContact O-N 3.04Å; L444-T448 PolarHBondContact O-OG1 2.96Å; L444-T448 VanDerWaalsContact O-OG1 3.11Å; N445-T448 PolarHBondContact O-N 3.08Å; T448-A451 PolarHBondContact O-N 3.48Å; T448-S452 PolarHBondContact O-N 3.42Å; T448-S452 VanDerWaalsContact O-N 3.13Å; T448-S452 PolarHBondContact O-OG 2.94Å |
| 449 | Q | 41.9 | Very low | 39.7 | Very low | 108 Ų | 108 | 89 Ų | 89 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.9 | -34.7 | 172 | -78.8 | -175.8 | -3.9 | 0 | 0 | 112.1 | N445 N446 L447 S452 L453 | N445-Q449 VanDerWaalsContact O-CB 3.32Å; N445-Q449 WeakPolarHBondContact O-CB 3.46Å; N445-Q449 WeakPolarHBondContact O-CG 3.42Å; N445-Q449 PolarHBondContact O-N 3.42Å; N446-Q449 CarbonylContact O-C 3.58Å; N446-Q449 PolarHBondContact O-N 3.15Å; L447-Q449 VanDerWaalsContact C-N 3.31Å; Q449-S452 CarbonylContact O-C 3.6Å; Q449-S452 WeakPolarHBondContact O-CA 3.3Å; Q449-S452 WeakPolarHBondContact O-CB 3.28Å; Q449-S452 PolarHBondContact O-N 2.98Å; Q449-L453 HydrophobicContact CB-CD1 4.26Å; Q449-L453 VanDerWaalsContact O-CB 3.24Å; Q449-L453 WeakPolarHBondContact O-CB 3.32Å; Q449-L453 WeakPolarHBondContact O-CG 3.37Å; Q449-L453 PolarHBondContact O-N 3.47Å |
| 450 | L | 42.6 | Very low | 39.9 | Very low | 78 Ų | 78 | 94.1 Ų | 94.1 | 41% | 0.408 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 171.4 | -86.4 | 165.1 | 0 | 0 | 0 | 111.7 | N446 L447 S452 L453 V454 | N446-L450 PolarHBondContact O-N 3.2Å; L447-L450 PolarHBondContact O-N 2.88Å; L450-S452 PolarHBondContact O-N 3.45Å; L450-L453 PolarHBondContact O-N 3.23Å; L450-V454 WeakPolarHBondContact O-CG2 3.41Å; L450-V454 PolarHBondContact O-N 2.82Å |
| 451 | A | 42.5 | Very low | 40.2 | Very low | 64 Ų | 64 | 95.2 Ų | 95.2 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.2 | -20.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L447 T448 | L447-A451 PolarHBondContact O-N 2.93Å; T448-A451 PolarHBondContact O-N 3.48Å |
| 452 | S | 40.9 | Very low | 40.3 | Very low | 81 Ų | 81 | 93.1 Ų | 93.1 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -91.8 | -33.6 | 174.3 | -49.3 | 0 | 0 | 0 | 0 | 113.3 | T448 Q449 L450 G455 | T448-S452 PolarHBondContact O-N 3.42Å; T448-S452 VanDerWaalsContact O-N 3.13Å; T448-S452 PolarHBondContact O-OG 2.94Å; Q449-S452 CarbonylContact O-C 3.6Å; Q449-S452 WeakPolarHBondContact O-CA 3.3Å; Q449-S452 WeakPolarHBondContact O-CB 3.28Å; Q449-S452 PolarHBondContact O-N 2.98Å; L450-S452 PolarHBondContact O-N 3.45Å; S452-G455 PolarHBondContact O-N 3.04Å |
| 453 | L | 39.2 | Very low | 40.6 | Very low | 133 Ų | 133 | 94.2 Ų | 94.2 | 70% | 0.696 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -86.7 | -23.7 | -172.5 | -82.5 | 160.8 | 0 | 0 | 0 | 113.4 | Q449 L450 G455 | Q449-L453 HydrophobicContact CB-CD1 4.26Å; Q449-L453 VanDerWaalsContact O-CB 3.24Å; Q449-L453 WeakPolarHBondContact O-CB 3.32Å; Q449-L453 WeakPolarHBondContact O-CG 3.37Å; Q449-L453 PolarHBondContact O-N 3.47Å; L450-L453 PolarHBondContact O-N 3.23Å; L453-G455 PolarHBondContact O-N 2.73Å |
| 454 | V | 39.8 | Very low | 41 | Very low | 101 Ų | 101 | 94.8 Ų | 94.8 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -75.3 | -9.6 | 166.9 | -179.8 | 0 | 0 | 0 | 0 | 111 | L450 G456 | L450-V454 WeakPolarHBondContact O-CG2 3.41Å; L450-V454 PolarHBondContact O-N 2.82Å; V454-G456 PolarHBondContact O-N 3.27Å |
| 455 | G | 32.4 | Very low | 41.5 | Very low | 45 Ų | 45 | 96 Ų | 96 | 46% | 0.464 | 57% | 0.571 | S | S | . | * | trans | -71.6 | 51.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S452 L453 T457 | S452-G455 PolarHBondContact O-N 3.04Å; L453-G455 PolarHBondContact O-N 2.73Å; G455-T457 PolarHBondContact O-N 3.43Å | ||
| 456 | G | 33 | Very low | 42.1 | Very low | 75 Ų | 75 | 94 Ų | 94 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | trans | -73.8 | -6.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V454 | V454-G456 PolarHBondContact O-N 3.27Š| ||
| 457 | T | 31.8 | Very low | 43 | Very low | 111 Ų | 111 | 95 Ų | 95 | 68% | 0.681 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -133.6 | 142.9 | 179.6 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | G455 L459 | G455-T457 PolarHBondContact O-N 3.43Å; T457-L459 PolarHBondContact O-N 3.2Å |
| 458 | Q | 35.8 | Very low | 43.8 | Very low | 196 Ų | 196 | 95.1 Ų | 95.1 | 92% | 0.916 | 57% | 0.566 | S | S | * | * | trans | -50.6 | 125.6 | -171.5 | -62.8 | 170.1 | -3.9 | 0 | 0 | 113 | ||||
| 459 | L | 39.7 | Very low | 44.6 | Very low | 97 Ų | 97 | 95.8 Ų | 95.8 | 51% | 0.508 | 57% | 0.567 | S | S | . | * | trans | -145.9 | 24.9 | -177 | -102.1 | 167.3 | 0 | 0 | 0 | 112.8 | T457 D461 L462 | T457-L459 PolarHBondContact O-N 3.2Å; L459-D461 VanDerWaalsContact C-N 3.27Å; L459-D461 PolarHBondContact O-N 2.97Å; L459-L462 HydrophobicContact CD2-CD1 3.7Å; L459-L462 HydrophobicContact CD2-CG 4.08Å | ||
| 460 | N | 40.7 | Very low | 46 | Very low | 162 Ų | 162 | 93.3 Ų | 93.3 | 87% | 0.866 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -11.2 | -175.4 | -80.2 | 0.4 | 0 | 0 | 0 | 114.6 | ||
| 461 | D | 44 | Very low | 47.6 | Very low | 160 Ų | 160 | 89.6 Ų | 89.6 | 86% | 0.856 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -0.8 | -171.9 | -56.5 | -50.6 | 0 | 0 | 0 | 114.1 | L459 S463 | L459-D461 VanDerWaalsContact C-N 3.27Å; L459-D461 PolarHBondContact O-N 2.97Å; D461-S463 PolarHBondContact O-N 3.02Å |
| 462 | L | 44.2 | Very low | 49.1 | Very low | 54 Ų | 54 | 88.2 Ų | 88.2 | 28% | 0.283 | 53% | 0.525 | S | S | . | . | trans | -72.9 | 110.1 | 176.6 | -78 | 180 | 0 | 0 | 0 | 111.9 | L459 V464 D555 F557 | L459-L462 HydrophobicContact CD2-CD1 3.7Å; L459-L462 HydrophobicContact CD2-CG 4.08Å; L462-V464 PolarHBondContact O-N 3.45Å; L462-D555 HydrophobicContact CD2-CB 4.1Å; L462-F557 HydrophobicContact CD1-CE2 4.16Å; L462-F557 HydrophobicContact CD1-CZ 4.16Å; L462-F557 HydrophobicContact CD2-CE2 4.23Å | ||
| 463 | S | 47.6 | Very low | 50.6 | Low | 79 Ų | 79 | 88 Ų | 88 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -62.1 | -12.6 | -176.1 | 63 | 0 | 0 | 0 | 0 | 116.9 | D461 Q556 | D461-S463 PolarHBondContact O-N 3.02Å; S463-Q556 PolarHBondContact OG-NE2 2.94Å |
| 464 | V | 47.2 | Very low | 52.4 | Low | 72 Ų | 72 | 82.8 Ų | 82.8 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -138.9 | 125.5 | -177.2 | -174.5 | 0 | 0 | 0 | 0 | 111 | L462 L466 | L462-V464 PolarHBondContact O-N 3.45Å; V464-L466 PolarHBondContact O-N 3.28Å |
| 465 | P | 51.9 | Low | 54.3 | Low | 121 Ų | 121 | 78.1 Ų | 78.1 | 79% | 0.786 | 46% | 0.459 | S | S | * | . | trans | -71.4 | 119.5 | 176 | 28.4 | -33.6 | 0 | 0 | 0 | 111.3 | N467 | P465-N467 PolarHBondContact O-N 3.21Š| ||
| 466 | L | 54.6 | Low | 56.5 | Low | 50 Ų | 50 | 79.1 Ų | 79.1 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | trans | -72.5 | 110.4 | -176.7 | -170 | 136.6 | 0 | 0 | 0 | 111.4 | V464 A471 I474 L541 C544 F557 | V464-L466 PolarHBondContact O-N 3.28Å; L466-A471 HydrophobicContact CD2-CB 4.25Å; L466-I474 HydrophobicContact CD1-CD1 3.85Å; L466-I474 HydrophobicContact CG-CD1 4.33Å; L466-L541 HydrophobicContact CD2-CD1 3.73Å; L466-L541 HydrophobicContact CD2-CG 3.88Å; L466-C544 HydrophobicContact CD1-CB 4.17Å; L466-F557 HydrophobicContact CD1-CB 4.37Å; L466-F557 HydrophobicContact CD1-CD1 3.51Å; L466-F557 HydrophobicContact CD1-CD2 3.77Å; L466-F557 HydrophobicContact CD1-CE1 3.61Å; L466-F557 HydrophobicContact CD1-CE2 3.87Å; L466-F557 HydrophobicContact CD1-CG 3.6Å; L466-F557 HydrophobicContact CD1-CZ 3.79Å | ||
| 467 | N | 62.4 | Low | 58.4 | Low | 109 Ų | 109 | 82.3 Ų | 82.3 | 58% | 0.583 | 44% | 0.442 | S | S | * | . | trans | -82 | 139.1 | -174.5 | -148.1 | -30.9 | 0 | 0 | 0 | 110.8 | P465 N469 T470 A471 | P465-N467 PolarHBondContact O-N 3.21Å; N467-N469 VanDerWaalsContact C-N 3.31Å; N467-N469 PolarHBondContact O-N 3.1Å; N467-T470 WeakPolarHBondContact CB-OG1 3Å; N467-T470 PolarHBondContact N-OG1 2.84Å; N467-T470 PolarHBondContact O-N 2.92Å; N467-T470 PolarHBondContact O-OG1 2.73Å; N467-A471 PolarHBondContact O-N 3.29Å | ||
| 468 | L | 62.9 | Low | 60.7 | Low | 20 Ų | 20 | 77.3 Ų | 77.3 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.6 | -40.6 | -168.7 | -137.4 | 86.7 | 0 | 0 | 0 | 112.6 | L447 T470 A471 L537 L541 | L447-L468 HydrophobicContact CB-CD2 4.36Å; L447-L468 HydrophobicContact CD1-CD2 3.85Å; L447-L468 HydrophobicContact CD2-CD1 4.49Å; L447-L468 HydrophobicContact CD2-CD2 4.09Å; L447-L468 HydrophobicContact CG-CD2 4.33Å; L468-T470 VanDerWaalsContact C-N 3.29Å; L468-T470 PolarHBondContact O-N 2.89Å; L468-A471 PolarHBondContact O-N 2.93Å; L468-L537 HydrophobicContact CD2-CB 3.89Å; L468-L537 HydrophobicContact CD2-CD1 4.02Å; L468-L537 HydrophobicContact CG-CB 4.2Å; L468-L541 HydrophobicContact CD1-CD1 3.62Å |
| 469 | N | 61.6 | Low | 62.7 | Low | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.3 | -19 | 178.1 | -73.7 | -65.8 | 0 | 0 | 0 | 113.8 | N467 R533 | N467-N469 VanDerWaalsContact C-N 3.31Å; N467-N469 PolarHBondContact O-N 3.1Å; N469-R533 PolarHBondContact OD1-NH2 3.31Å |
| 470 | T | 71.1 | Confident | 64.2 | Low | 56 Ų | 56 | 68.5 Ų | 68.5 | 34% | 0.344 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -85.4 | -19.8 | 177.5 | 36.9 | 0 | 0 | 0 | 0 | 113.8 | N467 L468 T472 E473 I474 | N467-T470 WeakPolarHBondContact CB-OG1 3Å; N467-T470 PolarHBondContact N-OG1 2.84Å; N467-T470 PolarHBondContact O-N 2.92Å; N467-T470 PolarHBondContact O-OG1 2.73Å; L468-T470 VanDerWaalsContact C-N 3.29Å; L468-T470 PolarHBondContact O-N 2.89Å; T470-T472 VanDerWaalsContact C-N 3.31Å; T470-T472 PolarHBondContact O-N 2.86Å; T470-E473 PolarHBondContact O-N 3.42Å; T470-I474 WeakPolarHBondContact O-CG1 3.33Å; T470-I474 PolarHBondContact O-N 2.96Å |
| 471 | A | 76.1 | Confident | 65.7 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.2 | -46.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L466 N467 L468 E473 I474 V475 A540 L541 | L466-A471 HydrophobicContact CD2-CB 4.25Å; N467-A471 PolarHBondContact O-N 3.29Å; L468-A471 PolarHBondContact O-N 2.93Å; A471-E473 VanDerWaalsContact C-N 3.34Å; A471-E473 PolarHBondContact O-N 2.99Å; A471-I474 WeakPolarHBondContact O-CB 3.32Å; A471-I474 PolarHBondContact O-N 2.86Å; A471-V475 WeakPolarHBondContact O-CG2 3.5Å; A471-V475 PolarHBondContact O-N 2.86Å; A471-A540 HydrophobicContact CB-CB 4.07Å; A471-L541 HydrophobicContact CB-CB 4.3Å |
| 472 | T | 74.9 | Confident | 67 | Low | 35 Ų | 35 | 58.6 Ų | 58.6 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.5 | -28.7 | 178.9 | -26.3 | 0 | 0 | 0 | 0 | 113.4 | T470 N476 L537 | T470-T472 VanDerWaalsContact C-N 3.31Å; T470-T472 PolarHBondContact O-N 2.86Å; T472-N476 WeakPolarHBondContact O-CB 3.47Å; T472-N476 PolarHBondContact O-N 3.31Å; T472-N476 PolarHBondContact O-ND2 3.1Å; T472-L537 WeakPolarHBondContact OG1-CD2 2.89Å |
| 473 | E | 71 | Confident | 67.9 | Low | 77 Ų | 77 | 57 Ų | 57 | 36% | 0.36 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.1 | -29.3 | 174 | -163 | 170.9 | -145.3 | 0 | 0 | 111.3 | R368 T470 A471 R477 | R368-E473 IonicContact CZ-OE1 2.66Å; R368-E473 IonicContact NH1-OE1 3.84Å; R368-E473 PolarHBondContact NH1-OE1 3.28Å; R368-E473 IonicContact NH2-OE1 2.59Å; R368-E473 PolarHBondContact NH2-OE1 3.46Å; T470-E473 PolarHBondContact O-N 3.42Å; A471-E473 VanDerWaalsContact C-N 3.34Å; A471-E473 PolarHBondContact O-N 2.99Å; E473-R477 VanDerWaalsContact O-CB 3.29Å; E473-R477 WeakPolarHBondContact O-CB 3.41Å; E473-R477 VanDerWaalsContact O-CG 3.32Å; E473-R477 WeakPolarHBondContact O-CG 3.16Å; E473-R477 PolarHBondContact O-N 3.36Å |
| 474 | I | 77.2 | Confident | 68.6 | Low | 22 Ų | 22 | 54.9 Ų | 54.9 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -51.3 | 171.6 | -66.8 | 160.3 | 0 | 0 | 0 | 110.7 | L466 T470 A471 N476 R477 Y478 F557 | L466-I474 HydrophobicContact CD1-CD1 3.85Å; L466-I474 HydrophobicContact CG-CD1 4.33Å; T470-I474 WeakPolarHBondContact O-CG1 3.33Å; T470-I474 PolarHBondContact O-N 2.96Å; A471-I474 WeakPolarHBondContact O-CB 3.32Å; A471-I474 PolarHBondContact O-N 2.86Å; I474-N476 VanDerWaalsContact C-N 3.32Å; I474-N476 PolarHBondContact O-N 2.93Å; I474-R477 WeakPolarHBondContact O-CB 3.13Å; I474-R477 PolarHBondContact O-N 3.03Å; I474-R477 VanDerWaalsContact O-N 3.15Å; I474-Y478 PolarHBondContact O-N 3.5Å; I474-F557 HydrophobicContact CD1-CB 3.92Å; I474-F557 HydrophobicContact CG1-CB 4.45Å; I474-F557 HydrophobicContact CG2-CB 4.27Å |
| 475 | V | 80.9 | Confident | 69.2 | Low | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | A471 Y478 C479 P492 L514 V543 | A471-V475 WeakPolarHBondContact O-CG2 3.5Å; A471-V475 PolarHBondContact O-N 2.86Å; V475-Y478 WeakPolarHBondContact O-CB 3.35Å; V475-Y478 PolarHBondContact O-N 3.35Å; V475-C479 PolarHBondContact O-N 2.67Å; V475-C479 PolarHBondContact O-SG 3.5Å; V475-P492 HydrophobicContact CG1-CB 4.22Å; V475-P492 HydrophobicContact CG1-CG 4.14Å; V475-L514 HydrophobicContact CG1-CD2 3.98Å; V475-V543 HydrophobicContact CG1-CG1 4.04Å; V475-V543 HydrophobicContact CG2-CB 4.05Å; V475-V543 HydrophobicContact CG2-CG1 3.69Å |
| 476 | N | 77 | Confident | 69.4 | Low | 66 Ų | 66 | 54.7 Ų | 54.7 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 175.1 | -77.1 | -50.4 | 0 | 0 | 0 | 112.9 | T472 I474 Y478 C479 V480 P492 | T472-N476 WeakPolarHBondContact O-CB 3.47Å; T472-N476 PolarHBondContact O-N 3.31Å; T472-N476 PolarHBondContact O-ND2 3.1Å; I474-N476 VanDerWaalsContact C-N 3.32Å; I474-N476 PolarHBondContact O-N 2.93Å; N476-Y478 VanDerWaalsContact C-N 3.29Å; N476-Y478 PolarHBondContact O-N 3.26Å; N476-C479 PolarHBondContact O-N 2.94Å; N476-V480 WeakPolarHBondContact O-CB 3.37Å; N476-V480 VanDerWaalsContact O-CG2 3.32Å; N476-V480 WeakPolarHBondContact O-CG2 3.35Å; N476-V480 PolarHBondContact O-N 3.23Å; N476-P492 WeakPolarHBondContact OD1-CD 3.33Å; N476-P492 WeakPolarHBondContact OD1-CG 3.49Å |
| 477 | R | 74.1 | Confident | 69.3 | Low | 143 Ų | 143 | 54.3 Ų | 54.3 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -36.5 | 171.6 | -86.9 | 179.2 | 166.1 | -164.5 | -3.1 | 112.3 | E473 I474 R481 P559 | E473-R477 VanDerWaalsContact O-CB 3.29Å; E473-R477 WeakPolarHBondContact O-CB 3.41Å; E473-R477 VanDerWaalsContact O-CG 3.32Å; E473-R477 WeakPolarHBondContact O-CG 3.16Å; E473-R477 PolarHBondContact O-N 3.36Å; I474-R477 WeakPolarHBondContact O-CB 3.13Å; I474-R477 PolarHBondContact O-N 3.03Å; I474-R477 VanDerWaalsContact O-N 3.15Å; R477-R481 PolarHBondContact O-N 2.83Å; R477-R481 VanDerWaalsContact O-N 3.14Å; R477-P559 HydrophobicContact CB-CG 4.18Å |
| 478 | Y | 80.7 | Confident | 69.2 | Low | 5 Ų | 5 | 49.9 Ų | 49.9 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -52.4 | 175.6 | 167.8 | -107.1 | 0 | 0 | 0 | 110.9 | I474 V475 N476 V480 R481 L482 L514 S518 L547 E552 P559 | I474-Y478 PolarHBondContact O-N 3.5Å; V475-Y478 WeakPolarHBondContact O-CB 3.35Å; V475-Y478 PolarHBondContact O-N 3.35Å; N476-Y478 VanDerWaalsContact C-N 3.29Å; N476-Y478 PolarHBondContact O-N 3.26Å; Y478-V480 PolarHBondContact O-N 2.81Å; Y478-R481 CarbonylContact O-C 3.54Å; Y478-R481 WeakPolarHBondContact O-CA 3.24Å; Y478-R481 PolarHBondContact O-N 3.11Å; Y478-L482 HydrophobicContact CE1-CD1 4.18Å; Y478-L482 HydrophobicContact CE1-CD2 4.24Å; Y478-L482 HydrophobicContact CE1-CG 4.26Å; Y478-L482 HydrophobicContact CE2-CD2 3.98Å; Y478-L482 HydrophobicContact CE2-CG 4.4Å; Y478-L482 PolarHBondContact O-N 3.31Å; Y478-L514 HydrophobicContact CE1-CD1 4.36Å; Y478-S518 PolarHBondContact OH-OG 2.86Å; Y478-L547 HydrophobicContact CD1-CD1 3.8Å; Y478-L547 HydrophobicContact CD1-CD2 3.89Å; Y478-L547 HydrophobicContact CD2-CD2 4.28Å; Y478-L547 HydrophobicContact CE1-CD1 4.2Å; Y478-L547 HydrophobicContact CE1-CD2 3.45Å; Y478-L547 VanDerWaalsContact CE1-CD2 3.45Å; Y478-L547 HydrophobicContact CE1-CG 4.49Å; Y478-L547 HydrophobicContact CE2-CD2 3.89Å; Y478-L547 HydrophobicContact CG-CD1 4.04Å; Y478-L547 HydrophobicContact CG-CD2 4.27Å; Y478-L547 VanDerWaalsContact CZ-CD2 3.43Å; Y478-E552 HydrophobicContact CD2-CB 4.49Å; Y478-E552 HydrophobicContact CE2-CB 3.81Å; Y478-E552 HydrophobicContact CE2-CG 4.27Å; Y478-E552 WeakPolarHBondContact CE2-OE2 3.44Å; Y478-E552 VanDerWaalsContact CZ-OE2 3.25Å; Y478-E552 PolarHBondContact OH-OE2 2.64Å; Y478-P559 HydrophobicContact CD2-CB 3.92Å; Y478-P559 HydrophobicContact CG-CB 4.5Å |
| 479 | C | 77.3 | Confident | 69.1 | Low | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -32.2 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 113 | V475 N476 L490 P515 | V475-C479 PolarHBondContact O-N 2.67Å; V475-C479 PolarHBondContact O-SG 3.5Å; N476-C479 PolarHBondContact O-N 2.94Å; C479-L490 WeakPolarHBondContact CB-O 3.47Å; C479-L490 WeakPolarHBondContact O-CB 3.47Å; C479-P515 HydrophobicContact CB-CG 4.08Å; C479-P515 VanDerWaalsContact SG-CD 3.57Å |
| 480 | V | 70.3 | Confident | 69.3 | Low | 108 Ų | 108 | 52 Ų | 52 | 66% | 0.655 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -78.2 | -13.9 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 113.7 | N476 Y478 | N476-V480 WeakPolarHBondContact O-CB 3.37Å; N476-V480 VanDerWaalsContact O-CG2 3.32Å; N476-V480 WeakPolarHBondContact O-CG2 3.35Å; N476-V480 PolarHBondContact O-N 3.23Å; Y478-V480 PolarHBondContact O-N 2.81Å |
| 481 | R | 72.9 | Confident | 69.1 | Low | 101 Ų | 101 | 53.5 Ų | 53.5 | 38% | 0.381 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -99.6 | -11.2 | 172.2 | -80.8 | -153.1 | -174.4 | 141.2 | -0.9 | 114.4 | R477 Y478 P559 | R477-R481 PolarHBondContact O-N 2.83Å; R477-R481 VanDerWaalsContact O-N 3.14Å; Y478-R481 CarbonylContact O-C 3.54Å; Y478-R481 WeakPolarHBondContact O-CA 3.24Å; Y478-R481 PolarHBondContact O-N 3.11Å; R481-P559 HydrophobicContact CB-CB 4.25Å; R481-P559 HydrophobicContact CB-CG 4.29Å; R481-P559 VanDerWaalsContact CD-O 3.31Å; R481-P559 WeakPolarHBondContact CD-O 3.25Å; R481-P559 HydrophobicContact CG-CG 4.19Å; R481-P559 PolarHBondContact NH1-O 3.21Å |
| 482 | L | 70.6 | Confident | 69 | Low | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -55.1 | 149 | 169.3 | -77.1 | 175.2 | 0 | 0 | 0 | 110.4 | Y478 S484 L490 P515 | Y478-L482 HydrophobicContact CE1-CD1 4.18Å; Y478-L482 HydrophobicContact CE1-CD2 4.24Å; Y478-L482 HydrophobicContact CE1-CG 4.26Å; Y478-L482 HydrophobicContact CE2-CD2 3.98Å; Y478-L482 HydrophobicContact CE2-CG 4.4Å; Y478-L482 PolarHBondContact O-N 3.31Å; L482-S484 PolarHBondContact O-N 3.29Å; L482-L490 HydrophobicContact CB-CD1 3.56Å; L482-L490 HydrophobicContact CD1-CD1 4.17Å; L482-P515 HydrophobicContact CD1-CB 4.2Å; L482-P515 HydrophobicContact CD1-CG 4.1Å |
| 483 | P | 63.4 | Low | 69 | Low | 22 Ų | 22 | 57.1 Ų | 57.1 | 14% | 0.143 | 28% | 0.278 | C | S | . | . | trans | -62.9 | 125.8 | 174.2 | -16.8 | 30.9 | 0 | 0 | 0 | 109.8 | H1283 | P483-H1283 HydrophobicContact CG-CB 4.37Š| ||
| 484 | S | 62.2 | Low | 69.3 | Low | 34 Ų | 34 | 56.6 Ų | 56.6 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | trans | -133.7 | 161.5 | 173.4 | 79 | 0 | 0 | 0 | 0 | 109.2 | L482 T488 R562 | L482-S484 PolarHBondContact O-N 3.29Å; S484-T488 WeakPolarHBondContact CB-OG1 3.46Å; S484-R562 PolarHBondContact O-NH1 3.44Å; S484-R562 PolarHBondContact O-NH2 3.35Å | ||
| 485 | D | 60.8 | Low | 69.2 | Low | 41 Ų | 41 | 57.9 Ų | 57.9 | 22% | 0.219 | 28% | 0.284 | C | S | . | . | trans | -78.7 | -171.3 | 165.7 | 85.2 | -46.8 | 0 | 0 | 0 | 110.4 | F487 T488 | D485-F487 VanDerWaalsContact C-N 3.31Å; D485-F487 VanDerWaalsContact CG-N 3.34Å; D485-F487 PolarHBondContact OD1-N 3.21Å; D485-F487 VanDerWaalsContact OD2-CB 3.24Å; D485-F487 WeakPolarHBondContact OD2-CB 3.5Å; D485-F487 WeakPolarHBondContact OD2-CD2 3.24Å; D485-F487 WeakPolarHBondContact OD2-CG 3.47Å; D485-F487 PolarHBondContact OD2-N 3.06Å; D485-T488 PolarHBondContact N-OG1 3.38Å; D485-T488 VanDerWaalsContact OD1-CB 3.24Å; D485-T488 WeakPolarHBondContact OD1-CB 3.45Å; D485-T488 WeakPolarHBondContact OD1-CG2 3.45Å; D485-T488 PolarHBondContact OD1-N 3.48Å; D485-T488 PolarHBondContact OD1-OG1 3.1Å | ||
| 486 | M | 55.7 | Low | 69.2 | Low | 147 Ų | 147 | 60.2 Ų | 60.2 | 72% | 0.724 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -78.6 | -13.2 | 178.9 | 75.5 | 173.8 | 79.9 | 0 | 0 | 114 | ||
| 487 | F | 53.1 | Low | 69.3 | Low | 43 Ų | 43 | 61.3 Ų | 61.3 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -102.9 | -26.3 | -174.7 | -55.3 | -57.9 | 0 | 0 | 0 | 113.3 | D485 N1558 T1560 L1561 K1564 | D485-F487 VanDerWaalsContact C-N 3.31Å; D485-F487 VanDerWaalsContact CG-N 3.34Å; D485-F487 PolarHBondContact OD1-N 3.21Å; D485-F487 VanDerWaalsContact OD2-CB 3.24Å; D485-F487 WeakPolarHBondContact OD2-CB 3.5Å; D485-F487 WeakPolarHBondContact OD2-CD2 3.24Å; D485-F487 WeakPolarHBondContact OD2-CG 3.47Å; D485-F487 PolarHBondContact OD2-N 3.06Å; F487-N1558 PolarHBondContact O-ND2 3.33Å; F487-T1560 HydrophobicContact CD1-CG2 3.97Å; F487-T1560 HydrophobicContact CE1-CG2 3.66Å; F487-L1561 HydrophobicContact CD2-CB 4.16Å; F487-L1561 HydrophobicContact CD2-CD1 4.32Å; F487-L1561 HydrophobicContact CE2-CD1 4.25Å; F487-L1561 HydrophobicContact CG-CB 4.42Å; F487-K1564 HydrophobicContact CZ-CD 4.07Å |
| 488 | T | 60.1 | Low | 69.7 | Low | 16 Ų | 16 | 57.7 Ų | 57.7 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | trans | -87.9 | 146.8 | -178.3 | 49.6 | 0 | 0 | 0 | 0 | 114.7 | S484 D485 T1486 | S484-T488 WeakPolarHBondContact CB-OG1 3.46Å; D485-T488 PolarHBondContact N-OG1 3.38Å; D485-T488 VanDerWaalsContact OD1-CB 3.24Å; D485-T488 WeakPolarHBondContact OD1-CB 3.45Å; D485-T488 WeakPolarHBondContact OD1-CG2 3.45Å; D485-T488 PolarHBondContact OD1-N 3.48Å; D485-T488 PolarHBondContact OD1-OG1 3.1Å; T488-T1486 WeakPolarHBondContact CG2-OG1 3.47Å | ||
| 489 | R | 59.2 | Low | 69.8 | Low | 143 Ų | 143 | 60.9 Ų | 60.9 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | trans | -129.2 | 102.6 | 171.9 | -165.5 | -178 | -157.8 | 167.4 | 14.6 | 109 | E365 | E365-R489 IonicContact OE1-CZ 3.25Å; E365-R489 IonicContact OE1-NH1 2.73Å; E365-R489 PolarHBondContact OE1-NH1 2.85Å; E365-R489 IonicContact OE1-NH2 3.02Å; E365-R489 PolarHBondContact OE1-NH2 3.37Å; E365-R489 IonicContact OE2-CZ 3.66Å; E365-R489 IonicContact OE2-NH1 3.25Å; E365-R489 PolarHBondContact OE2-NH1 2.91Å; E365-R489 IonicContact OE2-NH2 2.66Å; E365-R489 PolarHBondContact OE2-NH2 2.95Å | ||
| 490 | L | 67.3 | Low | 69.8 | Low | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | trans | -76.1 | 125.5 | -175.7 | -58.1 | 173.3 | 0 | 0 | 0 | 110.1 | C479 L482 P515 N517 | C479-L490 WeakPolarHBondContact CB-O 3.47Å; C479-L490 WeakPolarHBondContact O-CB 3.47Å; L482-L490 HydrophobicContact CB-CD1 3.56Å; L482-L490 HydrophobicContact CD1-CD1 4.17Å; L490-P515 HydrophobicContact CB-CB 3.86Å; L490-P515 HydrophobicContact CB-CG 3.82Å; L490-P515 HydrophobicContact CD2-CB 3.92Å; L490-P515 HydrophobicContact CG-CB 4.32Å; L490-N517 HydrophobicContact CD1-CB 4.07Å | ||
| 491 | V | 66.4 | Low | 70.2 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | trans | -137.3 | 136.2 | -175.4 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 492 | P | 74.7 | Confident | 70.2 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | trans | -71.1 | 139.7 | 177 | 31 | -35.5 | 0 | 0 | 0 | 111.1 | V475 N476 I512 L514 | V475-P492 HydrophobicContact CG1-CB 4.22Å; V475-P492 HydrophobicContact CG1-CG 4.14Å; N476-P492 WeakPolarHBondContact OD1-CD 3.33Å; N476-P492 WeakPolarHBondContact OD1-CG 3.49Å; P492-I512 HydrophobicContact CB-CG2 4.16Å; P492-L514 HydrophobicContact CB-CD2 4.29Å | ||
| 493 | E | 73.1 | Confident | 70.5 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132.7 | 174.6 | -170.5 | -178.3 | 151.4 | 0 | 0 | 109.7 | I512 L513 R1492 | E493-I512 VanDerWaalsContact O-CA 3.3Å; E493-I512 WeakPolarHBondContact O-CA 3.41Å; E493-L513 HydrophobicContact CB-CB 4.42Å; E493-L513 PolarHBondContact N-O 3.09Å; E493-L513 PolarHBondContact O-N 3.2Å; E493-R1492 IonicContact OE2-CZ 3.59Å; E493-R1492 IonicContact OE2-NE 3.71Å; E493-R1492 IonicContact OE2-NH2 3.77Å; E493-R1492 PolarHBondContact OE2-NH2 2.85Å |
| 494 | F | 77.6 | Confident | 70.9 | Confident | 65 Ų | 65 | 75.5 Ų | 75.5 | 29% | 0.285 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.4 | -180 | 174.2 | -115.9 | 0 | 0 | 0 | 110.2 | L496 H511 I512 Q536 V539 | F494-L496 HydrophobicContact CE1-CB 4.33Å; F494-L496 HydrophobicContact CE1-CD1 3.89Å; F494-L496 HydrophobicContact CZ-CB 4.21Å; F494-L496 HydrophobicContact CZ-CD1 3.81Å; F494-L496 HydrophobicContact CZ-CG 4.17Å; F494-H511 WeakPolarHBondContact CA-O 3.35Å; F494-H511 WeakPolarHBondContact CD2-O 3.28Å; F494-I512 HydrophobicContact CB-CG1 4.48Å; F494-I512 HydrophobicContact CD2-CG1 3.9Å; F494-Q536 HydrophobicContact CD1-CG 4.08Å; F494-Q536 HydrophobicContact CD2-CG 4.25Å; F494-Q536 HydrophobicContact CE1-CB 3.85Å; F494-Q536 HydrophobicContact CE1-CG 3.72Å; F494-Q536 HydrophobicContact CE2-CB 4Å; F494-Q536 HydrophobicContact CE2-CG 3.92Å; F494-Q536 HydrophobicContact CG-CG 4.33Å; F494-Q536 HydrophobicContact CZ-CB 3.46Å; F494-Q536 VanDerWaalsContact CZ-CB 3.46Å; F494-Q536 HydrophobicContact CZ-CG 3.65Å; F494-V539 HydrophobicContact CD2-CG1 4.11Å; F494-V539 HydrophobicContact CE2-CG1 3.74Å |
| 495 | T | 76.6 | Confident | 71.5 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 30% | 0.301 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.5 | 175 | 51.4 | 0 | 0 | 0 | 0 | 110 | H511 R523 | T495-H511 PolarHBondContact N-O 2.73Å; T495-H511 PolarHBondContact O-N 2.96Å; T495-R523 PolarHBondContact OG1-NH2 3.49Å |
| 496 | L | 79.4 | Confident | 72.3 | Confident | 53 Ų | 53 | 79.1 Ų | 79.1 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 107.4 | -166.2 | -164.5 | 168.3 | 0 | 0 | 0 | 110.9 | F494 Y508 V509 R532 | F494-L496 HydrophobicContact CE1-CB 4.33Å; F494-L496 HydrophobicContact CE1-CD1 3.89Å; F494-L496 HydrophobicContact CZ-CB 4.21Å; F494-L496 HydrophobicContact CZ-CD1 3.81Å; F494-L496 HydrophobicContact CZ-CG 4.17Å; L496-Y508 HydrophobicContact CD2-CD1 3.55Å; L496-Y508 HydrophobicContact CD2-CG 4.09Å; L496-V509 CarbonylContact C-O 3.58Å; L496-V509 WeakPolarHBondContact CA-O 3.34Å; L496-R532 HydrophobicContact CD1-CB 3.74Å; L496-R532 HydrophobicContact CD1-CG 3.77Å; L496-R532 HydrophobicContact CD2-CG 4.2Å |
| 497 | E | 80.8 | Confident | 73.6 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 41% | 0.411 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 139.8 | 175.5 | -81.7 | 172.5 | -164.3 | 0 | 0 | 110.9 | Y508 V509 H511 R523 | E497-Y508 WeakPolarHBondContact O-CA 3.24Å; E497-V509 HydrophobicContact CB-CB 4.39Å; E497-V509 PolarHBondContact N-O 2.9Å; E497-V509 PolarHBondContact O-N 3.04Å; E497-H511 IonicContact OE1-NE2 2.64Å; E497-H511 IonicContact OE2-NE2 3.11Å; E497-H511 PolarHBondContact OE2-NE2 2.75Å; E497-R523 IonicContact OE1-NH1 2.71Å; E497-R523 PolarHBondContact OE1-NH1 3.47Å; E497-R523 IonicContact OE1-NH2 2.68Å |
| 498 | T | 82.7 | Confident | 75.1 | Confident | 67 Ų | 67 | 73 Ų | 73 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.5 | 174.3 | -55 | 0 | 0 | 0 | 0 | 108.6 | K506 Y508 | T498-K506 HydrophobicContact CG2-CB 4.35Å; T498-K506 HydrophobicContact CG2-CD 4.22Å; T498-Y508 HydrophobicContact CG2-CD1 4.04Å; T498-Y508 HydrophobicContact CG2-CE1 3.64Å; T498-Y508 WeakPolarHBondContact OG1-CE1 3.48Å |
| 499 | I | 81 | Confident | 76.4 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.5 | -179.3 | -57.6 | 178 | 0 | 0 | 0 | 107.7 | S507 V509 | I499-S507 PolarHBondContact N-O 3Å; I499-S507 PolarHBondContact O-N 3.4Å; I499-V509 HydrophobicContact CD1-CB 4.49Å; I499-V509 HydrophobicContact CD1-CG2 3.57Å; I499-V509 HydrophobicContact CG1-CG2 4.46Å |
| 500 | E | 78 | Confident | 77.6 | Confident | 118 Ų | 118 | 65.9 Ų | 65.9 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.1 | 169.8 | -65 | -172.9 | 156.7 | 0 | 0 | 108.8 | K506 | E500-K506 HydrophobicContact CG-CG 4.38Å; E500-K506 WeakPolarHBondContact OE1-CE 3.06Å; E500-K506 IonicContact OE1-NZ 3.86Å; E500-K506 PolarHBondContact OE1-NZ 3.25Å |
| 501 | N | 78 | Confident | 78.5 | Confident | 49 Ų | 49 | 66 Ų | 66 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | trans | -77.1 | 162.8 | 178.3 | -55.6 | -35.2 | 0 | 0 | 0 | 110.2 | D503 M504 S505 S507 | N501-D503 WeakPolarHBondContact CB-OD1 3.49Å; N501-D503 PolarHBondContact O-N 3.39Å; N501-M504 PolarHBondContact O-N 3.37Å; N501-S505 WeakPolarHBondContact CB-O 3.36Å; N501-S505 PolarHBondContact N-O 3.04Å; N501-S505 PolarHBondContact ND2-O 3.16Å; N501-S505 PolarHBondContact ND2-OG 3.4Å; N501-S507 VanDerWaalsContact CG-OG 3.23Å; N501-S507 PolarHBondContact ND2-OG 3.4Å; N501-S507 PolarHBondContact OD1-OG 2.89Å | ||
| 502 | A | 74.1 | Confident | 79.4 | Confident | 117 Ų | 117 | 62.3 Ų | 62.3 | 97% | 0.967 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | M504 | A502-M504 VanDerWaalsContact C-N 3.35Š|
| 503 | D | 75.7 | Confident | 79.7 | Confident | 115 Ų | 115 | 62 Ų | 62 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 15.3 | 174.9 | 57.7 | -66.4 | 0 | 0 | 0 | 113.9 | N501 S505 | N501-D503 WeakPolarHBondContact CB-OD1 3.49Å; N501-D503 PolarHBondContact O-N 3.39Å; D503-S505 PolarHBondContact O-N 3.32Å; D503-S505 VanDerWaalsContact O-N 3.09Å; D503-S505 WeakPolarHBondContact OD2-CB 3.49Å; D503-S505 PolarHBondContact OD2-OG 2.91Å |
| 504 | M | 72.2 | Confident | 80.2 | Confident | 152 Ų | 152 | 58.2 Ų | 58.2 | 75% | 0.749 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 62.9 | 4 | -177.4 | -62.3 | -71.8 | -65.3 | 0 | 0 | 115.4 | N501 A502 | N501-M504 PolarHBondContact O-N 3.37Å; A502-M504 VanDerWaalsContact C-N 3.35Å |
| 505 | S | 75 | Confident | 80.1 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | trans | -75.2 | 153.1 | 170.7 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | N501 D503 | N501-S505 WeakPolarHBondContact CB-O 3.36Å; N501-S505 PolarHBondContact N-O 3.04Å; N501-S505 PolarHBondContact ND2-O 3.16Å; N501-S505 PolarHBondContact ND2-OG 3.4Å; D503-S505 PolarHBondContact O-N 3.32Å; D503-S505 VanDerWaalsContact O-N 3.09Å; D503-S505 WeakPolarHBondContact OD2-CB 3.49Å; D503-S505 PolarHBondContact OD2-OG 2.91Å | ||
| 506 | K | 76.9 | Confident | 79.9 | Confident | 103 Ų | 103 | 54.4 Ų | 54.4 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.9 | -177.3 | -58.9 | -158.9 | 175.2 | -150.1 | 0 | 111.1 | T498 E500 | T498-K506 HydrophobicContact CG2-CB 4.35Å; T498-K506 HydrophobicContact CG2-CD 4.22Å; E500-K506 HydrophobicContact CG-CG 4.38Å; E500-K506 WeakPolarHBondContact OE1-CE 3.06Å; E500-K506 IonicContact OE1-NZ 3.86Å; E500-K506 PolarHBondContact OE1-NZ 3.25Å |
| 507 | S | 83.5 | Confident | 79.6 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 153.4 | 166.8 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | I499 N501 | I499-S507 PolarHBondContact N-O 3Å; I499-S507 PolarHBondContact O-N 3.4Å; N501-S507 VanDerWaalsContact CG-OG 3.23Å; N501-S507 PolarHBondContact ND2-OG 3.4Å; N501-S507 PolarHBondContact OD1-OG 2.89Å |
| 508 | Y | 84.3 | Confident | 79.6 | Confident | 46 Ų | 46 | 48.3 Ų | 48.3 | 18% | 0.18 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.3 | 174.9 | -62.2 | -68.1 | 0 | 0 | 0 | 109.7 | L496 E497 T498 M529 S531 R532 A535 | L496-Y508 HydrophobicContact CD2-CD1 3.55Å; L496-Y508 HydrophobicContact CD2-CG 4.09Å; E497-Y508 WeakPolarHBondContact O-CA 3.24Å; T498-Y508 HydrophobicContact CG2-CD1 4.04Å; T498-Y508 HydrophobicContact CG2-CE1 3.64Å; T498-Y508 WeakPolarHBondContact OG1-CE1 3.48Å; Y508-M529 PolarHBondContact N-O 3.12Å; Y508-M529 PolarHBondContact O-N 2.97Å; Y508-S531 VanDerWaalsContact CD2-C 3.49Å; Y508-R532 HydrophobicContact CD1-CG 3.74Å; Y508-R532 HydrophobicContact CD2-CG 3.94Å; Y508-R532 HydrophobicContact CE1-CG 3.8Å; Y508-R532 HydrophobicContact CE2-CG 4Å; Y508-R532 HydrophobicContact CG-CG 3.79Å; Y508-A535 WeakPolarHBondContact O-CB 3.28Å |
| 509 | V | 87.9 | Confident | 79.1 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.9 | 172.4 | 171.4 | 0 | 0 | 0 | 0 | 108.2 | L496 E497 I499 T525 P528 | L496-V509 CarbonylContact C-O 3.58Å; L496-V509 WeakPolarHBondContact CA-O 3.34Å; E497-V509 HydrophobicContact CB-CB 4.39Å; E497-V509 PolarHBondContact N-O 2.9Å; E497-V509 PolarHBondContact O-N 3.04Å; I499-V509 HydrophobicContact CD1-CB 4.49Å; I499-V509 HydrophobicContact CD1-CG2 3.57Å; I499-V509 HydrophobicContact CG1-CG2 4.46Å; V509-T525 HydrophobicContact CG1-CG2 3.55Å; V509-P528 HydrophobicContact CG2-CB 3.82Å |
| 510 | G | 83.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G526 V539 | G510-G526 PolarHBondContact O-N 2.97Å; G510-V539 WeakPolarHBondContact O-CB 3.37Å; G510-V539 WeakPolarHBondContact O-CG2 3.37Å |
| 511 | H | 86.6 | Confident | 79 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.4 | 170.6 | -43.5 | -105.3 | 0 | 0 | 0 | 109.7 | F494 T495 E497 R523 I524 T525 | F494-H511 WeakPolarHBondContact CA-O 3.35Å; F494-H511 WeakPolarHBondContact CD2-O 3.28Å; T495-H511 PolarHBondContact N-O 2.73Å; T495-H511 PolarHBondContact O-N 2.96Å; E497-H511 IonicContact OE1-NE2 2.64Å; E497-H511 IonicContact OE2-NE2 3.11Å; E497-H511 PolarHBondContact OE2-NE2 2.75Å; H511-R523 HydrophobicContact CB-CG 4.1Å; H511-R523 PolarHBondContact CD2-NH2 3.25Å; H511-R523 VanDerWaalsContact CG-NH2 3.32Å; H511-R523 PolarHBondContact ND1-NH1 3.14Å; H511-I524 CarbonylContact C-O 3.44Å; H511-I524 VanDerWaalsContact CA-O 3.26Å; H511-I524 WeakPolarHBondContact CA-O 3.38Å; H511-T525 VanDerWaalsContact CE1-CA 3.45Å; H511-T525 WeakPolarHBondContact CE1-CA 3.49Å; H511-T525 WeakPolarHBondContact CE1-CB 3.41Å; H511-T525 WeakPolarHBondContact CE1-CG2 3.41Å; H511-T525 PolarHBondContact CE1-OG1 3.42Å; H511-T525 WeakPolarHBondContact ND1-CG2 3.44Å; H511-T525 PolarHBondContact ND1-OG1 3.47Å; H511-T525 WeakPolarHBondContact NE2-CG2 3.17Å |
| 512 | I | 85.6 | Confident | 79 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.7 | 170.9 | -72.5 | 175.6 | 0 | 0 | 0 | 109.4 | P492 E493 F494 L514 I524 V539 A540 V543 | P492-I512 HydrophobicContact CB-CG2 4.16Å; E493-I512 VanDerWaalsContact O-CA 3.3Å; E493-I512 WeakPolarHBondContact O-CA 3.41Å; F494-I512 HydrophobicContact CB-CG1 4.48Å; F494-I512 HydrophobicContact CD2-CG1 3.9Å; I512-L514 HydrophobicContact CG2-CD2 4.3Å; I512-I524 PolarHBondContact N-O 3.22Å; I512-I524 PolarHBondContact O-N 3.43Å; I512-V539 HydrophobicContact CB-CG2 4.25Å; I512-V539 HydrophobicContact CD1-CG1 3.79Å; I512-V539 HydrophobicContact CD1-CG2 4.44Å; I512-V539 HydrophobicContact CG1-CG1 3.8Å; I512-V539 HydrophobicContact CG1-CG2 4.17Å; I512-A540 HydrophobicContact CD1-CB 4.21Å; I512-V543 HydrophobicContact CB-CG2 3.87Å; I512-V543 HydrophobicContact CD1-CG2 4.04Å; I512-V543 HydrophobicContact CG1-CG2 4.5Å; I512-V543 HydrophobicContact CG2-CG2 3.92Å |
| 513 | L | 81.7 | Confident | 79.3 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.5 | 164.3 | -157.6 | 68.5 | 0 | 0 | 0 | 108.1 | E493 R523 Y1446 R1492 | E493-L513 HydrophobicContact CB-CB 4.42Å; E493-L513 PolarHBondContact N-O 3.09Å; E493-L513 PolarHBondContact O-N 3.2Å; L513-R523 HydrophobicContact CD1-CB 4Å; L513-Y1446 HydrophobicContact CD2-CE2 4.42Å; L513-R1492 HydrophobicContact CD2-CG 4.18Å |
| 514 | L | 82.1 | Confident | 79.9 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | trans | -77.2 | 168.5 | -179.4 | -70.8 | 171.6 | 0 | 0 | 0 | 111.2 | V475 Y478 P492 I512 L520 I524 V543 L547 R1492 | V475-L514 HydrophobicContact CG1-CD2 3.98Å; Y478-L514 HydrophobicContact CE1-CD1 4.36Å; P492-L514 HydrophobicContact CB-CD2 4.29Å; I512-L514 HydrophobicContact CG2-CD2 4.3Å; L514-L520 HydrophobicContact CD1-CB 3.67Å; L514-L520 HydrophobicContact CD1-CD1 4.34Å; L514-I524 HydrophobicContact CD1-CD1 4.5Å; L514-V543 HydrophobicContact CD1-CG1 4.29Å; L514-V543 HydrophobicContact CD2-CG1 4.16Å; L514-L547 HydrophobicContact CD1-CD2 4.47Å; L514-R1492 PolarHBondContact O-NH1 2.6Å | ||
| 515 | P | 75.9 | Confident | 80.7 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | trans | -63.1 | 152.4 | 170.4 | -18.3 | 32 | 0 | 0 | 0 | 111.3 | C479 L482 L490 N517 S518 | C479-P515 HydrophobicContact CB-CG 4.08Å; C479-P515 VanDerWaalsContact SG-CD 3.57Å; L482-P515 HydrophobicContact CD1-CB 4.2Å; L482-P515 HydrophobicContact CD1-CG 4.1Å; L490-P515 HydrophobicContact CB-CB 3.86Å; L490-P515 HydrophobicContact CB-CG 3.82Å; L490-P515 HydrophobicContact CD2-CB 3.92Å; L490-P515 HydrophobicContact CG-CB 4.32Å; P515-N517 PolarHBondContact O-N 3.11Å; P515-S518 WeakPolarHBondContact O-CB 3.37Å; P515-S518 PolarHBondContact O-N 3.07Å | ||
| 516 | I | 73.6 | Confident | 81.2 | Confident | 24 Ų | 24 | 28.4 Ų | 28.4 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33 | -173.2 | -117.6 | 168.8 | 0 | 0 | 0 | 113.1 | S518 N1491 T1494 C1496 | I516-S518 PolarHBondContact O-N 2.84Å; I516-S518 VanDerWaalsContact O-N 3.13Å; I516-N1491 VanDerWaalsContact CD1-O 3.26Å; I516-N1491 WeakPolarHBondContact CD1-O 3.42Å; I516-T1494 VanDerWaalsContact CD1-O 3.23Å; I516-T1494 WeakPolarHBondContact CD1-O 3.48Å; I516-C1496 HydrophobicContact CG2-CB 3.7Å |
| 517 | N | 73.3 | Confident | 81.7 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 6% | 0.059 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -3.8 | 176.1 | -58.3 | 74.6 | 0 | 0 | 0 | 114.5 | L490 P515 H1283 T1486 Q1498 | L490-N517 HydrophobicContact CD1-CB 4.07Å; P515-N517 PolarHBondContact O-N 3.11Å; N517-H1283 PolarHBondContact ND2-NE2 3.32Å; N517-T1486 WeakPolarHBondContact ND2-CG2 3.37Å; N517-T1486 WeakPolarHBondContact OD1-CG2 3.37Å; N517-Q1498 PolarHBondContact ND2-OE1 3.39Å; N517-Q1498 VanDerWaalsContact ND2-OE1 3.14Å |
| 518 | S | 78.9 | Confident | 81.7 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -87.7 | 136 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | Y478 P515 I516 L520 | Y478-S518 PolarHBondContact OH-OG 2.86Å; P515-S518 WeakPolarHBondContact O-CB 3.37Å; P515-S518 PolarHBondContact O-N 3.07Å; I516-S518 PolarHBondContact O-N 2.84Å; I516-S518 VanDerWaalsContact O-N 3.13Å; S518-L520 PolarHBondContact O-N 3.17Å; S518-L520 PolarHBondContact OG-N 2.96Å |
| 519 | P | 73.2 | Confident | 81.7 | Confident | 35 Ų | 35 | 28 Ų | 28 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -62.9 | -20.6 | 173.5 | 24.5 | -33.4 | 0 | 0 | 0 | 113.4 | K521 E552 N1281 | P519-K521 PolarHBondContact O-N 2.91Å; P519-K521 VanDerWaalsContact O-N 3.13Å; P519-E552 HydrophobicContact CG-CG 4.18Å; P519-N1281 HydrophobicContact CB-CB 4.24Å |
| 520 | L | 80 | Confident | 81.1 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | trans | -83.1 | 80.3 | 173.1 | -85.3 | 172.5 | 0 | 0 | 0 | 111.3 | L514 S518 E522 I524 K546 L547 | L514-L520 HydrophobicContact CD1-CB 3.67Å; L514-L520 HydrophobicContact CD1-CD1 4.34Å; S518-L520 PolarHBondContact O-N 3.17Å; S518-L520 PolarHBondContact OG-N 2.96Å; L520-E522 HydrophobicContact CD2-CG 4.3Å; L520-I524 HydrophobicContact CD1-CD1 4.4Å; L520-K546 HydrophobicContact CD1-CB 3.83Å; L520-K546 HydrophobicContact CD2-CB 4.4Å; L520-L547 HydrophobicContact CD1-CD2 3.79Å; L520-L547 HydrophobicContact CD1-CG 3.97Å | ||
| 521 | K | 75.6 | Confident | 80.8 | Confident | 48 Ų | 48 | 32.9 Ų | 32.9 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | trans | -82.9 | -8.7 | -178.5 | -64.3 | 175.3 | 176.7 | 171.5 | 0 | 115.2 | P519 I1443 D1495 | P519-K521 PolarHBondContact O-N 2.91Å; P519-K521 VanDerWaalsContact O-N 3.13Å; K521-I1443 HydrophobicContact CB-CG2 4.46Å; K521-I1443 HydrophobicContact CD-CD1 4.12Å; K521-D1495 VanDerWaalsContact NZ-CG 3.31Å; K521-D1495 IonicContact NZ-OD1 3.48Å; K521-D1495 IonicContact NZ-OD2 3.86Å; K521-D1495 PolarHBondContact NZ-OD2 3.39Å | ||
| 522 | E | 78.5 | Confident | 80.3 | Confident | 70 Ų | 70 | 38.4 Ų | 38.4 | 33% | 0.327 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -75.8 | 151.3 | -178.8 | 53.1 | 162.4 | 161.8 | 0 | 0 | 114 | L520 I524 K546 | L520-E522 HydrophobicContact CD2-CG 4.3Å; E522-I524 HydrophobicContact CG-CG1 4.2Å; E522-I524 PolarHBondContact O-N 2.77Å; E522-I524 VanDerWaalsContact O-N 3.09Å; E522-K546 WeakPolarHBondContact OE1-CD 3.31Å; E522-K546 WeakPolarHBondContact OE1-CE 3.47Å; E522-K546 IonicContact OE1-NZ 2.88Å; E522-K546 PolarHBondContact OE1-NZ 2.83Å; E522-K546 IonicContact OE2-NZ 2.71Å; E522-K546 PolarHBondContact OE2-NZ 3.49Å |
| 523 | R | 82 | Confident | 79.7 | Confident | 88 Ų | 88 | 43.4 Ų | 43.4 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | trans | -74.7 | 95.4 | 173 | -170.1 | -176.3 | -171.6 | -141.8 | 1.8 | 110.5 | T495 E497 H511 L513 T525 | T495-R523 PolarHBondContact OG1-NH2 3.49Å; E497-R523 IonicContact OE1-NH1 2.71Å; E497-R523 PolarHBondContact OE1-NH1 3.47Å; E497-R523 IonicContact OE1-NH2 2.68Å; H511-R523 HydrophobicContact CB-CG 4.1Å; H511-R523 PolarHBondContact CD2-NH2 3.25Å; H511-R523 VanDerWaalsContact CG-NH2 3.32Å; H511-R523 PolarHBondContact ND1-NH1 3.14Å; L513-R523 HydrophobicContact CD1-CB 4Å; R523-T525 PolarHBondContact O-N 2.91Å; R523-T525 PolarHBondContact O-OG1 3.23Å | ||
| 524 | I | 87.1 | Confident | 79.5 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 121.9 | -178.4 | -60.3 | 171.4 | 0 | 0 | 0 | 109 | H511 I512 L514 L520 E522 V539 E542 V543 K546 | H511-I524 CarbonylContact C-O 3.44Å; H511-I524 VanDerWaalsContact CA-O 3.26Å; H511-I524 WeakPolarHBondContact CA-O 3.38Å; I512-I524 PolarHBondContact N-O 3.22Å; I512-I524 PolarHBondContact O-N 3.43Å; L514-I524 HydrophobicContact CD1-CD1 4.5Å; L520-I524 HydrophobicContact CD1-CD1 4.4Å; E522-I524 HydrophobicContact CG-CG1 4.2Å; E522-I524 PolarHBondContact O-N 2.77Å; E522-I524 VanDerWaalsContact O-N 3.09Å; I524-V539 HydrophobicContact CG2-CG2 4.25Å; I524-V539 WeakPolarHBondContact O-CG2 3.4Å; I524-E542 HydrophobicContact CG2-CB 4.46Å; I524-E542 HydrophobicContact CG2-CG 3.96Å; I524-V543 HydrophobicContact CB-CG2 3.98Å; I524-V543 HydrophobicContact CD1-CB 4.41Å; I524-V543 HydrophobicContact CD1-CG1 4.41Å; I524-V543 HydrophobicContact CD1-CG2 3.85Å; I524-V543 HydrophobicContact CG2-CG2 3.71Å; I524-K546 HydrophobicContact CD1-CB 4.39Å; I524-K546 HydrophobicContact CD1-CD 3.81Å; I524-K546 HydrophobicContact CG1-CD 3.89Å; I524-K546 HydrophobicContact CG2-CD 4.24Å |
| 525 | T | 88.5 | Confident | 79.5 | Confident | 65 Ų | 65 | 42.9 Ų | 42.9 | 40% | 0.399 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129 | -175.1 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | V509 H511 R523 | V509-T525 HydrophobicContact CG1-CG2 3.55Å; H511-T525 VanDerWaalsContact CE1-CA 3.45Å; H511-T525 WeakPolarHBondContact CE1-CA 3.49Å; H511-T525 WeakPolarHBondContact CE1-CB 3.41Å; H511-T525 WeakPolarHBondContact CE1-CG2 3.41Å; H511-T525 PolarHBondContact CE1-OG1 3.42Å; H511-T525 WeakPolarHBondContact ND1-CG2 3.44Å; H511-T525 PolarHBondContact ND1-OG1 3.47Å; H511-T525 WeakPolarHBondContact NE2-CG2 3.17Å; R523-T525 PolarHBondContact O-N 2.91Å; R523-T525 PolarHBondContact O-OG1 3.23Å |
| 526 | G | 85.8 | Confident | 79.7 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -87.1 | 168.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G510 | G510-G526 PolarHBondContact O-N 2.97Š|
| 527 | P | 86.9 | Confident | 80 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 40% | 0.403 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 155.1 | 173.5 | 29.4 | -35.9 | 0 | 0 | 0 | 111.9 | M529 A538 | P527-M529 HydrophobicContact CG-SD 4.38Å; P527-A538 HydrophobicContact CG-CB 3.95Å |
| 528 | P | 84.3 | Confident | 80.4 | Confident | 81 Ų | 81 | 45.5 Ų | 45.5 | 53% | 0.526 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 130.4 | 173.8 | 27.6 | -33.8 | 0 | 0 | 0 | 111.4 | V509 | V509-P528 HydrophobicContact CG2-CB 3.82Š|
| 529 | M | 83.5 | Confident | 80.9 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -126.3 | 151.1 | -177.4 | -60 | -59.9 | -65.7 | 0 | 0 | 111.9 | L447 Y508 P527 S531 A535 A538 | L447-M529 HydrophobicContact CD1-CE 3.88Å; L447-M529 HydrophobicContact CD2-CE 3.68Å; L447-M529 HydrophobicContact CG-CE 3.85Å; Y508-M529 PolarHBondContact N-O 3.12Å; Y508-M529 PolarHBondContact O-N 2.97Å; P527-M529 HydrophobicContact CG-SD 4.38Å; M529-S531 PolarHBondContact O-N 3.49Å; M529-S531 VanDerWaalsContact O-N 3.15Å; M529-A535 HydrophobicContact CB-CB 4.14Å; M529-A535 HydrophobicContact CG-CB 4.41Å; M529-A538 HydrophobicContact CG-CB 4.08Å; M529-A538 HydrophobicContact SD-CB 4.41Å |
| 530 | H | 76.4 | Confident | 81.5 | Confident | 102 Ų | 102 | 43.8 Ų | 43.8 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -66.6 | -9 | 177.1 | 52.7 | -99.4 | 0 | 0 | 0 | 114.8 | S534 | H530-S534 PolarHBondContact NE2-OG 3.09Š|
| 531 | S | 76.7 | Confident | 81.7 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -139.5 | 144.9 | -176.5 | 149.7 | 0 | 0 | 0 | 0 | 110.7 | E436 Y508 M529 R533 S534 A535 | E436-S531 VanDerWaalsContact OE1-CB 3.25Å; E436-S531 WeakPolarHBondContact OE1-CB 3.32Å; E436-S531 PolarHBondContact OE1-OG 3.02Å; Y508-S531 VanDerWaalsContact CD2-C 3.49Å; M529-S531 PolarHBondContact O-N 3.49Å; M529-S531 VanDerWaalsContact O-N 3.15Å; S531-R533 VanDerWaalsContact C-N 3.3Å; S531-R533 PolarHBondContact O-N 3.05Å; S531-R533 PolarHBondContact OG-N 2.92Å; S531-S534 PolarHBondContact O-N 2.75Å; S531-S534 PolarHBondContact OG-N 2.85Å; S531-A535 WeakPolarHBondContact O-CB 3.47Å; S531-A535 PolarHBondContact O-N 3.08Å |
| 532 | R | 76.2 | Confident | 82.2 | Confident | 135 Ų | 135 | 45.1 Ų | 45.1 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 173.2 | -70.7 | -175.7 | 163.8 | 179.9 | -7.2 | 112.5 | L496 Y508 Q536 | L496-R532 HydrophobicContact CD1-CB 3.74Å; L496-R532 HydrophobicContact CD1-CG 3.77Å; L496-R532 HydrophobicContact CD2-CG 4.2Å; Y508-R532 HydrophobicContact CD1-CG 3.74Å; Y508-R532 HydrophobicContact CD2-CG 3.94Å; Y508-R532 HydrophobicContact CE1-CG 3.8Å; Y508-R532 HydrophobicContact CE2-CG 4Å; Y508-R532 HydrophobicContact CG-CG 3.79Å; R532-Q536 PolarHBondContact O-N 3.2Å; R532-Q536 VanDerWaalsContact O-N 3.07Å |
| 533 | R | 73.9 | Confident | 82.6 | Confident | 115 Ų | 115 | 41.8 Ų | 41.8 | 43% | 0.434 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.1 | -45.1 | 177.1 | -175.1 | 179 | -178.6 | 146.6 | 1.8 | 110.6 | E436 N469 S531 A535 Q536 L537 | E436-R533 WeakPolarHBondContact OE2-CB 3.31Å; E436-R533 VanDerWaalsContact OE2-CD 3.27Å; E436-R533 WeakPolarHBondContact OE2-CD 3.24Å; N469-R533 PolarHBondContact OD1-NH2 3.31Å; S531-R533 VanDerWaalsContact C-N 3.3Å; S531-R533 PolarHBondContact O-N 3.05Å; S531-R533 PolarHBondContact OG-N 2.92Å; R533-A535 VanDerWaalsContact C-N 3.28Å; R533-A535 PolarHBondContact O-N 3.1Å; R533-Q536 PolarHBondContact O-N 3.3Å; R533-L537 HydrophobicContact CG-CD1 4.38Å; R533-L537 WeakPolarHBondContact O-CG 3.36Å; R533-L537 PolarHBondContact O-N 2.79Å |
| 534 | S | 76.4 | Confident | 82.9 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58 | -41.2 | 174.8 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | H530 S531 L537 A538 | H530-S534 PolarHBondContact NE2-OG 3.09Å; S531-S534 PolarHBondContact O-N 2.75Å; S531-S534 PolarHBondContact OG-N 2.85Å; S534-L537 PolarHBondContact O-N 3.47Å; S534-A538 VanDerWaalsContact O-CB 3.25Å; S534-A538 WeakPolarHBondContact O-CB 3.27Å; S534-A538 PolarHBondContact O-N 3.09Å |
| 535 | A | 82.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y508 M529 S531 R533 A538 V539 | Y508-A535 WeakPolarHBondContact O-CB 3.28Å; M529-A535 HydrophobicContact CB-CB 4.14Å; M529-A535 HydrophobicContact CG-CB 4.41Å; S531-A535 WeakPolarHBondContact O-CB 3.47Å; S531-A535 PolarHBondContact O-N 3.08Å; R533-A535 VanDerWaalsContact C-N 3.28Å; R533-A535 PolarHBondContact O-N 3.1Å; A535-A538 PolarHBondContact O-N 3Å; A535-V539 WeakPolarHBondContact O-CG1 3.25Å; A535-V539 PolarHBondContact O-N 3.42Å |
| 536 | Q | 80.6 | Confident | 82.7 | Confident | 73 Ų | 73 | 42.1 Ų | 42.1 | 34% | 0.341 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62 | -45 | 177.3 | -168.9 | 179.7 | 30.6 | 0 | 0 | 112.4 | F494 R532 R533 V539 A540 | F494-Q536 HydrophobicContact CD1-CG 4.08Å; F494-Q536 HydrophobicContact CD2-CG 4.25Å; F494-Q536 HydrophobicContact CE1-CB 3.85Å; F494-Q536 HydrophobicContact CE1-CG 3.72Å; F494-Q536 HydrophobicContact CE2-CB 4Å; F494-Q536 HydrophobicContact CE2-CG 3.92Å; F494-Q536 HydrophobicContact CG-CG 4.33Å; F494-Q536 HydrophobicContact CZ-CB 3.46Å; F494-Q536 VanDerWaalsContact CZ-CB 3.46Å; F494-Q536 HydrophobicContact CZ-CG 3.65Å; R532-Q536 PolarHBondContact O-N 3.2Å; R532-Q536 VanDerWaalsContact O-N 3.07Å; R533-Q536 PolarHBondContact O-N 3.3Å; Q536-V539 WeakPolarHBondContact O-CG1 3.5Å; Q536-A540 WeakPolarHBondContact O-CB 3.22Å; Q536-A540 PolarHBondContact O-N 3.18Å |
| 537 | L | 79.1 | Confident | 82.7 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.8 | -38.1 | 178.5 | -63 | -178.6 | 0 | 0 | 0 | 111.8 | L468 T472 R533 S534 A540 L541 | L468-L537 HydrophobicContact CD2-CB 3.89Å; L468-L537 HydrophobicContact CD2-CD1 4.02Å; L468-L537 HydrophobicContact CG-CB 4.2Å; T472-L537 WeakPolarHBondContact OG1-CD2 2.89Å; R533-L537 HydrophobicContact CG-CD1 4.38Å; R533-L537 WeakPolarHBondContact O-CG 3.36Å; R533-L537 PolarHBondContact O-N 2.79Å; S534-L537 PolarHBondContact O-N 3.47Å; L537-A540 PolarHBondContact O-N 2.87Å; L537-L541 WeakPolarHBondContact O-CB 3.29Å; L537-L541 PolarHBondContact O-N 3.19Å |
| 538 | A | 82.8 | Confident | 82.5 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P527 M529 S534 A535 L541 E542 | P527-A538 HydrophobicContact CG-CB 3.95Å; M529-A538 HydrophobicContact CG-CB 4.08Å; M529-A538 HydrophobicContact SD-CB 4.41Å; S534-A538 VanDerWaalsContact O-CB 3.25Å; S534-A538 WeakPolarHBondContact O-CB 3.27Å; S534-A538 PolarHBondContact O-N 3.09Å; A535-A538 PolarHBondContact O-N 3Å; A538-L541 PolarHBondContact O-N 3.14Å; A538-E542 PolarHBondContact O-N 2.96Å |
| 539 | V | 88.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.8 | -37.3 | 175.5 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | F494 G510 I512 I524 A535 Q536 L541 E542 V543 | F494-V539 HydrophobicContact CD2-CG1 4.11Å; F494-V539 HydrophobicContact CE2-CG1 3.74Å; G510-V539 WeakPolarHBondContact O-CB 3.37Å; G510-V539 WeakPolarHBondContact O-CG2 3.37Å; I512-V539 HydrophobicContact CB-CG2 4.25Å; I512-V539 HydrophobicContact CD1-CG1 3.79Å; I512-V539 HydrophobicContact CD1-CG2 4.44Å; I512-V539 HydrophobicContact CG1-CG1 3.8Å; I512-V539 HydrophobicContact CG1-CG2 4.17Å; I524-V539 HydrophobicContact CG2-CG2 4.25Å; I524-V539 WeakPolarHBondContact O-CG2 3.4Å; A535-V539 WeakPolarHBondContact O-CG1 3.25Å; A535-V539 PolarHBondContact O-N 3.42Å; Q536-V539 WeakPolarHBondContact O-CG1 3.5Å; V539-L541 VanDerWaalsContact C-N 3.27Å; V539-L541 PolarHBondContact O-N 2.97Å; V539-E542 PolarHBondContact O-N 3.44Å; V539-V543 WeakPolarHBondContact O-CG2 3.4Å; V539-V543 PolarHBondContact O-N 3.01Å |
| 540 | A | 85.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -34 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A471 I512 Q536 L537 V543 C544 | A471-A540 HydrophobicContact CB-CB 4.07Å; I512-A540 HydrophobicContact CD1-CB 4.21Å; Q536-A540 WeakPolarHBondContact O-CB 3.22Å; Q536-A540 PolarHBondContact O-N 3.18Å; L537-A540 PolarHBondContact O-N 2.87Å; A540-V543 PolarHBondContact O-N 3.01Å; A540-C544 PolarHBondContact O-N 3.41Å; A540-C544 PolarHBondContact O-SG 3.36Å |
| 541 | L | 83.9 | Confident | 82.1 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.2 | -39.9 | 174.7 | -170.1 | 146.9 | 0 | 0 | 0 | 111.9 | L466 L468 A471 L537 A538 V539 V543 C544 R545 | L466-L541 HydrophobicContact CD2-CD1 3.73Å; L466-L541 HydrophobicContact CD2-CG 3.88Å; L468-L541 HydrophobicContact CD1-CD1 3.62Å; A471-L541 HydrophobicContact CB-CB 4.3Å; L537-L541 WeakPolarHBondContact O-CB 3.29Å; L537-L541 PolarHBondContact O-N 3.19Å; A538-L541 PolarHBondContact O-N 3.14Å; V539-L541 VanDerWaalsContact C-N 3.27Å; V539-L541 PolarHBondContact O-N 2.97Å; L541-V543 VanDerWaalsContact C-N 3.34Å; L541-C544 WeakPolarHBondContact O-CB 3.14Å; L541-C544 PolarHBondContact O-N 3.04Å; L541-R545 PolarHBondContact O-N 3.37Å |
| 542 | E | 86.5 | Confident | 82.1 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -34.9 | 173.4 | -178.8 | 58.4 | -164.3 | 0 | 0 | 112.2 | I524 A538 V539 R545 K546 | I524-E542 HydrophobicContact CG2-CB 4.46Å; I524-E542 HydrophobicContact CG2-CG 3.96Å; A538-E542 PolarHBondContact O-N 2.96Å; V539-E542 PolarHBondContact O-N 3.44Å; E542-R545 PolarHBondContact O-N 3.44Å; E542-R545 IonicContact OE1-CZ 2.7Å; E542-R545 IonicContact OE1-NE 3.54Å; E542-R545 PolarHBondContact OE1-NE 3.31Å; E542-R545 IonicContact OE1-NH2 3.02Å; E542-R545 PolarHBondContact OE1-NH2 3.18Å; E542-R545 IonicContact OE2-CZ 3.84Å; E542-R545 IonicContact OE2-NE 2.77Å; E542-R545 PolarHBondContact OE2-NE 2.82Å; E542-R545 IonicContact OE2-NH2 3.68Å; E542-R545 PolarHBondContact OE2-NH2 3.07Å; E542-K546 PolarHBondContact O-N 3.22Å |
| 543 | V | 87.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 169.7 | 175.1 | 0 | 0 | 0 | 0 | 111 | V475 I512 L514 I524 V539 A540 L541 R545 K546 L547 | V475-V543 HydrophobicContact CG1-CG1 4.04Å; V475-V543 HydrophobicContact CG2-CB 4.05Å; V475-V543 HydrophobicContact CG2-CG1 3.69Å; I512-V543 HydrophobicContact CB-CG2 3.87Å; I512-V543 HydrophobicContact CD1-CG2 4.04Å; I512-V543 HydrophobicContact CG1-CG2 4.5Å; I512-V543 HydrophobicContact CG2-CG2 3.92Å; L514-V543 HydrophobicContact CD1-CG1 4.29Å; L514-V543 HydrophobicContact CD2-CG1 4.16Å; I524-V543 HydrophobicContact CB-CG2 3.98Å; I524-V543 HydrophobicContact CD1-CB 4.41Å; I524-V543 HydrophobicContact CD1-CG1 4.41Å; I524-V543 HydrophobicContact CD1-CG2 3.85Å; I524-V543 HydrophobicContact CG2-CG2 3.71Å; V539-V543 WeakPolarHBondContact O-CG2 3.4Å; V539-V543 PolarHBondContact O-N 3.01Å; A540-V543 PolarHBondContact O-N 3.01Å; L541-V543 VanDerWaalsContact C-N 3.34Å; V543-R545 VanDerWaalsContact C-N 3.29Å; V543-R545 PolarHBondContact O-N 2.9Å; V543-K546 PolarHBondContact O-N 3.43Å; V543-L547 HydrophobicContact CG1-CD1 3.8Å; V543-L547 HydrophobicContact CG1-CG 4.32Å; V543-L547 WeakPolarHBondContact O-CB 3.16Å; V543-L547 WeakPolarHBondContact O-CG 3.39Å; V543-L547 PolarHBondContact O-N 3.39Å |
| 544 | C | 87.2 | Confident | 82.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 175.2 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | L466 A540 L541 L547 H548 F557 | L466-C544 HydrophobicContact CD1-CB 4.17Å; A540-C544 PolarHBondContact O-N 3.41Å; A540-C544 PolarHBondContact O-SG 3.36Å; L541-C544 WeakPolarHBondContact O-CB 3.14Å; L541-C544 PolarHBondContact O-N 3.04Å; C544-L547 PolarHBondContact O-N 3.26Å; C544-H548 PolarHBondContact O-N 2.84Å; C544-F557 HydrophobicContact CB-CD1 4.48Å; C544-F557 HydrophobicContact CB-CE1 4.46Å |
| 545 | R | 84 | Confident | 82.2 | Confident | 120 Ų | 120 | 42.9 Ų | 42.9 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.9 | -164.7 | -174.9 | 73.4 | 89 | 0.4 | 112.1 | L541 E542 V543 K549 | L541-R545 PolarHBondContact O-N 3.37Å; E542-R545 PolarHBondContact O-N 3.44Å; E542-R545 IonicContact OE1-CZ 2.7Å; E542-R545 IonicContact OE1-NE 3.54Å; E542-R545 PolarHBondContact OE1-NE 3.31Å; E542-R545 IonicContact OE1-NH2 3.02Å; E542-R545 PolarHBondContact OE1-NH2 3.18Å; E542-R545 IonicContact OE2-CZ 3.84Å; E542-R545 IonicContact OE2-NE 2.77Å; E542-R545 PolarHBondContact OE2-NE 2.82Å; E542-R545 IonicContact OE2-NH2 3.68Å; E542-R545 PolarHBondContact OE2-NH2 3.07Å; V543-R545 VanDerWaalsContact C-N 3.29Å; V543-R545 PolarHBondContact O-N 2.9Å; R545-K549 WeakPolarHBondContact O-CB 3.46Å; R545-K549 PolarHBondContact O-N 2.97Å; R545-K549 VanDerWaalsContact O-N 3.14Å |
| 546 | K | 87.2 | Confident | 81.8 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 175.3 | -75.8 | -171.3 | 172.4 | -165.7 | 0 | 112.5 | L520 E522 I524 E542 V543 K549 H550 | L520-K546 HydrophobicContact CD1-CB 3.83Å; L520-K546 HydrophobicContact CD2-CB 4.4Å; E522-K546 WeakPolarHBondContact OE1-CD 3.31Å; E522-K546 WeakPolarHBondContact OE1-CE 3.47Å; E522-K546 IonicContact OE1-NZ 2.88Å; E522-K546 PolarHBondContact OE1-NZ 2.83Å; E522-K546 IonicContact OE2-NZ 2.71Å; E522-K546 PolarHBondContact OE2-NZ 3.49Å; I524-K546 HydrophobicContact CD1-CB 4.39Å; I524-K546 HydrophobicContact CD1-CD 3.81Å; I524-K546 HydrophobicContact CG1-CD 3.89Å; I524-K546 HydrophobicContact CG2-CD 4.24Å; E542-K546 PolarHBondContact O-N 3.22Å; V543-K546 PolarHBondContact O-N 3.43Å; K546-K549 PolarHBondContact O-N 3.37Å; K546-H550 PolarHBondContact O-N 2.97Å; K546-H550 VanDerWaalsContact O-N 3.15Å; K546-H550 PolarHBondContact O-ND1 2.93Å |
| 547 | L | 85.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 176.9 | -75.7 | 167 | 0 | 0 | 0 | 112.3 | Y478 L514 L520 V543 C544 H550 G551 E552 V553 | Y478-L547 HydrophobicContact CD1-CD1 3.8Å; Y478-L547 HydrophobicContact CD1-CD2 3.89Å; Y478-L547 HydrophobicContact CD2-CD2 4.28Å; Y478-L547 HydrophobicContact CE1-CD1 4.2Å; Y478-L547 HydrophobicContact CE1-CD2 3.45Å; Y478-L547 VanDerWaalsContact CE1-CD2 3.45Å; Y478-L547 HydrophobicContact CE1-CG 4.49Å; Y478-L547 HydrophobicContact CE2-CD2 3.89Å; Y478-L547 HydrophobicContact CG-CD1 4.04Å; Y478-L547 HydrophobicContact CG-CD2 4.27Å; Y478-L547 VanDerWaalsContact CZ-CD2 3.43Å; L514-L547 HydrophobicContact CD1-CD2 4.47Å; L520-L547 HydrophobicContact CD1-CD2 3.79Å; L520-L547 HydrophobicContact CD1-CG 3.97Å; V543-L547 HydrophobicContact CG1-CD1 3.8Å; V543-L547 HydrophobicContact CG1-CG 4.32Å; V543-L547 WeakPolarHBondContact O-CB 3.16Å; V543-L547 WeakPolarHBondContact O-CG 3.39Å; V543-L547 PolarHBondContact O-N 3.39Å; C544-L547 PolarHBondContact O-N 3.26Å; L547-H550 CarbonylContact O-C 3.51Å; L547-H550 PolarHBondContact O-N 3.24Å; L547-H550 VanDerWaalsContact O-N 3.12Å; L547-G551 PolarHBondContact O-N 3.3Å; L547-E552 HydrophobicContact CB-CB 4.4Å; L547-E552 HydrophobicContact CD2-CB 3.79Å; L547-E552 HydrophobicContact CD2-CG 4.1Å; L547-E552 PolarHBondContact O-N 3.23Å; L547-E552 VanDerWaalsContact O-N 3.13Å; L547-V553 HydrophobicContact CB-CG2 3.96Å |
| 548 | H | 82.6 | Confident | 80.8 | Confident | 50 Ų | 50 | 48.6 Ų | 48.6 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 176 | -179.3 | -110.7 | 0 | 0 | 0 | 111.4 | C544 H550 G551 V553 D555 F557 | C544-H548 PolarHBondContact O-N 2.84Å; H548-H550 PolarHBondContact O-N 3.23Å; H548-G551 PolarHBondContact O-N 2.99Å; H548-V553 HydrophobicContact CB-CG2 3.82Å; H548-D555 IonicContact CD2-OD1 2.71Å; H548-D555 IonicContact CE1-OD1 3.56Å; H548-D555 IonicContact NE2-OD1 3.47Å; H548-D555 PolarHBondContact NE2-OD1 2.68Å; H548-F557 HydrophobicContact CB-CE1 3.85Å; H548-F557 HydrophobicContact CB-CZ 4.41Å |
| 549 | K | 83 | Confident | 80.1 | Confident | 175 Ų | 175 | 48.2 Ų | 48.2 | 76% | 0.761 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.2 | -25.7 | 173.5 | -167.2 | -174.6 | 174.7 | -165.1 | 0 | 113.6 | R545 K546 | R545-K549 WeakPolarHBondContact O-CB 3.46Å; R545-K549 PolarHBondContact O-N 2.97Å; R545-K549 VanDerWaalsContact O-N 3.14Å; K546-K549 PolarHBondContact O-N 3.37Å |
| 550 | H | 77.1 | Confident | 79.1 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.5 | 176.1 | -74.1 | 81.1 | 0 | 0 | 0 | 113.9 | K546 L547 H548 E552 | K546-H550 PolarHBondContact O-N 2.97Å; K546-H550 VanDerWaalsContact O-N 3.15Å; K546-H550 PolarHBondContact O-ND1 2.93Å; L547-H550 CarbonylContact O-C 3.51Å; L547-H550 PolarHBondContact O-N 3.24Å; L547-H550 VanDerWaalsContact O-N 3.12Å; H548-H550 PolarHBondContact O-N 3.23Å; H550-E552 VanDerWaalsContact C-N 3.31Å; H550-E552 HydrophobicContact CB-CG 4.21Å; H550-E552 PolarHBondContact O-N 3.45Å |
| 551 | G | 76.2 | Confident | 77.7 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 13.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L547 H548 V553 I560 | L547-G551 PolarHBondContact O-N 3.3Å; H548-G551 PolarHBondContact O-N 2.99Å; G551-V553 VanDerWaalsContact C-N 3.32Å; G551-I560 WeakPolarHBondContact O-CD1 3.37Å |
| 552 | E | 77.4 | Confident | 76.1 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -78 | -17.8 | -179.9 | -68.1 | -77.5 | 118.4 | 0 | 0 | 112.9 | Y478 P519 L547 H550 P559 I560 | Y478-E552 HydrophobicContact CD2-CB 4.49Å; Y478-E552 HydrophobicContact CE2-CB 3.81Å; Y478-E552 HydrophobicContact CE2-CG 4.27Å; Y478-E552 WeakPolarHBondContact CE2-OE2 3.44Å; Y478-E552 VanDerWaalsContact CZ-OE2 3.25Å; Y478-E552 PolarHBondContact OH-OE2 2.64Å; P519-E552 HydrophobicContact CG-CG 4.18Å; L547-E552 HydrophobicContact CB-CB 4.4Å; L547-E552 HydrophobicContact CD2-CB 3.79Å; L547-E552 HydrophobicContact CD2-CG 4.1Å; L547-E552 PolarHBondContact O-N 3.23Å; L547-E552 VanDerWaalsContact O-N 3.13Å; H550-E552 VanDerWaalsContact C-N 3.31Å; H550-E552 HydrophobicContact CB-CG 4.21Å; H550-E552 PolarHBondContact O-N 3.45Å; E552-P559 WeakPolarHBondContact O-CA 3.43Å; E552-I560 PolarHBondContact O-N 2.85Å |
| 553 | V | 77.3 | Confident | 74 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -132.7 | 141 | 174.3 | -74.5 | 0 | 0 | 0 | 0 | 109 | L547 H548 G551 F557 Q558 P559 | L547-V553 HydrophobicContact CB-CG2 3.96Å; H548-V553 HydrophobicContact CB-CG2 3.82Å; G551-V553 VanDerWaalsContact C-N 3.32Å; V553-F557 HydrophobicContact CG2-CD1 4.1Å; V553-Q558 WeakPolarHBondContact CA-O 3.45Å; V553-P559 HydrophobicContact CG1-CB 4.04Å |
| 554 | N | 76.4 | Confident | 71.9 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | trans | -77.1 | 179.8 | 176.5 | 77.9 | -7.8 | 0 | 0 | 0 | 112.5 | Q556 F557 Q558 I560 | N554-Q556 PolarHBondContact ND2-OE1 3.41Å; N554-Q556 PolarHBondContact O-N 3.4Å; N554-Q556 VanDerWaalsContact O-N 3.08Å; N554-Q556 PolarHBondContact OD1-N 3.42Å; N554-Q556 VanDerWaalsContact OD1-N 3.11Å; N554-F557 VanDerWaalsContact O-CA 3.3Å; N554-F557 WeakPolarHBondContact O-CA 3.2Å; N554-F557 PolarHBondContact O-N 3.14Å; N554-F557 PolarHBondContact OD1-N 3.16Å; N554-Q558 PolarHBondContact N-O 3.34Å; N554-Q558 PolarHBondContact OD1-N 2.71Å; N554-Q558 PolarHBondContact OD1-O 2.88Å; N554-I560 HydrophobicContact CB-CD1 4.04Å; N554-I560 HydrophobicContact CB-CG1 4.27Å | ||
| 555 | D | 75.2 | Confident | 69.6 | Low | 80 Ų | 80 | 68.3 Ų | 68.3 | 43% | 0.428 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.6 | -178.1 | -52.4 | -56.3 | 0 | 0 | 0 | 115 | L462 H548 | L462-D555 HydrophobicContact CD2-CB 4.1Å; H548-D555 IonicContact CD2-OD1 2.71Å; H548-D555 IonicContact CE1-OD1 3.56Å; H548-D555 IonicContact NE2-OD1 3.47Å; H548-D555 PolarHBondContact NE2-OD1 2.68Å |
| 556 | Q | 72.8 | Confident | 67.4 | Low | 98 Ų | 98 | 64.8 Ų | 64.8 | 46% | 0.458 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 14.7 | 167.6 | -58.6 | 79.8 | 39.7 | 0 | 0 | 111.9 | S463 N554 Q558 | S463-Q556 PolarHBondContact OG-NE2 2.94Å; N554-Q556 PolarHBondContact ND2-OE1 3.41Å; N554-Q556 PolarHBondContact O-N 3.4Å; N554-Q556 VanDerWaalsContact O-N 3.08Å; N554-Q556 PolarHBondContact OD1-N 3.42Å; N554-Q556 VanDerWaalsContact OD1-N 3.11Å; Q556-Q558 PolarHBondContact O-N 3.16Å; Q556-Q558 VanDerWaalsContact O-N 3.16Å |
| 557 | F | 71 | Confident | 65 | Low | 23 Ų | 23 | 71.9 Ų | 71.9 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | trans | 51.1 | 32.3 | -176.3 | -67 | -91.9 | 0 | 0 | 0 | 114.1 | L462 L466 I474 C544 H548 V553 N554 | L462-F557 HydrophobicContact CD1-CE2 4.16Å; L462-F557 HydrophobicContact CD1-CZ 4.16Å; L462-F557 HydrophobicContact CD2-CE2 4.23Å; L466-F557 HydrophobicContact CD1-CB 4.37Å; L466-F557 HydrophobicContact CD1-CD1 3.51Å; L466-F557 HydrophobicContact CD1-CD2 3.77Å; L466-F557 HydrophobicContact CD1-CE1 3.61Å; L466-F557 HydrophobicContact CD1-CE2 3.87Å; L466-F557 HydrophobicContact CD1-CG 3.6Å; L466-F557 HydrophobicContact CD1-CZ 3.79Å; I474-F557 HydrophobicContact CD1-CB 3.92Å; I474-F557 HydrophobicContact CG1-CB 4.45Å; I474-F557 HydrophobicContact CG2-CB 4.27Å; C544-F557 HydrophobicContact CB-CD1 4.48Å; C544-F557 HydrophobicContact CB-CE1 4.46Å; H548-F557 HydrophobicContact CB-CE1 3.85Å; H548-F557 HydrophobicContact CB-CZ 4.41Å; V553-F557 HydrophobicContact CG2-CD1 4.1Å; N554-F557 VanDerWaalsContact O-CA 3.3Å; N554-F557 WeakPolarHBondContact O-CA 3.2Å; N554-F557 PolarHBondContact O-N 3.14Å; N554-F557 PolarHBondContact OD1-N 3.16Å | ||
| 558 | Q | 69.3 | Low | 62.6 | Low | 89 Ų | 89 | 75.1 Ų | 75.1 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | trans | -89 | 127.9 | 169.1 | -65.1 | -142.5 | 37 | 0 | 0 | 110.3 | V553 N554 Q556 I560 | V553-Q558 WeakPolarHBondContact CA-O 3.45Å; N554-Q558 PolarHBondContact N-O 3.34Å; N554-Q558 PolarHBondContact OD1-N 2.71Å; N554-Q558 PolarHBondContact OD1-O 2.88Å; Q556-Q558 PolarHBondContact O-N 3.16Å; Q556-Q558 VanDerWaalsContact O-N 3.16Å; Q558-I560 PolarHBondContact O-N 2.72Å | ||
| 559 | P | 67.9 | Low | 60.5 | Low | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 128.6 | -179 | 19.3 | -26.4 | 0 | 0 | 0 | 111.9 | R477 Y478 R481 E552 V553 G561 | R477-P559 HydrophobicContact CB-CG 4.18Å; Y478-P559 HydrophobicContact CD2-CB 3.92Å; Y478-P559 HydrophobicContact CG-CB 4.5Å; R481-P559 HydrophobicContact CB-CB 4.25Å; R481-P559 HydrophobicContact CB-CG 4.29Å; R481-P559 VanDerWaalsContact CD-O 3.31Å; R481-P559 WeakPolarHBondContact CD-O 3.25Å; R481-P559 HydrophobicContact CG-CG 4.19Å; R481-P559 PolarHBondContact NH1-O 3.21Å; E552-P559 WeakPolarHBondContact O-CA 3.43Å; V553-P559 HydrophobicContact CG1-CB 4.04Å; P559-G561 PolarHBondContact O-N 2.78Å |
| 560 | I | 67.6 | Low | 58.4 | Low | 111 Ų | 111 | 72.2 Ų | 72.2 | 57% | 0.569 | 38% | 0.375 | S | S | * | . | trans | -82.9 | 94.8 | -176.9 | -64.2 | 160.5 | 0 | 0 | 0 | 107.2 | G551 E552 N554 Q558 | G551-I560 WeakPolarHBondContact O-CD1 3.37Å; E552-I560 PolarHBondContact O-N 2.85Å; N554-I560 HydrophobicContact CB-CD1 4.04Å; N554-I560 HydrophobicContact CB-CG1 4.27Å; Q558-I560 PolarHBondContact O-N 2.72Å | ||
| 561 | G | 55.3 | Low | 56.3 | Low | 20 Ų | 20 | 71.8 Ų | 71.8 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | trans | -148.9 | 135 | -169 | 0 | 0 | 0 | 0 | 0 | 114.7 | P559 S563 | P559-G561 PolarHBondContact O-N 2.78Å; G561-S563 PolarHBondContact O-N 3.45Å; G561-S563 PolarHBondContact O-OG 2.93Å | ||
| 562 | R | 50.3 | Low | 54.4 | Low | 138 Ų | 138 | 73.5 Ų | 73.5 | 52% | 0.521 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 46.3 | -50.1 | 178.8 | -104.8 | 176.5 | 177.1 | 156.9 | 0.3 | 118.4 | S484 V564 L565 S566 | S484-R562 PolarHBondContact O-NH1 3.44Å; S484-R562 PolarHBondContact O-NH2 3.35Å; R562-V564 VanDerWaalsContact C-N 3.26Å; R562-V564 PolarHBondContact O-N 3.02Å; R562-L565 PolarHBondContact O-N 2.92Å; R562-S566 WeakPolarHBondContact O-CB 3.45Å; R562-S566 PolarHBondContact O-N 2.77Å; R562-S566 PolarHBondContact O-OG 3.31Å; R562-S566 VanDerWaalsContact O-OG 3.13Å |
| 563 | S | 43.7 | Very low | 52.4 | Low | 80 Ų | 80 | 79 Ų | 79 | 56% | 0.559 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.8 | -166.8 | 55.1 | 0 | 0 | 0 | 0 | 117.7 | G561 S566 | G561-S563 PolarHBondContact O-N 3.45Å; G561-S563 PolarHBondContact O-OG 2.93Å; S563-S566 WeakPolarHBondContact CA-OG 3.32Å |
| 564 | V | 43.5 | Very low | 50.6 | Low | 103 Ų | 103 | 80.8 Ų | 80.8 | 62% | 0.624 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -53.3 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | R562 S566 R567 | R562-V564 VanDerWaalsContact C-N 3.26Å; R562-V564 PolarHBondContact O-N 3.02Å; V564-S566 VanDerWaalsContact C-N 3.31Å; V564-S566 PolarHBondContact O-N 2.72Å; V564-R567 PolarHBondContact O-N 2.8Å |
| 565 | L | 38.3 | Very low | 48.9 | Very low | 51 Ų | 51 | 83.4 Ų | 83.4 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.5 | -33.3 | -179.7 | -65.9 | 165.1 | 0 | 0 | 0 | 112.9 | R562 R567 I568 L569 N1286 V1289 | R562-L565 PolarHBondContact O-N 2.92Å; L565-R567 PolarHBondContact O-N 3.37Å; L565-I568 PolarHBondContact O-N 3.33Å; L565-L569 PolarHBondContact O-N 3.46Å; L565-N1286 VanDerWaalsContact CD1-OD1 3.25Å; L565-N1286 WeakPolarHBondContact CD1-OD1 3.35Å; L565-V1289 HydrophobicContact CD2-CB 4.23Å; L565-V1289 HydrophobicContact CD2-CG1 3.89Å; L565-V1289 HydrophobicContact CD2-CG2 4.19Å |
| 566 | S | 38.3 | Very low | 47.3 | Very low | 47 Ų | 47 | 82.4 Ų | 82.4 | 33% | 0.329 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74.5 | -10.1 | -179.4 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | R562 S563 V564 I570 | R562-S566 WeakPolarHBondContact O-CB 3.45Å; R562-S566 PolarHBondContact O-N 2.77Å; R562-S566 PolarHBondContact O-OG 3.31Å; R562-S566 VanDerWaalsContact O-OG 3.13Å; S563-S566 WeakPolarHBondContact CA-OG 3.32Å; V564-S566 VanDerWaalsContact C-N 3.31Å; V564-S566 PolarHBondContact O-N 2.72Å; S566-I570 VanDerWaalsContact O-CD1 3.24Å; S566-I570 WeakPolarHBondContact O-CD1 3.34Å; S566-I570 VanDerWaalsContact O-CG1 3.25Å; S566-I570 WeakPolarHBondContact O-CG1 3.32Å |
| 567 | R | 37.2 | Very low | 45.8 | Very low | 190 Ų | 190 | 79.8 Ų | 79.8 | 72% | 0.717 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -76.6 | -56.9 | 163.3 | -79.4 | -178.9 | 162.7 | 177.8 | -7.1 | 109.2 | V564 L565 L569 I570 D571 | V564-R567 PolarHBondContact O-N 2.8Å; L565-R567 PolarHBondContact O-N 3.37Å; R567-L569 VanDerWaalsContact C-N 3.29Å; R567-L569 PolarHBondContact O-N 2.82Å; R567-I570 PolarHBondContact O-N 2.8Å; R567-D571 PolarHBondContact O-N 3.5Å |
| 568 | I | 35.2 | Very low | 44.2 | Very low | 68 Ų | 68 | 83.7 Ų | 83.7 | 35% | 0.349 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -50 | -47.7 | 178.4 | -54.9 | 172.6 | 0 | 0 | 0 | 111.4 | L565 I570 D571 C572 V1289 | L565-I568 PolarHBondContact O-N 3.33Å; I568-I570 PolarHBondContact O-N 3.47Å; I568-D571 CarbonylContact O-C 3.45Å; I568-D571 PolarHBondContact O-N 3.46Å; I568-C572 VanDerWaalsContact O-CB 3.32Å; I568-C572 WeakPolarHBondContact O-CB 3.25Å; I568-C572 PolarHBondContact O-N 3.38Å; I568-C572 PolarHBondContact O-SG 2.8Å; I568-V1289 HydrophobicContact CG2-CG1 4.4Å |
| 569 | L | 37.4 | Very low | 42.7 | Very low | 59 Ų | 59 | 81.6 Ų | 81.6 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 177.6 | -80.7 | 157.1 | 0 | 0 | 0 | 113.9 | L565 R567 D571 C572 E573 V1289 | L565-L569 PolarHBondContact O-N 3.46Å; R567-L569 VanDerWaalsContact C-N 3.29Å; R567-L569 PolarHBondContact O-N 2.82Å; L569-D571 VanDerWaalsContact C-N 3.31Å; L569-C572 PolarHBondContact O-N 3.43Å; L569-E573 PolarHBondContact O-N 2.88Å; L569-E573 VanDerWaalsContact O-N 3.16Å; L569-V1289 HydrophobicContact CD1-CG2 3.77Å; L569-V1289 HydrophobicContact CD2-CG2 3.82Å; L569-V1289 HydrophobicContact CG-CG2 3.62Å |
| 570 | I | 38.8 | Very low | 41.4 | Very low | 104 Ų | 104 | 88.1 Ų | 88.1 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.5 | -33.9 | 179.1 | -70.7 | 174 | 0 | 0 | 0 | 111 | S566 R567 I568 | S566-I570 VanDerWaalsContact O-CD1 3.24Å; S566-I570 WeakPolarHBondContact O-CD1 3.34Å; S566-I570 VanDerWaalsContact O-CG1 3.25Å; S566-I570 WeakPolarHBondContact O-CG1 3.32Å; R567-I570 PolarHBondContact O-N 2.8Å; I568-I570 PolarHBondContact O-N 3.47Å |
| 571 | D | 34.2 | Very low | 40.4 | Very low | 97 Ų | 97 | 89.3 Ų | 89.3 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -83.4 | -11.8 | 178.8 | -58.4 | -38 | 0 | 0 | 0 | 112.7 | R567 I568 L569 | R567-D571 PolarHBondContact O-N 3.5Å; I568-D571 CarbonylContact O-C 3.45Å; I568-D571 PolarHBondContact O-N 3.46Å; L569-D571 VanDerWaalsContact C-N 3.31Å |
| 572 | C | 35 | Very low | 39.9 | Very low | 82 Ų | 82 | 91.4 Ų | 91.4 | 55% | 0.554 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -100.5 | -21.4 | 176.9 | -72 | 0 | 0 | 0 | 0 | 115.3 | I568 L569 | I568-C572 VanDerWaalsContact O-CB 3.32Å; I568-C572 WeakPolarHBondContact O-CB 3.25Å; I568-C572 PolarHBondContact O-N 3.38Å; I568-C572 PolarHBondContact O-SG 2.8Å; L569-C572 PolarHBondContact O-N 3.43Å |
| 573 | E | 35.2 | Very low | 40 | Very low | 164 Ų | 164 | 90.1 Ų | 90.1 | 77% | 0.766 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -87.8 | -29.6 | 179.1 | -75.3 | -175.3 | -173.1 | 0 | 0 | 113.9 | L569 | L569-E573 PolarHBondContact O-N 2.88Å; L569-E573 VanDerWaalsContact O-N 3.16Å |
| 574 | D | 40.5 | Very low | 40.8 | Very low | 39 Ų | 39 | 88 Ų | 88 | 21% | 0.209 | 48% | 0.475 | C | S | . | . | trans | -100.1 | 86.4 | 172.3 | -92.6 | -24.7 | 0 | 0 | 0 | 109 | E576 V577 R1669 | D574-E576 PolarHBondContact O-N 3.14Å; D574-V577 HydrophobicContact CB-CG2 3.67Å; D574-V577 WeakPolarHBondContact O-CG2 3.38Å; D574-V577 PolarHBondContact O-N 3.4Å; D574-R1669 IonicContact OD2-CZ 3.5Å; D574-R1669 IonicContact OD2-NH2 3.11Å; D574-R1669 PolarHBondContact OD2-NH2 3.39Å | ||
| 575 | D | 39.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 85.5 Ų | 85.5 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -6.6 | 170 | -105.7 | -20.4 | 0 | 0 | 0 | 113.4 | N1297 | D575-N1297 PolarHBondContact OD2-ND2 2.84Å; D575-N1297 VanDerWaalsContact OD2-ND2 3.1Å |
| 576 | E | 42.9 | Very low | 43 | Very low | 59 Ų | 59 | 83.7 Ų | 83.7 | 28% | 0.276 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 20.3 | 171.3 | -68.7 | -150.9 | -134.6 | 0 | 0 | 114.4 | D574 W578 R590 Y1695 | D574-E576 PolarHBondContact O-N 3.14Å; E576-W578 VanDerWaalsContact C-N 3.32Å; E576-W578 PolarHBondContact O-N 3.44Å; E576-R590 VanDerWaalsContact CD-NH2 3.32Å; E576-R590 IonicContact OE1-NH2 3.94Å; E576-R590 IonicContact OE2-CZ 2.66Å; E576-R590 IonicContact OE2-NH1 3.78Å; E576-R590 IonicContact OE2-NH2 2.6Å; E576-R590 PolarHBondContact OE2-NH2 2.74Å; E576-Y1695 HydrophobicContact CG-CE1 4.4Å; E576-Y1695 WeakPolarHBondContact OE1-CE1 3.45Å; E576-Y1695 PolarHBondContact OE1-OH 2.85Å |
| 577 | V | 40 | Very low | 44.4 | Very low | 42 Ų | 42 | 81.7 Ų | 81.7 | 26% | 0.255 | 44% | 0.436 | S | S | . | . | trans | -65.8 | 94.3 | 163.6 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | D574 P579 | D574-V577 HydrophobicContact CB-CG2 3.67Å; D574-V577 WeakPolarHBondContact O-CG2 3.38Å; D574-V577 PolarHBondContact O-N 3.4Å; V577-P579 VanDerWaalsContact O-CD 3.3Å; V577-P579 WeakPolarHBondContact O-CD 3.4Å | ||
| 578 | W | 38.3 | Very low | 45.9 | Very low | 106 Ų | 106 | 73.7 Ų | 73.7 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | trans | -60.5 | 122.6 | 176.1 | -60.8 | 76.4 | 0 | 0 | 0 | 110.7 | E576 R590 R1666 | E576-W578 VanDerWaalsContact C-N 3.32Å; E576-W578 PolarHBondContact O-N 3.44Å; W578-R590 VanDerWaalsContact CZ2-NH1 3.31Å; W578-R1666 VanDerWaalsContact CG-NH2 3.27Å; W578-R1666 HydrophobicContact CZ2-CG 4.31Å | ||
| 579 | P | 38.2 | Very low | 47.8 | Very low | 45 Ų | 45 | 73.9 Ų | 73.9 | 29% | 0.292 | 42% | 0.417 | S | S | . | . | trans | -56 | 141.9 | 163.4 | -25.4 | 37.3 | 0 | 0 | 0 | 110.2 | V577 D581 G582 K583 L585 | V577-P579 VanDerWaalsContact O-CD 3.3Å; V577-P579 WeakPolarHBondContact O-CD 3.4Å; P579-D581 PolarHBondContact O-N 3.24Å; P579-D581 VanDerWaalsContact O-N 3.08Å; P579-G582 PolarHBondContact O-N 3.48Å; P579-K583 WeakPolarHBondContact CG-O 3.49Å; P579-L585 HydrophobicContact CG-CD1 4.31Å; P579-L585 HydrophobicContact CG-CD2 4.11Å; P579-L585 HydrophobicContact CG-CG 3.84Å | ||
| 580 | T | 39.9 | Very low | 49.3 | Very low | 140 Ų | 140 | 76.8 Ų | 76.8 | 86% | 0.859 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -28 | 179.9 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 581 | D | 45.5 | Very low | 51.2 | Low | 137 Ų | 137 | 74 Ų | 74 | 73% | 0.733 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 6 | -168 | -57.2 | 14.7 | 0 | 0 | 0 | 112.2 | P579 K583 | P579-D581 PolarHBondContact O-N 3.24Å; P579-D581 VanDerWaalsContact O-N 3.08Å; D581-K583 VanDerWaalsContact C-N 3.25Å; D581-K583 PolarHBondContact O-N 3.35Å; D581-K583 VanDerWaalsContact O-N 3.11Å |
| 582 | G | 45.5 | Very low | 53.3 | Low | 63 Ų | 63 | 76.6 Ų | 76.6 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | trans | 76.4 | -9.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117 | P579 | P579-G582 PolarHBondContact O-N 3.48Š| ||
| 583 | K | 51.9 | Low | 55.4 | Low | 112 Ų | 112 | 74.1 Ų | 74.1 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 143.7 | 168.1 | -71.7 | -173.8 | 176.9 | -177.8 | 0 | 110.8 | P579 D581 E1344 | P579-K583 WeakPolarHBondContact CG-O 3.49Å; D581-K583 VanDerWaalsContact C-N 3.25Å; D581-K583 PolarHBondContact O-N 3.35Å; D581-K583 VanDerWaalsContact O-N 3.11Å; K583-E1344 VanDerWaalsContact NZ-CD 3.28Å; K583-E1344 IonicContact NZ-OE1 3.4Å; K583-E1344 PolarHBondContact NZ-OE1 3.11Å; K583-E1344 VanDerWaalsContact NZ-OE1 3.11Å; K583-E1344 IonicContact NZ-OE2 3.56Å; K583-E1344 PolarHBondContact NZ-OE2 2.64Å |
| 584 | A | 60.9 | Low | 57.7 | Low | 35 Ų | 35 | 71.3 Ų | 71.3 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 140.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | R590 R591 | A584-R590 HydrophobicContact CB-CB 3.98Å; A584-R591 HydrophobicContact CB-CB 3.97Å |
| 585 | L | 65.4 | Low | 59.7 | Low | 50 Ų | 50 | 70.7 Ų | 70.7 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 145.7 | 179.5 | -75.4 | 162.3 | 0 | 0 | 0 | 111.7 | P579 S588 L1352 | P579-L585 HydrophobicContact CG-CD1 4.31Å; P579-L585 HydrophobicContact CG-CD2 4.11Å; P579-L585 HydrophobicContact CG-CG 3.84Å; L585-S588 WeakPolarHBondContact O-CB 3.36Å; L585-S588 PolarHBondContact O-N 3.16Å; L585-L1352 HydrophobicContact CD2-CD1 4.48Å |
| 586 | P | 64 | Low | 61.8 | Low | 14 Ų | 14 | 72.7 Ų | 72.7 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 138.3 | 172.4 | -4.3 | 18.8 | 0 | 0 | 0 | 110.4 | S588 Y1298 M1348 | P586-S588 VanDerWaalsContact C-N 3.31Å; P586-Y1298 HydrophobicContact CB-CD2 3.79Å; P586-Y1298 HydrophobicContact CB-CE2 3.84Å; P586-Y1298 HydrophobicContact CG-CD2 4.49Å; P586-Y1298 HydrophobicContact CG-CE2 4.3Å; P586-M1348 HydrophobicContact CG-CG 4.17Å |
| 587 | G | 66 | Low | 63.9 | Low | 5 Ų | 5 | 72 Ų | 72 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -5.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1393 K1394 | G587-D1393 VanDerWaalsContact CA-CB 3.48Å; G587-D1393 VanDerWaalsContact N-CB 3.32Å; G587-D1393 PolarHBondContact N-OD2 3.17Å; G587-K1394 PolarHBondContact O-N 2.7Å |
| 588 | S | 70.3 | Confident | 66.2 | Low | 22 Ų | 22 | 72.2 Ų | 72.2 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | trans | -82.4 | 144.9 | 176.6 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | L585 P586 R590 R591 | L585-S588 WeakPolarHBondContact O-CB 3.36Å; L585-S588 PolarHBondContact O-N 3.16Å; P586-S588 VanDerWaalsContact C-N 3.31Å; S588-R590 PolarHBondContact O-N 3.26Å; S588-R590 VanDerWaalsContact O-N 3.13Å; S588-R590 PolarHBondContact OG-N 2.98Å; S588-R591 PolarHBondContact O-N 2.82Å; S588-R591 VanDerWaalsContact O-N 3.07Å | ||
| 589 | S | 75.2 | Confident | 68.6 | Low | 72 Ų | 72 | 69.1 Ų | 69.1 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.5 | 170.3 | 59 | 0 | 0 | 0 | 0 | 113.8 | S1392 | S589-S1392 WeakPolarHBondContact O-CB 3.33Š|
| 590 | R | 68.2 | Low | 71.2 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -22.4 | 176 | -67.3 | -178.3 | 179.1 | 144.8 | 6.2 | 113.7 | E576 W578 A584 S588 | E576-R590 VanDerWaalsContact CD-NH2 3.32Å; E576-R590 IonicContact OE1-NH2 3.94Å; E576-R590 IonicContact OE2-CZ 2.66Å; E576-R590 IonicContact OE2-NH1 3.78Å; E576-R590 IonicContact OE2-NH2 2.6Å; E576-R590 PolarHBondContact OE2-NH2 2.74Å; W578-R590 VanDerWaalsContact CZ2-NH1 3.31Å; A584-R590 HydrophobicContact CB-CB 3.98Å; S588-R590 PolarHBondContact O-N 3.26Å; S588-R590 VanDerWaalsContact O-N 3.13Å; S588-R590 PolarHBondContact OG-N 2.98Å |
| 591 | R | 77.9 | Confident | 73.6 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 18% | 0.177 | 34% | 0.336 | C | S | . | . | trans | -90 | 113.1 | 175.8 | -177.2 | 164.8 | 165.7 | -172.7 | -11 | 108.4 | A584 S588 Q593 D1345 S1392 D1393 | A584-R591 HydrophobicContact CB-CB 3.97Å; S588-R591 PolarHBondContact O-N 2.82Å; S588-R591 VanDerWaalsContact O-N 3.07Å; R591-Q593 HydrophobicContact CG-CG 4.49Å; R591-Q593 VanDerWaalsContact CZ-NE2 3.3Å; R591-D1345 IonicContact CZ-OD1 3.42Å; R591-D1345 IonicContact NH1-OD1 3.13Å; R591-D1345 PolarHBondContact NH1-OD1 3.19Å; R591-D1345 VanDerWaalsContact NH2-CG 3.33Å; R591-D1345 IonicContact NH2-OD1 3.94Å; R591-D1345 PolarHBondContact NH2-OD1 3.42Å; R591-D1345 IonicContact NH2-OD2 3.73Å; R591-D1345 PolarHBondContact NH2-OD2 2.8Å; R591-D1345 VanDerWaalsContact NH2-OD2 3.09Å; R591-S1392 CarbonylContact O-C 3.46Å; R591-S1392 WeakPolarHBondContact O-CA 3.33Å; R591-D1393 WeakPolarHBondContact CD-OD2 3.44Å; R591-D1393 WeakPolarHBondContact CG-OD2 3.21Å; R591-D1393 IonicContact CZ-OD2 3.42Å; R591-D1393 IonicContact NE-OD2 2.63Å; R591-D1393 PolarHBondContact NE-OD2 2.99Å; R591-D1393 PolarHBondContact O-N 2.93Å | ||
| 592 | K | 79.7 | Confident | 75.7 | Confident | 150 Ų | 150 | 62.8 Ų | 62.8 | 65% | 0.652 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 143.3 | 171.7 | -66.2 | -168.9 | 178 | -170.2 | 0 | 110.7 | L1391 | K592-L1391 CarbonylContact C-O 3.55Å; K592-L1391 VanDerWaalsContact CA-O 3.23Å; K592-L1391 WeakPolarHBondContact CA-O 3.47Å |
| 593 | Q | 79.3 | Confident | 77.8 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.1 | 178 | -61.3 | -174.6 | 24.4 | 0 | 0 | 110.2 | R591 Y595 Y1301 L1391 D1393 | R591-Q593 HydrophobicContact CG-CG 4.49Å; R591-Q593 VanDerWaalsContact CZ-NE2 3.3Å; Q593-Y595 HydrophobicContact CB-CE2 3.74Å; Q593-Y595 WeakPolarHBondContact O-CD2 3.5Å; Q593-Y595 PolarHBondContact OE1-OH 3.23Å; Q593-Y1301 PolarHBondContact NE2-OH 3.49Å; Q593-Y1301 PolarHBondContact OE1-OH 3.35Å; Q593-L1391 PolarHBondContact N-O 2.96Å; Q593-L1391 PolarHBondContact O-N 3.23Å; Q593-D1393 WeakPolarHBondContact CG-OD1 3.46Å; Q593-D1393 VanDerWaalsContact NE2-CG 3.3Å; Q593-D1393 PolarHBondContact NE2-OD1 3.09Å; Q593-D1393 PolarHBondContact NE2-OD2 2.79Å; Q593-D1393 VanDerWaalsContact NE2-OD2 3.13Å |
| 594 | H | 81.9 | Confident | 79.6 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118 | -178 | -68.8 | 133.5 | 0 | 0 | 0 | 111.4 | D1383 Q1389 | H594-D1383 IonicContact CE1-OD1 3.45Å; H594-D1383 IonicContact CE1-OD2 3.8Å; H594-D1383 PolarHBondContact CE1-OD2 3.48Å; H594-D1383 VanDerWaalsContact CE1-OD2 3.27Å; H594-D1383 IonicContact ND1-OD1 3.83Å; H594-D1383 IonicContact ND1-OD2 2.76Å; H594-D1383 IonicContact NE2-OD2 2.76Å; H594-Q1389 WeakPolarHBondContact CA-O 3.45Å |
| 595 | Y | 83.7 | Confident | 80.9 | Confident | 27 Ų | 27 | 62 Ų | 62 | 11% | 0.106 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 140.6 | 175.2 | -64.9 | -90.4 | 0 | 0 | 0 | 109.6 | Q593 G1310 K1388 Q1389 L1391 I1396 | Q593-Y595 HydrophobicContact CB-CE2 3.74Å; Q593-Y595 WeakPolarHBondContact O-CD2 3.5Å; Q593-Y595 PolarHBondContact OE1-OH 3.23Å; Y595-G1310 WeakPolarHBondContact CB-O 3.49Å; Y595-K1388 CarbonylContact O-C 3.58Å; Y595-K1388 WeakPolarHBondContact O-CA 3.34Å; Y595-Q1389 PolarHBondContact N-O 3.35Å; Y595-Q1389 PolarHBondContact O-N 3.48Å; Y595-L1391 HydrophobicContact CD2-CB 3.95Å; Y595-L1391 HydrophobicContact CD2-CD1 3.84Å; Y595-L1391 HydrophobicContact CD2-CG 4.18Å; Y595-L1391 HydrophobicContact CE2-CB 4.09Å; Y595-L1391 HydrophobicContact CE2-CD1 4.38Å; Y595-L1391 HydrophobicContact CG-CD1 4.31Å; Y595-I1396 HydrophobicContact CD2-CD1 4.48Å; Y595-I1396 HydrophobicContact CE1-CD1 4.12Å; Y595-I1396 HydrophobicContact CE2-CD1 3.58Å; Y595-I1396 VanDerWaalsContact OH-CD1 3.23Å; Y595-I1396 WeakPolarHBondContact OH-CD1 3.37Å |
| 596 | R | 84.3 | Confident | 81.9 | Confident | 146 Ų | 146 | 59.7 Ų | 59.7 | 55% | 0.551 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.2 | 169.3 | -171.4 | 177.1 | 178 | 173.5 | -2.2 | 108.2 | K598 D717 T1387 | R596-K598 PolarHBondContact O-N 2.81Å; R596-D717 IonicContact CZ-OD2 2.71Å; R596-D717 IonicContact NH2-OD1 3.9Å; R596-D717 PolarHBondContact NH2-OD1 2.71Å; R596-D717 IonicContact NH2-OD2 2.71Å; R596-D717 PolarHBondContact NH2-OD2 2.71Å; R596-T1387 CarbonylContact C-O 3.58Å; R596-T1387 WeakPolarHBondContact CA-O 3.37Å; R596-T1387 WeakPolarHBondContact CG-O 3.45Å |
| 597 | K | 86.5 | Confident | 83.2 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 121.9 | 172.5 | -71.5 | 173.3 | 167.9 | 171.6 | 0 | 108.4 | N1323 L1385 T1387 K1388 Q1389 | K597-N1323 PolarHBondContact NZ-O 3.17Å; K597-L1385 PolarHBondContact NZ-O 3.07Å; K597-T1387 PolarHBondContact N-O 2.93Å; K597-K1388 VanDerWaalsContact CE-O 3.29Å; K597-K1388 WeakPolarHBondContact CE-O 3.44Å; K597-Q1389 HydrophobicContact CG-CB 4.45Å; K597-Q1389 HydrophobicContact CG-CG 4.37Å |
| 598 | K | 88.5 | Confident | 84.3 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 146.6 | -179.7 | -153.3 | -167.7 | -145.5 | 80.7 | 0 | 110.7 | R596 L905 E1311 F1312 | R596-K598 PolarHBondContact O-N 2.81Å; K598-L905 HydrophobicContact CB-CD1 4.31Å; K598-L905 HydrophobicContact CB-CD2 3.83Å; K598-L905 HydrophobicContact CD-CD2 3.68Å; K598-L905 HydrophobicContact CG-CD2 4Å; K598-E1311 HydrophobicContact CB-CB 4.08Å; K598-E1311 WeakPolarHBondContact CB-O 3.45Å; K598-E1311 HydrophobicContact CG-CB 4.47Å; K598-E1311 PolarHBondContact N-O 3.04Å; K598-E1311 VanDerWaalsContact N-O 3.1Å; K598-E1311 IonicContact NZ-OE2 2.69Å; K598-E1311 PolarHBondContact NZ-OE2 2.92Å; K598-F1312 HydrophobicContact CD-CD1 3.87Å; K598-F1312 HydrophobicContact CD-CD2 4.29Å; K598-F1312 HydrophobicContact CD-CE1 3.58Å; K598-F1312 HydrophobicContact CD-CE2 4.05Å; K598-F1312 HydrophobicContact CD-CG 4.22Å; K598-F1312 HydrophobicContact CD-CZ 3.69Å |
| 599 | I | 89.2 | Confident | 85.1 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | trans | -109.2 | 133.9 | 169 | -72.3 | 165.8 | 0 | 0 | 0 | 107.8 | K601 L603 F604 D717 T718 | I599-K601 PolarHBondContact O-N 2.97Å; I599-L603 HydrophobicContact CG2-CB 4.49Å; I599-F604 HydrophobicContact CG2-CB 4.1Å; I599-F604 HydrophobicContact CG2-CD2 4.25Å; I599-D717 HydrophobicContact CD1-CB 3.31Å; I599-T718 HydrophobicContact CB-CG2 4.47Å; I599-T718 HydrophobicContact CD1-CG2 4.07Å; I599-T718 HydrophobicContact CG1-CG2 4.08Å; I599-T718 HydrophobicContact CG2-CG2 3.59Å | ||
| 600 | P | 92.2 | Very high | 85.7 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | trans | -56.2 | 136.3 | 176.3 | -24.8 | 32.8 | 0 | 0 | 0 | 111.7 | V602 L603 F604 C901 L904 L905 | P600-V602 HydrophobicContact CB-CG2 4.22Å; P600-V602 PolarHBondContact O-N 2.75Å; P600-V602 VanDerWaalsContact O-N 3.07Å; P600-L603 HydrophobicContact CB-CD1 4.45Å; P600-L603 HydrophobicContact CB-CG 4.35Å; P600-L603 HydrophobicContact CG-CD1 4.13Å; P600-L603 PolarHBondContact O-N 2.83Å; P600-F604 PolarHBondContact O-N 3.16Å; P600-C901 HydrophobicContact CG-CB 4.47Å; P600-C901 WeakPolarHBondContact CG-O 3.43Å; P600-L904 HydrophobicContact CB-CB 3.79Å; P600-L904 HydrophobicContact CB-CD1 4.48Å; P600-L904 HydrophobicContact CG-CB 3.67Å; P600-L904 HydrophobicContact CG-CD1 4.42Å; P600-L905 HydrophobicContact CB-CD2 4.46Å; P600-L905 HydrophobicContact CG-CD2 3.92Å; P600-L905 HydrophobicContact CG-CG 3.99Å | ||
| 601 | K | 89.6 | Confident | 86.7 | Confident | 147 Ų | 147 | 63.5 Ų | 63.5 | 64% | 0.639 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.7 | -178.7 | -73.2 | -174.2 | -176.4 | 77.7 | 0 | 114 | I599 L603 E908 | I599-K601 PolarHBondContact O-N 2.97Å; K601-L603 VanDerWaalsContact C-N 3.3Å; K601-L603 PolarHBondContact O-N 2.99Å; K601-E908 WeakPolarHBondContact CG-OE2 3.12Å; K601-E908 PolarHBondContact N-OE2 2.86Å; K601-E908 IonicContact NZ-OE1 2.72Å; K601-E908 PolarHBondContact NZ-OE1 3.2Å; K601-E908 IonicContact NZ-OE2 3.59Å |
| 602 | V | 89.4 | Confident | 87.3 | Confident | 39 Ų | 39 | 66 Ų | 66 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -5.9 | 177.5 | -72 | 0 | 0 | 0 | 0 | 114.7 | P600 A606 L654 L904 | P600-V602 HydrophobicContact CB-CG2 4.22Å; P600-V602 PolarHBondContact O-N 2.75Å; P600-V602 VanDerWaalsContact O-N 3.07Å; V602-A606 WeakPolarHBondContact O-CB 3.18Å; V602-L654 HydrophobicContact CG2-CD2 4.44Å; V602-L904 HydrophobicContact CG2-CD1 4.41Å; V602-L904 HydrophobicContact CG2-CD2 4.3Å |
| 603 | L | 90.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -11.4 | 173.6 | -61.1 | -177.7 | 0 | 0 | 0 | 112.9 | I599 P600 K601 H605 L654 T718 F720 L904 | I599-L603 HydrophobicContact CG2-CB 4.49Å; P600-L603 HydrophobicContact CB-CD1 4.45Å; P600-L603 HydrophobicContact CB-CG 4.35Å; P600-L603 HydrophobicContact CG-CD1 4.13Å; P600-L603 PolarHBondContact O-N 2.83Å; K601-L603 VanDerWaalsContact C-N 3.3Å; K601-L603 PolarHBondContact O-N 2.99Å; L603-H605 PolarHBondContact O-N 3.04Å; L603-L654 HydrophobicContact CD2-CD2 3.65Å; L603-T718 HydrophobicContact CB-CG2 4.41Å; L603-F720 HydrophobicContact CB-CD1 4.21Å; L603-F720 HydrophobicContact CB-CE1 4.38Å; L603-F720 HydrophobicContact CD1-CD1 4.44Å; L603-F720 HydrophobicContact CD1-CE1 3.93Å; L603-F720 HydrophobicContact CD2-CD1 3.76Å; L603-F720 HydrophobicContact CD2-CE1 4Å; L603-F720 HydrophobicContact CD2-CG 4.32Å; L603-F720 HydrophobicContact CG-CD1 4.36Å; L603-F720 HydrophobicContact CG-CE1 4.34Å; L603-L904 HydrophobicContact CD1-CD1 3.73Å; L603-L904 HydrophobicContact CD2-CD1 4.39Å; L603-L904 HydrophobicContact CG-CD1 4.01Å |
| 604 | F | 89.2 | Confident | 88.4 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 43% | 0.425 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 114.7 | -178.2 | -173.5 | -102.4 | 0 | 0 | 0 | 110.6 | I599 P600 A606 D717 | I599-F604 HydrophobicContact CG2-CB 4.1Å; I599-F604 HydrophobicContact CG2-CD2 4.25Å; P600-F604 PolarHBondContact O-N 3.16Å; F604-A606 PolarHBondContact O-N 3.5Å; F604-D717 CarbonylContact C-O 3.6Å; F604-D717 WeakPolarHBondContact CA-O 3.44Å; F604-D717 HydrophobicContact CD2-CB 4.04Å; F604-D717 HydrophobicContact CE2-CB 3.82Å |
| 605 | H | 87 | Confident | 88.9 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 29.6 | -173.3 | -60.8 | -35 | 0 | 0 | 0 | 115.2 | L603 L607 A716 D717 S719 | L603-H605 PolarHBondContact O-N 3.04Å; H605-L607 PolarHBondContact O-N 3.4Å; H605-A716 PolarHBondContact ND1-O 3.33Å; H605-D717 PolarHBondContact N-O 2.98Å; H605-S719 VanDerWaalsContact CA-OG 3.32Å; H605-S719 WeakPolarHBondContact CA-OG 3.33Å |
| 606 | A | 88.2 | Confident | 89.3 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | trans | -77.2 | 40.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V602 F604 S651 E652 S719 | V602-A606 WeakPolarHBondContact O-CB 3.18Å; F604-A606 PolarHBondContact O-N 3.5Å; A606-S651 VanDerWaalsContact CA-OG 3.28Å; A606-S651 WeakPolarHBondContact CA-OG 3.22Å; A606-S651 PolarHBondContact O-N 3.47Å; A606-S651 PolarHBondContact O-OG 2.85Å; A606-E652 HydrophobicContact CB-CB 4.41Å; A606-S719 CarbonylContact C-O 3.5Å; A606-S719 VanDerWaalsContact C-O 3.28Å | ||
| 607 | L | 89.9 | Confident | 89.8 | Confident | 35 Ų | 35 | 50 Ų | 50 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -81.6 | 126.6 | -168.8 | -166.3 | 73.2 | 0 | 0 | 0 | 112.3 | H605 E609 F691 P713 R714 S719 L721 | H605-L607 PolarHBondContact O-N 3.4Å; L607-E609 PolarHBondContact O-N 2.98Å; L607-E609 VanDerWaalsContact O-N 3.16Å; L607-F691 HydrophobicContact CD1-CE1 4.06Å; L607-F691 HydrophobicContact CD1-CZ 4.49Å; L607-F691 HydrophobicContact CD2-CZ 4.41Å; L607-P713 HydrophobicContact CD1-CB 4.18Å; L607-P713 WeakPolarHBondContact CD2-O 3.43Å; L607-R714 HydrophobicContact CD2-CG 4.19Å; L607-S719 WeakPolarHBondContact CA-O 3.31Å; L607-S719 WeakPolarHBondContact CB-O 3.33Å; L607-S719 VanDerWaalsContact CD1-O 3.28Å; L607-S719 WeakPolarHBondContact CD1-O 3.27Å; L607-S719 PolarHBondContact N-O 2.88Å; L607-S719 VanDerWaalsContact N-O 3.16Å; L607-L721 HydrophobicContact CD1-CD2 4.49Å; L607-L721 HydrophobicContact CD1-CG 4.4Å |
| 608 | P | 88.8 | Confident | 90 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -55.3 | 118.6 | 172 | -28 | 37.3 | 0 | 0 | 0 | 112.4 | L649 L687 L721 | P608-L649 HydrophobicContact CB-CD2 4.25Å; P608-L649 HydrophobicContact CB-CG 4.42Å; P608-L649 HydrophobicContact CG-CB 4.46Å; P608-L649 HydrophobicContact CG-CD2 3.96Å; P608-L649 HydrophobicContact CG-CG 3.78Å; P608-L687 HydrophobicContact CB-CD1 4.17Å; P608-L687 WeakPolarHBondContact O-CD2 3.29Å; P608-L721 HydrophobicContact CG-CD1 4.16Å |
| 609 | E | 88.2 | Confident | 90.2 | Very high | 104 Ų | 104 | 45.6 Ų | 45.6 | 49% | 0.486 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -81.1 | 144.2 | 173.4 | -86 | -173.5 | -103 | 0 | 0 | 111.4 | L607 D611 K612 | L607-E609 PolarHBondContact O-N 2.98Å; L607-E609 VanDerWaalsContact O-N 3.16Å; E609-D611 PolarHBondContact O-N 3.22Å; E609-K612 HydrophobicContact CB-CB 4.12Å; E609-K612 HydrophobicContact CB-CD 3.83Å; E609-K612 HydrophobicContact CB-CG 4.02Å; E609-K612 HydrophobicContact CG-CD 4.43Å; E609-K612 PolarHBondContact O-N 2.88Å; E609-K612 IonicContact OE1-NZ 2.74Å; E609-K612 PolarHBondContact OE1-NZ 3.11Å; E609-K612 WeakPolarHBondContact OE2-CE 3.45Å; E609-K612 IonicContact OE2-NZ 3.15Å; E609-K612 PolarHBondContact OE2-NZ 2.83Å |
| 610 | P | 88.1 | Confident | 90.2 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 137.1 | 178.1 | 27.1 | -34.7 | 0 | 0 | 0 | 111.3 | K612 V682 | P610-K612 PolarHBondContact O-N 3.45Å; P610-K612 VanDerWaalsContact O-N 3.09Å; P610-V682 CarbonylContact C-O 3.58Å; P610-V682 WeakPolarHBondContact CA-O 3.32Å |
| 611 | D | 88.7 | Confident | 89.9 | Confident | 112 Ų | 112 | 46.8 Ų | 46.8 | 60% | 0.599 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 11.8 | 178.4 | -51.6 | -59.1 | 0 | 0 | 0 | 115 | E609 V682 N683 | E609-D611 PolarHBondContact O-N 3.22Å; D611-V682 PolarHBondContact N-O 3.08Å; D611-N683 WeakPolarHBondContact OD1-CA 3.46Å; D611-N683 WeakPolarHBondContact OD1-CB 3.47Å |
| 612 | K | 89.5 | Confident | 89.6 | Confident | 100 Ų | 100 | 43.1 Ų | 43.1 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -98.9 | 148.3 | 168.8 | -68.1 | -164.1 | -172.3 | 170 | 0 | 112.2 | E609 P610 S614 | E609-K612 HydrophobicContact CB-CB 4.12Å; E609-K612 HydrophobicContact CB-CD 3.83Å; E609-K612 HydrophobicContact CB-CG 4.02Å; E609-K612 HydrophobicContact CG-CD 4.43Å; E609-K612 PolarHBondContact O-N 2.88Å; E609-K612 IonicContact OE1-NZ 2.74Å; E609-K612 PolarHBondContact OE1-NZ 3.11Å; E609-K612 WeakPolarHBondContact OE2-CE 3.45Å; E609-K612 IonicContact OE2-NZ 3.15Å; E609-K612 PolarHBondContact OE2-NZ 2.83Å; P610-K612 PolarHBondContact O-N 3.45Å; P610-K612 VanDerWaalsContact O-N 3.09Å; K612-S614 PolarHBondContact O-N 3.08Å |
| 613 | P | 90.9 | Very high | 88.5 | Confident | 80 Ų | 80 | 48.4 Ų | 48.4 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 129.5 | 174.2 | 28.3 | -34 | 0 | 0 | 0 | 110.7 | K678 T681 | P613-K678 WeakPolarHBondContact CB-O 3.49Å; P613-T681 HydrophobicContact CB-CG2 4.4Å |
| 614 | S | 91.6 | Very high | 87 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 154.3 | -178.8 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | K612 K678 V680 | K612-S614 PolarHBondContact O-N 3.08Å; S614-K678 CarbonylContact O-C 3.58Å; S614-V680 PolarHBondContact N-O 3.33Å |
| 615 | F | 92.8 | Very high | 84.8 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.5 | 178.1 | -59.7 | -105.7 | 0 | 0 | 0 | 110.2 | Y617 T650 S651 F675 K678 | F615-Y617 HydrophobicContact CB-CD2 4.46Å; F615-Y617 HydrophobicContact CB-CE2 3.7Å; F615-T650 HydrophobicContact CB-CG2 4.29Å; F615-T650 PolarHBondContact N-O 3.14Å; F615-T650 PolarHBondContact O-N 2.72Å; F615-S651 WeakPolarHBondContact CD2-O 3.4Å; F615-S651 VanDerWaalsContact CE2-O 3.32Å; F615-S651 WeakPolarHBondContact CE2-O 3.29Å; F615-F675 HydrophobicContact CB-CE2 4.49Å; F615-F675 AromaticContact CD1-CE2 3.94Å; F615-F675 HydrophobicContact CD1-CE2 3.94Å; F615-K678 HydrophobicContact CD1-CB 4.2Å; F615-K678 HydrophobicContact CD1-CD 4.14Å; F615-K678 HydrophobicContact CD1-CG 3.99Å; F615-K678 HydrophobicContact CE1-CB 4.41Å; F615-K678 HydrophobicContact CE1-CD 3.52Å; F615-K678 HydrophobicContact CE1-CG 3.87Å; F615-K678 HydrophobicContact CE2-CD 4.49Å; F615-K678 HydrophobicContact CG-CG 4.4Å; F615-K678 HydrophobicContact CZ-CD 3.74Å; F615-K678 HydrophobicContact CZ-CG 4.17Å |
| 616 | L | 92.8 | Very high | 82.7 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.7 | 176.5 | -178.5 | 65.7 | 0 | 0 | 0 | 110.8 | L649 I676 D677 V680 V723 L725 L735 | L616-L649 HydrophobicContact CB-CD1 4.32Å; L616-L649 HydrophobicContact CD1-CB 4.49Å; L616-L649 HydrophobicContact CD1-CD1 4.19Å; L616-I676 HydrophobicContact CD2-CG2 4.48Å; L616-I676 HydrophobicContact CG-CB 4.48Å; L616-I676 WeakPolarHBondContact O-CB 3.5Å; L616-I676 PolarHBondContact O-N 2.96Å; L616-D677 PolarHBondContact N-O 3.09Å; L616-D677 PolarHBondContact O-N 3.33Å; L616-V680 HydrophobicContact CB-CG2 3.89Å; L616-V680 HydrophobicContact CD2-CG2 4.05Å; L616-V723 HydrophobicContact CD1-CG2 3.94Å; L616-L725 HydrophobicContact CD1-CD2 4.16Å; L616-L725 HydrophobicContact CD2-CD2 3.93Å; L616-L725 HydrophobicContact CG-CD2 4.5Å; L616-L735 HydrophobicContact CD1-CD2 4.5Å |
| 617 | Y | 93.3 | Very high | 79.9 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 5% | 0.051 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.7 | 174.3 | -61.7 | -101.1 | 0 | 0 | 0 | 109.8 | F615 G647 I648 T650 S653 L654 I673 R674 F675 | F615-Y617 HydrophobicContact CB-CD2 4.46Å; F615-Y617 HydrophobicContact CB-CE2 3.7Å; Y617-G647 CarbonylContact O-C 3.56Å; Y617-G647 WeakPolarHBondContact O-CA 3.31Å; Y617-I648 PolarHBondContact N-O 3.37Å; Y617-I648 PolarHBondContact O-N 3.28Å; Y617-T650 HydrophobicContact CD2-CG2 4.05Å; Y617-T650 HydrophobicContact CE2-CG2 3.86Å; Y617-S653 PolarHBondContact OH-OG 3.29Å; Y617-L654 HydrophobicContact CD1-CD1 4.22Å; Y617-L654 HydrophobicContact CD2-CD1 3.95Å; Y617-L654 HydrophobicContact CD2-CG 4.29Å; Y617-L654 HydrophobicContact CE1-CB 3.92Å; Y617-L654 HydrophobicContact CE1-CD1 4.25Å; Y617-L654 HydrophobicContact CE1-CG 4.32Å; Y617-L654 HydrophobicContact CE2-CB 4.17Å; Y617-L654 HydrophobicContact CE2-CD1 3.98Å; Y617-L654 HydrophobicContact CE2-CG 3.81Å; Y617-L654 HydrophobicContact CG-CD1 4.09Å; Y617-L654 PolarHBondContact OH-N 2.88Å; Y617-L654 PolarHBondContact OH-O 3.33Å; Y617-I673 HydrophobicContact CD1-CG2 4.06Å; Y617-I673 HydrophobicContact CG-CG2 4.31Å; Y617-R674 CarbonylContact C-O 3.43Å; Y617-R674 WeakPolarHBondContact CA-O 3.31Å; Y617-F675 HydrophobicContact CD1-CB 3.9Å; Y617-F675 HydrophobicContact CD1-CD2 4.26Å; Y617-F675 HydrophobicContact CE1-CB 3.69Å; Y617-F675 AromaticContact CE1-CD2 3.81Å; Y617-F675 HydrophobicContact CE1-CD2 3.81Å; Y617-F675 HydrophobicContact CE1-CG 4.19Å; Y617-F675 HydrophobicContact CE2-CD2 4.29Å; Y617-F675 AromaticContact CZ-CD2 3.8Å |
| 618 | A | 91.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 140 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V620 R674 I676 L725 Y733 | A618-V620 HydrophobicContact CB-CG2 4.33Å; A618-R674 PolarHBondContact N-O 3.28Å; A618-R674 PolarHBondContact O-N 2.86Å; A618-I676 HydrophobicContact CB-CD1 3.79Å; A618-I676 HydrophobicContact CB-CG1 3.76Å; A618-L725 HydrophobicContact CB-CD1 3.76Å; A618-Y733 HydrophobicContact CB-CD1 4.5Å; A618-Y733 HydrophobicContact CB-CD2 4.18Å; A618-Y733 HydrophobicContact CB-CE2 4.37Å; A618-Y733 HydrophobicContact CB-CG 4.24Å |
| 619 | I | 92.5 | Very high | 74.3 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 114.7 | 169.3 | -53 | -179.3 | 0 | 0 | 0 | 106.8 | F621 T645 L646 I648 V671 I673 L893 I896 | I619-F621 HydrophobicContact CB-CE2 4.33Å; I619-F621 HydrophobicContact CG2-CD2 4.31Å; I619-F621 HydrophobicContact CG2-CE2 3.59Å; I619-F621 HydrophobicContact CG2-CZ 3.78Å; I619-T645 PolarHBondContact O-OG1 2.69Å; I619-L646 WeakPolarHBondContact CB-O 3.02Å; I619-L646 HydrophobicContact CD1-CB 3.94Å; I619-L646 HydrophobicContact CG1-CB 4.46Å; I619-L646 PolarHBondContact N-O 3.27Å; I619-I648 HydrophobicContact CD1-CD1 4.49Å; I619-I648 HydrophobicContact CD1-CG1 4.33Å; I619-I648 HydrophobicContact CG1-CG1 4.45Å; I619-V671 HydrophobicContact CG2-CG1 3.83Å; I619-I673 HydrophobicContact CB-CD1 4.49Å; I619-I673 HydrophobicContact CG1-CD1 3.95Å; I619-I673 HydrophobicContact CG2-CD1 4.36Å; I619-L893 HydrophobicContact CD1-CD1 4.07Å; I619-I896 HydrophobicContact CD1-CG2 4.31Å; I619-I896 HydrophobicContact CG2-CD1 4.08Å; I619-I896 HydrophobicContact CG2-CG2 4.46Å |
| 620 | V | 89.5 | Confident | 71.4 | Confident | 16 Ų | 16 | 79 Ų | 79 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.8 | -176.5 | -177 | 0 | 0 | 0 | 0 | 109.4 | A618 E672 R674 | A618-V620 HydrophobicContact CB-CG2 4.33Å; V620-E672 HydrophobicContact CB-CB 4.3Å; V620-E672 PolarHBondContact N-O 3.38Å; V620-E672 PolarHBondContact O-N 3.22Å; V620-R674 HydrophobicContact CG2-CB 4.12Å |
| 621 | F | 86.2 | Confident | 68.4 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 23% | 0.232 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.6 | 178.5 | -62.2 | -97.8 | 0 | 0 | 0 | 110 | I619 T669 V671 L889 C892 I896 | I619-F621 HydrophobicContact CB-CE2 4.33Å; I619-F621 HydrophobicContact CG2-CD2 4.31Å; I619-F621 HydrophobicContact CG2-CE2 3.59Å; I619-F621 HydrophobicContact CG2-CZ 3.78Å; F621-T669 HydrophobicContact CB-CG2 4.22Å; F621-T669 HydrophobicContact CD1-CG2 4.03Å; F621-V671 HydrophobicContact CD1-CG2 4.06Å; F621-V671 HydrophobicContact CE1-CG2 4.07Å; F621-L889 HydrophobicContact CD1-CD2 4.46Å; F621-L889 HydrophobicContact CD2-CD2 3.95Å; F621-L889 HydrophobicContact CE1-CD2 4.28Å; F621-L889 HydrophobicContact CE2-CB 4.34Å; F621-L889 HydrophobicContact CE2-CD1 4.14Å; F621-L889 HydrophobicContact CE2-CD2 3.77Å; F621-L889 HydrophobicContact CE2-CG 4.29Å; F621-L889 HydrophobicContact CG-CD2 4.3Å; F621-L889 HydrophobicContact CZ-CB 4.29Å; F621-L889 HydrophobicContact CZ-CD2 3.93Å; F621-C892 HydrophobicContact CE1-CB 4.38Å; F621-I896 HydrophobicContact CE1-CD1 3.79Å; F621-I896 HydrophobicContact CZ-CD1 3.57Å |
| 622 | H | 81.6 | Confident | 65.5 | Low | 71 Ų | 71 | 79.4 Ų | 79.4 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.5 | 174.4 | -57.8 | -100.1 | 0 | 0 | 0 | 108.8 | I624 M670 E672 | H622-I624 PolarHBondContact O-N 3.32Å; H622-M670 HydrophobicContact CB-CB 4.28Å; H622-M670 HydrophobicContact CB-CE 4.49Å; H622-M670 PolarHBondContact N-O 3.38Å; H622-M670 PolarHBondContact O-N 2.96Å; H622-E672 IonicContact CD2-OE2 3.53Å; H622-E672 IonicContact CE1-OE2 2.7Å; H622-E672 IonicContact NE2-OE2 3.47Å; H622-E672 PolarHBondContact NE2-OE2 2.8Å |
| 623 | K | 67 | Low | 62.4 | Low | 149 Ų | 149 | 84.1 Ų | 84.1 | 65% | 0.648 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 117.9 | 178.9 | -168 | 176 | -176 | -179.2 | 0 | 109.6 | ||
| 624 | I | 59 | Low | 59.6 | Low | 61 Ų | 61 | 84.2 Ų | 84.2 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 130.1 | 175.1 | -52.9 | 178.7 | 0 | 0 | 0 | 107.5 | H622 S626 A668 M670 V935 | H622-I624 PolarHBondContact O-N 3.32Å; I624-S626 PolarHBondContact O-N 2.97Å; I624-A668 HydrophobicContact CD1-CB 4.32Å; I624-M670 HydrophobicContact CD1-CB 4.14Å; I624-M670 HydrophobicContact CG1-CB 4.1Å; I624-V935 HydrophobicContact CD1-CG2 3.69Å |
| 625 | R | 44.4 | Very low | 56.6 | Low | 245 Ų | 245 | 89.3 Ų | 89.3 | 93% | 0.925 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 119.7 | 174.5 | -79.6 | -177.1 | 170.9 | 165.9 | -3.5 | 109.3 | ||
| 626 | S | 41.2 | Very low | 53.8 | Low | 96 Ų | 96 | 94 Ų | 94 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | trans | -115.6 | 108.7 | 175.5 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | I624 T628 | I624-S626 PolarHBondContact O-N 2.97Å; S626-T628 PolarHBondContact O-N 3.2Å; S626-T628 VanDerWaalsContact O-N 3.11Å | ||
| 627 | D | 31.2 | Very low | 50.7 | Low | 165 Ų | 165 | 101.2 Ų | 101.2 | 88% | 0.882 | 55% | 0.553 | S | S | * | * | trans | -77.3 | 89.2 | 170.3 | -70.8 | -45.4 | 0 | 0 | 0 | 109.8 | ||||
| 628 | T | 32.2 | Very low | 47.7 | Very low | 134 Ų | 134 | 102.7 Ų | 102.7 | 82% | 0.822 | 57% | 0.572 | S | S | * | * | trans | -162.1 | 139.9 | 160.8 | -5.8 | 0 | 0 | 0 | 0 | 111 | S626 | S626-T628 PolarHBondContact O-N 3.2Å; S626-T628 VanDerWaalsContact O-N 3.11Å | ||
| 629 | S | 28.1 | Very low | 44.6 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 75% | 0.748 | 62% | 0.615 | S | S | * | * | trans | -96.6 | 137.2 | -179.2 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 630 | I | 26.9 | Very low | 41.8 | Very low | 171 Ų | 171 | 118.7 Ų | 118.7 | 88% | 0.877 | 66% | 0.657 | S | S | * | * | trans | 171.7 | 135.9 | 134.1 | -88.5 | 153.3 | 0 | 0 | 0 | 109 | ||||
| 631 | G | 25.6 | Very low | 39.6 | Very low | 73 Ų | 73 | 121.2 Ų | 121.2 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 94.7 | -1.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 632 | C | 28.1 | Very low | 37.9 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | trans | -154.7 | 107.8 | 167.9 | -122.7 | 0 | 0 | 0 | 0 | 115.5 | T634 | C632-T634 PolarHBondContact O-N 3.37Š| ||
| 633 | Q | 24.1 | Very low | 37.2 | Very low | 200 Ų | 200 | 126.3 Ų | 126.3 | 94% | 0.935 | 70% | 0.698 | S | S | * | * | trans | -83.3 | 95.5 | 164.1 | -73.8 | -178.2 | -15.5 | 0 | 0 | 109.8 | ||||
| 634 | T | 31.5 | Very low | 37.8 | Very low | 82 Ų | 82 | 120.7 Ų | 120.7 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | trans | -124.2 | 88.2 | 158.9 | 42.3 | 0 | 0 | 0 | 0 | 108.1 | C632 F636 I790 | C632-T634 PolarHBondContact O-N 3.37Å; T634-F636 PolarHBondContact O-N 2.93Å; T634-I790 HydrophobicContact CG2-CG2 3.98Å | ||
| 635 | S | 28.5 | Very low | 39.2 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | trans | -76 | 88.3 | -172.6 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | D637 | S635-D637 PolarHBondContact O-N 3.49Å; S635-D637 VanDerWaalsContact O-N 3.12Å | ||
| 636 | F | 34.8 | Very low | 41.4 | Very low | 121 Ų | 121 | 106.7 Ų | 106.7 | 53% | 0.531 | 62% | 0.619 | S | S | . | * | trans | -74 | 16.8 | 171.1 | -101.5 | -78 | 0 | 0 | 0 | 114.6 | T634 G638 | T634-F636 PolarHBondContact O-N 2.93Å; F636-G638 PolarHBondContact O-N 3.49Å | ||
| 637 | D | 27.3 | Very low | 43.8 | Very low | 155 Ų | 155 | 102.1 Ų | 102.1 | 83% | 0.829 | 59% | 0.587 | S | S | * | * | trans | -97.5 | 63.5 | 171.7 | -75 | -59.5 | 0 | 0 | 0 | 110.5 | S635 | S635-D637 PolarHBondContact O-N 3.49Å; S635-D637 VanDerWaalsContact O-N 3.12Å | ||
| 638 | G | 30 | Very low | 46.8 | Very low | 44 Ų | 44 | 94.3 Ų | 94.3 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | trans | -121.6 | 121.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F636 N640 | F636-G638 PolarHBondContact O-N 3.49Å; G638-N640 PolarHBondContact O-N 3.35Å | ||
| 639 | L | 27.5 | Very low | 49.7 | Very low | 171 Ų | 171 | 88 Ų | 88 | 90% | 0.895 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 87.9 | 176.1 | -77.5 | 72.5 | 0 | 0 | 0 | 110.4 | ||
| 640 | N | 32.4 | Very low | 52.8 | Low | 165 Ų | 165 | 82.9 Ų | 82.9 | 88% | 0.882 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 173.7 | 3.7 | 151.6 | -92.1 | -22.9 | 0 | 0 | 0 | 115.2 | G638 R642 | G638-N640 PolarHBondContact O-N 3.35Å; N640-R642 PolarHBondContact O-N 3.01Å |
| 641 | V | 44 | Very low | 55.9 | Low | 69 Ų | 69 | 76.5 Ų | 76.5 | 42% | 0.418 | 44% | 0.441 | S | S | . | . | trans | -57.4 | 132.9 | -179.5 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | S643 | V641-S643 PolarHBondContact O-N 3.29Š| ||
| 642 | R | 50.5 | Low | 59 | Low | 158 Ų | 158 | 78 Ų | 78 | 60% | 0.596 | 43% | 0.429 | S | S | * | . | trans | -55.8 | 130.2 | 179.6 | -77.7 | -179.4 | 171.9 | 175.9 | -4.6 | 110.4 | N640 Q644 | N640-R642 PolarHBondContact O-N 3.01Å; R642-Q644 HydrophobicContact CB-CG 4.37Å; R642-Q644 PolarHBondContact O-N 2.87Å | ||
| 643 | S | 68.2 | Low | 61.9 | Low | 72 Ų | 72 | 75.6 Ų | 75.6 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -77.6 | 47.6 | -179 | -47.4 | 0 | 0 | 0 | 0 | 113.2 | V641 K727 | V641-S643 PolarHBondContact O-N 3.29Å; S643-K727 WeakPolarHBondContact O-CB 3.27Å; S643-K727 PolarHBondContact O-N 2.76Å | ||
| 644 | Q | 78.2 | Confident | 65 | Low | 31 Ų | 31 | 66.7 Ų | 66.7 | 15% | 0.145 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 147.4 | 177.6 | -72.3 | 169.3 | -47.1 | 0 | 0 | 110.7 | R642 L725 D736 | R642-Q644 HydrophobicContact CB-CG 4.37Å; R642-Q644 PolarHBondContact O-N 2.87Å; Q644-L725 CarbonylContact C-O 3.28Å; Q644-L725 VanDerWaalsContact CA-O 3.28Å; Q644-L725 WeakPolarHBondContact CA-O 3.4Å; Q644-D736 PolarHBondContact NE2-OD2 3.47Å |
| 645 | T | 87.9 | Confident | 67.7 | Low | 13 Ų | 13 | 64.9 Ų | 64.9 | 8% | 0.08 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | -178.4 | 171.4 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | I619 L725 Y733 | I619-T645 PolarHBondContact O-OG1 2.69Å; T645-L725 HydrophobicContact CG2-CB 4.03Å; T645-L725 PolarHBondContact N-O 2.71Å; T645-L725 PolarHBondContact O-N 3.42Å; T645-Y733 HydrophobicContact CG2-CD1 3.83Å; T645-Y733 HydrophobicContact CG2-CE1 3.52Å |
| 646 | L | 91.3 | Very high | 70.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 153.1 | 173.8 | -68.6 | 162.3 | 0 | 0 | 0 | 111.3 | I619 M697 V722 V723 M886 L889 L890 L893 | I619-L646 WeakPolarHBondContact CB-O 3.02Å; I619-L646 HydrophobicContact CD1-CB 3.94Å; I619-L646 HydrophobicContact CG1-CB 4.46Å; I619-L646 PolarHBondContact N-O 3.27Å; L646-M697 HydrophobicContact CD2-SD 4.45Å; L646-V722 HydrophobicContact CD2-CG1 4.04Å; L646-V723 CarbonylContact C-O 3.56Å; L646-M886 HydrophobicContact CD2-CE 3.51Å; L646-M886 HydrophobicContact CG-CE 3.8Å; L646-M886 HydrophobicContact CG-SD 4.48Å; L646-L889 HydrophobicContact CD1-CB 3.86Å; L646-L890 HydrophobicContact CD1-CD2 3.9Å; L646-L890 HydrophobicContact CD1-CG 4.46Å; L646-L890 HydrophobicContact CD2-CD2 3.84Å; L646-L890 HydrophobicContact CG-CD2 4.47Å; L646-L893 HydrophobicContact CD1-CD1 4.42Å |
| 647 | G | 92.1 | Very high | 73.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 166.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y617 V722 V723 | Y617-G647 CarbonylContact O-C 3.56Å; Y617-G647 WeakPolarHBondContact O-CA 3.31Å; G647-V722 WeakPolarHBondContact O-CA 3.22Å; G647-V723 PolarHBondContact N-O 2.85Å; G647-V723 PolarHBondContact O-N 3.02Å |
| 648 | I | 93.9 | Very high | 76.2 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.9 | 179 | -59.4 | 174.7 | 0 | 0 | 0 | 107.9 | Y617 I619 T650 I673 F720 L897 L900 | Y617-I648 PolarHBondContact N-O 3.37Å; Y617-I648 PolarHBondContact O-N 3.28Å; I619-I648 HydrophobicContact CD1-CD1 4.49Å; I619-I648 HydrophobicContact CD1-CG1 4.33Å; I619-I648 HydrophobicContact CG1-CG1 4.45Å; I648-T650 HydrophobicContact CG2-CG2 4.42Å; I648-I673 HydrophobicContact CD1-CD1 4.37Å; I648-F720 HydrophobicContact CG2-CD2 3.78Å; I648-F720 HydrophobicContact CG2-CE2 4.27Å; I648-L897 HydrophobicContact CD1-CD2 3.96Å; I648-L900 HydrophobicContact CD1-CD2 3.6Å |
| 649 | L | 93.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.6 | 177 | -173.2 | 73.6 | 0 | 0 | 0 | 109.1 | P608 L616 V680 V682 I690 L721 V723 | P608-L649 HydrophobicContact CB-CD2 4.25Å; P608-L649 HydrophobicContact CB-CG 4.42Å; P608-L649 HydrophobicContact CG-CB 4.46Å; P608-L649 HydrophobicContact CG-CD2 3.96Å; P608-L649 HydrophobicContact CG-CG 3.78Å; L616-L649 HydrophobicContact CB-CD1 4.32Å; L616-L649 HydrophobicContact CD1-CB 4.49Å; L616-L649 HydrophobicContact CD1-CD1 4.19Å; L649-V680 HydrophobicContact CD1-CG1 4.11Å; L649-V682 HydrophobicContact CD2-CG2 4.05Å; L649-I690 HydrophobicContact CD2-CD1 4.23Å; L649-L721 HydrophobicContact CB-CB 4.5Å; L649-L721 PolarHBondContact N-O 3.08Å; L649-L721 PolarHBondContact O-N 3.43Å; L649-V723 HydrophobicContact CB-CG1 4.32Å; L649-V723 HydrophobicContact CB-CG2 4.27Å |
| 650 | T | 93.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.9 | -171.2 | 160.4 | 0 | 0 | 0 | 0 | 110.6 | F615 Y617 I648 E652 L654 | F615-T650 HydrophobicContact CB-CG2 4.29Å; F615-T650 PolarHBondContact N-O 3.14Å; F615-T650 PolarHBondContact O-N 2.72Å; Y617-T650 HydrophobicContact CD2-CG2 4.05Å; Y617-T650 HydrophobicContact CE2-CG2 3.86Å; I648-T650 HydrophobicContact CG2-CG2 4.42Å; T650-E652 VanDerWaalsContact C-N 3.29Å; T650-E652 VanDerWaalsContact CG2-O 3.24Å; T650-E652 WeakPolarHBondContact CG2-O 3.37Å; T650-E652 PolarHBondContact OG1-N 3.39Å; T650-E652 PolarHBondContact OG1-O 3.27Å; T650-L654 HydrophobicContact CG2-CG 4.4Å |
| 651 | S | 91.3 | Very high | 85 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -71.7 | -25.6 | 171.8 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | A606 F615 | A606-S651 VanDerWaalsContact CA-OG 3.28Å; A606-S651 WeakPolarHBondContact CA-OG 3.22Å; A606-S651 PolarHBondContact O-N 3.47Å; A606-S651 PolarHBondContact O-OG 2.85Å; F615-S651 WeakPolarHBondContact CD2-O 3.4Å; F615-S651 VanDerWaalsContact CE2-O 3.32Å; F615-S651 WeakPolarHBondContact CE2-O 3.29Å |
| 652 | E | 89.5 | Confident | 87.1 | Confident | 105 Ų | 105 | 33.5 Ų | 33.5 | 49% | 0.491 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -107.3 | 153.2 | -176.4 | -74.6 | -59.8 | 155 | 0 | 0 | 113 | A606 T650 | A606-E652 HydrophobicContact CB-CB 4.41Å; T650-E652 VanDerWaalsContact C-N 3.29Å; T650-E652 VanDerWaalsContact CG2-O 3.24Å; T650-E652 WeakPolarHBondContact CG2-O 3.37Å; T650-E652 PolarHBondContact OG1-N 3.39Å; T650-E652 PolarHBondContact OG1-O 3.27Å |
| 653 | S | 89.4 | Confident | 88.9 | Confident | 54 Ų | 54 | 27.3 Ų | 27.3 | 38% | 0.378 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -80 | 121.1 | 179 | -168.3 | 0 | 0 | 0 | 0 | 111 | Y617 | Y617-S653 PolarHBondContact OH-OG 3.29Š|
| 654 | L | 89.5 | Confident | 89.5 | Confident | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 135.8 | 167.5 | -54.7 | -179.3 | 0 | 0 | 0 | 110.1 | V602 L603 Y617 T650 I673 L904 | V602-L654 HydrophobicContact CG2-CD2 4.44Å; L603-L654 HydrophobicContact CD2-CD2 3.65Å; Y617-L654 HydrophobicContact CD1-CD1 4.22Å; Y617-L654 HydrophobicContact CD2-CD1 3.95Å; Y617-L654 HydrophobicContact CD2-CG 4.29Å; Y617-L654 HydrophobicContact CE1-CB 3.92Å; Y617-L654 HydrophobicContact CE1-CD1 4.25Å; Y617-L654 HydrophobicContact CE1-CG 4.32Å; Y617-L654 HydrophobicContact CE2-CB 4.17Å; Y617-L654 HydrophobicContact CE2-CD1 3.98Å; Y617-L654 HydrophobicContact CE2-CG 3.81Å; Y617-L654 HydrophobicContact CG-CD1 4.09Å; Y617-L654 PolarHBondContact OH-N 2.88Å; Y617-L654 PolarHBondContact OH-O 3.33Å; T650-L654 HydrophobicContact CG2-CG 4.4Å; L654-I673 HydrophobicContact CD1-CG2 4.35Å; L654-L904 HydrophobicContact CD2-CD1 4.29Å |
| 655 | P | 88 | Confident | 89.3 | Confident | 45 Ų | 45 | 28 Ų | 28 | 29% | 0.292 | 15% | 0.146 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 165.2 | 167.2 | 32.1 | -36 | 0 | 0 | 0 | 111.2 | I657 L904 | P655-I657 PolarHBondContact O-N 3.4Å; P655-L904 HydrophobicContact CG-CD2 3.49Å; P655-L904 VanDerWaalsContact CG-CD2 3.49Å |
| 656 | Q | 86.3 | Confident | 88.5 | Confident | 74 Ų | 74 | 31.1 Ų | 31.1 | 35% | 0.346 | 17% | 0.173 | S | C | . | . | trans | -76.8 | 113.7 | -177.3 | -156.7 | 154.7 | 15.7 | 0 | 0 | 109.5 | P925 A926 F928 W930 | Q656-P925 PolarHBondContact OE1-O 3.16Å; Q656-A926 PolarHBondContact NE2-O 3.17Å; Q656-A926 PolarHBondContact OE1-O 2.88Å; Q656-F928 PolarHBondContact NE2-O 3.22Å; Q656-F928 PolarHBondContact OE1-O 3.46Å; Q656-W930 PolarHBondContact O-NE1 3.35Å | ||
| 657 | I | 90.4 | Very high | 87.6 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -103.8 | 156.2 | -179.3 | 55 | 150.2 | 0 | 0 | 0 | 112 | P655 F660 I673 L900 L903 L904 | P655-I657 PolarHBondContact O-N 3.4Å; I657-F660 HydrophobicContact CD1-CD1 4.45Å; I657-F660 HydrophobicContact CD1-CE1 4.07Å; I657-I673 HydrophobicContact CD1-CB 4.45Å; I657-I673 HydrophobicContact CD1-CG1 4.12Å; I657-L900 HydrophobicContact CD1-CD1 3.58Å; I657-L900 HydrophobicContact CG1-CD1 4.47Å; I657-L903 HydrophobicContact CB-CB 4.47Å; I657-L903 HydrophobicContact CD1-CD1 4.19Å; I657-L903 HydrophobicContact CG2-CB 4.22Å; I657-L904 HydrophobicContact CG2-CD2 3.79Å; I657-L904 HydrophobicContact CG2-CG 4.32Å |
| 658 | P | 92 | Very high | 87.2 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 145.9 | 168.9 | 27.2 | -35.6 | 0 | 0 | 0 | 111.7 | L903 W930 E931 P1238 R1239 | P658-L903 HydrophobicContact CG-CD1 4.2Å; P658-L903 HydrophobicContact CG-CD2 3.75Å; P658-W930 HydrophobicContact CB-CB 3.88Å; P658-E931 WeakPolarHBondContact CB-O 3.5Å; P658-P1238 HydrophobicContact CG-CB 4.31Å; P658-R1239 HydrophobicContact CG-CB 4.2Å |
| 659 | K | 92.8 | Very high | 86.8 | Confident | 66 Ų | 66 | 35 Ų | 35 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -67.2 | 143.2 | 170.5 | -56.9 | -171.7 | -173.7 | -162.4 | 0 | 109.8 | M670 E672 P932 M933 | K659-M670 HydrophobicContact CB-CE 3.64Å; K659-M670 HydrophobicContact CB-SD 3.5Å; K659-M670 VanDerWaalsContact CB-SD 3.5Å; K659-M670 HydrophobicContact CD-CE 3.82Å; K659-M670 HydrophobicContact CG-CE 4.2Å; K659-E672 HydrophobicContact CD-CB 4.31Å; K659-E672 HydrophobicContact CD-CG 4.24Å; K659-E672 WeakPolarHBondContact CE-OE2 3.31Å; K659-E672 HydrophobicContact CG-CB 4.35Å; K659-E672 HydrophobicContact CG-CG 4.3Å; K659-E672 IonicContact NZ-OE2 3.43Å; K659-E672 PolarHBondContact NZ-OE2 3.45Å; K659-P932 HydrophobicContact CB-CB 4.2Å; K659-P932 CarbonylContact O-C 3.57Å; K659-P932 WeakPolarHBondContact O-CA 3.3Å; K659-M933 PolarHBondContact O-N 3.2Å |
| 660 | F | 92.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 146.5 | -172.6 | 60.5 | -97.1 | 0 | 0 | 0 | 115.1 | I657 M670 V671 I896 R899 L903 M933 | I657-F660 HydrophobicContact CD1-CD1 4.45Å; I657-F660 HydrophobicContact CD1-CE1 4.07Å; F660-M670 PolarHBondContact N-SD 2.94Å; F660-M670 VanDerWaalsContact N-SD 3.38Å; F660-V671 HydrophobicContact CD2-CB 4.27Å; F660-V671 HydrophobicContact CE2-CB 3.99Å; F660-V671 HydrophobicContact CE2-CG1 4.27Å; F660-V671 HydrophobicContact CE2-CG2 4.47Å; F660-V671 HydrophobicContact CZ-CB 4.31Å; F660-V671 HydrophobicContact CZ-CG1 4.16Å; F660-V671 PolarHBondContact N-O 3.2Å; F660-V671 VanDerWaalsContact N-O 3.07Å; F660-V671 PolarHBondContact O-N 3.04Å; F660-I896 HydrophobicContact CZ-CG2 4.14Å; F660-R899 HydrophobicContact CB-CG 4.26Å; F660-R899 HydrophobicContact CD1-CG 4.13Å; F660-R899 HydrophobicContact CD2-CB 4.11Å; F660-R899 HydrophobicContact CD2-CG 3.69Å; F660-R899 HydrophobicContact CE1-CG 4.37Å; F660-R899 HydrophobicContact CE2-CB 3.88Å; F660-R899 HydrophobicContact CE2-CG 3.96Å; F660-R899 HydrophobicContact CG-CG 3.77Å; F660-R899 HydrophobicContact CZ-CB 4.15Å; F660-R899 HydrophobicContact CZ-CG 4.28Å; F660-L903 HydrophobicContact CB-CD1 4.45Å; F660-L903 HydrophobicContact CD1-CD1 3.53Å; F660-L903 HydrophobicContact CE1-CD1 4.08Å; F660-L903 HydrophobicContact CG-CD1 4.26Å; F660-M933 WeakPolarHBondContact CA-O 3.35Å; F660-M933 HydrophobicContact CB-CB 4.05Å; F660-M933 HydrophobicContact CB-CG 4.36Å; F660-M933 HydrophobicContact CB-SD 4.1Å |
| 661 | C | 89.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 153 | -178.8 | -156 | 0 | 0 | 0 | 0 | 114 | M933 L938 | C661-M933 PolarHBondContact N-O 2.71Å; C661-L938 HydrophobicContact CB-CD1 3.7Å |
| 662 | L | 88.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 164 | 171.3 | -65.8 | -179.6 | 0 | 0 | 0 | 110.8 | P664 A668 T669 V671 L842 C892 I896 | L662-P664 VanDerWaalsContact O-CD 3.31Å; L662-P664 WeakPolarHBondContact O-CD 3.36Å; L662-A668 WeakPolarHBondContact O-CA 3.16Å; L662-T669 PolarHBondContact N-O 3.41Å; L662-T669 PolarHBondContact O-N 3.24Å; L662-V671 HydrophobicContact CD1-CG2 3.81Å; L662-V671 HydrophobicContact CG-CG2 4.19Å; L662-L842 HydrophobicContact CD2-CD2 3.71Å; L662-C892 HydrophobicContact CD1-CB 4.47Å; L662-I896 HydrophobicContact CD1-CD1 4.31Å; L662-I896 HydrophobicContact CD1-CG1 3.49Å; L662-I896 VanDerWaalsContact CD1-CG1 3.49Å |
| 663 | F | 87.1 | Confident | 86.7 | Confident | 29 Ų | 29 | 31.4 Ų | 31.4 | 13% | 0.127 | 19% | 0.187 | C | C | . | . | trans | -122.6 | 64.6 | -176.3 | -55.1 | -83.6 | 0 | 0 | 0 | 113.9 | A668 L841 L842 L843 P844 L938 V1253 | F663-A668 HydrophobicContact CD1-CB 4.11Å; F663-A668 HydrophobicContact CE1-CB 4.06Å; F663-L841 PolarHBondContact N-O 3.31Å; F663-L842 WeakPolarHBondContact CD2-O 3.49Å; F663-L842 WeakPolarHBondContact CE2-O 3.35Å; F663-L843 WeakPolarHBondContact CB-O 3.29Å; F663-P844 HydrophobicContact CD1-CG 4.38Å; F663-P844 HydrophobicContact CD2-CG 4.4Å; F663-P844 HydrophobicContact CE1-CG 4.21Å; F663-P844 HydrophobicContact CE2-CG 4.23Å; F663-P844 HydrophobicContact CG-CG 4.47Å; F663-P844 HydrophobicContact CZ-CG 4.13Å; F663-L938 HydrophobicContact CE2-CD1 4.4Å; F663-L938 HydrophobicContact CZ-CD1 4.16Å; F663-V1253 HydrophobicContact CE2-CG2 4.43Å | ||
| 664 | P | 82.3 | Confident | 86.7 | Confident | 20 Ų | 20 | 33.2 Ų | 33.2 | 13% | 0.13 | 19% | 0.185 | C | C | . | . | trans | -67.6 | 174.6 | 173.1 | 30.7 | -37.3 | 0 | 0 | 0 | 113.6 | L662 A666 G667 L841 | L662-P664 VanDerWaalsContact O-CD 3.31Å; L662-P664 WeakPolarHBondContact O-CD 3.36Å; P664-A666 PolarHBondContact O-N 2.84Å; P664-G667 VanDerWaalsContact CD-O 3.31Å; P664-G667 WeakPolarHBondContact CD-O 3.34Å; P664-G667 WeakPolarHBondContact CG-O 3.37Å; P664-G667 PolarHBondContact O-N 3.16Å; P664-L841 HydrophobicContact CB-CD1 4.16Å | ||
| 665 | K | 74.1 | Confident | 86.7 | Confident | 98 Ų | 98 | 37.5 Ų | 37.5 | 43% | 0.426 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -30 | 175.3 | -104.7 | -178.3 | 172.3 | 175.7 | 0 | 113.4 | D833 T836 | K665-D833 IonicContact NZ-OD1 2.59Å; K665-D833 PolarHBondContact NZ-OD1 2.75Å; K665-D833 IonicContact NZ-OD2 2.78Å; K665-D833 PolarHBondContact NZ-OD2 2.83Å; K665-T836 HydrophobicContact CD-CG2 3.81Å; K665-T836 HydrophobicContact CG-CG2 4.39Å |
| 666 | A | 70.8 | Confident | 86.6 | Confident | 78 Ų | 78 | 37.6 Ų | 37.6 | 65% | 0.645 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P664 | P664-A666 PolarHBondContact O-N 2.84Š|
| 667 | G | 72.9 | Confident | 86.4 | Confident | 33 Ų | 33 | 36.8 Ų | 36.8 | 34% | 0.34 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 97.2 | 179.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | P664 T669 | P664-G667 VanDerWaalsContact CD-O 3.31Å; P664-G667 WeakPolarHBondContact CD-O 3.34Å; P664-G667 WeakPolarHBondContact CG-O 3.37Å; P664-G667 PolarHBondContact O-N 3.16Å; G667-T669 PolarHBondContact O-N 3.31Å; G667-T669 VanDerWaalsContact O-N 3.17Å; G667-T669 PolarHBondContact O-OG1 2.95Å |
| 668 | A | 82.3 | Confident | 85.9 | Confident | 31 Ų | 31 | 41 Ų | 41 | 26% | 0.256 | 22% | 0.216 | S | C | . | . | trans | -57.6 | 118.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.4 | I624 L662 F663 V935 | I624-A668 HydrophobicContact CD1-CB 4.32Å; L662-A668 WeakPolarHBondContact O-CA 3.16Å; F663-A668 HydrophobicContact CD1-CB 4.11Å; F663-A668 HydrophobicContact CE1-CB 4.06Å; A668-V935 HydrophobicContact CB-CG2 3.88Å | ||
| 669 | T | 86.5 | Confident | 85.3 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.2 | -172 | -58.4 | 0 | 0 | 0 | 0 | 109.6 | F621 L662 G667 | F621-T669 HydrophobicContact CB-CG2 4.22Å; F621-T669 HydrophobicContact CD1-CG2 4.03Å; L662-T669 PolarHBondContact N-O 3.41Å; L662-T669 PolarHBondContact O-N 3.24Å; G667-T669 PolarHBondContact O-N 3.31Å; G667-T669 VanDerWaalsContact O-N 3.17Å; G667-T669 PolarHBondContact O-OG1 2.95Å |
| 670 | M | 89.6 | Confident | 84.9 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.4 | -173 | -148.7 | -55.4 | -56 | 0 | 0 | 109.8 | H622 I624 K659 F660 E672 | H622-M670 HydrophobicContact CB-CB 4.28Å; H622-M670 HydrophobicContact CB-CE 4.49Å; H622-M670 PolarHBondContact N-O 3.38Å; H622-M670 PolarHBondContact O-N 2.96Å; I624-M670 HydrophobicContact CD1-CB 4.14Å; I624-M670 HydrophobicContact CG1-CB 4.1Å; K659-M670 HydrophobicContact CB-CE 3.64Å; K659-M670 HydrophobicContact CB-SD 3.5Å; K659-M670 VanDerWaalsContact CB-SD 3.5Å; K659-M670 HydrophobicContact CD-CE 3.82Å; K659-M670 HydrophobicContact CG-CE 4.2Å; F660-M670 PolarHBondContact N-SD 2.94Å; F660-M670 VanDerWaalsContact N-SD 3.38Å; M670-E672 HydrophobicContact CE-CB 4.22Å |
| 671 | V | 91.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.2 | -177.5 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | I619 F621 F660 L662 I673 I896 | I619-V671 HydrophobicContact CG2-CG1 3.83Å; F621-V671 HydrophobicContact CD1-CG2 4.06Å; F621-V671 HydrophobicContact CE1-CG2 4.07Å; F660-V671 HydrophobicContact CD2-CB 4.27Å; F660-V671 HydrophobicContact CE2-CB 3.99Å; F660-V671 HydrophobicContact CE2-CG1 4.27Å; F660-V671 HydrophobicContact CE2-CG2 4.47Å; F660-V671 HydrophobicContact CZ-CB 4.31Å; F660-V671 HydrophobicContact CZ-CG1 4.16Å; F660-V671 PolarHBondContact N-O 3.2Å; F660-V671 VanDerWaalsContact N-O 3.07Å; F660-V671 PolarHBondContact O-N 3.04Å; L662-V671 HydrophobicContact CD1-CG2 3.81Å; L662-V671 HydrophobicContact CG-CG2 4.19Å; V671-I673 HydrophobicContact CG1-CD1 4.46Å; V671-I896 HydrophobicContact CG1-CD1 4.49Å; V671-I896 HydrophobicContact CG1-CG1 4.39Å; V671-I896 HydrophobicContact CG1-CG2 4.26Å; V671-I896 HydrophobicContact CG2-CG1 4.34Å |
| 672 | E | 92.2 | Very high | 84.7 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126 | 175 | 177 | -172.3 | 135.7 | 0 | 0 | 109.7 | V620 H622 K659 M670 R674 | V620-E672 HydrophobicContact CB-CB 4.3Å; V620-E672 PolarHBondContact N-O 3.38Å; V620-E672 PolarHBondContact O-N 3.22Å; H622-E672 IonicContact CD2-OE2 3.53Å; H622-E672 IonicContact CE1-OE2 2.7Å; H622-E672 IonicContact NE2-OE2 3.47Å; H622-E672 PolarHBondContact NE2-OE2 2.8Å; K659-E672 HydrophobicContact CD-CB 4.31Å; K659-E672 HydrophobicContact CD-CG 4.24Å; K659-E672 WeakPolarHBondContact CE-OE2 3.31Å; K659-E672 HydrophobicContact CG-CB 4.35Å; K659-E672 HydrophobicContact CG-CG 4.3Å; K659-E672 IonicContact NZ-OE2 3.43Å; K659-E672 PolarHBondContact NZ-OE2 3.45Å; M670-E672 HydrophobicContact CE-CB 4.22Å; E672-R674 IonicContact OE1-CZ 3.88Å; E672-R674 IonicContact OE1-NE 2.67Å; E672-R674 PolarHBondContact OE1-NE 2.93Å; E672-R674 IonicContact OE1-NH2 2.82Å; E672-R674 PolarHBondContact OE1-NH2 2.88Å; E672-R674 IonicContact OE2-NH2 2.79Å |
| 673 | I | 92.2 | Very high | 84.9 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 105.9 | 170 | -55.1 | -59 | 0 | 0 | 0 | 107.8 | Y617 I619 I648 L654 I657 V671 I896 L900 | Y617-I673 HydrophobicContact CD1-CG2 4.06Å; Y617-I673 HydrophobicContact CG-CG2 4.31Å; I619-I673 HydrophobicContact CB-CD1 4.49Å; I619-I673 HydrophobicContact CG1-CD1 3.95Å; I619-I673 HydrophobicContact CG2-CD1 4.36Å; I648-I673 HydrophobicContact CD1-CD1 4.37Å; L654-I673 HydrophobicContact CD1-CG2 4.35Å; I657-I673 HydrophobicContact CD1-CB 4.45Å; I657-I673 HydrophobicContact CD1-CG1 4.12Å; V671-I673 HydrophobicContact CG1-CD1 4.46Å; I673-I896 HydrophobicContact CD1-CG2 4.25Å; I673-L900 HydrophobicContact CG1-CD1 4.39Å |
| 674 | R | 89.2 | Confident | 85 | Confident | 92 Ų | 92 | 52.3 Ų | 52.3 | 35% | 0.347 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.3 | -175 | -175.3 | 179.2 | -63 | 170.4 | 2.8 | 111 | Y617 A618 V620 E672 I676 | Y617-R674 CarbonylContact C-O 3.43Å; Y617-R674 WeakPolarHBondContact CA-O 3.31Å; A618-R674 PolarHBondContact N-O 3.28Å; A618-R674 PolarHBondContact O-N 2.86Å; V620-R674 HydrophobicContact CG2-CB 4.12Å; E672-R674 IonicContact OE1-CZ 3.88Å; E672-R674 IonicContact OE1-NE 2.67Å; E672-R674 PolarHBondContact OE1-NE 2.93Å; E672-R674 IonicContact OE1-NH2 2.82Å; E672-R674 PolarHBondContact OE1-NH2 2.88Å; E672-R674 IonicContact OE2-NH2 2.79Å; R674-I676 HydrophobicContact CG-CD1 4.34Å |
| 675 | F | 89 | Confident | 85.4 | Confident | 102 Ų | 102 | 53.1 Ų | 53.1 | 45% | 0.447 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 135.4 | 169.7 | 176.7 | -114.2 | 0 | 0 | 0 | 111 | F615 Y617 D677 K678 | F615-F675 HydrophobicContact CB-CE2 4.49Å; F615-F675 AromaticContact CD1-CE2 3.94Å; F615-F675 HydrophobicContact CD1-CE2 3.94Å; Y617-F675 HydrophobicContact CD1-CB 3.9Å; Y617-F675 HydrophobicContact CD1-CD2 4.26Å; Y617-F675 HydrophobicContact CE1-CB 3.69Å; Y617-F675 AromaticContact CE1-CD2 3.81Å; Y617-F675 HydrophobicContact CE1-CD2 3.81Å; Y617-F675 HydrophobicContact CE1-CG 4.19Å; Y617-F675 HydrophobicContact CE2-CD2 4.29Å; Y617-F675 AromaticContact CZ-CD2 3.8Å; F675-D677 VanDerWaalsContact CE2-C 3.46Å; F675-D677 VanDerWaalsContact CE2-O 3.28Å; F675-D677 WeakPolarHBondContact CE2-O 3.23Å; F675-D677 VanDerWaalsContact CZ-C 3.43Å; F675-K678 HydrophobicContact CZ-CB 4.09Å |
| 676 | I | 86.1 | Confident | 86.3 | Confident | 46 Ų | 46 | 51 Ų | 51 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -59.8 | -179.6 | -58.1 | -56.5 | 0 | 0 | 0 | 111.1 | L616 A618 R674 Y733 | L616-I676 HydrophobicContact CD2-CG2 4.48Å; L616-I676 HydrophobicContact CG-CB 4.48Å; L616-I676 WeakPolarHBondContact O-CB 3.5Å; L616-I676 PolarHBondContact O-N 2.96Å; A618-I676 HydrophobicContact CB-CD1 3.79Å; A618-I676 HydrophobicContact CB-CG1 3.76Å; R674-I676 HydrophobicContact CG-CD1 4.34Å; I676-Y733 HydrophobicContact CD1-CD2 3.67Å; I676-Y733 HydrophobicContact CD1-CE2 4.34Å; I676-Y733 HydrophobicContact CD1-CG 4.44Å; I676-Y733 HydrophobicContact CG1-CD2 4.48Å |
| 677 | D | 82.4 | Confident | 87.2 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 157 | -174.6 | -176.6 | 27.4 | 0 | 0 | 0 | 112 | L616 F675 S679 V680 | L616-D677 PolarHBondContact N-O 3.09Å; L616-D677 PolarHBondContact O-N 3.33Å; F675-D677 VanDerWaalsContact CE2-C 3.46Å; F675-D677 VanDerWaalsContact CE2-O 3.28Å; F675-D677 WeakPolarHBondContact CE2-O 3.23Å; F675-D677 VanDerWaalsContact CZ-C 3.43Å; D677-S679 PolarHBondContact OD1-N 3.26Å; D677-S679 WeakPolarHBondContact OD2-CA 3.34Å; D677-S679 WeakPolarHBondContact OD2-CB 3.28Å; D677-S679 PolarHBondContact OD2-N 3.45Å; D677-S679 VanDerWaalsContact OD2-N 3.13Å; D677-S679 PolarHBondContact OD2-OG 3.17Å; D677-V680 HydrophobicContact CB-CG2 4.25Å |
| 678 | K | 80.3 | Confident | 88.1 | Confident | 114 Ų | 114 | 51.7 Ų | 51.7 | 50% | 0.496 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -12.8 | 172.3 | -176.8 | 174.2 | -176.2 | 170.4 | 0 | 112.8 | P613 S614 F615 F675 V680 | P613-K678 WeakPolarHBondContact CB-O 3.49Å; S614-K678 CarbonylContact O-C 3.58Å; F615-K678 HydrophobicContact CD1-CB 4.2Å; F615-K678 HydrophobicContact CD1-CD 4.14Å; F615-K678 HydrophobicContact CD1-CG 3.99Å; F615-K678 HydrophobicContact CE1-CB 4.41Å; F615-K678 HydrophobicContact CE1-CD 3.52Å; F615-K678 HydrophobicContact CE1-CG 3.87Å; F615-K678 HydrophobicContact CE2-CD 4.49Å; F615-K678 HydrophobicContact CG-CG 4.4Å; F615-K678 HydrophobicContact CZ-CD 3.74Å; F615-K678 HydrophobicContact CZ-CG 4.17Å; F675-K678 HydrophobicContact CZ-CB 4.09Å; K678-V680 VanDerWaalsContact C-N 3.28Å; K678-V680 PolarHBondContact O-N 3.37Å |
| 679 | S | 80.4 | Confident | 88.5 | Confident | 82 Ų | 82 | 52.4 Ų | 52.4 | 57% | 0.573 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -2.6 | -175.2 | 86 | 0 | 0 | 0 | 0 | 114.8 | D677 T681 | D677-S679 PolarHBondContact OD1-N 3.26Å; D677-S679 WeakPolarHBondContact OD2-CA 3.34Å; D677-S679 WeakPolarHBondContact OD2-CB 3.28Å; D677-S679 PolarHBondContact OD2-N 3.45Å; D677-S679 VanDerWaalsContact OD2-N 3.13Å; D677-S679 PolarHBondContact OD2-OG 3.17Å; S679-T681 PolarHBondContact O-N 3.08Å |
| 680 | V | 84.5 | Confident | 88.8 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 103.2 | -174.9 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | S614 L616 L649 D677 K678 V682 L735 | S614-V680 PolarHBondContact N-O 3.33Å; L616-V680 HydrophobicContact CB-CG2 3.89Å; L616-V680 HydrophobicContact CD2-CG2 4.05Å; L649-V680 HydrophobicContact CD1-CG1 4.11Å; D677-V680 HydrophobicContact CB-CG2 4.25Å; K678-V680 VanDerWaalsContact C-N 3.28Å; K678-V680 PolarHBondContact O-N 3.37Å; V680-V682 HydrophobicContact CG1-CG2 4.24Å; V680-L735 HydrophobicContact CG1-CD1 3.92Å |
| 681 | T | 89.8 | Confident | 89 | Confident | 84 Ų | 84 | 51.9 Ų | 51.9 | 52% | 0.515 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 138.4 | 170.8 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | P613 S679 | P613-T681 HydrophobicContact CB-CG2 4.4Å; S679-T681 PolarHBondContact O-N 3.08Å |
| 682 | V | 88.5 | Confident | 89 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | trans | -128.4 | 125.4 | -178.7 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | P610 D611 L649 V680 Q686 L687 I690 W737 | P610-V682 CarbonylContact C-O 3.58Å; P610-V682 WeakPolarHBondContact CA-O 3.32Å; D611-V682 PolarHBondContact N-O 3.08Å; L649-V682 HydrophobicContact CD2-CG2 4.05Å; V680-V682 HydrophobicContact CG1-CG2 4.24Å; V682-Q686 HydrophobicContact CG1-CB 3.49Å; V682-Q686 VanDerWaalsContact CG1-CB 3.49Å; V682-L687 HydrophobicContact CG1-CB 4.12Å; V682-I690 HydrophobicContact CG1-CD1 4.17Å; V682-W737 HydrophobicContact CG1-CH2 4.04Å | ||
| 683 | N | 91.7 | Very high | 89 | Confident | 68 Ų | 68 | 54.3 Ų | 54.3 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -77.6 | 164.1 | 179.5 | 75.7 | 52.4 | 0 | 0 | 0 | 112.3 | D611 G685 Q686 L687 | D611-N683 WeakPolarHBondContact OD1-CA 3.46Å; D611-N683 WeakPolarHBondContact OD1-CB 3.47Å; N683-G685 VanDerWaalsContact C-N 3.27Å; N683-G685 PolarHBondContact O-N 3.49Å; N683-G685 PolarHBondContact OD1-N 3.32Å; N683-Q686 PolarHBondContact ND2-OE1 2.94Å; N683-Q686 WeakPolarHBondContact O-CB 3.25Å; N683-Q686 PolarHBondContact O-N 2.96Å; N683-Q686 VanDerWaalsContact O-N 3.13Å; N683-Q686 PolarHBondContact OD1-N 3.47Å; N683-L687 WeakPolarHBondContact O-CB 3.39Å; N683-L687 PolarHBondContact O-N 3.36Å | ||
| 684 | S | 90.1 | Very high | 89.1 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 57% | 0.573 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.1 | -32.9 | -176.5 | 56.1 | 0 | 0 | 0 | 0 | 115.5 | F688 | S684-F688 PolarHBondContact O-N 3.42Å |
| 685 | G | 90.5 | Very high | 89.2 | Confident | 38 Ų | 38 | 52 Ų | 52 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77.4 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | N683 F688 L689 | N683-G685 VanDerWaalsContact C-N 3.27Å; N683-G685 PolarHBondContact O-N 3.49Å; N683-G685 PolarHBondContact OD1-N 3.32Å; G685-F688 PolarHBondContact O-N 2.94Å; G685-L689 PolarHBondContact O-N 3.4Å |
| 686 | Q | 91.3 | Very high | 89.3 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 172 | -77.7 | 175.7 | -48.6 | 0 | 0 | 112 | V682 N683 F688 L689 I690 W737 | V682-Q686 HydrophobicContact CG1-CB 3.49Å; V682-Q686 VanDerWaalsContact CG1-CB 3.49Å; N683-Q686 PolarHBondContact ND2-OE1 2.94Å; N683-Q686 WeakPolarHBondContact O-CB 3.25Å; N683-Q686 PolarHBondContact O-N 2.96Å; N683-Q686 VanDerWaalsContact O-N 3.13Å; N683-Q686 PolarHBondContact OD1-N 3.47Å; Q686-F688 VanDerWaalsContact C-N 3.32Å; Q686-F688 PolarHBondContact O-N 3.33Å; Q686-L689 WeakPolarHBondContact O-CB 3.41Å; Q686-L689 PolarHBondContact O-N 3.06Å; Q686-I690 PolarHBondContact O-N 3.38Å; Q686-W737 HydrophobicContact CB-CH2 3.55Å; Q686-W737 HydrophobicContact CB-CZ2 4.33Å; Q686-W737 HydrophobicContact CB-CZ3 3.75Å; Q686-W737 HydrophobicContact CG-CE3 4.42Å; Q686-W737 HydrophobicContact CG-CH2 3.83Å; Q686-W737 HydrophobicContact CG-CZ2 4.22Å; Q686-W737 HydrophobicContact CG-CZ3 3.92Å |
| 687 | L | 90.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 177.8 | -172.2 | 67 | 0 | 0 | 0 | 111.3 | P608 V682 N683 I690 F691 L721 | P608-L687 HydrophobicContact CB-CD1 4.17Å; P608-L687 WeakPolarHBondContact O-CD2 3.29Å; V682-L687 HydrophobicContact CG1-CB 4.12Å; N683-L687 WeakPolarHBondContact O-CB 3.39Å; N683-L687 PolarHBondContact O-N 3.36Å; L687-I690 PolarHBondContact O-N 3.33Å; L687-F691 HydrophobicContact CD1-CE1 4.35Å; L687-F691 HydrophobicContact CD1-CZ 4.14Å; L687-F691 HydrophobicContact CD2-CE2 4.2Å; L687-F691 HydrophobicContact CD2-CZ 3.96Å; L687-F691 HydrophobicContact CG-CE1 4.32Å; L687-F691 HydrophobicContact CG-CE2 3.86Å; L687-F691 HydrophobicContact CG-CZ 3.69Å; L687-F691 WeakPolarHBondContact O-CD2 3.42Å; L687-F691 WeakPolarHBondContact O-CG 3.37Å; L687-F691 PolarHBondContact O-N 2.78Å; L687-L721 HydrophobicContact CD1-CD1 3.68Å |
| 688 | F | 91.1 | Very high | 89.9 | Confident | 115 Ų | 115 | 42.6 Ų | 42.6 | 50% | 0.504 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 173.3 | -178.5 | -95 | 0 | 0 | 0 | 112.9 | S684 G685 Q686 F691 Q692 | S684-F688 PolarHBondContact O-N 3.42Å; G685-F688 PolarHBondContact O-N 2.94Å; Q686-F688 VanDerWaalsContact C-N 3.32Å; Q686-F688 PolarHBondContact O-N 3.33Å; F688-F691 PolarHBondContact O-N 3.08Å; F688-Q692 VanDerWaalsContact CE1-CD 3.48Å; F688-Q692 HydrophobicContact CE1-CG 4.02Å; F688-Q692 HydrophobicContact CZ-CG 4.15Å; F688-Q692 PolarHBondContact O-N 2.73Å; F688-Q692 VanDerWaalsContact O-N 3.14Å |
| 689 | L | 92 | Very high | 90.2 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 173.4 | -66.7 | 170.6 | 0 | 0 | 0 | 111.6 | G685 Q686 F691 Q692 F693 I740 I741 I744 | G685-L689 PolarHBondContact O-N 3.4Å; Q686-L689 WeakPolarHBondContact O-CB 3.41Å; Q686-L689 PolarHBondContact O-N 3.06Å; L689-F691 VanDerWaalsContact C-N 3.33Å; L689-F691 PolarHBondContact O-N 2.92Å; L689-Q692 PolarHBondContact O-N 2.71Å; L689-F693 PolarHBondContact O-N 2.8Å; L689-I740 HydrophobicContact CB-CG2 4.03Å; L689-I741 HydrophobicContact CD1-CG1 4.16Å; L689-I744 HydrophobicContact CB-CD1 3.96Å; L689-I744 HydrophobicContact CD2-CD1 3.76Å; L689-I744 HydrophobicContact CG-CD1 4.48Å; L689-I744 VanDerWaalsContact O-CD1 3.23Å; L689-I744 WeakPolarHBondContact O-CD1 3.32Å |
| 690 | I | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 174.7 | -65.1 | 170.9 | 0 | 0 | 0 | 110.9 | L649 V682 Q686 L687 Q692 F693 H694 L721 V723 W737 I740 | L649-I690 HydrophobicContact CD2-CD1 4.23Å; V682-I690 HydrophobicContact CG1-CD1 4.17Å; Q686-I690 PolarHBondContact O-N 3.38Å; L687-I690 PolarHBondContact O-N 3.33Å; I690-Q692 PolarHBondContact O-N 2.92Å; I690-F693 PolarHBondContact O-N 3.16Å; I690-H694 WeakPolarHBondContact O-CB 3.42Å; I690-H694 PolarHBondContact O-N 3.11Å; I690-L721 HydrophobicContact CG2-CB 3.97Å; I690-L721 HydrophobicContact CG2-CD1 3.78Å; I690-L721 HydrophobicContact CG2-CD2 4.47Å; I690-L721 HydrophobicContact CG2-CG 4.28Å; I690-V723 HydrophobicContact CD1-CG1 3.99Å; I690-V723 HydrophobicContact CG1-CG1 4.27Å; I690-V723 HydrophobicContact CG2-CG1 3.77Å; I690-W737 HydrophobicContact CD1-CH2 3.78Å; I690-W737 HydrophobicContact CD1-CZ3 4.18Å; I690-W737 HydrophobicContact CG1-CH2 4.21Å; I690-W737 HydrophobicContact CG1-CZ3 4.08Å; I690-I740 HydrophobicContact CG1-CD1 4.34Å |
| 691 | F | 92.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 10% | 0.101 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 175.3 | -64.1 | -37.3 | 0 | 0 | 0 | 112.2 | L607 L687 F688 L689 F693 H694 E695 Y711 P713 L721 | L607-F691 HydrophobicContact CD1-CE1 4.06Å; L607-F691 HydrophobicContact CD1-CZ 4.49Å; L607-F691 HydrophobicContact CD2-CZ 4.41Å; L687-F691 HydrophobicContact CD1-CE1 4.35Å; L687-F691 HydrophobicContact CD1-CZ 4.14Å; L687-F691 HydrophobicContact CD2-CE2 4.2Å; L687-F691 HydrophobicContact CD2-CZ 3.96Å; L687-F691 HydrophobicContact CG-CE1 4.32Å; L687-F691 HydrophobicContact CG-CE2 3.86Å; L687-F691 HydrophobicContact CG-CZ 3.69Å; L687-F691 WeakPolarHBondContact O-CD2 3.42Å; L687-F691 WeakPolarHBondContact O-CG 3.37Å; L687-F691 PolarHBondContact O-N 2.78Å; F688-F691 PolarHBondContact O-N 3.08Å; L689-F691 VanDerWaalsContact C-N 3.33Å; L689-F691 PolarHBondContact O-N 2.92Å; F691-F693 PolarHBondContact O-N 3.46Å; F691-H694 PolarHBondContact O-N 3.04Å; F691-E695 VanDerWaalsContact O-CB 3.29Å; F691-E695 WeakPolarHBondContact O-CB 3.06Å; F691-E695 PolarHBondContact O-N 2.89Å; F691-Y711 HydrophobicContact CB-CE1 4.34Å; F691-Y711 PolarHBondContact O-OH 3.43Å; F691-P713 HydrophobicContact CD1-CB 4.25Å; F691-P713 HydrophobicContact CD1-CG 3.74Å; F691-P713 HydrophobicContact CE1-CB 4.07Å; F691-P713 HydrophobicContact CE1-CG 3.83Å; F691-P713 HydrophobicContact CG-CG 4.22Å; F691-P713 HydrophobicContact CZ-CG 4.37Å; F691-L721 HydrophobicContact CD1-CD1 4.14Å; F691-L721 HydrophobicContact CD1-CD2 3.76Å; F691-L721 HydrophobicContact CE1-CD1 3.75Å; F691-L721 HydrophobicContact CE1-CD2 3.84Å; F691-L721 HydrophobicContact CE1-CG 4.36Å |
| 692 | Q | 91.4 | Very high | 90.3 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 179.7 | -66.7 | -166.1 | -55.4 | 0 | 0 | 113 | F688 L689 I690 Y696 I744 | F688-Q692 VanDerWaalsContact CE1-CD 3.48Å; F688-Q692 HydrophobicContact CE1-CG 4.02Å; F688-Q692 HydrophobicContact CZ-CG 4.15Å; F688-Q692 PolarHBondContact O-N 2.73Å; F688-Q692 VanDerWaalsContact O-N 3.14Å; L689-Q692 PolarHBondContact O-N 2.71Å; I690-Q692 PolarHBondContact O-N 2.92Å; Q692-Y696 WeakPolarHBondContact O-CB 3.17Å; Q692-Y696 PolarHBondContact O-N 2.73Å; Q692-Y696 VanDerWaalsContact O-N 3.15Å; Q692-I744 HydrophobicContact CB-CD1 4.15Å; Q692-I744 HydrophobicContact CB-CG1 4.28Å |
| 693 | F | 92.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 174.1 | 177.8 | -93.1 | 0 | 0 | 0 | 111.9 | L689 I690 F691 Y696 M697 P724 F739 I740 T743 I744 | L689-F693 PolarHBondContact O-N 2.8Å; I690-F693 PolarHBondContact O-N 3.16Å; F691-F693 PolarHBondContact O-N 3.46Å; F693-Y696 PolarHBondContact O-N 2.95Å; F693-M697 HydrophobicContact CD1-CE 4.12Å; F693-M697 HydrophobicContact CD1-CG 4.41Å; F693-M697 HydrophobicContact CD1-SD 4.15Å; F693-M697 HydrophobicContact CE1-CE 3.76Å; F693-M697 HydrophobicContact CE1-CG 3.99Å; F693-M697 HydrophobicContact CE1-SD 3.35Å; F693-M697 WeakPolarHBondContact CE1-SD 3.43Å; F693-M697 HydrophobicContact CZ-CG 4.19Å; F693-M697 HydrophobicContact CZ-SD 3.77Å; F693-M697 WeakPolarHBondContact O-CG 3.46Å; F693-M697 PolarHBondContact O-N 3.17Å; F693-M697 VanDerWaalsContact O-N 3.1Å; F693-P724 HydrophobicContact CE1-CG 4.08Å; F693-P724 HydrophobicContact CZ-CB 4.32Å; F693-P724 HydrophobicContact CZ-CG 4Å; F693-F739 HydrophobicContact CE2-CD1 4.19Å; F693-F739 HydrophobicContact CE2-CE1 4.06Å; F693-F739 HydrophobicContact CZ-CD1 4.34Å; F693-F739 HydrophobicContact CZ-CE1 4.07Å; F693-I740 HydrophobicContact CB-CG2 4.26Å; F693-I740 HydrophobicContact CD2-CG1 4.48Å; F693-I740 HydrophobicContact CG-CG1 4.42Å; F693-T743 HydrophobicContact CD2-CG2 4.06Å; F693-T743 HydrophobicContact CE2-CG2 4.05Å; F693-I744 HydrophobicContact CB-CD1 4.3Å; F693-I744 HydrophobicContact CB-CG1 4.43Å |
| 694 | H | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.5 | -44 | -179.4 | -175 | 115.4 | 0 | 0 | 0 | 112.1 | I690 F691 M697 F698 Y711 F720 V722 P1327 | I690-H694 WeakPolarHBondContact O-CB 3.42Å; I690-H694 PolarHBondContact O-N 3.11Å; F691-H694 PolarHBondContact O-N 3.04Å; H694-M697 PolarHBondContact O-N 3.41Å; H694-F698 AromaticContact CD2-CD2 3.75Å; H694-F698 AromaticContact CD2-CE2 3.91Å; H694-F698 AromaticContact CE1-CE2 3.76Å; H694-F698 AromaticContact NE2-CD2 3.68Å; H694-F698 AromaticContact NE2-CE2 3.47Å; H694-F698 WeakPolarHBondContact NE2-CE2 3.28Å; H694-F698 WeakPolarHBondContact O-CD2 3.43Å; H694-F698 PolarHBondContact O-N 3.4Å; H694-Y711 AromaticContact CD2-CE2 3.64Å; H694-Y711 AromaticContact CD2-CZ 3.96Å; H694-F720 PolarHBondContact CE1-O 3.19Å; H694-V722 PolarHBondContact CE1-N 3.5Å; H694-V722 PolarHBondContact ND1-N 3.09Å; H694-P1327 PolarHBondContact NE2-O 3.17Å |
| 695 | E | 92.1 | Very high | 89.4 | Confident | 73 Ų | 73 | 36.7 Ų | 36.7 | 34% | 0.341 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -52.2 | -57.4 | 170.5 | -172.6 | 170.7 | -140.2 | 0 | 0 | 110.2 | F691 M697 F698 S699 Y711 | F691-E695 VanDerWaalsContact O-CB 3.29Å; F691-E695 WeakPolarHBondContact O-CB 3.06Å; F691-E695 PolarHBondContact O-N 2.89Å; E695-M697 VanDerWaalsContact C-N 3.31Å; E695-M697 PolarHBondContact O-N 2.9Å; E695-F698 PolarHBondContact O-N 3.47Å; E695-S699 PolarHBondContact O-N 2.93Å; E695-S699 PolarHBondContact O-OG 3.42Å; E695-Y711 HydrophobicContact CB-CD1 3.75Å; E695-Y711 HydrophobicContact CB-CE1 3.72Å; E695-Y711 HydrophobicContact CB-CG 4.28Å; E695-Y711 HydrophobicContact CG-CD1 3.66Å; E695-Y711 HydrophobicContact CG-CE1 4.16Å; E695-Y711 HydrophobicContact CG-CG 4.03Å; E695-Y711 WeakPolarHBondContact OE1-CD1 3.31Å |
| 696 | Y | 90.3 | Very high | 88.8 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.2 | -35.6 | -178.3 | -176.4 | -111.1 | 0 | 0 | 0 | 114.6 | Q692 F693 E700 V701 T743 T747 L750 H880 | Q692-Y696 WeakPolarHBondContact O-CB 3.17Å; Q692-Y696 PolarHBondContact O-N 2.73Å; Q692-Y696 VanDerWaalsContact O-N 3.15Å; F693-Y696 PolarHBondContact O-N 2.95Å; Y696-E700 HydrophobicContact CD2-CB 3.67Å; Y696-E700 HydrophobicContact CD2-CG 3.78Å; Y696-E700 HydrophobicContact CE2-CB 3.48Å; Y696-E700 VanDerWaalsContact CE2-CB 3.48Å; Y696-E700 HydrophobicContact CE2-CG 3.75Å; Y696-E700 PolarHBondContact O-N 2.78Å; Y696-V701 HydrophobicContact CD1-CG2 4.14Å; Y696-V701 HydrophobicContact CE1-CG2 3.79Å; Y696-V701 PolarHBondContact O-N 3.43Å; Y696-T743 HydrophobicContact CD1-CG2 3.8Å; Y696-T743 HydrophobicContact CE1-CG2 3.81Å; Y696-T747 HydrophobicContact CD2-CG2 3.47Å; Y696-T747 VanDerWaalsContact CD2-CG2 3.47Å; Y696-T747 HydrophobicContact CE2-CG2 3.61Å; Y696-T747 WeakPolarHBondContact CE2-OG1 3.27Å; Y696-T747 HydrophobicContact CG-CG2 4.2Å; Y696-L750 HydrophobicContact CE2-CD1 4.46Å; Y696-H880 AromaticContact CE1-CE1 3.54Å; Y696-H880 AromaticContact CE1-NE2 3.13Å; Y696-H880 WeakPolarHBondContact CE1-NE2 3.16Å; Y696-H880 AromaticContact CZ-NE2 2.86Å; Y696-H880 PolarHBondContact OH-NE2 2.98Å |
| 697 | M | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -63.2 | -42.2 | 175 | -71.9 | -167.4 | -54.7 | 0 | 0 | 112.3 | L646 F693 H694 E695 V701 L702 V722 L890 L893 | L646-M697 HydrophobicContact CD2-SD 4.45Å; F693-M697 HydrophobicContact CD1-CE 4.12Å; F693-M697 HydrophobicContact CD1-CG 4.41Å; F693-M697 HydrophobicContact CD1-SD 4.15Å; F693-M697 HydrophobicContact CE1-CE 3.76Å; F693-M697 HydrophobicContact CE1-CG 3.99Å; F693-M697 HydrophobicContact CE1-SD 3.35Å; F693-M697 WeakPolarHBondContact CE1-SD 3.43Å; F693-M697 HydrophobicContact CZ-CG 4.19Å; F693-M697 HydrophobicContact CZ-SD 3.77Å; F693-M697 WeakPolarHBondContact O-CG 3.46Å; F693-M697 PolarHBondContact O-N 3.17Å; F693-M697 VanDerWaalsContact O-N 3.1Å; H694-M697 PolarHBondContact O-N 3.41Å; E695-M697 VanDerWaalsContact C-N 3.31Å; E695-M697 PolarHBondContact O-N 2.9Å; M697-V701 WeakPolarHBondContact O-CB 3.1Å; M697-L702 WeakPolarHBondContact O-CB 3.19Å; M697-L702 VanDerWaalsContact O-CG 3.27Å; M697-L702 WeakPolarHBondContact O-CG 3.12Å; M697-L702 PolarHBondContact O-N 3.48Å; M697-V722 HydrophobicContact CE-CB 3.8Å; M697-V722 HydrophobicContact CE-CG1 3.76Å; M697-L890 HydrophobicContact CG-CD2 4.16Å; M697-L890 HydrophobicContact SD-CD2 3.32Å; M697-L890 WeakPolarHBondContact SD-CD2 3.41Å; M697-L893 HydrophobicContact CE-CD2 4.48Å |
| 698 | F | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -87.9 | -32.6 | -174.9 | -72.4 | -67.1 | 0 | 0 | 0 | 113.2 | H694 E695 L702 R703 L704 L893 L897 W1324 P1326 Y1329 | H694-F698 AromaticContact CD2-CD2 3.75Å; H694-F698 AromaticContact CD2-CE2 3.91Å; H694-F698 AromaticContact CE1-CE2 3.76Å; H694-F698 AromaticContact NE2-CD2 3.68Å; H694-F698 AromaticContact NE2-CE2 3.47Å; H694-F698 WeakPolarHBondContact NE2-CE2 3.28Å; H694-F698 WeakPolarHBondContact O-CD2 3.43Å; H694-F698 PolarHBondContact O-N 3.4Å; E695-F698 PolarHBondContact O-N 3.47Å; F698-L702 HydrophobicContact CD1-CD1 3.78Å; F698-L702 HydrophobicContact CE1-CD1 3.9Å; F698-R703 PolarHBondContact O-N 2.72Å; F698-L704 HydrophobicContact CD1-CD1 4.2Å; F698-L704 PolarHBondContact O-N 3.13Å; F698-L893 HydrophobicContact CE1-CD2 4.05Å; F698-L893 HydrophobicContact CE2-CD2 4.35Å; F698-L893 HydrophobicContact CZ-CD2 3.58Å; F698-L893 HydrophobicContact CZ-CG 4.28Å; F698-L897 HydrophobicContact CZ-CD1 4.07Å; F698-W1324 HydrophobicContact CE1-CH2 4.21Å; F698-W1324 HydrophobicContact CE1-CZ3 4.38Å; F698-P1326 HydrophobicContact CB-CB 4.44Å; F698-P1326 HydrophobicContact CD1-CB 3.75Å; F698-P1326 HydrophobicContact CD1-CG 4.33Å; F698-P1326 HydrophobicContact CD2-CB 4.46Å; F698-P1326 HydrophobicContact CE1-CB 4.07Å; F698-P1326 HydrophobicContact CG-CB 3.97Å; F698-Y1329 HydrophobicContact CB-CE2 3.64Å; F698-Y1329 HydrophobicContact CD2-CE2 4.46Å; F698-Y1329 HydrophobicContact CG-CE2 4.29Å |
| 699 | S | 88.2 | Confident | 87.1 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -80.7 | -59.4 | -179.8 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | E695 R703 E705 | E695-S699 PolarHBondContact O-N 2.93Å; E695-S699 PolarHBondContact O-OG 3.42Å; S699-R703 WeakPolarHBondContact O-CA 3.39Å; S699-R703 PolarHBondContact O-N 2.91Å; S699-E705 WeakPolarHBondContact CB-OE2 3.43Å |
| 700 | E | 83.9 | Confident | 86.9 | Confident | 98 Ų | 98 | 42.4 Ų | 42.4 | 46% | 0.458 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -92 | -44.9 | -171.2 | -70.1 | -66.5 | 148.3 | 0 | 0 | 113.1 | Y696 R703 F786 | Y696-E700 HydrophobicContact CD2-CB 3.67Å; Y696-E700 HydrophobicContact CD2-CG 3.78Å; Y696-E700 HydrophobicContact CE2-CB 3.48Å; Y696-E700 VanDerWaalsContact CE2-CB 3.48Å; Y696-E700 HydrophobicContact CE2-CG 3.75Å; Y696-E700 PolarHBondContact O-N 2.78Å; E700-R703 WeakPolarHBondContact O-CG 3.19Å; E700-F786 WeakPolarHBondContact O-CE2 3.27Å |
| 701 | V | 85.4 | Confident | 86.7 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -75.3 | -49.7 | -175.6 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | Y696 M697 I882 W887 L890 | Y696-V701 HydrophobicContact CD1-CG2 4.14Å; Y696-V701 HydrophobicContact CE1-CG2 3.79Å; Y696-V701 PolarHBondContact O-N 3.43Å; M697-V701 WeakPolarHBondContact O-CB 3.1Å; V701-I882 HydrophobicContact CG2-CD1 4.35Å; V701-W887 HydrophobicContact CB-CH2 4.29Å; V701-W887 HydrophobicContact CB-CZ2 4.45Å; V701-W887 HydrophobicContact CG1-CD2 4.38Å; V701-W887 HydrophobicContact CG1-CH2 3.83Å; V701-W887 HydrophobicContact CG1-CZ2 3.69Å; V701-W887 HydrophobicContact CG1-CZ3 4.25Å; V701-W887 HydrophobicContact CG2-CH2 3.99Å; V701-W887 HydrophobicContact CG2-CZ3 4.29Å; V701-L890 HydrophobicContact CG1-CD1 4.15Å |
| 702 | L | 86.7 | Confident | 86.6 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -93.7 | -12.1 | -179.7 | -64.8 | 173.9 | 0 | 0 | 0 | 114.3 | M697 F698 L704 L839 P894 | M697-L702 WeakPolarHBondContact O-CB 3.19Å; M697-L702 VanDerWaalsContact O-CG 3.27Å; M697-L702 WeakPolarHBondContact O-CG 3.12Å; M697-L702 PolarHBondContact O-N 3.48Å; F698-L702 HydrophobicContact CD1-CD1 3.78Å; F698-L702 HydrophobicContact CE1-CD1 3.9Å; L702-L704 VanDerWaalsContact C-N 3.29Å; L702-L704 HydrophobicContact CB-CD1 4.5Å; L702-L704 HydrophobicContact CB-CG 4.18Å; L702-L704 PolarHBondContact O-N 3.48Å; L702-L839 HydrophobicContact CD2-CD2 3.87Å; L702-P894 HydrophobicContact CD1-CG 4.12Å |
| 703 | R | 85.3 | Confident | 86.3 | Confident | 107 Ų | 107 | 40.6 Ų | 40.6 | 40% | 0.404 | 19% | 0.189 | S | C | . | . | trans | 55.1 | 39.8 | 175.6 | -55.5 | -175.6 | -179.5 | -167.5 | 0.7 | 114.2 | F698 S699 E700 A784 | F698-R703 PolarHBondContact O-N 2.72Å; S699-R703 WeakPolarHBondContact O-CA 3.39Å; S699-R703 PolarHBondContact O-N 2.91Å; E700-R703 WeakPolarHBondContact O-CG 3.19Å; R703-A784 PolarHBondContact NH2-O 3.09Å | ||
| 704 | L | 84.5 | Confident | 86 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -91.6 | -18.4 | 178.3 | -64.5 | -174 | 0 | 0 | 0 | 113.5 | F698 L702 K706 L839 P894 P1320 A1321 W1324 P1326 | F698-L704 HydrophobicContact CD1-CD1 4.2Å; F698-L704 PolarHBondContact O-N 3.13Å; L702-L704 VanDerWaalsContact C-N 3.29Å; L702-L704 HydrophobicContact CB-CD1 4.5Å; L702-L704 HydrophobicContact CB-CG 4.18Å; L702-L704 PolarHBondContact O-N 3.48Å; L704-K706 PolarHBondContact O-N 3.42Å; L704-L839 HydrophobicContact CD2-CD1 3.59Å; L704-L839 HydrophobicContact CG-CD1 4.24Å; L704-P894 HydrophobicContact CD1-CG 4.2Å; L704-P1320 HydrophobicContact CD1-CB 4.44Å; L704-P1320 HydrophobicContact CD2-CB 3.93Å; L704-A1321 HydrophobicContact CD2-CB 4.09Å; L704-W1324 HydrophobicContact CD1-CE3 4.07Å; L704-W1324 HydrophobicContact CD1-CZ3 3.71Å; L704-P1326 HydrophobicContact CB-CG 4.12Å; L704-P1326 HydrophobicContact CD1-CG 3.95Å | ||
| 705 | E | 81.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 55.4 Ų | 55.4 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | trans | -70.5 | 113.8 | 178.1 | -172.1 | 155.9 | -157.2 | 0 | 0 | 111.3 | S699 Y1329 | S699-E705 WeakPolarHBondContact CB-OE2 3.43Å; E705-Y1329 HydrophobicContact CB-CE1 4.02Å; E705-Y1329 HydrophobicContact CG-CE1 3.92Å; E705-Y1329 PolarHBondContact OE2-OH 2.71Å | ||
| 706 | K | 77.6 | Confident | 85.3 | Confident | 66 Ų | 66 | 52 Ų | 52 | 29% | 0.287 | 23% | 0.234 | S | C | . | . | trans | -114.4 | 158.1 | 173.5 | -73.4 | -177.2 | 177.6 | 165.9 | 0 | 109.6 | L704 S708 I709 A1321 D1322 | L704-K706 PolarHBondContact O-N 3.42Å; K706-S708 PolarHBondContact O-N 2.79Å; K706-I709 WeakPolarHBondContact O-CG1 3.47Å; K706-I709 PolarHBondContact O-N 2.8Å; K706-A1321 VanDerWaalsContact CD-O 3.31Å; K706-A1321 WeakPolarHBondContact CD-O 3.47Å; K706-A1321 WeakPolarHBondContact CE-O 3.37Å; K706-A1321 PolarHBondContact NZ-O 3.29Å; K706-D1322 IonicContact NZ-OD1 2.71Å; K706-D1322 PolarHBondContact NZ-OD1 3.1Å; K706-D1322 IonicContact NZ-OD2 3.72Å; K706-D1322 PolarHBondContact NZ-OD2 3.38Å | ||
| 707 | F | 77.7 | Confident | 85 | Confident | 193 Ų | 193 | 53.2 Ų | 53.2 | 85% | 0.846 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -12.3 | -179.5 | 76.5 | -87.9 | 0 | 0 | 0 | 116.1 | L1332 | F707-L1332 WeakPolarHBondContact O-CD1 3.35Š|
| 708 | S | 76.4 | Confident | 84.7 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -11.9 | 179 | 48.6 | 0 | 0 | 0 | 0 | 114 | K706 L1332 | K706-S708 PolarHBondContact O-N 2.79Å; S708-L1332 PolarHBondContact O-N 2.53Å |
| 709 | I | 84.4 | Confident | 84.5 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 162.9 | 177.2 | 66.7 | 172 | 0 | 0 | 0 | 110.3 | K706 L1325 Y1329 M1330 F1386 | K706-I709 WeakPolarHBondContact O-CG1 3.47Å; K706-I709 PolarHBondContact O-N 2.8Å; I709-L1325 HydrophobicContact CB-CD1 4.44Å; I709-L1325 HydrophobicContact CG2-CD1 3.73Å; I709-Y1329 HydrophobicContact CD1-CD1 3.85Å; I709-Y1329 HydrophobicContact CD1-CE1 4.46Å; I709-Y1329 HydrophobicContact CD1-CG 4.42Å; I709-Y1329 HydrophobicContact CG1-CD1 4.13Å; I709-M1330 CarbonylContact C-O 3.14Å; I709-M1330 WeakPolarHBondContact CA-O 3.39Å; I709-F1386 HydrophobicContact CG2-CD2 4.11Å; I709-F1386 HydrophobicContact CG2-CE2 4.11Å; I709-F1386 HydrophobicContact CG2-CG 4.33Å; I709-F1386 HydrophobicContact CG2-CZ 4.32Å |
| 710 | K | 86.9 | Confident | 84.7 | Confident | 81 Ų | 81 | 53 Ų | 53 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 138.9 | -178 | -179.3 | -135.3 | 168.5 | -165.6 | 0 | 109.8 | D712 Y1329 M1330 L1332 | K710-D712 HydrophobicContact CD-CB 4.38Å; K710-D712 IonicContact NZ-OD2 3.17Å; K710-D712 PolarHBondContact NZ-OD2 2.94Å; K710-D712 PolarHBondContact O-N 3.19Å; K710-Y1329 WeakPolarHBondContact O-CA 3.39Å; K710-M1330 PolarHBondContact N-O 3.38Å; K710-M1330 PolarHBondContact O-N 3.46Å; K710-L1332 HydrophobicContact CB-CD1 4.26Å; K710-L1332 HydrophobicContact CB-CD2 3.98Å; K710-L1332 HydrophobicContact CB-CG 3.97Å |
| 711 | Y | 90.1 | Very high | 85.1 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 7% | 0.071 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 122.4 | 168.1 | -167.1 | -119.8 | 0 | 0 | 0 | 111.4 | F691 H694 E695 P713 G1328 Y1329 | F691-Y711 HydrophobicContact CB-CE1 4.34Å; F691-Y711 PolarHBondContact O-OH 3.43Å; H694-Y711 AromaticContact CD2-CE2 3.64Å; H694-Y711 AromaticContact CD2-CZ 3.96Å; E695-Y711 HydrophobicContact CB-CD1 3.75Å; E695-Y711 HydrophobicContact CB-CE1 3.72Å; E695-Y711 HydrophobicContact CB-CG 4.28Å; E695-Y711 HydrophobicContact CG-CD1 3.66Å; E695-Y711 HydrophobicContact CG-CE1 4.16Å; E695-Y711 HydrophobicContact CG-CG 4.03Å; E695-Y711 WeakPolarHBondContact OE1-CD1 3.31Å; Y711-P713 HydrophobicContact CE1-CG 3.89Å; Y711-P713 HydrophobicContact CE2-CB 4.39Å; Y711-P713 HydrophobicContact CE2-CG 4.35Å; Y711-G1328 VanDerWaalsContact CD2-O 3.27Å; Y711-G1328 WeakPolarHBondContact CD2-O 3.46Å; Y711-Y1329 AromaticContact CD2-CD2 3.76Å; Y711-Y1329 HydrophobicContact CD2-CD2 3.76Å; Y711-Y1329 AromaticContact CD2-CE2 3.53Å; Y711-Y1329 HydrophobicContact CD2-CE2 3.53Å; Y711-Y1329 HydrophobicContact CD2-CG 4.35Å; Y711-Y1329 AromaticContact CD2-CZ 3.94Å; Y711-Y1329 HydrophobicContact CE2-CD2 4.46Å; Y711-Y1329 HydrophobicContact CE2-CE2 4.23Å; Y711-Y1329 HydrophobicContact CG-CE2 4.35Å |
| 712 | D | 88.9 | Confident | 85.5 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | trans | -159.1 | 85.3 | 168.9 | -162.2 | -41.4 | 0 | 0 | 0 | 110 | K710 R714 Q715 A716 G1328 M1330 | K710-D712 HydrophobicContact CD-CB 4.38Å; K710-D712 IonicContact NZ-OD2 3.17Å; K710-D712 PolarHBondContact NZ-OD2 2.94Å; K710-D712 PolarHBondContact O-N 3.19Å; D712-R714 PolarHBondContact O-N 3.01Å; D712-R714 PolarHBondContact OD1-N 3.24Å; D712-Q715 HydrophobicContact CB-CB 4.31Å; D712-Q715 PolarHBondContact O-N 2.67Å; D712-Q715 PolarHBondContact OD1-N 3.22Å; D712-Q715 PolarHBondContact OD2-NE2 3.28Å; D712-A716 WeakPolarHBondContact O-CB 3.47Å; D712-A716 PolarHBondContact O-N 2.67Å; D712-G1328 CarbonylContact C-O 3.52Å; D712-G1328 PolarHBondContact N-O 2.62Å; D712-M1330 HydrophobicContact CB-CG 4.12Å; D712-M1330 HydrophobicContact CB-SD 3.84Å | ||
| 713 | P | 85.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3.2 | -172.2 | 27.2 | -35.7 | 0 | 0 | 0 | 114.2 | L607 F691 Y711 S719 | L607-P713 HydrophobicContact CD1-CB 4.18Å; L607-P713 WeakPolarHBondContact CD2-O 3.43Å; F691-P713 HydrophobicContact CD1-CB 4.25Å; F691-P713 HydrophobicContact CD1-CG 3.74Å; F691-P713 HydrophobicContact CE1-CB 4.07Å; F691-P713 HydrophobicContact CE1-CG 3.83Å; F691-P713 HydrophobicContact CG-CG 4.22Å; F691-P713 HydrophobicContact CZ-CG 4.37Å; Y711-P713 HydrophobicContact CE1-CG 3.89Å; Y711-P713 HydrophobicContact CE2-CB 4.39Å; Y711-P713 HydrophobicContact CE2-CG 4.35Å; P713-S719 WeakPolarHBondContact O-CB 3.49Å |
| 714 | R | 86.2 | Confident | 86.1 | Confident | 192 Ų | 192 | 42.3 Ų | 42.3 | 73% | 0.725 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -18.8 | 173.7 | -63.2 | -177.2 | 179.3 | -170.7 | -0.4 | 113.6 | L607 D712 | L607-R714 HydrophobicContact CD2-CG 4.19Å; D712-R714 PolarHBondContact O-N 3.01Å; D712-R714 PolarHBondContact OD1-N 3.24Å |
| 715 | Q | 84.8 | Confident | 86.5 | Confident | 121 Ų | 121 | 42.1 Ų | 42.1 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -19.3 | 179.9 | -63.9 | -171.7 | 87.6 | 0 | 0 | 112.8 | D712 D717 M1330 | D712-Q715 HydrophobicContact CB-CB 4.31Å; D712-Q715 PolarHBondContact O-N 2.67Å; D712-Q715 PolarHBondContact OD1-N 3.22Å; D712-Q715 PolarHBondContact OD2-NE2 3.28Å; Q715-D717 PolarHBondContact O-N 3.46Å; Q715-M1330 HydrophobicContact CB-SD 3.79Å |
| 716 | A | 85.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -58.6 | 131 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H605 D712 S719 G1328 Y1329 | H605-A716 PolarHBondContact ND1-O 3.33Å; D712-A716 WeakPolarHBondContact O-CB 3.47Å; D712-A716 PolarHBondContact O-N 2.67Å; A716-S719 WeakPolarHBondContact O-CB 3.35Å; A716-S719 PolarHBondContact O-OG 2.72Å; A716-G1328 VanDerWaalsContact CB-C 3.47Å; A716-Y1329 WeakPolarHBondContact CB-O 3.12Å | ||
| 717 | D | 84.5 | Confident | 87 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -55.5 | -51.9 | 173.1 | -70.6 | -29.8 | 0 | 0 | 0 | 110.4 | R596 I599 F604 H605 Q715 | R596-D717 IonicContact CZ-OD2 2.71Å; R596-D717 IonicContact NH2-OD1 3.9Å; R596-D717 PolarHBondContact NH2-OD1 2.71Å; R596-D717 IonicContact NH2-OD2 2.71Å; R596-D717 PolarHBondContact NH2-OD2 2.71Å; I599-D717 HydrophobicContact CD1-CB 3.31Å; F604-D717 CarbonylContact C-O 3.6Å; F604-D717 WeakPolarHBondContact CA-O 3.44Å; F604-D717 HydrophobicContact CD2-CB 4.04Å; F604-D717 HydrophobicContact CE2-CB 3.82Å; H605-D717 PolarHBondContact N-O 2.98Å; Q715-D717 PolarHBondContact O-N 3.46Å |
| 718 | T | 85.2 | Confident | 86.8 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 8% | 0.08 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -88.8 | 103.2 | 171.5 | 25.6 | 0 | 0 | 0 | 0 | 110.5 | I599 L603 F720 G1328 | I599-T718 HydrophobicContact CB-CG2 4.47Å; I599-T718 HydrophobicContact CD1-CG2 4.07Å; I599-T718 HydrophobicContact CG1-CG2 4.08Å; I599-T718 HydrophobicContact CG2-CG2 3.59Å; L603-T718 HydrophobicContact CB-CG2 4.41Å; T718-F720 HydrophobicContact CG2-CE1 4.48Å; T718-G1328 PolarHBondContact O-N 2.9Å |
| 719 | S | 84.5 | Confident | 86.5 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | trans | -133.2 | 60.4 | -170.7 | 21.6 | 0 | 0 | 0 | 0 | 112.6 | H605 A606 L607 P713 A716 | H605-S719 VanDerWaalsContact CA-OG 3.32Å; H605-S719 WeakPolarHBondContact CA-OG 3.33Å; A606-S719 CarbonylContact C-O 3.5Å; A606-S719 VanDerWaalsContact C-O 3.28Å; L607-S719 WeakPolarHBondContact CA-O 3.31Å; L607-S719 WeakPolarHBondContact CB-O 3.33Å; L607-S719 VanDerWaalsContact CD1-O 3.28Å; L607-S719 WeakPolarHBondContact CD1-O 3.27Å; L607-S719 PolarHBondContact N-O 2.88Å; L607-S719 VanDerWaalsContact N-O 3.16Å; P713-S719 WeakPolarHBondContact O-CB 3.49Å; A716-S719 WeakPolarHBondContact O-CB 3.35Å; A716-S719 PolarHBondContact O-OG 2.72Å | ||
| 720 | F | 92.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | trans | -110.6 | 162.6 | 167.8 | 64.3 | -91 | 0 | 0 | 0 | 110.6 | L603 I648 H694 T718 V722 L897 P1327 | L603-F720 HydrophobicContact CB-CD1 4.21Å; L603-F720 HydrophobicContact CB-CE1 4.38Å; L603-F720 HydrophobicContact CD1-CD1 4.44Å; L603-F720 HydrophobicContact CD1-CE1 3.93Å; L603-F720 HydrophobicContact CD2-CD1 3.76Å; L603-F720 HydrophobicContact CD2-CE1 4Å; L603-F720 HydrophobicContact CD2-CG 4.32Å; L603-F720 HydrophobicContact CG-CD1 4.36Å; L603-F720 HydrophobicContact CG-CE1 4.34Å; I648-F720 HydrophobicContact CG2-CD2 3.78Å; I648-F720 HydrophobicContact CG2-CE2 4.27Å; H694-F720 PolarHBondContact CE1-O 3.19Å; T718-F720 HydrophobicContact CG2-CE1 4.48Å; F720-V722 HydrophobicContact CE2-CG2 4.43Å; F720-L897 HydrophobicContact CE2-CD1 4.41Å; F720-L897 HydrophobicContact CE2-CD2 3.84Å; F720-L897 HydrophobicContact CZ-CD1 4.48Å; F720-L897 HydrophobicContact CZ-CD2 4.01Å; F720-P1327 HydrophobicContact CD1-CB 4.29Å; F720-P1327 HydrophobicContact CD2-CB 4.3Å; F720-P1327 HydrophobicContact CD2-CG 4.44Å; F720-P1327 HydrophobicContact CE1-CB 3.97Å; F720-P1327 HydrophobicContact CE1-CG 3.91Å; F720-P1327 HydrophobicContact CE2-CB 4Å; F720-P1327 HydrophobicContact CE2-CG 3.66Å; F720-P1327 HydrophobicContact CG-CB 4.46Å; F720-P1327 HydrophobicContact CZ-CB 3.84Å; F720-P1327 HydrophobicContact CZ-CG 3.36Å | ||
| 721 | L | 92.9 | Very high | 84.3 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.3 | -172 | -60.9 | 173.7 | 0 | 0 | 0 | 112.4 | L607 P608 L649 L687 I690 F691 | L607-L721 HydrophobicContact CD1-CD2 4.49Å; L607-L721 HydrophobicContact CD1-CG 4.4Å; P608-L721 HydrophobicContact CG-CD1 4.16Å; L649-L721 HydrophobicContact CB-CB 4.5Å; L649-L721 PolarHBondContact N-O 3.08Å; L649-L721 PolarHBondContact O-N 3.43Å; L687-L721 HydrophobicContact CD1-CD1 3.68Å; I690-L721 HydrophobicContact CG2-CB 3.97Å; I690-L721 HydrophobicContact CG2-CD1 3.78Å; I690-L721 HydrophobicContact CG2-CD2 4.47Å; I690-L721 HydrophobicContact CG2-CG 4.28Å; F691-L721 HydrophobicContact CD1-CD1 4.14Å; F691-L721 HydrophobicContact CD1-CD2 3.76Å; F691-L721 HydrophobicContact CE1-CD1 3.75Å; F691-L721 HydrophobicContact CE1-CD2 3.84Å; F691-L721 HydrophobicContact CE1-CG 4.36Å |
| 722 | V | 93.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.3 | 171.4 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | L646 G647 H694 M697 F720 L893 L897 | L646-V722 HydrophobicContact CD2-CG1 4.04Å; G647-V722 WeakPolarHBondContact O-CA 3.22Å; H694-V722 PolarHBondContact CE1-N 3.5Å; H694-V722 PolarHBondContact ND1-N 3.09Å; M697-V722 HydrophobicContact CE-CB 3.8Å; M697-V722 HydrophobicContact CE-CG1 3.76Å; F720-V722 HydrophobicContact CE2-CG2 4.43Å; V722-L893 HydrophobicContact CB-CD2 4.44Å; V722-L893 HydrophobicContact CG1-CD1 4.04Å; V722-L893 HydrophobicContact CG1-CD2 3.93Å; V722-L893 HydrophobicContact CG2-CD1 4.29Å; V722-L893 HydrophobicContact CG2-CD2 4.3Å; V722-L897 HydrophobicContact CG2-CD1 4.14Å |
| 723 | V | 93.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.3 | -170.7 | -72 | 0 | 0 | 0 | 0 | 111.4 | L616 L646 G647 L649 I690 L735 | L616-V723 HydrophobicContact CD1-CG2 3.94Å; L646-V723 CarbonylContact C-O 3.56Å; G647-V723 PolarHBondContact N-O 2.85Å; G647-V723 PolarHBondContact O-N 3.02Å; L649-V723 HydrophobicContact CB-CG1 4.32Å; L649-V723 HydrophobicContact CB-CG2 4.27Å; I690-V723 HydrophobicContact CD1-CG1 3.99Å; I690-V723 HydrophobicContact CG1-CG1 4.27Å; I690-V723 HydrophobicContact CG2-CG1 3.77Å; V723-L735 HydrophobicContact CB-CD2 3.71Å; V723-L735 HydrophobicContact CG1-CD2 4.11Å; V723-L735 HydrophobicContact CG2-CD2 3.66Å |
| 724 | P | 92.7 | Very high | 83.5 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.5 | 170.8 | 33.2 | -32 | 0 | 0 | 0 | 110.3 | F693 D736 F739 I740 M886 | F693-P724 HydrophobicContact CE1-CG 4.08Å; F693-P724 HydrophobicContact CZ-CB 4.32Å; F693-P724 HydrophobicContact CZ-CG 4Å; P724-D736 HydrophobicContact CB-CB 4.35Å; P724-D736 HydrophobicContact CG-CB 4.41Å; P724-D736 PolarHBondContact O-N 2.68Å; P724-F739 HydrophobicContact CB-CD1 3.69Å; P724-F739 HydrophobicContact CB-CE1 4.14Å; P724-F739 HydrophobicContact CG-CD1 3.94Å; P724-I740 HydrophobicContact CG-CD1 3.9Å; P724-I740 HydrophobicContact CG-CG1 3.45Å; P724-I740 VanDerWaalsContact CG-CG1 3.45Å; P724-M886 HydrophobicContact CB-CE 4.11Å |
| 725 | L | 91.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136 | 179 | -67.2 | 177.7 | 0 | 0 | 0 | 110.4 | L616 A618 Q644 T645 Y733 T734 L735 | L616-L725 HydrophobicContact CD1-CD2 4.16Å; L616-L725 HydrophobicContact CD2-CD2 3.93Å; L616-L725 HydrophobicContact CG-CD2 4.5Å; A618-L725 HydrophobicContact CB-CD1 3.76Å; Q644-L725 CarbonylContact C-O 3.28Å; Q644-L725 VanDerWaalsContact CA-O 3.28Å; Q644-L725 WeakPolarHBondContact CA-O 3.4Å; T645-L725 HydrophobicContact CG2-CB 4.03Å; T645-L725 PolarHBondContact N-O 2.71Å; T645-L725 PolarHBondContact O-N 3.42Å; L725-Y733 HydrophobicContact CB-CD1 4.21Å; L725-T734 CarbonylContact C-O 3.57Å; L725-T734 VanDerWaalsContact CA-O 3.32Å; L725-T734 WeakPolarHBondContact CA-O 3.38Å; L725-L735 HydrophobicContact CD2-CD2 3.97Å; L725-L735 HydrophobicContact CD2-CG 4.42Å |
| 726 | V | 88.6 | Confident | 83.9 | Confident | 46 Ų | 46 | 36.2 Ų | 36.2 | 28% | 0.279 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139 | 165.7 | 66.9 | 0 | 0 | 0 | 0 | 109.3 | Y733 T734 D736 | V726-Y733 WeakPolarHBondContact O-CA 3.33Å; V726-T734 WeakPolarHBondContact CG1-OG1 3.31Å; V726-T734 PolarHBondContact N-O 3.29Å; V726-T734 PolarHBondContact O-N 3.22Å; V726-D736 HydrophobicContact CB-CB 4.37Å |
| 727 | K | 82.4 | Confident | 84.1 | Confident | 78 Ų | 78 | 39.4 Ų | 39.4 | 34% | 0.339 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.5 | 176.3 | -174.5 | -172.3 | 176.1 | -174.3 | 0 | 110 | S643 S731 Y733 | S643-K727 WeakPolarHBondContact O-CB 3.27Å; S643-K727 PolarHBondContact O-N 2.76Å; K727-S731 WeakPolarHBondContact CE-OG 3.48Å; K727-S731 PolarHBondContact NZ-OG 3.26Å; K727-Y733 HydrophobicContact CB-CD1 3.93Å; K727-Y733 HydrophobicContact CB-CE1 3.74Å; K727-Y733 HydrophobicContact CD-CE1 4.32Å; K727-Y733 HydrophobicContact CG-CD1 4.34Å; K727-Y733 HydrophobicContact CG-CE1 3.98Å |
| 728 | D | 73 | Confident | 84.3 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | trans | -70.1 | 153.7 | 170.2 | -76.8 | -63.5 | 0 | 0 | 0 | 111 | T730 S731 N732 T734 | D728-T730 PolarHBondContact O-N 3.27Å; D728-S731 PolarHBondContact O-N 3.4Å; D728-N732 PolarHBondContact N-O 2.87Å; D728-T734 VanDerWaalsContact OD2-CG2 3.25Å; D728-T734 WeakPolarHBondContact OD2-CG2 3.45Å; D728-T734 PolarHBondContact OD2-OG1 2.76Å | ||
| 729 | G | 69.2 | Low | 84.5 | Confident | 91 Ų | 91 | 40.7 Ų | 40.7 | 94% | 0.938 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -14.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 730 | T | 62.2 | Low | 84.8 | Confident | 114 Ų | 114 | 40.6 Ų | 40.6 | 70% | 0.699 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.3 | 174.6 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | D728 N732 | D728-T730 PolarHBondContact O-N 3.27Å; T730-N732 VanDerWaalsContact C-N 3.31Å; T730-N732 PolarHBondContact O-N 2.84Å |
| 731 | S | 64.2 | Low | 84.7 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 43% | 0.434 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 69.8 | 13.4 | -175.3 | -56 | 0 | 0 | 0 | 0 | 117.1 | K727 D728 | K727-S731 WeakPolarHBondContact CE-OG 3.48Å; K727-S731 PolarHBondContact NZ-OG 3.26Å; D728-S731 PolarHBondContact O-N 3.4Å |
| 732 | N | 74.8 | Confident | 84.5 | Confident | 108 Ų | 108 | 48.6 Ų | 48.6 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | trans | -75.1 | 157.7 | 158.5 | -74.4 | -0.1 | 0 | 0 | 0 | 110.3 | D728 T730 | D728-N732 PolarHBondContact N-O 2.87Å; T730-N732 VanDerWaalsContact C-N 3.31Å; T730-N732 PolarHBondContact O-N 2.84Å | ||
| 733 | Y | 83.9 | Confident | 84.3 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 138 | 176.5 | -67.7 | -94.7 | 0 | 0 | 0 | 110.2 | A618 T645 I676 L725 V726 K727 | A618-Y733 HydrophobicContact CB-CD1 4.5Å; A618-Y733 HydrophobicContact CB-CD2 4.18Å; A618-Y733 HydrophobicContact CB-CE2 4.37Å; A618-Y733 HydrophobicContact CB-CG 4.24Å; T645-Y733 HydrophobicContact CG2-CD1 3.83Å; T645-Y733 HydrophobicContact CG2-CE1 3.52Å; I676-Y733 HydrophobicContact CD1-CD2 3.67Å; I676-Y733 HydrophobicContact CD1-CE2 4.34Å; I676-Y733 HydrophobicContact CD1-CG 4.44Å; I676-Y733 HydrophobicContact CG1-CD2 4.48Å; L725-Y733 HydrophobicContact CB-CD1 4.21Å; V726-Y733 WeakPolarHBondContact O-CA 3.33Å; K727-Y733 HydrophobicContact CB-CD1 3.93Å; K727-Y733 HydrophobicContact CB-CE1 3.74Å; K727-Y733 HydrophobicContact CD-CE1 4.32Å; K727-Y733 HydrophobicContact CG-CD1 4.34Å; K727-Y733 HydrophobicContact CG-CE1 3.98Å |
| 734 | T | 87.9 | Confident | 84 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 37% | 0.368 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154.7 | 179.9 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | L725 V726 D728 D736 | L725-T734 CarbonylContact C-O 3.57Å; L725-T734 VanDerWaalsContact CA-O 3.32Å; L725-T734 WeakPolarHBondContact CA-O 3.38Å; V726-T734 WeakPolarHBondContact CG1-OG1 3.31Å; V726-T734 PolarHBondContact N-O 3.29Å; V726-T734 PolarHBondContact O-N 3.22Å; D728-T734 VanDerWaalsContact OD2-CG2 3.25Å; D728-T734 WeakPolarHBondContact OD2-CG2 3.45Å; D728-T734 PolarHBondContact OD2-OG1 2.76Å; T734-D736 PolarHBondContact O-N 2.95Å |
| 735 | L | 89.1 | Confident | 83.7 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 124.8 | -177.7 | -73.7 | 168.4 | 0 | 0 | 0 | 111.3 | L616 V680 V723 L725 W737 | L616-L735 HydrophobicContact CD1-CD2 4.5Å; V680-L735 HydrophobicContact CG1-CD1 3.92Å; V723-L735 HydrophobicContact CB-CD2 3.71Å; V723-L735 HydrophobicContact CG1-CD2 4.11Å; V723-L735 HydrophobicContact CG2-CD2 3.66Å; L725-L735 HydrophobicContact CD2-CD2 3.97Å; L725-L735 HydrophobicContact CD2-CG 4.42Å; L735-W737 VanDerWaalsContact C-N 3.33Å; L735-W737 HydrophobicContact CB-CZ2 4.21Å; L735-W737 HydrophobicContact CD1-CH2 4.32Å; L735-W737 HydrophobicContact CD1-CZ2 3.61Å; L735-W737 PolarHBondContact O-N 3.47Å |
| 736 | D | 90.5 | Very high | 83.4 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | trans | -83.1 | 76.4 | -179.3 | -163 | -24.5 | 0 | 0 | 0 | 112 | Q644 P724 V726 T734 A738 F739 I740 | Q644-D736 PolarHBondContact NE2-OD2 3.47Å; P724-D736 HydrophobicContact CB-CB 4.35Å; P724-D736 HydrophobicContact CG-CB 4.41Å; P724-D736 PolarHBondContact O-N 2.68Å; V726-D736 HydrophobicContact CB-CB 4.37Å; T734-D736 PolarHBondContact O-N 2.95Å; D736-A738 PolarHBondContact O-N 3.47Å; D736-A738 PolarHBondContact OD1-N 3Å; D736-F739 HydrophobicContact CB-CB 4.05Å; D736-F739 PolarHBondContact O-N 3.36Å; D736-F739 WeakPolarHBondContact OD1-CB 3.47Å; D736-F739 PolarHBondContact OD1-N 3.39Å; D736-I740 WeakPolarHBondContact O-CG1 3.49Å; D736-I740 PolarHBondContact O-N 2.94Å; D736-I740 VanDerWaalsContact O-N 3.12Å | ||
| 737 | W | 89.6 | Confident | 83 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -28.3 | 176.3 | -64.3 | 109.3 | 0 | 0 | 0 | 113.5 | V682 Q686 I690 L735 I740 I741 | V682-W737 HydrophobicContact CG1-CH2 4.04Å; Q686-W737 HydrophobicContact CB-CH2 3.55Å; Q686-W737 HydrophobicContact CB-CZ2 4.33Å; Q686-W737 HydrophobicContact CB-CZ3 3.75Å; Q686-W737 HydrophobicContact CG-CE3 4.42Å; Q686-W737 HydrophobicContact CG-CH2 3.83Å; Q686-W737 HydrophobicContact CG-CZ2 4.22Å; Q686-W737 HydrophobicContact CG-CZ3 3.92Å; I690-W737 HydrophobicContact CD1-CH2 3.78Å; I690-W737 HydrophobicContact CD1-CZ3 4.18Å; I690-W737 HydrophobicContact CG1-CH2 4.21Å; I690-W737 HydrophobicContact CG1-CZ3 4.08Å; L735-W737 VanDerWaalsContact C-N 3.33Å; L735-W737 HydrophobicContact CB-CZ2 4.21Å; L735-W737 HydrophobicContact CD1-CH2 4.32Å; L735-W737 HydrophobicContact CD1-CZ2 3.61Å; L735-W737 PolarHBondContact O-N 3.47Å; W737-I740 HydrophobicContact CE3-CD1 3.93Å; W737-I740 HydrophobicContact CZ3-CD1 4.1Å; W737-I741 WeakPolarHBondContact O-CB 3.49Å; W737-I741 WeakPolarHBondContact O-CD1 3.36Å; W737-I741 VanDerWaalsContact O-CG1 3.22Å; W737-I741 WeakPolarHBondContact O-CG1 3.46Å; W737-I741 PolarHBondContact O-N 2.96Å; W737-I741 VanDerWaalsContact O-N 3.13Å |
| 738 | A | 88.6 | Confident | 82.9 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 59% | 0.587 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68.2 | -49.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.1 | D736 I741 E742 | D736-A738 PolarHBondContact O-N 3.47Å; D736-A738 PolarHBondContact OD1-N 3Å; A738-I741 PolarHBondContact O-N 2.94Å; A738-E742 WeakPolarHBondContact O-CB 3.46Å; A738-E742 PolarHBondContact O-N 2.7Å |
| 739 | F | 89.6 | Confident | 83.1 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.013 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 178 | -173.3 | -107.8 | 0 | 0 | 0 | 113.1 | F693 P724 D736 T743 P881 I882 M886 | F693-F739 HydrophobicContact CE2-CD1 4.19Å; F693-F739 HydrophobicContact CE2-CE1 4.06Å; F693-F739 HydrophobicContact CZ-CD1 4.34Å; F693-F739 HydrophobicContact CZ-CE1 4.07Å; P724-F739 HydrophobicContact CB-CD1 3.69Å; P724-F739 HydrophobicContact CB-CE1 4.14Å; P724-F739 HydrophobicContact CG-CD1 3.94Å; D736-F739 HydrophobicContact CB-CB 4.05Å; D736-F739 PolarHBondContact O-N 3.36Å; D736-F739 WeakPolarHBondContact OD1-CB 3.47Å; D736-F739 PolarHBondContact OD1-N 3.39Å; F739-T743 WeakPolarHBondContact O-CB 3.14Å; F739-T743 PolarHBondContact O-N 3.16Å; F739-T743 PolarHBondContact O-OG1 3.47Å; F739-P881 WeakPolarHBondContact CE2-O 3.22Å; F739-I882 HydrophobicContact CE1-CG1 4.45Å; F739-I882 HydrophobicContact CE2-CG1 4.38Å; F739-I882 HydrophobicContact CZ-CB 4.18Å; F739-I882 HydrophobicContact CZ-CG1 3.75Å; F739-I882 HydrophobicContact CZ-CG2 4.25Å; F739-M886 HydrophobicContact CE1-CE 4.17Å; F739-M886 HydrophobicContact CE1-CG 4.38Å; F739-M886 HydrophobicContact CZ-CG 4Å |
| 740 | I | 90.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.6 | -52.4 | 172.6 | -67.8 | 168.5 | 0 | 0 | 0 | 110.3 | L689 I690 F693 P724 D736 W737 E742 T743 I744 | L689-I740 HydrophobicContact CB-CG2 4.03Å; I690-I740 HydrophobicContact CG1-CD1 4.34Å; F693-I740 HydrophobicContact CB-CG2 4.26Å; F693-I740 HydrophobicContact CD2-CG1 4.48Å; F693-I740 HydrophobicContact CG-CG1 4.42Å; P724-I740 HydrophobicContact CG-CD1 3.9Å; P724-I740 HydrophobicContact CG-CG1 3.45Å; P724-I740 VanDerWaalsContact CG-CG1 3.45Å; D736-I740 WeakPolarHBondContact O-CG1 3.49Å; D736-I740 PolarHBondContact O-N 2.94Å; D736-I740 VanDerWaalsContact O-N 3.12Å; W737-I740 HydrophobicContact CE3-CD1 3.93Å; W737-I740 HydrophobicContact CZ3-CD1 4.1Å; I740-E742 PolarHBondContact O-N 3.44Å; I740-T743 PolarHBondContact O-N 3.21Å; I740-I744 HydrophobicContact CG2-CD1 3.63Å; I740-I744 WeakPolarHBondContact O-CD1 3.36Å; I740-I744 VanDerWaalsContact O-CG1 3.29Å; I740-I744 WeakPolarHBondContact O-CG1 3.48Å; I740-I744 PolarHBondContact O-N 2.84Å |
| 741 | I | 91.2 | Very high | 83.5 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.3 | -36.2 | -176 | -68.4 | 168 | 0 | 0 | 0 | 111.6 | L689 W737 A738 K745 | L689-I741 HydrophobicContact CD1-CG1 4.16Å; W737-I741 WeakPolarHBondContact O-CB 3.49Å; W737-I741 WeakPolarHBondContact O-CD1 3.36Å; W737-I741 VanDerWaalsContact O-CG1 3.22Å; W737-I741 WeakPolarHBondContact O-CG1 3.46Å; W737-I741 PolarHBondContact O-N 2.96Å; W737-I741 VanDerWaalsContact O-N 3.13Å; A738-I741 PolarHBondContact O-N 2.94Å; I741-K745 HydrophobicContact CG2-CD 4.12Å; I741-K745 WeakPolarHBondContact O-CB 3.45Å; I741-K745 VanDerWaalsContact O-CG 3.23Å; I741-K745 WeakPolarHBondContact O-CG 3.25Å; I741-K745 PolarHBondContact O-N 3.39Å; I741-K745 VanDerWaalsContact O-N 3.1Å |
| 742 | E | 88.8 | Confident | 83.7 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 175.3 | -173.5 | 164.3 | -140.8 | 0 | 0 | 111.5 | A738 I740 K745 F746 P881 | A738-E742 WeakPolarHBondContact O-CB 3.46Å; A738-E742 PolarHBondContact O-N 2.7Å; I740-E742 PolarHBondContact O-N 3.44Å; E742-K745 PolarHBondContact O-N 3.34Å; E742-F746 PolarHBondContact O-N 3.44Å; E742-P881 HydrophobicContact CG-CB 4.01Å |
| 743 | T | 88.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 178.8 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | F693 Y696 F739 I740 F746 T747 I882 | F693-T743 HydrophobicContact CD2-CG2 4.06Å; F693-T743 HydrophobicContact CE2-CG2 4.05Å; Y696-T743 HydrophobicContact CD1-CG2 3.8Å; Y696-T743 HydrophobicContact CE1-CG2 3.81Å; F739-T743 WeakPolarHBondContact O-CB 3.14Å; F739-T743 PolarHBondContact O-N 3.16Å; F739-T743 PolarHBondContact O-OG1 3.47Å; I740-T743 PolarHBondContact O-N 3.21Å; T743-F746 PolarHBondContact O-N 3.1Å; T743-T747 PolarHBondContact O-N 3.04Å; T743-T747 PolarHBondContact O-OG1 3.23Å; T743-I882 HydrophobicContact CG2-CD1 4.35Å; T743-I882 HydrophobicContact CG2-CG1 4.46Å |
| 744 | I | 87.3 | Confident | 83.5 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 178.7 | -65 | 163.7 | 0 | 0 | 0 | 111 | L689 Q692 F693 I740 F746 T747 S748 | L689-I744 HydrophobicContact CB-CD1 3.96Å; L689-I744 HydrophobicContact CD2-CD1 3.76Å; L689-I744 HydrophobicContact CG-CD1 4.48Å; L689-I744 VanDerWaalsContact O-CD1 3.23Å; L689-I744 WeakPolarHBondContact O-CD1 3.32Å; Q692-I744 HydrophobicContact CB-CD1 4.15Å; Q692-I744 HydrophobicContact CB-CG1 4.28Å; F693-I744 HydrophobicContact CB-CD1 4.3Å; F693-I744 HydrophobicContact CB-CG1 4.43Å; I740-I744 HydrophobicContact CG2-CD1 3.63Å; I740-I744 WeakPolarHBondContact O-CD1 3.36Å; I740-I744 VanDerWaalsContact O-CG1 3.29Å; I740-I744 WeakPolarHBondContact O-CG1 3.48Å; I740-I744 PolarHBondContact O-N 2.84Å; I744-F746 PolarHBondContact O-N 2.97Å; I744-T747 PolarHBondContact O-N 3.31Å; I744-S748 PolarHBondContact O-N 2.91Å |
| 745 | K | 87.3 | Confident | 83.2 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 54% | 0.543 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 173.6 | -80.2 | 174 | 179.2 | 177 | 0 | 111.9 | I741 E742 S748 Q749 | I741-K745 HydrophobicContact CG2-CD 4.12Å; I741-K745 WeakPolarHBondContact O-CB 3.45Å; I741-K745 VanDerWaalsContact O-CG 3.23Å; I741-K745 WeakPolarHBondContact O-CG 3.25Å; I741-K745 PolarHBondContact O-N 3.39Å; I741-K745 VanDerWaalsContact O-N 3.1Å; E742-K745 PolarHBondContact O-N 3.34Å; K745-S748 PolarHBondContact O-N 3.11Å; K745-S748 PolarHBondContact O-OG 3.5Å; K745-Q749 WeakPolarHBondContact O-CG 3.46Å; K745-Q749 PolarHBondContact O-NE2 3.03Å |
| 746 | F | 85.3 | Confident | 82.7 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 175.7 | -178.5 | -88.7 | 0 | 0 | 0 | 111.6 | E742 T743 I744 S748 Q749 L750 L752 M775 V878 V879 H880 P881 | E742-F746 PolarHBondContact O-N 3.44Å; T743-F746 PolarHBondContact O-N 3.1Å; I744-F746 PolarHBondContact O-N 2.97Å; F746-S748 VanDerWaalsContact C-N 3.28Å; F746-S748 PolarHBondContact O-N 3.4Å; F746-Q749 PolarHBondContact O-N 2.87Å; F746-L750 HydrophobicContact CD1-CD1 4.49Å; F746-L750 HydrophobicContact CD1-CG 4.5Å; F746-L750 HydrophobicContact CE1-CD1 4.26Å; F746-L750 HydrophobicContact CE1-CD2 3.82Å; F746-L750 HydrophobicContact CE1-CG 4.23Å; F746-L750 HydrophobicContact CZ-CD2 4.2Å; F746-L752 HydrophobicContact CD2-CD1 3.7Å; F746-L752 HydrophobicContact CE2-CD1 3.37Å; F746-L752 HydrophobicContact CG-CD1 4.45Å; F746-L752 HydrophobicContact CZ-CD1 3.85Å; F746-M775 HydrophobicContact CE1-CE 3.83Å; F746-M775 HydrophobicContact CZ-CE 3.75Å; F746-M775 HydrophobicContact CZ-SD 4.31Å; F746-V878 HydrophobicContact CE2-CG1 3.8Å; F746-V878 HydrophobicContact CZ-CG1 4.01Å; F746-V879 WeakPolarHBondContact CE2-O 3.28Å; F746-H880 AromaticContact CD1-NE2 3.96Å; F746-H880 AromaticContact CE1-CD2 3.39Å; F746-H880 WeakPolarHBondContact CE1-CD2 3.45Å; F746-H880 AromaticContact CE1-NE2 3.81Å; F746-H880 AromaticContact CZ-CD2 3.94Å; F746-P881 HydrophobicContact CB-CG 3.79Å; F746-P881 HydrophobicContact CD1-CG 4.22Å; F746-P881 HydrophobicContact CD2-CG 4.27Å; F746-P881 VanDerWaalsContact CG-CD 3.49Å; F746-P881 HydrophobicContact CG-CG 3.85Å |
| 747 | T | 80.5 | Confident | 82.3 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 28% | 0.282 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.8 | -43.3 | 176.7 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | Y696 T743 I744 Q749 L750 | Y696-T747 HydrophobicContact CD2-CG2 3.47Å; Y696-T747 VanDerWaalsContact CD2-CG2 3.47Å; Y696-T747 HydrophobicContact CE2-CG2 3.61Å; Y696-T747 WeakPolarHBondContact CE2-OG1 3.27Å; Y696-T747 HydrophobicContact CG-CG2 4.2Å; T743-T747 PolarHBondContact O-N 3.04Å; T743-T747 PolarHBondContact O-OG1 3.23Å; I744-T747 PolarHBondContact O-N 3.31Å; T747-Q749 PolarHBondContact O-N 3.35Å; T747-Q749 VanDerWaalsContact O-N 3.08Å; T747-L750 PolarHBondContact O-N 2.86Å |
| 748 | S | 78.9 | Confident | 82 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -3.3 | 178.1 | 72.4 | 0 | 0 | 0 | 0 | 115.6 | I744 K745 F746 | I744-S748 PolarHBondContact O-N 2.91Å; K745-S748 PolarHBondContact O-N 3.11Å; K745-S748 PolarHBondContact O-OG 3.5Å; F746-S748 VanDerWaalsContact C-N 3.28Å; F746-S748 PolarHBondContact O-N 3.4Å |
| 749 | Q | 77.9 | Confident | 81.9 | Confident | 109 Ų | 109 | 70.3 Ų | 70.3 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -4.1 | 179.3 | -65.1 | 168.8 | 19.2 | 0 | 0 | 113.3 | K745 F746 T747 P751 L752 | K745-Q749 WeakPolarHBondContact O-CG 3.46Å; K745-Q749 PolarHBondContact O-NE2 3.03Å; F746-Q749 PolarHBondContact O-N 2.87Å; T747-Q749 PolarHBondContact O-N 3.35Å; T747-Q749 VanDerWaalsContact O-N 3.08Å; Q749-P751 CarbonylContact O-C 3.56Å; Q749-L752 HydrophobicContact CB-CD1 4.21Å; Q749-L752 HydrophobicContact CB-CD2 3.91Å; Q749-L752 HydrophobicContact CB-CG 3.98Å |
| 750 | L | 73.4 | Confident | 81.6 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | trans | -72.1 | 143.2 | -178 | -70.6 | 172 | 0 | 0 | 0 | 112.1 | Y696 F746 T747 M775 | Y696-L750 HydrophobicContact CE2-CD1 4.46Å; F746-L750 HydrophobicContact CD1-CD1 4.49Å; F746-L750 HydrophobicContact CD1-CG 4.5Å; F746-L750 HydrophobicContact CE1-CD1 4.26Å; F746-L750 HydrophobicContact CE1-CD2 3.82Å; F746-L750 HydrophobicContact CE1-CG 4.23Å; F746-L750 HydrophobicContact CZ-CD2 4.2Å; T747-L750 PolarHBondContact O-N 2.86Å; L750-M775 HydrophobicContact CD2-CE 4.36Å; L750-M775 HydrophobicContact CD2-SD 4.03Å | ||
| 751 | P | 66.1 | Low | 81.4 | Confident | 125 Ų | 125 | 82.1 Ų | 82.1 | 81% | 0.812 | 42% | 0.416 | S | S | * | . | S | Bend | cis | -80.8 | 123 | -4.2 | 31.8 | -33.2 | 0 | 0 | 0 | 112.6 | Q749 R753 | Q749-P751 CarbonylContact O-C 3.56Å; P751-R753 PolarHBondContact O-N 3.14Å; P751-R753 VanDerWaalsContact O-N 3.11Å |
| 752 | L | 69.2 | Low | 81.2 | Confident | 49 Ų | 49 | 81.5 Ų | 81.5 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | trans | -73.5 | 101 | 176.8 | -83.1 | 159.3 | 0 | 0 | 0 | 110.8 | F746 Q749 W777 V878 | F746-L752 HydrophobicContact CD2-CD1 3.7Å; F746-L752 HydrophobicContact CE2-CD1 3.37Å; F746-L752 HydrophobicContact CG-CD1 4.45Å; F746-L752 HydrophobicContact CZ-CD1 3.85Å; Q749-L752 HydrophobicContact CB-CD1 4.21Å; Q749-L752 HydrophobicContact CB-CD2 3.91Å; Q749-L752 HydrophobicContact CB-CG 3.98Å; L752-W777 WeakPolarHBondContact O-CB 3.2Å; L752-V878 HydrophobicContact CB-CG1 4.28Å; L752-V878 HydrophobicContact CB-CG2 4.11Å; L752-V878 HydrophobicContact CD1-CG1 4.08Å | ||
| 753 | R | 76.5 | Confident | 81 | Confident | 181 Ų | 181 | 85.4 Ų | 85.4 | 68% | 0.683 | 43% | 0.426 | S | S | * | . | trans | -107.4 | 109 | 167.2 | -175.1 | 172.2 | -176.7 | 161.4 | 1.4 | 109.1 | P751 W777 | P751-R753 PolarHBondContact O-N 3.14Å; P751-R753 VanDerWaalsContact O-N 3.11Å; R753-W777 HydrophobicContact CG-CE3 3.96Å; R753-W777 HydrophobicContact CG-CZ3 4.37Å | ||
| 754 | P | 77.4 | Confident | 81 | Confident | 40 Ų | 40 | 87.2 Ų | 87.2 | 26% | 0.26 | 43% | 0.434 | S | S | . | . | trans | -58.4 | 147.7 | 179.8 | -24.9 | 34.5 | 0 | 0 | 0 | 112.8 | R759 V878 | P754-R759 HydrophobicContact CB-CG 4.16Å; P754-V878 HydrophobicContact CG-CG2 4.46Å | ||
| 755 | A | 80.8 | Confident | 81 | Confident | 44 Ų | 44 | 88.3 Ų | 88.3 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | trans | -68.7 | 155.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E757 E758 R759 | A755-E757 VanDerWaalsContact C-N 3.28Å; A755-E757 PolarHBondContact O-N 3.3Å; A755-E758 HydrophobicContact CB-CB 4.44Å; A755-E758 HydrophobicContact CB-CG 4.03Å; A755-E758 PolarHBondContact N-OE2 2.71Å; A755-E758 WeakPolarHBondContact O-CB 3.5Å; A755-E758 PolarHBondContact O-N 3.17Å; A755-E758 VanDerWaalsContact O-N 3.14Å; A755-R759 PolarHBondContact O-N 3.4Å | ||
| 756 | E | 80 | Confident | 81 | Confident | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.8 | -29.8 | -175.5 | -154.8 | -176.8 | 111.2 | 0 | 0 | 111.8 | K760 | E756-K760 WeakPolarHBondContact O-CD 3.33Å; E756-K760 VanDerWaalsContact O-CG 3.27Å; E756-K760 WeakPolarHBondContact O-CG 3.18Å; E756-K760 PolarHBondContact O-N 2.7Å; E756-K760 VanDerWaalsContact O-N 3.09Å; E756-K760 WeakPolarHBondContact OE1-CE 3.32Å; E756-K760 IonicContact OE1-NZ 2.88Å; E756-K760 PolarHBondContact OE1-NZ 3.07Å |
| 757 | E | 82.3 | Confident | 81.1 | Confident | 133 Ų | 133 | 93 Ų | 93 | 62% | 0.621 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | 170.5 | -61.6 | 79.2 | -176.1 | 0 | 0 | 112.2 | A755 K760 L761 | A755-E757 VanDerWaalsContact C-N 3.28Å; A755-E757 PolarHBondContact O-N 3.3Å; E757-K760 PolarHBondContact O-N 3.1Å; E757-L761 WeakPolarHBondContact O-CG 3.3Å; E757-L761 PolarHBondContact O-N 2.96Å |
| 758 | E | 81.8 | Confident | 81.4 | Confident | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.8 | -41.3 | 177.3 | -65.5 | 175.7 | 141.7 | 0 | 0 | 111 | A755 K760 L761 F762 | A755-E758 HydrophobicContact CB-CB 4.44Å; A755-E758 HydrophobicContact CB-CG 4.03Å; A755-E758 PolarHBondContact N-OE2 2.71Å; A755-E758 WeakPolarHBondContact O-CB 3.5Å; A755-E758 PolarHBondContact O-N 3.17Å; A755-E758 VanDerWaalsContact O-N 3.14Å; E758-K760 PolarHBondContact O-N 3.37Å; E758-L761 CarbonylContact O-C 3.43Å; E758-L761 PolarHBondContact O-N 3.06Å; E758-L761 VanDerWaalsContact O-N 3.13Å; E758-F762 PolarHBondContact O-N 3.17Å; E758-F762 VanDerWaalsContact O-N 3.11Å |
| 759 | R | 87.1 | Confident | 81.9 | Confident | 20 Ų | 20 | 93.5 Ų | 93.5 | 8% | 0.075 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 173.7 | -71.3 | -174.2 | 59.4 | -139.3 | -8.6 | 112.4 | P754 A755 L761 F762 E821 Y823 E875 | P754-R759 HydrophobicContact CB-CG 4.16Å; A755-R759 PolarHBondContact O-N 3.4Å; R759-L761 PolarHBondContact O-N 3.33Å; R759-F762 WeakPolarHBondContact O-CB 3.48Å; R759-F762 PolarHBondContact O-N 3.26Å; R759-F762 VanDerWaalsContact O-N 3.09Å; R759-E821 PolarHBondContact NH2-O 2.96Å; R759-Y823 HydrophobicContact CB-CD2 3.84Å; R759-Y823 HydrophobicContact CB-CE2 3.86Å; R759-E875 IonicContact CZ-OE1 2.73Å; R759-E875 IonicContact NE-OE1 2.67Å; R759-E875 PolarHBondContact NE-OE1 3.21Å; R759-E875 IonicContact NH2-OE1 2.71Å; R759-E875 PolarHBondContact NH2-OE1 2.99Å |
| 760 | K | 83.1 | Confident | 82.3 | Confident | 106 Ų | 106 | 93.7 Ų | 93.7 | 46% | 0.461 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.4 | -17.8 | 175.9 | -72.1 | 163.5 | -171.5 | 163.8 | 0 | 113.6 | E756 E757 E758 Y823 | E756-K760 WeakPolarHBondContact O-CD 3.33Å; E756-K760 VanDerWaalsContact O-CG 3.27Å; E756-K760 WeakPolarHBondContact O-CG 3.18Å; E756-K760 PolarHBondContact O-N 2.7Å; E756-K760 VanDerWaalsContact O-N 3.09Å; E756-K760 WeakPolarHBondContact OE1-CE 3.32Å; E756-K760 IonicContact OE1-NZ 2.88Å; E756-K760 PolarHBondContact OE1-NZ 3.07Å; E757-K760 PolarHBondContact O-N 3.1Å; E758-K760 PolarHBondContact O-N 3.37Å; K760-Y823 HydrophobicContact CB-CD2 4.47Å; K760-Y823 WeakPolarHBondContact CE-OH 3.43Å; K760-Y823 HydrophobicContact CG-CD1 3.98Å; K760-Y823 HydrophobicContact CG-CD2 3.75Å; K760-Y823 HydrophobicContact CG-CE1 3.92Å; K760-Y823 HydrophobicContact CG-CE2 3.65Å; K760-Y823 HydrophobicContact CG-CG 3.9Å |
| 761 | L | 86.6 | Confident | 82.9 | Confident | 146 Ų | 146 | 92.9 Ų | 92.9 | 76% | 0.764 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 6.9 | 174.2 | -67.2 | 170.8 | 0 | 0 | 0 | 112.8 | E757 E758 R759 K763 | E757-L761 WeakPolarHBondContact O-CG 3.3Å; E757-L761 PolarHBondContact O-N 2.96Å; E758-L761 CarbonylContact O-C 3.43Å; E758-L761 PolarHBondContact O-N 3.06Å; E758-L761 VanDerWaalsContact O-N 3.13Å; R759-L761 PolarHBondContact O-N 3.33Å; L761-K763 PolarHBondContact O-N 2.96Å |
| 762 | F | 86.6 | Confident | 84.1 | Confident | 54 Ų | 54 | 87.2 Ų | 87.2 | 24% | 0.237 | 42% | 0.418 | C | S | . | . | trans | -63.3 | 127.7 | -178.7 | -178.3 | -95.5 | 0 | 0 | 0 | 111.2 | E758 R759 F764 Y769 C824 P874 E875 | E758-F762 PolarHBondContact O-N 3.17Å; E758-F762 VanDerWaalsContact O-N 3.11Å; R759-F762 WeakPolarHBondContact O-CB 3.48Å; R759-F762 PolarHBondContact O-N 3.26Å; R759-F762 VanDerWaalsContact O-N 3.09Å; F762-F764 HydrophobicContact CE1-CB 4.14Å; F762-Y769 WeakPolarHBondContact CZ-OH 3.39Å; F762-C824 HydrophobicContact CD1-CB 3.82Å; F762-P874 HydrophobicContact CE1-CB 4.08Å; F762-P874 HydrophobicContact CZ-CB 3.73Å; F762-E875 HydrophobicContact CB-CG 3.99Å; F762-E875 HydrophobicContact CD1-CB 3.8Å; F762-E875 HydrophobicContact CD1-CG 3.95Å; F762-E875 HydrophobicContact CD2-CG 4.43Å; F762-E875 HydrophobicContact CE1-CB 3.95Å; F762-E875 HydrophobicContact CG-CB 4.12Å; F762-E875 HydrophobicContact CG-CG 3.87Å; F762-E875 HydrophobicContact CZ-CB 4.39Å | ||
| 763 | K | 85.7 | Confident | 85 | Confident | 184 Ų | 184 | 84.9 Ų | 84.9 | 80% | 0.8 | 41% | 0.406 | S | S | * | . | trans | -122.8 | 117.8 | 173.1 | -175.2 | 177.8 | 179.8 | -179.2 | 0 | 109.4 | L761 | L761-K763 PolarHBondContact O-N 2.96Š| ||
| 764 | F | 87.1 | Confident | 85.7 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 17% | 0.171 | 37% | 0.373 | C | S | . | . | trans | -61.3 | 143.1 | 176.8 | -177.4 | -117.9 | 0 | 0 | 0 | 112.1 | F762 I766 Y769 I792 Q827 A828 P874 | F762-F764 HydrophobicContact CE1-CB 4.14Å; F764-I766 HydrophobicContact CD1-CG1 4.48Å; F764-I766 HydrophobicContact CE1-CD1 4.49Å; F764-I766 HydrophobicContact CE1-CG1 3.57Å; F764-I766 HydrophobicContact CZ-CG1 3.9Å; F764-Y769 HydrophobicContact CD2-CD2 4.28Å; F764-Y769 HydrophobicContact CD2-CE2 4.01Å; F764-Y769 AromaticContact CE2-CD2 3.7Å; F764-Y769 HydrophobicContact CE2-CD2 3.7Å; F764-Y769 AromaticContact CE2-CE2 3.88Å; F764-Y769 HydrophobicContact CE2-CE2 3.88Å; F764-I792 HydrophobicContact CZ-CG2 3.92Å; F764-Q827 HydrophobicContact CB-CB 3.76Å; F764-Q827 HydrophobicContact CD1-CB 4.43Å; F764-Q827 HydrophobicContact CD2-CB 4.36Å; F764-Q827 HydrophobicContact CG-CB 3.93Å; F764-A828 HydrophobicContact CD1-CB 4.37Å; F764-A828 HydrophobicContact CE1-CB 3.55Å; F764-A828 HydrophobicContact CZ-CB 3.82Å; F764-P874 HydrophobicContact CD2-CB 3.59Å; F764-P874 HydrophobicContact CD2-CG 3.54Å; F764-P874 HydrophobicContact CE2-CB 3.82Å; F764-P874 HydrophobicContact CE2-CG 3.43Å; F764-P874 VanDerWaalsContact CE2-CG 3.43Å; F764-P874 HydrophobicContact CZ-CG 4.38Å | ||
| 765 | C | 88.5 | Confident | 86.1 | Confident | 48 Ų | 48 | 75 Ų | 75 | 32% | 0.324 | 36% | 0.364 | S | S | . | . | trans | -153.2 | 107.6 | -177 | 178 | 0 | 0 | 0 | 0 | 108.8 | E767 K768 Y769 | C765-E767 VanDerWaalsContact C-N 3.27Å; C765-E767 PolarHBondContact O-N 3.45Å; C765-K768 HydrophobicContact CB-CD 4.45Å; C765-K768 HydrophobicContact CB-CG 4.39Å; C765-K768 PolarHBondContact O-N 3.39Å; C765-K768 VanDerWaalsContact O-N 3.13Å; C765-Y769 WeakPolarHBondContact O-CD2 3.38Å | ||
| 766 | I | 86.5 | Confident | 86.4 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -54.7 | -42.6 | -173 | -63.3 | 171.7 | 0 | 0 | 0 | 111.5 | F764 K768 Y769 I770 I792 T794 | F764-I766 HydrophobicContact CD1-CG1 4.48Å; F764-I766 HydrophobicContact CE1-CD1 4.49Å; F764-I766 HydrophobicContact CE1-CG1 3.57Å; F764-I766 HydrophobicContact CZ-CG1 3.9Å; I766-K768 PolarHBondContact O-N 3.02Å; I766-Y769 PolarHBondContact O-N 3.45Å; I766-I770 HydrophobicContact CG2-CD1 4.15Å; I766-I770 HydrophobicContact CG2-CG1 4.25Å; I766-I770 PolarHBondContact O-N 2.93Å; I766-I792 HydrophobicContact CG2-CD1 3.82Å; I766-T794 HydrophobicContact CD1-CG2 4.27Å |
| 767 | E | 87 | Confident | 86.7 | Confident | 166 Ų | 166 | 69.6 Ų | 69.6 | 78% | 0.776 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -55.4 | -24.6 | -179 | -62.9 | 174.5 | -172.7 | 0 | 0 | 114.4 | C765 | C765-E767 VanDerWaalsContact C-N 3.27Å; C765-E767 PolarHBondContact O-N 3.45Å |
| 768 | K | 86.7 | Confident | 86.6 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -80.2 | -15 | 177.6 | -69.9 | -171.3 | 173.6 | -172.8 | 0 | 114.6 | C765 I766 | C765-K768 HydrophobicContact CB-CD 4.45Å; C765-K768 HydrophobicContact CB-CG 4.39Å; C765-K768 PolarHBondContact O-N 3.39Å; C765-K768 VanDerWaalsContact O-N 3.13Å; I766-K768 PolarHBondContact O-N 3.02Å |
| 769 | Y | 89.1 | Confident | 86.4 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -8.7 | -173.8 | -62.6 | -84.7 | 0 | 0 | 0 | 113 | F762 F764 C765 I766 D771 A772 V774 V789 L830 P874 V877 V879 | F762-Y769 WeakPolarHBondContact CZ-OH 3.39Å; F764-Y769 HydrophobicContact CD2-CD2 4.28Å; F764-Y769 HydrophobicContact CD2-CE2 4.01Å; F764-Y769 AromaticContact CE2-CD2 3.7Å; F764-Y769 HydrophobicContact CE2-CD2 3.7Å; F764-Y769 AromaticContact CE2-CE2 3.88Å; F764-Y769 HydrophobicContact CE2-CE2 3.88Å; C765-Y769 WeakPolarHBondContact O-CD2 3.38Å; I766-Y769 PolarHBondContact O-N 3.45Å; Y769-D771 PolarHBondContact O-N 3.42Å; Y769-A772 WeakPolarHBondContact O-CB 3.5Å; Y769-A772 PolarHBondContact O-N 2.96Å; Y769-V774 HydrophobicContact CD1-CG1 4.06Å; Y769-V774 HydrophobicContact CE1-CG1 4.3Å; Y769-V789 WeakPolarHBondContact O-CG1 3.44Å; Y769-L830 HydrophobicContact CD1-CD1 3.55Å; Y769-L830 HydrophobicContact CD1-CD2 3.99Å; Y769-L830 HydrophobicContact CD1-CG 4.42Å; Y769-L830 HydrophobicContact CE1-CD1 3.83Å; Y769-L830 HydrophobicContact CG-CD1 4.31Å; Y769-L830 HydrophobicContact CG-CD2 3.89Å; Y769-P874 HydrophobicContact CE1-CB 4.19Å; Y769-P874 HydrophobicContact CE2-CB 3.99Å; Y769-P874 PolarHBondContact OH-O 3.09Å; Y769-V877 HydrophobicContact CE1-CG2 4.05Å; Y769-V879 HydrophobicContact CD1-CG2 3.88Å; Y769-V879 HydrophobicContact CE1-CG2 3.49Å; Y769-V879 VanDerWaalsContact CE1-CG2 3.49Å |
| 770 | I | 87.7 | Confident | 85 | Confident | 112 Ų | 112 | 66 Ų | 66 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 130.5 | 166.9 | -63.3 | 172.6 | 0 | 0 | 0 | 108.7 | I766 A772 I792 | I766-I770 HydrophobicContact CG2-CD1 4.15Å; I766-I770 HydrophobicContact CG2-CG1 4.25Å; I766-I770 PolarHBondContact O-N 2.93Å; I770-A772 PolarHBondContact O-N 3.07Å; I770-I792 HydrophobicContact CG1-CD1 4.25Å |
| 771 | D | 86.4 | Confident | 83.7 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 30.6 | -179.1 | -164.4 | 27.2 | 0 | 0 | 0 | 113.8 | Y769 S883 S884 S885 | Y769-D771 PolarHBondContact O-N 3.42Å; D771-S883 CarbonylContact O-C 3.59Å; D771-S883 WeakPolarHBondContact O-CA 3.15Å; D771-S883 VanDerWaalsContact O-CB 3.22Å; D771-S883 WeakPolarHBondContact O-CB 3.45Å; D771-S884 PolarHBondContact O-N 3.08Å; D771-S884 WeakPolarHBondContact OD1-CB 3.44Å; D771-S884 PolarHBondContact OD1-N 3.31Å; D771-S885 VanDerWaalsContact CG-OG 3.29Å; D771-S885 WeakPolarHBondContact OD1-CB 3.49Å; D771-S885 PolarHBondContact OD1-N 3.42Å; D771-S885 PolarHBondContact OD1-OG 3.06Å; D771-S885 WeakPolarHBondContact OD2-CB 3.46Å; D771-S885 PolarHBondContact OD2-OG 3.33Å |
| 772 | A | 89.8 | Confident | 82.2 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 149 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y769 I770 V774 V789 V879 | Y769-A772 WeakPolarHBondContact O-CB 3.5Å; Y769-A772 PolarHBondContact O-N 2.96Å; I770-A772 PolarHBondContact O-N 3.07Å; A772-V774 HydrophobicContact CB-CG1 4.46Å; A772-V789 HydrophobicContact CB-CG2 4.3Å; A772-V789 PolarHBondContact O-N 2.94Å; A772-V879 HydrophobicContact CB-CG1 4.15Å |
| 773 | V | 89.4 | Confident | 81 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136 | 160.1 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | F786 Y787 H880 W887 | V773-F786 HydrophobicContact CG1-CB 3.96Å; V773-Y787 CarbonylContact C-O 3.5Å; V773-Y787 WeakPolarHBondContact CA-O 3.38Å; V773-H880 HydrophobicContact CB-CB 4.21Å; V773-H880 HydrophobicContact CG1-CB 4.45Å; V773-H880 WeakPolarHBondContact O-CB 3.42Å; V773-H880 PolarHBondContact O-N 3.18Å; V773-W887 HydrophobicContact CB-CE3 4.05Å; V773-W887 HydrophobicContact CB-CZ3 4.46Å; V773-W887 HydrophobicContact CG1-CD2 4.17Å; V773-W887 HydrophobicContact CG1-CE3 3.84Å; V773-W887 HydrophobicContact CG1-CH2 4.38Å; V773-W887 HydrophobicContact CG1-CZ3 3.96Å; V773-W887 HydrophobicContact CG2-CB 3.86Å; V773-W887 HydrophobicContact CG2-CD2 3.92Å; V773-W887 HydrophobicContact CG2-CE3 3.76Å; V773-W887 HydrophobicContact CG2-CG 3.98Å |
| 774 | V | 90.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.2 | -174.9 | -62 | 0 | 0 | 0 | 0 | 112 | Y769 A772 Y787 V789 L830 V832 L872 V877 V878 V879 | Y769-V774 HydrophobicContact CD1-CG1 4.06Å; Y769-V774 HydrophobicContact CE1-CG1 4.3Å; A772-V774 HydrophobicContact CB-CG1 4.46Å; V774-Y787 PolarHBondContact N-O 3.49Å; V774-Y787 PolarHBondContact O-N 3.3Å; V774-V789 HydrophobicContact CG1-CG2 3.88Å; V774-V789 HydrophobicContact CG2-CG2 4.08Å; V774-L830 HydrophobicContact CG1-CD1 4.43Å; V774-V832 HydrophobicContact CG2-CG1 4.18Å; V774-L872 HydrophobicContact CG2-CD1 4.46Å; V774-V877 HydrophobicContact CB-CB 4.04Å; V774-V877 HydrophobicContact CB-CG2 3.97Å; V774-V877 HydrophobicContact CG1-CG2 4.12Å; V774-V877 HydrophobicContact CG2-CG1 4.49Å; V774-V877 HydrophobicContact CG2-CG2 4.45Å; V774-V878 CarbonylContact C-O 3.6Å; V774-V878 WeakPolarHBondContact CA-O 3.3Å; V774-V879 HydrophobicContact CG1-CG2 4.21Å |
| 775 | M | 86.7 | Confident | 79.3 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.064 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.5 | 176 | 63.6 | 178.6 | 68.6 | 0 | 0 | 111.5 | F746 L750 W777 F786 V877 V878 | F746-M775 HydrophobicContact CE1-CE 3.83Å; F746-M775 HydrophobicContact CZ-CE 3.75Å; F746-M775 HydrophobicContact CZ-SD 4.31Å; L750-M775 HydrophobicContact CD2-CE 4.36Å; L750-M775 HydrophobicContact CD2-SD 4.03Å; M775-W777 PolarHBondContact O-N 3.3Å; M775-F786 HydrophobicContact CE-CD1 4.05Å; M775-F786 HydrophobicContact CE-CE1 3.65Å; M775-V877 CarbonylContact O-C 3.6Å; M775-V877 WeakPolarHBondContact O-CA 3.47Å; M775-V877 WeakPolarHBondContact O-CB 3.29Å; M775-V878 HydrophobicContact CG-CB 3.86Å; M775-V878 PolarHBondContact N-O 2.74Å; M775-V878 PolarHBondContact O-N 2.9Å; M775-V878 HydrophobicContact SD-CB 4.48Å |
| 776 | P | 87.4 | Confident | 79.2 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 105 | 175.4 | 28.3 | -32 | 0 | 0 | 0 | 111.2 | Y778 R779 Y787 V877 | P776-Y778 HydrophobicContact CB-CD1 3.86Å; P776-Y778 HydrophobicContact CB-CE1 3.34Å; P776-Y778 HydrophobicContact CB-CE2 4.48Å; P776-Y778 PolarHBondContact O-N 2.98Å; P776-R779 HydrophobicContact CB-CG 4.28Å; P776-R779 HydrophobicContact CG-CB 4.44Å; P776-R779 HydrophobicContact CG-CG 4.09Å; P776-R779 PolarHBondContact O-N 3.45Å; P776-R779 VanDerWaalsContact O-N 3.14Å; P776-Y787 HydrophobicContact CG-CD2 4.31Å; P776-Y787 HydrophobicContact CG-CE2 3.86Å; P776-V877 HydrophobicContact CB-CG1 4.37Å |
| 777 | W | 84.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.6 | -174.8 | 58.6 | -105.5 | 0 | 0 | 0 | 114.4 | L752 R753 M775 L820 E875 L876 V878 | L752-W777 WeakPolarHBondContact O-CB 3.2Å; R753-W777 HydrophobicContact CG-CE3 3.96Å; R753-W777 HydrophobicContact CG-CZ3 4.37Å; M775-W777 PolarHBondContact O-N 3.3Å; W777-L820 HydrophobicContact CH2-CD1 4.14Å; W777-L820 HydrophobicContact CH2-CD2 3.85Å; W777-L820 HydrophobicContact CZ3-CD2 4.31Å; W777-E875 PolarHBondContact NE1-O 3.3Å; W777-L876 HydrophobicContact CH2-CD2 4.48Å; W777-L876 HydrophobicContact CZ2-CD2 3.78Å; W777-V878 HydrophobicContact CB-CG2 4.24Å |
| 778 | Y | 81.7 | Confident | 79.2 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.9 | 178.8 | 64.3 | -92.6 | 0 | 0 | 0 | 114.3 | P776 V780 Y814 Y818 L820 L876 | P776-Y778 HydrophobicContact CB-CD1 3.86Å; P776-Y778 HydrophobicContact CB-CE1 3.34Å; P776-Y778 HydrophobicContact CB-CE2 4.48Å; P776-Y778 PolarHBondContact O-N 2.98Å; Y778-V780 PolarHBondContact O-N 2.95Å; Y778-Y814 HydrophobicContact CE1-CE1 4.04Å; Y778-Y814 HydrophobicContact CE2-CE1 4.13Å; Y778-Y814 AromaticContact CZ-CE1 3.63Å; Y778-Y814 WeakPolarHBondContact OH-CE1 3.13Å; Y778-Y814 PolarHBondContact OH-OH 3.36Å; Y778-Y818 AromaticContact CD2-CD1 3.81Å; Y778-Y818 HydrophobicContact CD2-CD1 3.81Å; Y778-Y818 AromaticContact CD2-CE1 3.88Å; Y778-Y818 HydrophobicContact CD2-CE1 3.88Å; Y778-Y818 HydrophobicContact CD2-CG 4.17Å; Y778-Y818 HydrophobicContact CE2-CD1 4.16Å; Y778-Y818 HydrophobicContact CE2-CD2 4.41Å; Y778-Y818 AromaticContact CE2-CE1 3.85Å; Y778-Y818 HydrophobicContact CE2-CE1 3.85Å; Y778-Y818 HydrophobicContact CE2-CE2 4.12Å; Y778-Y818 HydrophobicContact CE2-CG 4.42Å; Y778-Y818 AromaticContact CE2-CZ 3.83Å; Y778-L820 HydrophobicContact CD1-CD1 4.31Å; Y778-L820 HydrophobicContact CG-CD1 3.97Å; Y778-L876 HydrophobicContact CD1-CB 4.13Å; Y778-L876 HydrophobicContact CE1-CB 4.05Å |
| 779 | R | 76 | Confident | 79.3 | Confident | 60 Ų | 60 | 38.2 Ų | 38.2 | 23% | 0.226 | 24% | 0.235 | C | C | . | . | trans | -94.1 | 81.8 | -179.5 | -60.4 | -169.5 | -169.4 | 174.4 | 4.9 | 111.4 | P776 Y787 | P776-R779 HydrophobicContact CB-CG 4.28Å; P776-R779 HydrophobicContact CG-CB 4.44Å; P776-R779 HydrophobicContact CG-CG 4.09Å; P776-R779 PolarHBondContact O-N 3.45Å; P776-R779 VanDerWaalsContact O-N 3.14Å; R779-Y787 PolarHBondContact NH1-OH 3.49Å | ||
| 780 | V | 58.5 | Low | 79.1 | Confident | 111 Ų | 111 | 40.7 Ų | 40.7 | 67% | 0.673 | 25% | 0.248 | S | C | * | . | trans | -82.4 | -27.4 | -174.1 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | Y778 G782 | Y778-V780 PolarHBondContact O-N 2.95Å; V780-G782 VanDerWaalsContact C-N 3.34Å; V780-G782 PolarHBondContact O-N 3.19Å; V780-G782 VanDerWaalsContact O-N 3.15Å | ||
| 781 | S | 56.1 | Low | 79 | Confident | 134 Ų | 134 | 40 Ų | 40 | 94% | 0.937 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | 7.3 | -160 | -41.8 | 0 | 0 | 0 | 0 | 117.5 | ||
| 782 | G | 54.1 | Low | 79.1 | Confident | 54 Ų | 54 | 38.9 Ų | 38.9 | 56% | 0.557 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -154.8 | 14.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | V780 | V780-G782 VanDerWaalsContact C-N 3.34Å; V780-G782 PolarHBondContact O-N 3.19Å; V780-G782 VanDerWaalsContact O-N 3.15Å |
| 783 | G | 60.7 | Low | 79 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | trans | 84.2 | 163.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H785 | G783-H785 PolarHBondContact O-CD2 3.19Å; G783-H785 PolarHBondContact O-N 2.95Å | ||
| 784 | A | 63.6 | Low | 78.9 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | trans | -74.7 | 97.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R703 F786 | R703-A784 PolarHBondContact NH2-O 3.09Å; A784-F786 HydrophobicContact CB-CZ 4.47Å; A784-F786 WeakPolarHBondContact O-CD2 3.36Å; A784-F786 WeakPolarHBondContact O-CE2 3.47Å; A784-F786 PolarHBondContact O-N 3.27Å | ||
| 785 | H | 75.5 | Confident | 78.6 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | trans | -70.2 | 126.4 | 174.5 | -66.4 | -84.6 | 0 | 0 | 0 | 111.2 | G783 Y787 Y834 | G783-H785 PolarHBondContact O-CD2 3.19Å; G783-H785 PolarHBondContact O-N 2.95Å; H785-Y787 HydrophobicContact CB-CD2 4.44Å; H785-Y787 HydrophobicContact CB-CE2 3.64Å; H785-Y834 HydrophobicContact CB-CE2 4.17Å; H785-Y834 AromaticContact ND1-CE2 3.61Å; H785-Y834 AromaticContact ND1-CZ 3.75Å; H785-Y834 PolarHBondContact ND1-OH 3.36Å | ||
| 786 | F | 84.8 | Confident | 78.6 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | trans | -97.7 | 133.9 | 179.5 | -52.7 | -76.7 | 0 | 0 | 0 | 110.4 | E700 V773 M775 A784 S835 W887 | E700-F786 WeakPolarHBondContact O-CE2 3.27Å; V773-F786 HydrophobicContact CG1-CB 3.96Å; M775-F786 HydrophobicContact CE-CD1 4.05Å; M775-F786 HydrophobicContact CE-CE1 3.65Å; A784-F786 HydrophobicContact CB-CZ 4.47Å; A784-F786 WeakPolarHBondContact O-CD2 3.36Å; A784-F786 WeakPolarHBondContact O-CE2 3.47Å; A784-F786 PolarHBondContact O-N 3.27Å; F786-S835 PolarHBondContact O-N 2.88Å; F786-S835 PolarHBondContact O-OG 2.56Å; F786-W887 HydrophobicContact CB-CH2 3.83Å; F786-W887 HydrophobicContact CB-CZ2 3.6Å; F786-W887 AromaticContact CD1-CH2 3.39Å; F786-W887 HydrophobicContact CD1-CH2 3.39Å; F786-W887 HydrophobicContact CD1-CZ2 4.04Å; F786-W887 HydrophobicContact CD1-CZ3 4.14Å; F786-W887 AromaticContact CD2-CH2 3.59Å; F786-W887 HydrophobicContact CD2-CH2 3.59Å; F786-W887 AromaticContact CD2-CZ2 3.51Å; F786-W887 HydrophobicContact CD2-CZ2 3.51Å; F786-W887 AromaticContact CE1-CH2 3.71Å; F786-W887 HydrophobicContact CE1-CH2 3.71Å; F786-W887 HydrophobicContact CE1-CZ3 4.47Å; F786-W887 AromaticContact CE2-CH2 3.91Å; F786-W887 HydrophobicContact CE2-CH2 3.91Å; F786-W887 HydrophobicContact CE2-CZ2 4.13Å; F786-W887 AromaticContact CG-CH2 3.32Å; F786-W887 HydrophobicContact CG-CH2 3.32Å; F786-W887 AromaticContact CG-CZ2 3.45Å; F786-W887 HydrophobicContact CG-CZ2 3.45Å; F786-W887 VanDerWaalsContact CG-CZ2 3.45Å; F786-W887 HydrophobicContact CG-CZ3 4.37Å; F786-W887 AromaticContact CZ-CH2 3.97Å; F786-W887 HydrophobicContact CZ-CH2 3.97Å | ||
| 787 | Y | 86.9 | Confident | 78.8 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 8% | 0.075 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132 | -178.5 | -67.4 | -90.7 | 0 | 0 | 0 | 110.2 | V773 V774 P776 R779 H785 V832 D833 Y834 L872 | V773-Y787 CarbonylContact C-O 3.5Å; V773-Y787 WeakPolarHBondContact CA-O 3.38Å; V774-Y787 PolarHBondContact N-O 3.49Å; V774-Y787 PolarHBondContact O-N 3.3Å; P776-Y787 HydrophobicContact CG-CD2 4.31Å; P776-Y787 HydrophobicContact CG-CE2 3.86Å; R779-Y787 PolarHBondContact NH1-OH 3.49Å; H785-Y787 HydrophobicContact CB-CD2 4.44Å; H785-Y787 HydrophobicContact CB-CE2 3.64Å; Y787-V832 HydrophobicContact CD1-CB 4.5Å; Y787-V832 HydrophobicContact CD1-CG2 3.61Å; Y787-V832 HydrophobicContact CE1-CG2 4.49Å; Y787-V832 HydrophobicContact CG-CG2 3.94Å; Y787-D833 CarbonylContact C-O 3.16Å; Y787-D833 VanDerWaalsContact CA-O 3.31Å; Y787-D833 WeakPolarHBondContact CA-O 3.41Å; Y787-Y834 HydrophobicContact CD1-CD2 4.25Å; Y787-Y834 AromaticContact CE1-CD2 3.76Å; Y787-Y834 HydrophobicContact CE1-CD2 3.76Å; Y787-Y834 HydrophobicContact CE1-CE2 4.48Å; Y787-L872 HydrophobicContact CD2-CD1 4.14Å; Y787-L872 HydrophobicContact CG-CD1 4.14Å |
| 788 | N | 87.3 | Confident | 78.9 | Confident | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.9 | 177.1 | -71.4 | 38.7 | 0 | 0 | 0 | 108.6 | I790 V832 D833 S884 | N788-I790 PolarHBondContact O-N 3.29Å; N788-V832 VanDerWaalsContact O-CA 3.29Å; N788-V832 WeakPolarHBondContact O-CA 3.47Å; N788-V832 WeakPolarHBondContact O-CB 3.37Å; N788-D833 PolarHBondContact N-O 3.44Å; N788-D833 PolarHBondContact O-N 3.38Å; N788-S884 PolarHBondContact ND2-OG 3.23Å |
| 789 | V | 89.5 | Confident | 79.2 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 118.8 | 171.2 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | Y769 A772 V774 I792 L830 V832 | Y769-V789 WeakPolarHBondContact O-CG1 3.44Å; A772-V789 HydrophobicContact CB-CG2 4.3Å; A772-V789 PolarHBondContact O-N 2.94Å; V774-V789 HydrophobicContact CG1-CG2 3.88Å; V774-V789 HydrophobicContact CG2-CG2 4.08Å; V789-I792 HydrophobicContact CG1-CG1 4.14Å; V789-L830 HydrophobicContact CG1-CD2 4.44Å; V789-L830 HydrophobicContact CG2-CD1 4.39Å; V789-V832 HydrophobicContact CG2-CG1 4.23Å |
| 790 | I | 83.4 | Confident | 79.7 | Confident | 63 Ų | 63 | 51.1 Ų | 51.1 | 32% | 0.323 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -48.4 | 173.1 | -46.4 | 168.5 | 0 | 0 | 0 | 108.9 | T634 N788 N831 D833 K869 | T634-I790 HydrophobicContact CG2-CG2 3.98Å; N788-I790 PolarHBondContact O-N 3.29Å; I790-N831 PolarHBondContact N-O 3.05Å; I790-D833 HydrophobicContact CD1-CB 3.86Å; I790-D833 HydrophobicContact CG1-CB 3.83Å; I790-K869 HydrophobicContact CD1-CG 4.49Å |
| 791 | D | 85.4 | Confident | 80.9 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 165.1 | -167.5 | -164.8 | 9.8 | 0 | 0 | 0 | 110.7 | N831 | D791-N831 HydrophobicContact CB-CB 4.23Å; D791-N831 PolarHBondContact N-O 3.37Å; D791-N831 WeakPolarHBondContact O-CB 3.41Å; D791-N831 PolarHBondContact O-N 3.47Å |
| 792 | I | 88.8 | Confident | 82.2 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 101.5 | -175.2 | -60 | 173.2 | 0 | 0 | 0 | 108.3 | F764 I766 I770 V789 T794 A828 L830 | F764-I792 HydrophobicContact CZ-CG2 3.92Å; I766-I792 HydrophobicContact CG2-CD1 3.82Å; I770-I792 HydrophobicContact CG1-CD1 4.25Å; V789-I792 HydrophobicContact CG1-CG1 4.14Å; I792-T794 VanDerWaalsContact C-N 3.34Å; I792-T794 HydrophobicContact CG2-CG2 4.36Å; I792-T794 PolarHBondContact O-N 3.17Å; I792-A828 HydrophobicContact CG2-CB 3.9Å; I792-L830 HydrophobicContact CG1-CD2 4.05Å |
| 793 | C | 88.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.095 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 83.8 | -179.3 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | D795 L796 A828 L829 | C793-D795 WeakPolarHBondContact CA-OD1 3.4Å; C793-D795 WeakPolarHBondContact CB-OD1 3.29Å; C793-D795 PolarHBondContact O-N 3.16Å; C793-L796 HydrophobicContact CB-CB 4.24Å; C793-L796 HydrophobicContact CB-CD1 4.27Å; C793-L796 PolarHBondContact O-N 3.23Å; C793-L796 VanDerWaalsContact O-O 3.09Å; C793-A828 WeakPolarHBondContact O-CB 3.19Å; C793-L829 HydrophobicContact CB-CB 4.34Å; C793-L829 WeakPolarHBondContact CB-O 3.29Å; C793-L829 PolarHBondContact N-O 3.02Å; C793-L829 PolarHBondContact O-N 3.48Å |
| 794 | T | 86.3 | Confident | 83.9 | Confident | 107 Ų | 107 | 46 Ų | 46 | 66% | 0.656 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -12.9 | 177.1 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | I766 I792 A828 | I766-T794 HydrophobicContact CD1-CG2 4.27Å; I792-T794 VanDerWaalsContact C-N 3.34Å; I792-T794 HydrophobicContact CG2-CG2 4.36Å; I792-T794 PolarHBondContact O-N 3.17Å; T794-A828 HydrophobicContact CG2-CB 4.31Å |
| 795 | D | 85.1 | Confident | 84.5 | Confident | 115 Ų | 115 | 52.4 Ų | 52.4 | 62% | 0.615 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -20.4 | 171.8 | 58 | -48.8 | 0 | 0 | 0 | 113.8 | C793 | C793-D795 WeakPolarHBondContact CA-OD1 3.4Å; C793-D795 WeakPolarHBondContact CB-OD1 3.29Å; C793-D795 PolarHBondContact O-N 3.16Å |
| 796 | L | 86.6 | Confident | 84.6 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | trans | -124.7 | 139.8 | -173 | -60.9 | 168.5 | 0 | 0 | 0 | 113 | C793 A828 L829 K871 | C793-L796 HydrophobicContact CB-CB 4.24Å; C793-L796 HydrophobicContact CB-CD1 4.27Å; C793-L796 PolarHBondContact O-N 3.23Å; C793-L796 VanDerWaalsContact O-O 3.09Å; L796-A828 WeakPolarHBondContact O-CA 3.37Å; L796-L829 HydrophobicContact CB-CB 4.42Å; L796-L829 HydrophobicContact CB-CD1 3.8Å; L796-L829 HydrophobicContact CB-CG 4.39Å; L796-L829 PolarHBondContact O-N 3.48Å; L796-K871 HydrophobicContact CD1-CD 4.12Å | ||
| 797 | T | 90.6 | Very high | 84.5 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | trans | -126.5 | 165.9 | -174.9 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | A799 S800 | T797-A799 PolarHBondContact O-N 3.28Å; T797-A799 VanDerWaalsContact O-N 3.08Å; T797-A799 PolarHBondContact OG1-N 3.11Å; T797-S800 PolarHBondContact N-OG 3.18Å; T797-S800 VanDerWaalsContact O-CB 3.27Å; T797-S800 WeakPolarHBondContact O-CB 3.16Å; T797-S800 PolarHBondContact O-N 2.73Å; T797-S800 PolarHBondContact O-OG 3.13Å; T797-S800 PolarHBondContact OG1-N 3.5Å; T797-S800 PolarHBondContact OG1-OG 3.26Å | ||
| 798 | P | 88 | Confident | 84.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -27.4 | 165 | -32.5 | 35.5 | 0 | 0 | 0 | 115.8 | F810 N811 I822 Q825 Q827 I873 | P798-F810 PolarHBondContact O-N 3.47Å; P798-N811 HydrophobicContact CB-CB 4.42Å; P798-N811 VanDerWaalsContact O-CB 3.31Å; P798-N811 WeakPolarHBondContact O-CB 3.35Å; P798-N811 PolarHBondContact O-N 2.85Å; P798-I822 HydrophobicContact CB-CD1 3.96Å; P798-I822 HydrophobicContact CB-CG2 4.3Å; P798-I822 HydrophobicContact CG-CD1 4.46Å; P798-I822 HydrophobicContact CG-CG2 4.12Å; P798-Q825 WeakPolarHBondContact CD-O 3.42Å; P798-Q827 WeakPolarHBondContact CD-O 3.37Å; P798-Q827 HydrophobicContact CG-CG 3.72Å; P798-I873 HydrophobicContact CG-CD1 4.48Å; P798-I873 HydrophobicContact CG-CG2 4.25Å |
| 799 | A | 86.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -8.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | T797 | T797-A799 PolarHBondContact O-N 3.28Å; T797-A799 VanDerWaalsContact O-N 3.08Å; T797-A799 PolarHBondContact OG1-N 3.11Å |
| 800 | S | 88.3 | Confident | 84.4 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -67.8 | 155.1 | 173 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | T797 S809 F810 | T797-S800 PolarHBondContact N-OG 3.18Å; T797-S800 VanDerWaalsContact O-CB 3.27Å; T797-S800 WeakPolarHBondContact O-CB 3.16Å; T797-S800 PolarHBondContact O-N 2.73Å; T797-S800 PolarHBondContact O-OG 3.13Å; T797-S800 PolarHBondContact OG1-N 3.5Å; T797-S800 PolarHBondContact OG1-OG 3.26Å; S800-S809 VanDerWaalsContact O-CA 3.23Å; S800-S809 WeakPolarHBondContact O-CA 3.28Å; S800-S809 WeakPolarHBondContact O-CB 3.49Å; S800-F810 WeakPolarHBondContact O-CD2 3.44Å; S800-F810 PolarHBondContact O-N 3.21Å |
| 801 | T | 83.7 | Confident | 84.6 | Confident | 113 Ų | 113 | 58.9 Ų | 58.9 | 69% | 0.693 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 142.3 | 179.5 | 40.4 | 0 | 0 | 0 | 0 | 112.4 | S808 F810 | T801-S808 WeakPolarHBondContact CA-O 3.42Å; T801-F810 WeakPolarHBondContact O-CE2 3.3Å |
| 802 | F | 83.3 | Confident | 84.7 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 156.2 | 172.6 | -158 | -114.2 | 0 | 0 | 0 | 110.1 | D804 Y807 F810 Y813 | F802-D804 VanDerWaalsContact C-N 3.26Å; F802-D804 HydrophobicContact CD1-CB 3.94Å; F802-D804 HydrophobicContact CE1-CB 4.21Å; F802-D804 VanDerWaalsContact CE1-OD2 3.27Å; F802-D804 WeakPolarHBondContact CE1-OD2 3.5Å; F802-D804 PolarHBondContact O-N 3.43Å; F802-Y807 VanDerWaalsContact CB-O 3.25Å; F802-Y807 WeakPolarHBondContact CB-O 3.28Å; F802-Y807 AromaticContact CD1-CD2 3.91Å; F802-Y807 HydrophobicContact CD1-CD2 3.91Å; F802-Y807 HydrophobicContact CD1-CG 4.38Å; F802-Y807 HydrophobicContact CE1-CD2 4.14Å; F802-F810 HydrophobicContact CD2-CB 4.43Å; F802-F810 AromaticContact CD2-CD1 3.51Å; F802-F810 HydrophobicContact CD2-CD1 3.51Å; F802-F810 HydrophobicContact CD2-CD2 4.35Å; F802-F810 AromaticContact CD2-CE1 3.69Å; F802-F810 HydrophobicContact CD2-CE1 3.69Å; F802-F810 HydrophobicContact CD2-CE2 4.5Å; F802-F810 AromaticContact CD2-CG 3.86Å; F802-F810 HydrophobicContact CD2-CG 3.86Å; F802-F810 HydrophobicContact CD2-CZ 4.19Å; F802-F810 AromaticContact CE2-CD1 3.59Å; F802-F810 HydrophobicContact CE2-CD1 3.59Å; F802-F810 AromaticContact CE2-CE1 3.69Å; F802-F810 HydrophobicContact CE2-CE1 3.69Å; F802-F810 HydrophobicContact CE2-CG 4.37Å; F802-Y813 HydrophobicContact CD1-CD2 4.26Å; F802-Y813 HydrophobicContact CD2-CG 4.22Å; F802-Y813 AromaticContact CE1-CD2 3.49Å; F802-Y813 HydrophobicContact CE1-CD2 3.49Å; F802-Y813 VanDerWaalsContact CE1-CD2 3.49Å; F802-Y813 AromaticContact CE1-CE2 3.87Å; F802-Y813 HydrophobicContact CE1-CE2 3.87Å; F802-Y813 AromaticContact CE1-CG 4Å; F802-Y813 HydrophobicContact CE1-CG 4Å; F802-Y813 AromaticContact CE2-CD1 3.83Å; F802-Y813 HydrophobicContact CE2-CD1 3.83Å; F802-Y813 AromaticContact CE2-CD2 3.95Å; F802-Y813 HydrophobicContact CE2-CD2 3.95Å; F802-Y813 HydrophobicContact CE2-CE1 4.34Å; F802-Y813 HydrophobicContact CE2-CE2 4.42Å; F802-Y813 AromaticContact CE2-CG 3.61Å; F802-Y813 HydrophobicContact CE2-CG 3.61Å; F802-Y813 AromaticContact CZ-CD1 3.9Å; F802-Y813 HydrophobicContact CZ-CD1 3.9Å; F802-Y813 AromaticContact CZ-CD2 3.31Å; F802-Y813 HydrophobicContact CZ-CD2 3.31Å; F802-Y813 HydrophobicContact CZ-CE1 4.11Å; F802-Y813 AromaticContact CZ-CE2 3.53Å; F802-Y813 HydrophobicContact CZ-CE2 3.53Å; F802-Y813 AromaticContact CZ-CG 3.49Å; F802-Y813 HydrophobicContact CZ-CG 3.49Å; F802-Y813 VanDerWaalsContact CZ-CG 3.49Å; F802-Y813 AromaticContact CZ-CZ 3.93Å |
| 803 | P | 77.3 | Confident | 84.8 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -67.5 | -22.6 | 178.3 | -23.5 | 36.1 | 0 | 0 | 0 | 114.9 | F810 | P803-F810 HydrophobicContact CG-CZ 4.42Š|
| 804 | D | 73.1 | Confident | 84.8 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -102.9 | 135.7 | 179.5 | -56.3 | -53.2 | 0 | 0 | 0 | 111.8 | F802 E806 Y807 S978 V979 | F802-D804 VanDerWaalsContact C-N 3.26Å; F802-D804 HydrophobicContact CD1-CB 3.94Å; F802-D804 HydrophobicContact CE1-CB 4.21Å; F802-D804 VanDerWaalsContact CE1-OD2 3.27Å; F802-D804 WeakPolarHBondContact CE1-OD2 3.5Å; F802-D804 PolarHBondContact O-N 3.43Å; D804-E806 PolarHBondContact O-N 3.48Å; D804-Y807 PolarHBondContact O-N 3.29Å; D804-S978 WeakPolarHBondContact OD1-CB 3.38Å; D804-S978 WeakPolarHBondContact OD2-CB 3.36Å; D804-V979 PolarHBondContact OD1-N 3.27Å |
| 805 | D | 74.6 | Confident | 84.9 | Confident | 175 Ų | 175 | 59.2 Ų | 59.2 | 94% | 0.936 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -13.3 | 178.2 | -65.2 | -41.1 | 0 | 0 | 0 | 114.4 | Y807 | D805-Y807 VanDerWaalsContact C-N 3.3Å; D805-Y807 PolarHBondContact O-N 2.59Å |
| 806 | E | 78 | Confident | 84.9 | Confident | 143 Ų | 143 | 60.6 Ų | 60.6 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23.1 | 176.1 | -70.6 | -165 | 169.1 | 0 | 0 | 114.1 | D804 | D804-E806 PolarHBondContact O-N 3.48Š|
| 807 | Y | 83.7 | Confident | 84.8 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | trans | -134.2 | 124.5 | -172.4 | -54.7 | -80.8 | 0 | 0 | 0 | 111.5 | F802 D804 D805 S809 E812 Y813 H816 | F802-Y807 VanDerWaalsContact CB-O 3.25Å; F802-Y807 WeakPolarHBondContact CB-O 3.28Å; F802-Y807 AromaticContact CD1-CD2 3.91Å; F802-Y807 HydrophobicContact CD1-CD2 3.91Å; F802-Y807 HydrophobicContact CD1-CG 4.38Å; F802-Y807 HydrophobicContact CE1-CD2 4.14Å; D804-Y807 PolarHBondContact O-N 3.29Å; D805-Y807 VanDerWaalsContact C-N 3.3Å; D805-Y807 PolarHBondContact O-N 2.59Å; Y807-S809 PolarHBondContact O-N 3.05Å; Y807-E812 HydrophobicContact CD1-CG 4.41Å; Y807-Y813 AromaticContact CD2-CD2 3.87Å; Y807-Y813 HydrophobicContact CD2-CD2 3.87Å; Y807-Y813 HydrophobicContact CE2-CD2 4Å; Y807-Y813 HydrophobicContact CG-CD2 4.24Å; Y807-H816 HydrophobicContact CD1-CB 4.48Å; Y807-H816 HydrophobicContact CE1-CB 4Å; Y807-H816 AromaticContact CE1-ND1 3.7Å | ||
| 808 | S | 83.2 | Confident | 84.5 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -66.6 | -21.2 | -178.2 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | T801 E812 | T801-S808 WeakPolarHBondContact CA-O 3.42Å; S808-E812 VanDerWaalsContact CB-OE2 3.24Å; S808-E812 WeakPolarHBondContact CB-OE2 3.17Å; S808-E812 PolarHBondContact N-OE2 2.79Å; S808-E812 PolarHBondContact OG-OE2 2.69Å |
| 809 | S | 89.5 | Confident | 84.3 | Confident | 17 Ų | 17 | 68.8 Ų | 68.8 | 12% | 0.119 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -159.8 | 161.4 | -178.2 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | S800 Y807 N811 E812 Y813 | S800-S809 VanDerWaalsContact O-CA 3.23Å; S800-S809 WeakPolarHBondContact O-CA 3.28Å; S800-S809 WeakPolarHBondContact O-CB 3.49Å; Y807-S809 PolarHBondContact O-N 3.05Å; S809-N811 PolarHBondContact O-N 2.72Å; S809-E812 PolarHBondContact O-N 3.4Å; S809-E812 VanDerWaalsContact O-N 3.11Å; S809-E812 PolarHBondContact OG-N 2.73Å; S809-Y813 PolarHBondContact O-N 2.65Å |
| 810 | F | 88.5 | Confident | 84.3 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.8 | -39.4 | 171 | -74 | -87.8 | 0 | 0 | 0 | 112.4 | P798 S800 T801 F802 P803 E812 Y813 Y814 L829 K871 I873 | P798-F810 PolarHBondContact O-N 3.47Å; S800-F810 WeakPolarHBondContact O-CD2 3.44Å; S800-F810 PolarHBondContact O-N 3.21Å; T801-F810 WeakPolarHBondContact O-CE2 3.3Å; F802-F810 HydrophobicContact CD2-CB 4.43Å; F802-F810 AromaticContact CD2-CD1 3.51Å; F802-F810 HydrophobicContact CD2-CD1 3.51Å; F802-F810 HydrophobicContact CD2-CD2 4.35Å; F802-F810 AromaticContact CD2-CE1 3.69Å; F802-F810 HydrophobicContact CD2-CE1 3.69Å; F802-F810 HydrophobicContact CD2-CE2 4.5Å; F802-F810 AromaticContact CD2-CG 3.86Å; F802-F810 HydrophobicContact CD2-CG 3.86Å; F802-F810 HydrophobicContact CD2-CZ 4.19Å; F802-F810 AromaticContact CE2-CD1 3.59Å; F802-F810 HydrophobicContact CE2-CD1 3.59Å; F802-F810 AromaticContact CE2-CE1 3.69Å; F802-F810 HydrophobicContact CE2-CE1 3.69Å; F802-F810 HydrophobicContact CE2-CG 4.37Å; P803-F810 HydrophobicContact CG-CZ 4.42Å; F810-E812 PolarHBondContact O-N 3Å; F810-Y813 PolarHBondContact O-N 3.38Å; F810-Y814 VanDerWaalsContact O-CD2 3.25Å; F810-Y814 WeakPolarHBondContact O-CD2 3.33Å; F810-Y814 PolarHBondContact O-N 3.19Å; F810-L829 HydrophobicContact CD1-CD1 4.27Å; F810-L829 HydrophobicContact CD2-CD1 3.66Å; F810-L829 HydrophobicContact CE1-CD1 4.19Å; F810-L829 HydrophobicContact CE2-CD1 3.56Å; F810-L829 HydrophobicContact CG-CD1 4.04Å; F810-L829 HydrophobicContact CZ-CD1 3.85Å; F810-K871 HydrophobicContact CE1-CB 4.05Å; F810-K871 HydrophobicContact CZ-CB 4.27Å; F810-K871 HydrophobicContact CZ-CD 4.15Å; F810-I873 HydrophobicContact CB-CD1 4.29Å |
| 811 | N | 88.2 | Confident | 84.2 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 17% | 0.166 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.1 | -172.1 | 38.3 | 0 | 0 | 0 | 112.5 | P798 S809 R815 I822 Q825 | P798-N811 HydrophobicContact CB-CB 4.42Å; P798-N811 VanDerWaalsContact O-CB 3.31Å; P798-N811 WeakPolarHBondContact O-CB 3.35Å; P798-N811 PolarHBondContact O-N 2.85Å; S809-N811 PolarHBondContact O-N 2.72Å; N811-R815 WeakPolarHBondContact O-CB 3.25Å; N811-R815 PolarHBondContact O-N 3.19Å; N811-I822 HydrophobicContact CB-CD1 4.1Å; N811-I822 PolarHBondContact OD1-N 2.71Å; N811-Q825 PolarHBondContact ND2-NE2 2.94Å; N811-Q825 PolarHBondContact OD1-NE2 3.33Å |
| 812 | E | 87.6 | Confident | 84.3 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 174.1 | -173.4 | 166.6 | -132.7 | 0 | 0 | 111.9 | Y807 S808 S809 F810 Y814 R815 H816 | Y807-E812 HydrophobicContact CD1-CG 4.41Å; S808-E812 VanDerWaalsContact CB-OE2 3.24Å; S808-E812 WeakPolarHBondContact CB-OE2 3.17Å; S808-E812 PolarHBondContact N-OE2 2.79Å; S808-E812 PolarHBondContact OG-OE2 2.69Å; S809-E812 PolarHBondContact O-N 3.4Å; S809-E812 VanDerWaalsContact O-N 3.11Å; S809-E812 PolarHBondContact OG-N 2.73Å; F810-E812 PolarHBondContact O-N 3Å; E812-Y814 PolarHBondContact O-N 3.01Å; E812-R815 PolarHBondContact O-N 3.17Å; E812-H816 WeakPolarHBondContact O-CB 3.37Å; E812-H816 PolarHBondContact O-N 3.12Å |
| 813 | Y | 89.6 | Confident | 84.5 | Confident | 26 Ų | 26 | 66 Ų | 66 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.9 | -49.9 | 174.9 | 169.9 | -92.9 | 0 | 0 | 0 | 112.3 | F802 Y807 S809 F810 H816 K817 Y818 | F802-Y813 HydrophobicContact CD1-CD2 4.26Å; F802-Y813 HydrophobicContact CD2-CG 4.22Å; F802-Y813 AromaticContact CE1-CD2 3.49Å; F802-Y813 HydrophobicContact CE1-CD2 3.49Å; F802-Y813 VanDerWaalsContact CE1-CD2 3.49Å; F802-Y813 AromaticContact CE1-CE2 3.87Å; F802-Y813 HydrophobicContact CE1-CE2 3.87Å; F802-Y813 AromaticContact CE1-CG 4Å; F802-Y813 HydrophobicContact CE1-CG 4Å; F802-Y813 AromaticContact CE2-CD1 3.83Å; F802-Y813 HydrophobicContact CE2-CD1 3.83Å; F802-Y813 AromaticContact CE2-CD2 3.95Å; F802-Y813 HydrophobicContact CE2-CD2 3.95Å; F802-Y813 HydrophobicContact CE2-CE1 4.34Å; F802-Y813 HydrophobicContact CE2-CE2 4.42Å; F802-Y813 AromaticContact CE2-CG 3.61Å; F802-Y813 HydrophobicContact CE2-CG 3.61Å; F802-Y813 AromaticContact CZ-CD1 3.9Å; F802-Y813 HydrophobicContact CZ-CD1 3.9Å; F802-Y813 AromaticContact CZ-CD2 3.31Å; F802-Y813 HydrophobicContact CZ-CD2 3.31Å; F802-Y813 HydrophobicContact CZ-CE1 4.11Å; F802-Y813 AromaticContact CZ-CE2 3.53Å; F802-Y813 HydrophobicContact CZ-CE2 3.53Å; F802-Y813 AromaticContact CZ-CG 3.49Å; F802-Y813 HydrophobicContact CZ-CG 3.49Å; F802-Y813 VanDerWaalsContact CZ-CG 3.49Å; F802-Y813 AromaticContact CZ-CZ 3.93Å; Y807-Y813 AromaticContact CD2-CD2 3.87Å; Y807-Y813 HydrophobicContact CD2-CD2 3.87Å; Y807-Y813 HydrophobicContact CE2-CD2 4Å; Y807-Y813 HydrophobicContact CG-CD2 4.24Å; S809-Y813 PolarHBondContact O-N 2.65Å; F810-Y813 PolarHBondContact O-N 3.38Å; Y813-H816 PolarHBondContact O-N 3.15Å; Y813-K817 HydrophobicContact CE2-CD 3.83Å; Y813-K817 WeakPolarHBondContact O-CB 3.16Å; Y813-K817 PolarHBondContact O-N 3.41Å; Y813-Y818 HydrophobicContact CE1-CD2 4.47Å; Y813-Y818 AromaticContact CE1-CE2 3.77Å; Y813-Y818 HydrophobicContact CE1-CE2 3.77Å |
| 814 | Y | 89 | Confident | 85 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69 | -34.4 | 179.6 | -79.4 | -72.5 | 0 | 0 | 0 | 112.8 | Y778 F810 E812 Y818 G819 L820 I822 I873 L876 | Y778-Y814 HydrophobicContact CE1-CE1 4.04Å; Y778-Y814 HydrophobicContact CE2-CE1 4.13Å; Y778-Y814 AromaticContact CZ-CE1 3.63Å; Y778-Y814 WeakPolarHBondContact OH-CE1 3.13Å; Y778-Y814 PolarHBondContact OH-OH 3.36Å; F810-Y814 VanDerWaalsContact O-CD2 3.25Å; F810-Y814 WeakPolarHBondContact O-CD2 3.33Å; F810-Y814 PolarHBondContact O-N 3.19Å; E812-Y814 PolarHBondContact O-N 3.01Å; Y814-Y818 AromaticContact CD1-CD2 3.72Å; Y814-Y818 HydrophobicContact CD1-CD2 3.72Å; Y814-Y818 HydrophobicContact CD1-CE2 4.15Å; Y814-Y818 HydrophobicContact CE1-CD2 4.16Å; Y814-Y818 HydrophobicContact CE1-CE2 4.15Å; Y814-Y818 PolarHBondContact O-N 3.14Å; Y814-G819 PolarHBondContact O-N 3.13Å; Y814-L820 CarbonylContact C-O 3.33Å; Y814-L820 PolarHBondContact O-N 2.9Å; Y814-I822 HydrophobicContact CD2-CD1 4.37Å; Y814-I873 HydrophobicContact CD2-CD1 3.37Å; Y814-I873 HydrophobicContact CD2-CG1 4.16Å; Y814-I873 HydrophobicContact CE2-CD1 3.37Å; Y814-I873 HydrophobicContact CE2-CG1 3.66Å; Y814-I873 HydrophobicContact CG-CD1 4.4Å; Y814-L876 HydrophobicContact CD1-CD1 3.56Å; Y814-L876 HydrophobicContact CD2-CD1 4.1Å; Y814-L876 HydrophobicContact CE1-CD1 3.89Å; Y814-L876 HydrophobicContact CE2-CD1 4.41Å; Y814-L876 HydrophobicContact CG-CD1 3.68Å |
| 815 | R | 87.6 | Confident | 85.7 | Confident | 129 Ų | 129 | 65.5 Ų | 65.5 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 173.9 | -168.4 | -172 | -158.5 | 98.6 | 14.4 | 111.9 | N811 E812 G819 L820 E821 | N811-R815 WeakPolarHBondContact O-CB 3.25Å; N811-R815 PolarHBondContact O-N 3.19Å; E812-R815 PolarHBondContact O-N 3.17Å; R815-G819 WeakPolarHBondContact O-CA 3.44Å; R815-G819 PolarHBondContact O-N 3.49Å; R815-G819 VanDerWaalsContact O-N 3.17Å; R815-L820 WeakPolarHBondContact CA-O 3.32Å; R815-L820 PolarHBondContact N-O 3.27Å; R815-E821 IonicContact CZ-OE1 2.78Å; R815-E821 IonicContact NH1-OE1 3.86Å; R815-E821 PolarHBondContact NH1-OE1 3.33Å; R815-E821 IonicContact NH2-OE1 3.61Å; R815-E821 PolarHBondContact NH2-OE1 2.77Å |
| 816 | H | 85.2 | Confident | 86.4 | Confident | 143 Ų | 143 | 64.4 Ų | 64.4 | 66% | 0.662 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -80.2 | -50.1 | -175.2 | -164.7 | -111 | 0 | 0 | 0 | 112.4 | Y807 E812 Y813 | Y807-H816 HydrophobicContact CD1-CB 4.48Å; Y807-H816 HydrophobicContact CE1-CB 4Å; Y807-H816 AromaticContact CE1-ND1 3.7Å; E812-H816 WeakPolarHBondContact O-CB 3.37Å; E812-H816 PolarHBondContact O-N 3.12Å; Y813-H816 PolarHBondContact O-N 3.15Å |
| 817 | K | 84.9 | Confident | 87 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -79.1 | -26.3 | -173.8 | -166.1 | 157 | -169.9 | 150.5 | 0 | 114.1 | Y813 E976 | Y813-K817 HydrophobicContact CE2-CD 3.83Å; Y813-K817 WeakPolarHBondContact O-CB 3.16Å; Y813-K817 PolarHBondContact O-N 3.41Å; K817-E976 IonicContact NZ-OE2 2.61Å |
| 818 | Y | 84 | Confident | 87.3 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 33% | 0.333 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -127.1 | -3.6 | -176.4 | -56.8 | -81.1 | 0 | 0 | 0 | 114.9 | Y778 Y813 Y814 L820 | Y778-Y818 AromaticContact CD2-CD1 3.81Å; Y778-Y818 HydrophobicContact CD2-CD1 3.81Å; Y778-Y818 AromaticContact CD2-CE1 3.88Å; Y778-Y818 HydrophobicContact CD2-CE1 3.88Å; Y778-Y818 HydrophobicContact CD2-CG 4.17Å; Y778-Y818 HydrophobicContact CE2-CD1 4.16Å; Y778-Y818 HydrophobicContact CE2-CD2 4.41Å; Y778-Y818 AromaticContact CE2-CE1 3.85Å; Y778-Y818 HydrophobicContact CE2-CE1 3.85Å; Y778-Y818 HydrophobicContact CE2-CE2 4.12Å; Y778-Y818 HydrophobicContact CE2-CG 4.42Å; Y778-Y818 AromaticContact CE2-CZ 3.83Å; Y813-Y818 HydrophobicContact CE1-CD2 4.47Å; Y813-Y818 AromaticContact CE1-CE2 3.77Å; Y813-Y818 HydrophobicContact CE1-CE2 3.77Å; Y814-Y818 AromaticContact CD1-CD2 3.72Å; Y814-Y818 HydrophobicContact CD1-CD2 3.72Å; Y814-Y818 HydrophobicContact CD1-CE2 4.15Å; Y814-Y818 HydrophobicContact CE1-CD2 4.16Å; Y814-Y818 HydrophobicContact CE1-CE2 4.15Å; Y814-Y818 PolarHBondContact O-N 3.14Å; Y818-L820 VanDerWaalsContact C-N 3.26Å; Y818-L820 PolarHBondContact O-N 3.01Å |
| 819 | G | 85.3 | Confident | 87.7 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 65% | 0.649 | 26% | 0.261 | S | S | * | . | trans | 69.9 | 20.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y814 R815 | Y814-G819 PolarHBondContact O-N 3.13Å; R815-G819 WeakPolarHBondContact O-CA 3.44Å; R815-G819 PolarHBondContact O-N 3.49Å; R815-G819 VanDerWaalsContact O-N 3.17Å | ||
| 820 | L | 86.2 | Confident | 87.8 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | trans | -104.3 | 107.7 | -172.9 | -63.8 | 179.9 | 0 | 0 | 0 | 111.6 | W777 Y778 Y814 R815 Y818 L876 | W777-L820 HydrophobicContact CH2-CD1 4.14Å; W777-L820 HydrophobicContact CH2-CD2 3.85Å; W777-L820 HydrophobicContact CZ3-CD2 4.31Å; Y778-L820 HydrophobicContact CD1-CD1 4.31Å; Y778-L820 HydrophobicContact CG-CD1 3.97Å; Y814-L820 CarbonylContact C-O 3.33Å; Y814-L820 PolarHBondContact O-N 2.9Å; R815-L820 WeakPolarHBondContact CA-O 3.32Å; R815-L820 PolarHBondContact N-O 3.27Å; Y818-L820 VanDerWaalsContact C-N 3.26Å; Y818-L820 PolarHBondContact O-N 3.01Å; L820-L876 HydrophobicContact CD1-CD1 4.48Å; L820-L876 HydrophobicContact CD1-CD2 4.34Å | ||
| 821 | E | 85.4 | Confident | 87.8 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | trans | -79.1 | 135.4 | 165.9 | -174.8 | 166.9 | -114.7 | 0 | 0 | 110 | R759 R815 | R759-E821 PolarHBondContact NH2-O 2.96Å; R815-E821 IonicContact CZ-OE1 2.78Å; R815-E821 IonicContact NH1-OE1 3.86Å; R815-E821 PolarHBondContact NH1-OE1 3.33Å; R815-E821 IonicContact NH2-OE1 3.61Å; R815-E821 PolarHBondContact NH2-OE1 2.77Å | ||
| 822 | I | 86.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -99.6 | 133.7 | -178.1 | -55.6 | 164.2 | 0 | 0 | 0 | 109.1 | P798 N811 Y814 Q825 I873 E875 L876 | P798-I822 HydrophobicContact CB-CD1 3.96Å; P798-I822 HydrophobicContact CB-CG2 4.3Å; P798-I822 HydrophobicContact CG-CD1 4.46Å; P798-I822 HydrophobicContact CG-CG2 4.12Å; N811-I822 HydrophobicContact CB-CD1 4.1Å; N811-I822 PolarHBondContact OD1-N 2.71Å; Y814-I822 HydrophobicContact CD2-CD1 4.37Å; I822-Q825 PolarHBondContact O-NE2 3.48Å; I822-I873 HydrophobicContact CD1-CD1 3.34Å; I822-I873 HydrophobicContact CG1-CD1 4.46Å; I822-I873 HydrophobicContact CG2-CG2 4.36Å; I822-E875 WeakPolarHBondContact CG2-OE2 3.47Å; I822-L876 HydrophobicContact CG1-CD1 4.3Å | ||
| 823 | Y | 87.7 | Confident | 87.5 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 28% | 0.275 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -93.6 | -39.7 | -176.1 | -56 | -62.1 | 0 | 0 | 0 | 112.8 | R759 K760 Q825 E875 | R759-Y823 HydrophobicContact CB-CD2 3.84Å; R759-Y823 HydrophobicContact CB-CE2 3.86Å; K760-Y823 HydrophobicContact CB-CD2 4.47Å; K760-Y823 WeakPolarHBondContact CE-OH 3.43Å; K760-Y823 HydrophobicContact CG-CD1 3.98Å; K760-Y823 HydrophobicContact CG-CD2 3.75Å; K760-Y823 HydrophobicContact CG-CE1 3.92Å; K760-Y823 HydrophobicContact CG-CE2 3.65Å; K760-Y823 HydrophobicContact CG-CG 3.9Å; Y823-Q825 PolarHBondContact O-N 2.94Å; Y823-E875 WeakPolarHBondContact CD2-OE1 3.4Å; Y823-E875 PolarHBondContact N-OE1 3.4Å; Y823-E875 PolarHBondContact N-OE2 2.78Å |
| 824 | C | 87.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | trans | -89.5 | 79.2 | -179.1 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | F762 D826 Q827 E875 | F762-C824 HydrophobicContact CD1-CB 3.82Å; C824-D826 PolarHBondContact O-N 3.15Å; C824-Q827 VanDerWaalsContact O-CG 3.24Å; C824-Q827 WeakPolarHBondContact O-CG 3.38Å; C824-Q827 PolarHBondContact O-N 3.14Å; C824-Q827 PolarHBondContact O-NE2 3.11Å; C824-E875 PolarHBondContact N-OE2 3.07Å | ||
| 825 | Q | 87.3 | Confident | 85.9 | Confident | 53 Ų | 53 | 51.6 Ų | 51.6 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.4 | -177.6 | -64.9 | -66.4 | -42.5 | 0 | 0 | 113.5 | P798 N811 I822 Y823 Q827 | P798-Q825 WeakPolarHBondContact CD-O 3.42Å; N811-Q825 PolarHBondContact ND2-NE2 2.94Å; N811-Q825 PolarHBondContact OD1-NE2 3.33Å; I822-Q825 PolarHBondContact O-NE2 3.48Å; Y823-Q825 PolarHBondContact O-N 2.94Å; Q825-Q827 VanDerWaalsContact C-N 3.32Å; Q825-Q827 PolarHBondContact O-N 3.3Å |
| 826 | D | 88.1 | Confident | 84.9 | Confident | 153 Ų | 153 | 47.1 Ų | 47.1 | 82% | 0.818 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 8.6 | -178.8 | -48.1 | -42 | 0 | 0 | 0 | 114 | C824 | C824-D826 PolarHBondContact O-N 3.15Š|
| 827 | Q | 91 | Very high | 84.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 142.6 | -179.5 | 74.2 | -166.2 | -69.4 | 0 | 0 | 112.1 | F764 P798 C824 Q825 I873 P874 | F764-Q827 HydrophobicContact CB-CB 3.76Å; F764-Q827 HydrophobicContact CD1-CB 4.43Å; F764-Q827 HydrophobicContact CD2-CB 4.36Å; F764-Q827 HydrophobicContact CG-CB 3.93Å; P798-Q827 WeakPolarHBondContact CD-O 3.37Å; P798-Q827 HydrophobicContact CG-CG 3.72Å; C824-Q827 VanDerWaalsContact O-CG 3.24Å; C824-Q827 WeakPolarHBondContact O-CG 3.38Å; C824-Q827 PolarHBondContact O-N 3.14Å; C824-Q827 PolarHBondContact O-NE2 3.11Å; Q825-Q827 VanDerWaalsContact C-N 3.32Å; Q825-Q827 PolarHBondContact O-N 3.3Å; Q827-I873 VanDerWaalsContact CD-CG2 3.48Å; Q827-I873 HydrophobicContact CG-CG2 4.25Å; Q827-P874 HydrophobicContact CB-CG 4.46Å; Q827-P874 HydrophobicContact CG-CG 4.31Å; Q827-P874 VanDerWaalsContact OE1-CB 3.26Å |
| 828 | A | 91.6 | Very high | 83.8 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 150.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F764 I792 C793 T794 L796 P874 | F764-A828 HydrophobicContact CD1-CB 4.37Å; F764-A828 HydrophobicContact CE1-CB 3.55Å; F764-A828 HydrophobicContact CZ-CB 3.82Å; I792-A828 HydrophobicContact CG2-CB 3.9Å; C793-A828 WeakPolarHBondContact O-CB 3.19Å; T794-A828 HydrophobicContact CG2-CB 4.31Å; L796-A828 WeakPolarHBondContact O-CA 3.37Å; A828-P874 WeakPolarHBondContact O-CD 3.44Å; A828-P874 WeakPolarHBondContact O-CG 3.23Å |
| 829 | L | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 143.4 | 174.4 | -72.6 | 172.9 | 0 | 0 | 0 | 112 | C793 L796 F810 I873 | C793-L829 HydrophobicContact CB-CB 4.34Å; C793-L829 WeakPolarHBondContact CB-O 3.29Å; C793-L829 PolarHBondContact N-O 3.02Å; C793-L829 PolarHBondContact O-N 3.48Å; L796-L829 HydrophobicContact CB-CB 4.42Å; L796-L829 HydrophobicContact CB-CD1 3.8Å; L796-L829 HydrophobicContact CB-CG 4.39Å; L796-L829 PolarHBondContact O-N 3.48Å; F810-L829 HydrophobicContact CD1-CD1 4.27Å; F810-L829 HydrophobicContact CD2-CD1 3.66Å; F810-L829 HydrophobicContact CE1-CD1 4.19Å; F810-L829 HydrophobicContact CE2-CD1 3.56Å; F810-L829 HydrophobicContact CG-CD1 4.04Å; F810-L829 HydrophobicContact CZ-CD1 3.85Å; L829-I873 HydrophobicContact CD2-CB 4.45Å; L829-I873 HydrophobicContact CD2-CD1 4.23Å; L829-I873 HydrophobicContact CD2-CG1 3.66Å |
| 830 | L | 90.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.9 | 175.3 | -55.5 | 177.3 | 0 | 0 | 0 | 109.6 | Y769 V774 V789 I792 V832 K871 L872 P874 V877 | Y769-L830 HydrophobicContact CD1-CD1 3.55Å; Y769-L830 HydrophobicContact CD1-CD2 3.99Å; Y769-L830 HydrophobicContact CD1-CG 4.42Å; Y769-L830 HydrophobicContact CE1-CD1 3.83Å; Y769-L830 HydrophobicContact CG-CD1 4.31Å; Y769-L830 HydrophobicContact CG-CD2 3.89Å; V774-L830 HydrophobicContact CG1-CD1 4.43Å; V789-L830 HydrophobicContact CG1-CD2 4.44Å; V789-L830 HydrophobicContact CG2-CD1 4.39Å; I792-L830 HydrophobicContact CG1-CD2 4.05Å; L830-V832 HydrophobicContact CB-CG1 3.91Å; L830-K871 CarbonylContact O-C 3.54Å; L830-K871 WeakPolarHBondContact O-CA 3.32Å; L830-L872 PolarHBondContact N-O 2.94Å; L830-L872 PolarHBondContact O-N 3.01Å; L830-P874 HydrophobicContact CD1-CG 4.29Å; L830-P874 HydrophobicContact CD2-CG 4.15Å; L830-P874 HydrophobicContact CG-CG 3.92Å; L830-V877 HydrophobicContact CD1-CG2 3.95Å |
| 831 | N | 88.6 | Confident | 83.9 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 15% | 0.15 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 111.9 | 171.8 | -173.4 | 12.5 | 0 | 0 | 0 | 108.6 | I790 D791 | I790-N831 PolarHBondContact N-O 3.05Å; D791-N831 HydrophobicContact CB-CB 4.23Å; D791-N831 PolarHBondContact N-O 3.37Å; D791-N831 WeakPolarHBondContact O-CB 3.41Å; D791-N831 PolarHBondContact O-N 3.47Å |
| 832 | V | 87.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.5 | -169.6 | -49.5 | 0 | 0 | 0 | 0 | 114 | V774 Y787 N788 V789 L830 Q870 L872 | V774-V832 HydrophobicContact CG2-CG1 4.18Å; Y787-V832 HydrophobicContact CD1-CB 4.5Å; Y787-V832 HydrophobicContact CD1-CG2 3.61Å; Y787-V832 HydrophobicContact CE1-CG2 4.49Å; Y787-V832 HydrophobicContact CG-CG2 3.94Å; N788-V832 VanDerWaalsContact O-CA 3.29Å; N788-V832 WeakPolarHBondContact O-CA 3.47Å; N788-V832 WeakPolarHBondContact O-CB 3.37Å; V789-V832 HydrophobicContact CG2-CG1 4.23Å; L830-V832 HydrophobicContact CB-CG1 3.91Å; V832-Q870 HydrophobicContact CG2-CB 4.22Å; V832-Q870 VanDerWaalsContact CG2-O 3.3Å; V832-Q870 WeakPolarHBondContact CG2-O 3.47Å; V832-Q870 PolarHBondContact N-O 2.85Å; V832-Q870 PolarHBondContact O-N 3.23Å; V832-Q870 VanDerWaalsContact O-N 3.1Å; V832-L872 HydrophobicContact CG1-CB 4.47Å; V832-L872 HydrophobicContact CG1-CD1 4.37Å; V832-L872 HydrophobicContact CG2-CD1 3.67Å; V832-L872 HydrophobicContact CG2-CG 3.81Å |
| 833 | D | 82.6 | Confident | 83.7 | Confident | 39 Ų | 39 | 37.5 Ų | 37.5 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 156.2 | 173.1 | -157.7 | -24.7 | 0 | 0 | 0 | 110 | K665 Y787 N788 I790 | K665-D833 IonicContact NZ-OD1 2.59Å; K665-D833 PolarHBondContact NZ-OD1 2.75Å; K665-D833 IonicContact NZ-OD2 2.78Å; K665-D833 PolarHBondContact NZ-OD2 2.83Å; Y787-D833 CarbonylContact C-O 3.16Å; Y787-D833 VanDerWaalsContact CA-O 3.31Å; Y787-D833 WeakPolarHBondContact CA-O 3.41Å; N788-D833 PolarHBondContact N-O 3.44Å; N788-D833 PolarHBondContact O-N 3.38Å; I790-D833 HydrophobicContact CD1-CB 3.86Å; I790-D833 HydrophobicContact CG1-CB 3.83Å |
| 834 | Y | 75.9 | Confident | 83 | Confident | 64 Ų | 64 | 36.3 Ų | 36.3 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 135.6 | 171.6 | -164.7 | -100.4 | 0 | 0 | 0 | 110.7 | H785 Y787 T836 | H785-Y834 HydrophobicContact CB-CE2 4.17Å; H785-Y834 AromaticContact ND1-CE2 3.61Å; H785-Y834 AromaticContact ND1-CZ 3.75Å; H785-Y834 PolarHBondContact ND1-OH 3.36Å; Y787-Y834 HydrophobicContact CD1-CD2 4.25Å; Y787-Y834 AromaticContact CE1-CD2 3.76Å; Y787-Y834 HydrophobicContact CE1-CD2 3.76Å; Y787-Y834 HydrophobicContact CE1-CE2 4.48Å; Y834-T836 PolarHBondContact O-N 2.85Å |
| 835 | S | 70.1 | Confident | 82 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 121 | 173.7 | 63.1 | 0 | 0 | 0 | 0 | 110 | F786 S837 | F786-S835 PolarHBondContact O-N 2.88Å; F786-S835 PolarHBondContact O-OG 2.56Å; S835-S837 PolarHBondContact O-N 2.76Å |
| 836 | T | 66.5 | Low | 80.5 | Confident | 35 Ų | 35 | 46 Ų | 46 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 124.7 | -166.1 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | K665 Y834 R838 | K665-T836 HydrophobicContact CD-CG2 3.81Å; K665-T836 HydrophobicContact CG-CG2 4.39Å; Y834-T836 PolarHBondContact O-N 2.85Å; T836-R838 PolarHBondContact O-N 3.38Å |
| 837 | S | 67.7 | Low | 78.8 | Confident | 104 Ų | 104 | 41.7 Ų | 41.7 | 73% | 0.727 | 22% | 0.224 | S | C | * | . | trans | -65 | -19.8 | 171.2 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | S835 L839 | S835-S837 PolarHBondContact O-N 2.76Å; S837-L839 PolarHBondContact O-N 3.14Å | ||
| 838 | R | 78.4 | Confident | 76.4 | Confident | 86 Ų | 86 | 48 Ų | 48 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | trans | -72.9 | 96.5 | 177.6 | -176.2 | 179.3 | 164.4 | -175.6 | -12.4 | 110.9 | T836 N840 L841 L843 P844 | T836-R838 PolarHBondContact O-N 3.38Å; R838-N840 PolarHBondContact NE-O 3.2Å; R838-N840 PolarHBondContact NH2-O 3.35Å; R838-L841 HydrophobicContact CG-CD2 4.46Å; R838-L843 PolarHBondContact NH2-O 3.15Å; R838-P844 PolarHBondContact NH1-O 2.85Å | ||
| 839 | L | 82.9 | Confident | 73.8 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | trans | -91.2 | -15.8 | 177.8 | -64.5 | 177.9 | 0 | 0 | 0 | 114.7 | L702 L704 S837 L841 I891 P894 S895 P1320 | L702-L839 HydrophobicContact CD2-CD2 3.87Å; L704-L839 HydrophobicContact CD2-CD1 3.59Å; L704-L839 HydrophobicContact CG-CD1 4.24Å; S837-L839 PolarHBondContact O-N 3.14Å; L839-L841 PolarHBondContact O-N 3.13Å; L839-I891 HydrophobicContact CD2-CG2 4.21Å; L839-P894 HydrophobicContact CB-CG 4.45Å; L839-S895 PolarHBondContact O-OG 3.09Å; L839-P1320 HydrophobicContact CB-CB 4.13Å; L839-P1320 HydrophobicContact CB-CG 3.78Å; L839-P1320 HydrophobicContact CD1-CB 4.39Å | ||
| 840 | N | 86.2 | Confident | 71.2 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -83.4 | 104.6 | 168.2 | 178.8 | -17.7 | 0 | 0 | 0 | 109.6 | R838 L842 F1318 | R838-N840 PolarHBondContact NE-O 3.2Å; R838-N840 PolarHBondContact NH2-O 3.35Å; N840-L842 WeakPolarHBondContact OD1-CB 3.26Å; N840-L842 PolarHBondContact OD1-N 3.47Å; N840-L842 VanDerWaalsContact OD1-N 3.07Å; N840-F1318 HydrophobicContact CB-CD1 3.98Å; N840-F1318 HydrophobicContact CB-CE1 4.41Å; N840-F1318 PolarHBondContact ND2-O 3.17Å | ||
| 841 | L | 88.4 | Confident | 68.4 | Low | 10 Ų | 10 | 71.8 Ų | 71.8 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | trans | -112.3 | 19.2 | 178.5 | -56.6 | -177.6 | 0 | 0 | 0 | 112.2 | F663 P664 R838 L839 I891 C892 S895 | F663-L841 PolarHBondContact N-O 3.31Å; P664-L841 HydrophobicContact CB-CD1 4.16Å; R838-L841 HydrophobicContact CG-CD2 4.46Å; L839-L841 PolarHBondContact O-N 3.13Å; L841-I891 HydrophobicContact CD1-CG2 4.33Å; L841-C892 HydrophobicContact CD1-CB 4.39Å; L841-S895 PolarHBondContact N-OG 3.01Å | ||
| 842 | L | 86.1 | Confident | 65.5 | Low | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -74.9 | -33.3 | 175.2 | -56.7 | 177.3 | 0 | 0 | 0 | 111.6 | L662 F663 N840 Y898 R899 V1253 F1318 | L662-L842 HydrophobicContact CD2-CD2 3.71Å; F663-L842 WeakPolarHBondContact CD2-O 3.49Å; F663-L842 WeakPolarHBondContact CE2-O 3.35Å; N840-L842 WeakPolarHBondContact OD1-CB 3.26Å; N840-L842 PolarHBondContact OD1-N 3.47Å; N840-L842 VanDerWaalsContact OD1-N 3.07Å; L842-Y898 HydrophobicContact CD1-CD1 3.68Å; L842-Y898 HydrophobicContact CD1-CE1 3.75Å; L842-R899 HydrophobicContact CD2-CB 4.26Å; L842-V1253 WeakPolarHBondContact O-CG2 3.49Å; L842-F1318 HydrophobicContact CD1-CB 4.3Å; L842-F1318 HydrophobicContact CD1-CD1 3.6Å; L842-F1318 HydrophobicContact CD1-CE1 4.28Å; L842-F1318 HydrophobicContact CD1-CG 4.25Å; L842-F1318 HydrophobicContact CG-CD1 4.17Å |
| 843 | L | 81.9 | Confident | 62.8 | Low | 46 Ų | 46 | 77.5 Ų | 77.5 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -91.9 | 148.8 | 179.2 | -67.5 | 162.8 | 0 | 0 | 0 | 112.1 | F663 R838 V1253 | F663-L843 WeakPolarHBondContact CB-O 3.29Å; R838-L843 PolarHBondContact NH2-O 3.15Å; L843-V1253 HydrophobicContact CD2-CG2 3.98Å |
| 844 | P | 74.1 | Confident | 60.4 | Low | 45 Ų | 45 | 81.8 Ų | 81.8 | 29% | 0.292 | 42% | 0.421 | S | S | . | . | trans | -55.7 | 169.8 | 166.7 | -25.4 | 34.9 | 0 | 0 | 0 | 113.9 | F663 R838 A847 | F663-P844 HydrophobicContact CD1-CG 4.38Å; F663-P844 HydrophobicContact CD2-CG 4.4Å; F663-P844 HydrophobicContact CE1-CG 4.21Å; F663-P844 HydrophobicContact CE2-CG 4.23Å; F663-P844 HydrophobicContact CG-CG 4.47Å; F663-P844 HydrophobicContact CZ-CG 4.13Å; R838-P844 PolarHBondContact NH1-O 2.85Å; P844-A847 HydrophobicContact CB-CB 4.13Å; P844-A847 HydrophobicContact CG-CB 4.34Å | ||
| 845 | R | 66.5 | Low | 58.4 | Low | 139 Ų | 139 | 83.6 Ų | 83.6 | 53% | 0.525 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -78.1 | -34.7 | 175.2 | -82 | -179.8 | 147.2 | -137.9 | -19.1 | 113.5 | ||
| 846 | N | 56 | Low | 56.7 | Low | 143 Ų | 143 | 86.4 Ų | 86.4 | 77% | 0.765 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -94.7 | -1.3 | -172.1 | -57.1 | 23.6 | 0 | 0 | 0 | 113.3 | K848 | N846-K848 PolarHBondContact O-N 3.11Š|
| 847 | A | 50.9 | Low | 55.3 | Low | 61 Ų | 61 | 88.5 Ų | 88.5 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 13 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P844 | P844-A847 HydrophobicContact CB-CB 4.13Å; P844-A847 HydrophobicContact CG-CB 4.34Å |
| 848 | K | 40.8 | Very low | 53.7 | Low | 133 Ų | 133 | 88.2 Ų | 88.2 | 58% | 0.578 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 5.6 | -171.1 | -129.7 | -166.4 | 177.6 | -153.6 | 0 | 114.7 | N846 R850 E858 | N846-K848 PolarHBondContact O-N 3.11Å; K848-R850 VanDerWaalsContact C-N 3.34Å; K848-R850 PolarHBondContact O-N 3.07Å; K848-E858 IonicContact NZ-OE1 3.92Å; K848-E858 PolarHBondContact NZ-OE1 3.19Å; K848-E858 IonicContact NZ-OE2 3.27Å; K848-E858 PolarHBondContact NZ-OE2 3.05Å |
| 849 | E | 37.5 | Very low | 51.6 | Low | 184 Ų | 184 | 87.9 Ų | 87.9 | 86% | 0.86 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -92.1 | 16.8 | -169.3 | -151 | 169.4 | -122.6 | 0 | 0 | 113.7 | ||
| 850 | R | 36.1 | Very low | 49.4 | Very low | 173 Ų | 173 | 93.1 Ų | 93.1 | 65% | 0.653 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -138.3 | -5.7 | -162.8 | -82.9 | 179.2 | 175.3 | 166.6 | 2.7 | 118.6 | K848 E946 | K848-R850 VanDerWaalsContact C-N 3.34Å; K848-R850 PolarHBondContact O-N 3.07Å; R850-E946 WeakPolarHBondContact CD-OE1 3.47Å; R850-E946 IonicContact CZ-OE1 3.37Å; R850-E946 IonicContact NE-OE1 2.67Å; R850-E946 IonicContact NH1-OE1 2.71Å; R850-E946 PolarHBondContact NH1-OE1 3.21Å; R850-E946 IonicContact NH1-OE2 3.05Å; R850-E946 PolarHBondContact NH1-OE2 3.4Å |
| 851 | D | 32.7 | Very low | 46.9 | Very low | 150 Ų | 150 | 97.6 Ų | 97.6 | 80% | 0.802 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -109.7 | 158.5 | 170.7 | -92.5 | -47.2 | 0 | 0 | 0 | 111.3 | ||
| 852 | N | 27.5 | Very low | 44.2 | Very low | 97 Ų | 97 | 99.9 Ų | 99.9 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | trans | -83.9 | 178 | -155.5 | -119.1 | -11.3 | 0 | 0 | 0 | 115.9 | P1659 | N852-P1659 WeakPolarHBondContact ND2-CD 3.46Å; N852-P1659 WeakPolarHBondContact ND2-CG 3.37Å | ||
| 853 | S | 29.2 | Very low | 41.8 | Very low | 51 Ų | 51 | 105.4 Ų | 105.4 | 36% | 0.357 | 56% | 0.564 | S | S | . | * | trans | 74 | 144.1 | -170.9 | 82.9 | 0 | 0 | 0 | 0 | 113.1 | D855 | S853-D855 PolarHBondContact OG-N 2.94Š| ||
| 854 | T | 33.4 | Very low | 39.6 | Very low | 130 Ų | 130 | 107.4 Ų | 107.4 | 80% | 0.798 | 58% | 0.575 | S | S | * | * | cis | 61 | 7.8 | 41.8 | 70.4 | 0 | 0 | 0 | 0 | 115.9 | S856 | T854-S856 VanDerWaalsContact C-N 3.32Å; T854-S856 PolarHBondContact O-N 3.35Å; T854-S856 VanDerWaalsContact O-N 3.08Å | ||
| 855 | D | 33.5 | Very low | 38.1 | Very low | 101 Ų | 101 | 110.8 Ų | 110.8 | 54% | 0.54 | 59% | 0.589 | S | S | . | * | trans | -77 | 85.6 | 158 | -133.6 | -6.1 | 0 | 0 | 0 | 109 | S853 T857 E858 | S853-D855 PolarHBondContact OG-N 2.94Å; D855-T857 PolarHBondContact O-N 2.82Å; D855-E858 PolarHBondContact O-N 3.37Å | ||
| 856 | S | 34.3 | Very low | 36.8 | Very low | 77 Ų | 77 | 109.2 Ų | 109.2 | 54% | 0.538 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.1 | -8.4 | -172.9 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | T854 Q860 | T854-S856 VanDerWaalsContact C-N 3.32Å; T854-S856 PolarHBondContact O-N 3.35Å; T854-S856 VanDerWaalsContact O-N 3.08Å; S856-Q860 VanDerWaalsContact O-CD 3.28Å; S856-Q860 WeakPolarHBondContact O-CG 3.14Å |
| 857 | T | 36.6 | Very low | 36.3 | Very low | 80 Ų | 80 | 105.6 Ų | 105.6 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -81.4 | -32.2 | -178.6 | 55.1 | 0 | 0 | 0 | 0 | 114 | D855 Q861 | D855-T857 PolarHBondContact O-N 2.82Å; T857-Q861 WeakPolarHBondContact O-CG 3.27Å |
| 858 | E | 34.8 | Very low | 36.4 | Very low | 97 Ų | 97 | 107 Ų | 107 | 45% | 0.453 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -94.5 | -33.9 | 178.9 | -89.7 | -161.2 | -170.5 | 0 | 0 | 113.4 | K848 D855 Q860 Q861 A862 | K848-E858 IonicContact NZ-OE1 3.92Å; K848-E858 PolarHBondContact NZ-OE1 3.19Å; K848-E858 IonicContact NZ-OE2 3.27Å; K848-E858 PolarHBondContact NZ-OE2 3.05Å; D855-E858 PolarHBondContact O-N 3.37Å; E858-Q860 PolarHBondContact O-N 3.4Å; E858-Q861 CarbonylContact O-C 3.57Å; E858-Q861 WeakPolarHBondContact O-CA 2.93Å; E858-Q861 WeakPolarHBondContact O-CB 2.77Å; E858-Q861 PolarHBondContact O-N 3.49Å; E858-A862 PolarHBondContact O-N 2.8Å |
| 859 | S | 34.1 | Very low | 37.4 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.4 | -35.3 | 174.2 | -47.4 | 0 | 0 | 0 | 0 | 111.6 | Q861 A862 V863 | S859-Q861 VanDerWaalsContact C-N 3.31Å; S859-Q861 PolarHBondContact O-N 2.91Å; S859-A862 PolarHBondContact O-N 2.98Å; S859-V863 PolarHBondContact O-N 2.78Å |
| 860 | Q | 36.1 | Very low | 39.4 | Very low | 131 Ų | 131 | 101.8 Ų | 101.8 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.3 | -29.5 | 170.7 | -73.4 | 179.1 | -1.5 | 0 | 0 | 112.8 | S856 E858 N864 | S856-Q860 VanDerWaalsContact O-CD 3.28Å; S856-Q860 WeakPolarHBondContact O-CG 3.14Å; E858-Q860 PolarHBondContact O-N 3.4Å; Q860-N864 WeakPolarHBondContact O-CB 3.24Å; Q860-N864 PolarHBondContact O-N 3.25Å; Q860-N864 PolarHBondContact O-ND2 3.12Å |
| 861 | Q | 33.6 | Very low | 41.8 | Very low | 118 Ų | 118 | 97.3 Ų | 97.3 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.8 | -37.5 | 172.5 | -70.8 | -178.4 | 38.6 | 0 | 0 | 112.1 | T857 E858 S859 N864 I865 | T857-Q861 WeakPolarHBondContact O-CG 3.27Å; E858-Q861 CarbonylContact O-C 3.57Å; E858-Q861 WeakPolarHBondContact O-CA 2.93Å; E858-Q861 WeakPolarHBondContact O-CB 2.77Å; E858-Q861 PolarHBondContact O-N 3.49Å; S859-Q861 VanDerWaalsContact C-N 3.31Å; S859-Q861 PolarHBondContact O-N 2.91Å; Q861-N864 CarbonylContact O-C 3.57Å; Q861-N864 WeakPolarHBondContact O-CA 3.45Å; Q861-N864 WeakPolarHBondContact O-CB 3.49Å; Q861-N864 PolarHBondContact O-N 3.39Å; Q861-N864 VanDerWaalsContact O-N 3.13Å; Q861-I865 PolarHBondContact O-N 2.88Å |
| 862 | A | 32.7 | Very low | 44.5 | Very low | 57 Ų | 57 | 90.1 Ų | 90.1 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E858 S859 N864 I865 | E858-A862 PolarHBondContact O-N 2.8Å; S859-A862 PolarHBondContact O-N 2.98Å; A862-N864 PolarHBondContact O-N 3.3Å; A862-I865 WeakPolarHBondContact O-CB 3.36Å; A862-I865 WeakPolarHBondContact O-CG1 3.35Å; A862-I865 PolarHBondContact O-N 3.2Å |
| 863 | V | 35.9 | Very low | 47.6 | Very low | 121 Ų | 121 | 85.6 Ų | 85.6 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.3 | -31.8 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | S859 I865 | S859-V863 PolarHBondContact O-N 2.78Å; V863-I865 VanDerWaalsContact C-N 3.29Å; V863-I865 PolarHBondContact O-N 3.47Å |
| 864 | N | 35.7 | Very low | 50.5 | Low | 89 Ų | 89 | 83.1 Ų | 83.1 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -5.3 | 174.1 | -83.2 | -49.8 | 0 | 0 | 0 | 114.9 | Q860 Q861 A862 V866 A867 | Q860-N864 WeakPolarHBondContact O-CB 3.24Å; Q860-N864 PolarHBondContact O-N 3.25Å; Q860-N864 PolarHBondContact O-ND2 3.12Å; Q861-N864 CarbonylContact O-C 3.57Å; Q861-N864 WeakPolarHBondContact O-CA 3.45Å; Q861-N864 WeakPolarHBondContact O-CB 3.49Å; Q861-N864 PolarHBondContact O-N 3.39Å; Q861-N864 VanDerWaalsContact O-N 3.13Å; A862-N864 PolarHBondContact O-N 3.3Å; N864-V866 VanDerWaalsContact C-N 3.26Å; N864-V866 PolarHBondContact O-N 3.28Å; N864-A867 WeakPolarHBondContact O-CB 3.29Å; N864-A867 PolarHBondContact O-N 2.91Å |
| 865 | I | 41.5 | Very low | 53.2 | Low | 115 Ų | 115 | 77.2 Ų | 77.2 | 59% | 0.59 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31 | 178.5 | -67.4 | 175 | 0 | 0 | 0 | 111.7 | Q861 A862 V863 A867 | Q861-I865 PolarHBondContact O-N 2.88Å; A862-I865 WeakPolarHBondContact O-CB 3.36Å; A862-I865 WeakPolarHBondContact O-CG1 3.35Å; A862-I865 PolarHBondContact O-N 3.2Å; V863-I865 VanDerWaalsContact C-N 3.29Å; V863-I865 PolarHBondContact O-N 3.47Å; I865-A867 VanDerWaalsContact C-N 3.28Å |
| 866 | V | 41 | Very low | 55.9 | Low | 107 Ų | 107 | 72.5 Ų | 72.5 | 65% | 0.648 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -72.3 | -24.5 | 173.4 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | N864 Q868 W980 | N864-V866 VanDerWaalsContact C-N 3.26Å; N864-V866 PolarHBondContact O-N 3.28Å; V866-Q868 PolarHBondContact O-N 2.86Å; V866-W980 HydrophobicContact CG1-CZ2 4.04Å |
| 867 | A | 44.4 | Very low | 58.5 | Low | 66 Ų | 66 | 69.3 Ų | 69.3 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -87 | 5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N864 I865 | N864-A867 WeakPolarHBondContact O-CB 3.29Å; N864-A867 PolarHBondContact O-N 2.91Å; I865-A867 VanDerWaalsContact C-N 3.28Å |
| 868 | Q | 52.1 | Low | 61 | Low | 90 Ų | 90 | 66.4 Ų | 66.4 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -91.5 | -5.4 | -172.8 | -78.6 | -176 | -2.6 | 0 | 0 | 116.4 | V866 Q870 | V866-Q868 PolarHBondContact O-N 2.86Å; Q868-Q870 PolarHBondContact O-N 3.06Å |
| 869 | K | 63.6 | Low | 63.6 | Low | 147 Ų | 147 | 64.2 Ų | 64.2 | 64% | 0.639 | 35% | 0.352 | S | S | * | . | trans | -82.5 | 104.9 | 175.5 | -68.8 | -176 | -179.1 | 178.5 | 0 | 110.6 | I790 | I790-K869 HydrophobicContact CD1-CG 4.49Š| ||
| 870 | Q | 78.5 | Confident | 66.2 | Low | 62 Ų | 62 | 60.7 Ų | 60.7 | 29% | 0.29 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.3 | 178.1 | -177.4 | 151.3 | 71.1 | 0 | 0 | 111 | V832 Q868 L872 | V832-Q870 HydrophobicContact CG2-CB 4.22Å; V832-Q870 VanDerWaalsContact CG2-O 3.3Å; V832-Q870 WeakPolarHBondContact CG2-O 3.47Å; V832-Q870 PolarHBondContact N-O 2.85Å; V832-Q870 PolarHBondContact O-N 3.23Å; V832-Q870 VanDerWaalsContact O-N 3.1Å; Q868-Q870 PolarHBondContact O-N 3.06Å; Q870-L872 HydrophobicContact CG-CD2 4.01Å; Q870-L872 HydrophobicContact CG-CG 4.29Å |
| 871 | K | 87.1 | Confident | 68.6 | Low | 78 Ų | 78 | 55.6 Ų | 55.6 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.7 | 168.5 | -68.5 | 178.8 | -178.6 | 175.9 | 0 | 109.3 | L796 F810 L830 | L796-K871 HydrophobicContact CD1-CD 4.12Å; F810-K871 HydrophobicContact CE1-CB 4.05Å; F810-K871 HydrophobicContact CZ-CB 4.27Å; F810-K871 HydrophobicContact CZ-CD 4.15Å; L830-K871 CarbonylContact O-C 3.54Å; L830-K871 WeakPolarHBondContact O-CA 3.32Å |
| 872 | L | 88.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 158 | 179.5 | -70.3 | -174.9 | 0 | 0 | 0 | 111.8 | V774 Y787 L830 V832 Q870 V877 | V774-L872 HydrophobicContact CG2-CD1 4.46Å; Y787-L872 HydrophobicContact CD2-CD1 4.14Å; Y787-L872 HydrophobicContact CG-CD1 4.14Å; L830-L872 PolarHBondContact N-O 2.94Å; L830-L872 PolarHBondContact O-N 3.01Å; V832-L872 HydrophobicContact CG1-CB 4.47Å; V832-L872 HydrophobicContact CG1-CD1 4.37Å; V832-L872 HydrophobicContact CG2-CD1 3.67Å; V832-L872 HydrophobicContact CG2-CG 3.81Å; Q870-L872 HydrophobicContact CG-CD2 4.01Å; Q870-L872 HydrophobicContact CG-CG 4.29Å; L872-V877 HydrophobicContact CB-CG1 4.21Å; L872-V877 HydrophobicContact CD1-CG1 3.97Å |
| 873 | I | 91.7 | Very high | 73.9 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | trans | -103 | 123.7 | -174.5 | -51.3 | -160.9 | 0 | 0 | 0 | 109.5 | P798 F810 Y814 I822 Q827 L829 E875 L876 V877 | P798-I873 HydrophobicContact CG-CD1 4.48Å; P798-I873 HydrophobicContact CG-CG2 4.25Å; F810-I873 HydrophobicContact CB-CD1 4.29Å; Y814-I873 HydrophobicContact CD2-CD1 3.37Å; Y814-I873 HydrophobicContact CD2-CG1 4.16Å; Y814-I873 HydrophobicContact CE2-CD1 3.37Å; Y814-I873 HydrophobicContact CE2-CG1 3.66Å; Y814-I873 HydrophobicContact CG-CD1 4.4Å; I822-I873 HydrophobicContact CD1-CD1 3.34Å; I822-I873 HydrophobicContact CG1-CD1 4.46Å; I822-I873 HydrophobicContact CG2-CG2 4.36Å; Q827-I873 VanDerWaalsContact CD-CG2 3.48Å; Q827-I873 HydrophobicContact CG-CG2 4.25Å; L829-I873 HydrophobicContact CD2-CB 4.45Å; L829-I873 HydrophobicContact CD2-CD1 4.23Å; L829-I873 HydrophobicContact CD2-CG1 3.66Å; I873-E875 VanDerWaalsContact C-N 3.27Å; I873-E875 HydrophobicContact CG2-CB 4.46Å; I873-E875 PolarHBondContact O-N 2.84Å; I873-L876 HydrophobicContact CB-CB 4.22Å; I873-L876 HydrophobicContact CB-CD1 4.18Å; I873-L876 HydrophobicContact CB-CG 4.08Å; I873-L876 HydrophobicContact CD1-CD1 4.31Å; I873-L876 HydrophobicContact CG1-CD1 4.47Å; I873-L876 HydrophobicContact CG2-CG 4.28Å; I873-L876 PolarHBondContact O-N 2.81Å; I873-V877 PolarHBondContact O-N 3.05Å | ||
| 874 | P | 91.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -51.1 | -38.2 | -177.3 | -25.7 | 27.8 | 0 | 0 | 0 | 115.5 | F762 F764 Y769 Q827 A828 L830 L876 V877 | F762-P874 HydrophobicContact CE1-CB 4.08Å; F762-P874 HydrophobicContact CZ-CB 3.73Å; F764-P874 HydrophobicContact CD2-CB 3.59Å; F764-P874 HydrophobicContact CD2-CG 3.54Å; F764-P874 HydrophobicContact CE2-CB 3.82Å; F764-P874 HydrophobicContact CE2-CG 3.43Å; F764-P874 VanDerWaalsContact CE2-CG 3.43Å; F764-P874 HydrophobicContact CZ-CG 4.38Å; Y769-P874 HydrophobicContact CE1-CB 4.19Å; Y769-P874 HydrophobicContact CE2-CB 3.99Å; Y769-P874 PolarHBondContact OH-O 3.09Å; Q827-P874 HydrophobicContact CB-CG 4.46Å; Q827-P874 HydrophobicContact CG-CG 4.31Å; Q827-P874 VanDerWaalsContact OE1-CB 3.26Å; A828-P874 WeakPolarHBondContact O-CD 3.44Å; A828-P874 WeakPolarHBondContact O-CG 3.23Å; L830-P874 HydrophobicContact CD1-CG 4.29Å; L830-P874 HydrophobicContact CD2-CG 4.15Å; L830-P874 HydrophobicContact CG-CG 3.92Å; P874-L876 VanDerWaalsContact C-N 3.32Å; P874-V877 WeakPolarHBondContact O-CG2 3.16Å |
| 875 | E | 90 | Very high | 78.6 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -69 | -26.8 | 176.9 | -167.5 | -164.2 | 124.3 | 0 | 0 | 113.4 | R759 F762 W777 I822 Y823 C824 I873 | R759-E875 IonicContact CZ-OE1 2.73Å; R759-E875 IonicContact NE-OE1 2.67Å; R759-E875 PolarHBondContact NE-OE1 3.21Å; R759-E875 IonicContact NH2-OE1 2.71Å; R759-E875 PolarHBondContact NH2-OE1 2.99Å; F762-E875 HydrophobicContact CB-CG 3.99Å; F762-E875 HydrophobicContact CD1-CB 3.8Å; F762-E875 HydrophobicContact CD1-CG 3.95Å; F762-E875 HydrophobicContact CD2-CG 4.43Å; F762-E875 HydrophobicContact CE1-CB 3.95Å; F762-E875 HydrophobicContact CG-CB 4.12Å; F762-E875 HydrophobicContact CG-CG 3.87Å; F762-E875 HydrophobicContact CZ-CB 4.39Å; W777-E875 PolarHBondContact NE1-O 3.3Å; I822-E875 WeakPolarHBondContact CG2-OE2 3.47Å; Y823-E875 WeakPolarHBondContact CD2-OE1 3.4Å; Y823-E875 PolarHBondContact N-OE1 3.4Å; Y823-E875 PolarHBondContact N-OE2 2.78Å; C824-E875 PolarHBondContact N-OE2 3.07Å; I873-E875 VanDerWaalsContact C-N 3.27Å; I873-E875 HydrophobicContact CG2-CB 4.46Å; I873-E875 PolarHBondContact O-N 2.84Å |
| 876 | L | 90 | Very high | 80.7 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -95.8 | 8.9 | -176.6 | -56.8 | -173.3 | 0 | 0 | 0 | 113 | W777 Y778 Y814 L820 I822 I873 P874 | W777-L876 HydrophobicContact CH2-CD2 4.48Å; W777-L876 HydrophobicContact CZ2-CD2 3.78Å; Y778-L876 HydrophobicContact CD1-CB 4.13Å; Y778-L876 HydrophobicContact CE1-CB 4.05Å; Y814-L876 HydrophobicContact CD1-CD1 3.56Å; Y814-L876 HydrophobicContact CD2-CD1 4.1Å; Y814-L876 HydrophobicContact CE1-CD1 3.89Å; Y814-L876 HydrophobicContact CE2-CD1 4.41Å; Y814-L876 HydrophobicContact CG-CD1 3.68Å; L820-L876 HydrophobicContact CD1-CD1 4.48Å; L820-L876 HydrophobicContact CD1-CD2 4.34Å; I822-L876 HydrophobicContact CG1-CD1 4.3Å; I873-L876 HydrophobicContact CB-CB 4.22Å; I873-L876 HydrophobicContact CB-CD1 4.18Å; I873-L876 HydrophobicContact CB-CG 4.08Å; I873-L876 HydrophobicContact CD1-CD1 4.31Å; I873-L876 HydrophobicContact CG1-CD1 4.47Å; I873-L876 HydrophobicContact CG2-CG 4.28Å; I873-L876 PolarHBondContact O-N 2.81Å; P874-L876 VanDerWaalsContact C-N 3.32Å |
| 877 | V | 89.5 | Confident | 82.9 | Confident | 10 Ų | 10 | 30 Ų | 30 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.3 | 177.5 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | Y769 V774 M775 P776 L830 L872 I873 P874 | Y769-V877 HydrophobicContact CE1-CG2 4.05Å; V774-V877 HydrophobicContact CB-CB 4.04Å; V774-V877 HydrophobicContact CB-CG2 3.97Å; V774-V877 HydrophobicContact CG1-CG2 4.12Å; V774-V877 HydrophobicContact CG2-CG1 4.49Å; V774-V877 HydrophobicContact CG2-CG2 4.45Å; M775-V877 CarbonylContact O-C 3.6Å; M775-V877 WeakPolarHBondContact O-CA 3.47Å; M775-V877 WeakPolarHBondContact O-CB 3.29Å; P776-V877 HydrophobicContact CB-CG1 4.37Å; L830-V877 HydrophobicContact CD1-CG2 3.95Å; L872-V877 HydrophobicContact CB-CG1 4.21Å; L872-V877 HydrophobicContact CD1-CG1 3.97Å; I873-V877 PolarHBondContact O-N 3.05Å; P874-V877 WeakPolarHBondContact O-CG2 3.16Å |
| 878 | V | 88.4 | Confident | 84.8 | Confident | 20 Ų | 20 | 29.1 Ų | 29.1 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.4 | 167.4 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | F746 L752 P754 V774 M775 W777 | F746-V878 HydrophobicContact CE2-CG1 3.8Å; F746-V878 HydrophobicContact CZ-CG1 4.01Å; L752-V878 HydrophobicContact CB-CG1 4.28Å; L752-V878 HydrophobicContact CB-CG2 4.11Å; L752-V878 HydrophobicContact CD1-CG1 4.08Å; P754-V878 HydrophobicContact CG-CG2 4.46Å; V774-V878 CarbonylContact C-O 3.6Å; V774-V878 WeakPolarHBondContact CA-O 3.3Å; M775-V878 HydrophobicContact CG-CB 3.86Å; M775-V878 PolarHBondContact N-O 2.74Å; M775-V878 PolarHBondContact O-N 2.9Å; M775-V878 HydrophobicContact SD-CB 4.48Å; W777-V878 HydrophobicContact CB-CG2 4.24Å |
| 879 | V | 88.9 | Confident | 86.5 | Confident | 51 Ų | 51 | 26.5 Ų | 26.5 | 31% | 0.309 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.9 | 172.5 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | F746 Y769 A772 V774 | F746-V879 WeakPolarHBondContact CE2-O 3.28Å; Y769-V879 HydrophobicContact CD1-CG2 3.88Å; Y769-V879 HydrophobicContact CE1-CG2 3.49Å; Y769-V879 VanDerWaalsContact CE1-CG2 3.49Å; A772-V879 HydrophobicContact CB-CG1 4.15Å; V774-V879 HydrophobicContact CG1-CG2 4.21Å |
| 880 | H | 88.3 | Confident | 87.7 | Confident | 5 Ų | 5 | 19.5 Ų | 19.5 | 2% | 0.023 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 143.8 | 174.4 | -165.5 | -82.6 | 0 | 0 | 0 | 110.4 | Y696 F746 V773 I882 W887 | Y696-H880 AromaticContact CE1-CE1 3.54Å; Y696-H880 AromaticContact CE1-NE2 3.13Å; Y696-H880 WeakPolarHBondContact CE1-NE2 3.16Å; Y696-H880 AromaticContact CZ-NE2 2.86Å; Y696-H880 PolarHBondContact OH-NE2 2.98Å; F746-H880 AromaticContact CD1-NE2 3.96Å; F746-H880 AromaticContact CE1-CD2 3.39Å; F746-H880 WeakPolarHBondContact CE1-CD2 3.45Å; F746-H880 AromaticContact CE1-NE2 3.81Å; F746-H880 AromaticContact CZ-CD2 3.94Å; V773-H880 HydrophobicContact CB-CB 4.21Å; V773-H880 HydrophobicContact CG1-CB 4.45Å; V773-H880 WeakPolarHBondContact O-CB 3.42Å; V773-H880 PolarHBondContact O-N 3.18Å; H880-I882 VanDerWaalsContact C-N 3.26Å; H880-I882 WeakPolarHBondContact CE1-CD1 3.46Å; H880-I882 WeakPolarHBondContact CE1-CG1 3.31Å; H880-I882 WeakPolarHBondContact ND1-CB 3.18Å; H880-I882 PolarHBondContact ND1-N 3.45Å; H880-I882 PolarHBondContact O-N 3.03Å; H880-W887 AromaticContact ND1-CZ3 3.8Å |
| 881 | P | 87.5 | Confident | 88.2 | Confident | 24 Ų | 24 | 17.3 Ų | 17.3 | 16% | 0.156 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -20.9 | -179 | 26.1 | -36.4 | 0 | 0 | 0 | 114.5 | F739 E742 F746 | F739-P881 WeakPolarHBondContact CE2-O 3.22Å; E742-P881 HydrophobicContact CG-CB 4.01Å; F746-P881 HydrophobicContact CB-CG 3.79Å; F746-P881 HydrophobicContact CD1-CG 4.22Å; F746-P881 HydrophobicContact CD2-CG 4.27Å; F746-P881 VanDerWaalsContact CG-CD 3.49Å; F746-P881 HydrophobicContact CG-CG 3.85Å |
| 882 | I | 88.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.5 | 173.6 | -57.3 | 177.8 | 0 | 0 | 0 | 108.8 | V701 F739 T743 H880 M886 W887 L890 | V701-I882 HydrophobicContact CG2-CD1 4.35Å; F739-I882 HydrophobicContact CE1-CG1 4.45Å; F739-I882 HydrophobicContact CE2-CG1 4.38Å; F739-I882 HydrophobicContact CZ-CB 4.18Å; F739-I882 HydrophobicContact CZ-CG1 3.75Å; F739-I882 HydrophobicContact CZ-CG2 4.25Å; T743-I882 HydrophobicContact CG2-CD1 4.35Å; T743-I882 HydrophobicContact CG2-CG1 4.46Å; H880-I882 VanDerWaalsContact C-N 3.26Å; H880-I882 WeakPolarHBondContact CE1-CD1 3.46Å; H880-I882 WeakPolarHBondContact CE1-CG1 3.31Å; H880-I882 WeakPolarHBondContact ND1-CB 3.18Å; H880-I882 PolarHBondContact ND1-N 3.45Å; H880-I882 PolarHBondContact O-N 3.03Å; I882-M886 HydrophobicContact CG2-CB 3.91Å; I882-M886 HydrophobicContact CG2-CG 3.95Å; I882-W887 HydrophobicContact CB-CE3 4.02Å; I882-W887 HydrophobicContact CB-CZ3 4.43Å; I882-W887 HydrophobicContact CG2-CB 4.26Å; I882-W887 HydrophobicContact CG2-CE3 3.91Å; I882-L890 HydrophobicContact CD1-CD1 3.91Å; I882-L890 HydrophobicContact CG2-CD1 3.93Å |
| 883 | S | 89 | Confident | 88.5 | Confident | 18 Ų | 18 | 14 Ų | 14 | 13% | 0.126 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 157.5 | 176.4 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | D771 S885 M886 W887 | D771-S883 CarbonylContact O-C 3.59Å; D771-S883 WeakPolarHBondContact O-CA 3.15Å; D771-S883 VanDerWaalsContact O-CB 3.22Å; D771-S883 WeakPolarHBondContact O-CB 3.45Å; S883-S885 VanDerWaalsContact C-N 3.28Å; S883-S885 WeakPolarHBondContact CB-OG 3.37Å; S883-S885 PolarHBondContact O-N 2.73Å; S883-S885 PolarHBondContact OG-OG 3.43Å; S883-M886 PolarHBondContact O-N 2.77Å; S883-M886 VanDerWaalsContact O-N 3.14Å; S883-M886 VanDerWaalsContact OG-CB 3.3Å; S883-M886 WeakPolarHBondContact OG-CB 3.49Å; S883-M886 PolarHBondContact OG-N 2.86Å; S883-W887 WeakPolarHBondContact O-CB 3.39Å; S883-W887 PolarHBondContact O-N 3.09Å |
| 884 | S | 85.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 13.9 Ų | 13.9 | 13% | 0.133 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.1 | -40.4 | 177.1 | -176 | 0 | 0 | 0 | 0 | 111.4 | D771 N788 W887 A888 | D771-S884 PolarHBondContact O-N 3.08Å; D771-S884 WeakPolarHBondContact OD1-CB 3.44Å; D771-S884 PolarHBondContact OD1-N 3.31Å; N788-S884 PolarHBondContact ND2-OG 3.23Å; S884-W887 PolarHBondContact O-N 3.5Å; S884-A888 PolarHBondContact O-N 2.82Å |
| 885 | S | 84.5 | Confident | 88.7 | Confident | 26 Ų | 26 | 13.9 Ų | 13.9 | 18% | 0.182 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.6 | -50.9 | 170.5 | 55 | 0 | 0 | 0 | 0 | 113 | D771 S883 A888 L889 | D771-S885 VanDerWaalsContact CG-OG 3.29Å; D771-S885 WeakPolarHBondContact OD1-CB 3.49Å; D771-S885 PolarHBondContact OD1-N 3.42Å; D771-S885 PolarHBondContact OD1-OG 3.06Å; D771-S885 WeakPolarHBondContact OD2-CB 3.46Å; D771-S885 PolarHBondContact OD2-OG 3.33Å; S883-S885 VanDerWaalsContact C-N 3.28Å; S883-S885 WeakPolarHBondContact CB-OG 3.37Å; S883-S885 PolarHBondContact O-N 2.73Å; S883-S885 PolarHBondContact OG-OG 3.43Å; S885-A888 PolarHBondContact O-N 3.48Å; S885-L889 PolarHBondContact O-N 3.33Å |
| 886 | M | 86 | Confident | 88.8 | Confident | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.3 | -36.6 | 179.1 | -172.8 | 63.1 | 171.9 | 0 | 0 | 111.6 | L646 P724 F739 I882 S883 A888 L889 L890 | L646-M886 HydrophobicContact CD2-CE 3.51Å; L646-M886 HydrophobicContact CG-CE 3.8Å; L646-M886 HydrophobicContact CG-SD 4.48Å; P724-M886 HydrophobicContact CB-CE 4.11Å; F739-M886 HydrophobicContact CE1-CE 4.17Å; F739-M886 HydrophobicContact CE1-CG 4.38Å; F739-M886 HydrophobicContact CZ-CG 4Å; I882-M886 HydrophobicContact CG2-CB 3.91Å; I882-M886 HydrophobicContact CG2-CG 3.95Å; S883-M886 PolarHBondContact O-N 2.77Å; S883-M886 VanDerWaalsContact O-N 3.14Å; S883-M886 VanDerWaalsContact OG-CB 3.3Å; S883-M886 WeakPolarHBondContact OG-CB 3.49Å; S883-M886 PolarHBondContact OG-N 2.86Å; M886-A888 VanDerWaalsContact C-N 3.31Å; M886-A888 PolarHBondContact O-N 3.13Å; M886-L889 WeakPolarHBondContact O-CB 3.3Å; M886-L889 PolarHBondContact O-N 3.37Å; M886-L889 VanDerWaalsContact O-N 3.08Å; M886-L889 HydrophobicContact SD-CD1 4.13Å; M886-L890 WeakPolarHBondContact O-CG 3.41Å; M886-L890 PolarHBondContact O-N 3.34Å |
| 887 | W | 87.6 | Confident | 89 | Confident | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 175.4 | -160.3 | -70.9 | 0 | 0 | 0 | 112.1 | V701 V773 F786 H880 I882 S883 S884 L889 L890 I891 | V701-W887 HydrophobicContact CB-CH2 4.29Å; V701-W887 HydrophobicContact CB-CZ2 4.45Å; V701-W887 HydrophobicContact CG1-CD2 4.38Å; V701-W887 HydrophobicContact CG1-CH2 3.83Å; V701-W887 HydrophobicContact CG1-CZ2 3.69Å; V701-W887 HydrophobicContact CG1-CZ3 4.25Å; V701-W887 HydrophobicContact CG2-CH2 3.99Å; V701-W887 HydrophobicContact CG2-CZ3 4.29Å; V773-W887 HydrophobicContact CB-CE3 4.05Å; V773-W887 HydrophobicContact CB-CZ3 4.46Å; V773-W887 HydrophobicContact CG1-CD2 4.17Å; V773-W887 HydrophobicContact CG1-CE3 3.84Å; V773-W887 HydrophobicContact CG1-CH2 4.38Å; V773-W887 HydrophobicContact CG1-CZ3 3.96Å; V773-W887 HydrophobicContact CG2-CB 3.86Å; V773-W887 HydrophobicContact CG2-CD2 3.92Å; V773-W887 HydrophobicContact CG2-CE3 3.76Å; V773-W887 HydrophobicContact CG2-CG 3.98Å; F786-W887 HydrophobicContact CB-CH2 3.83Å; F786-W887 HydrophobicContact CB-CZ2 3.6Å; F786-W887 AromaticContact CD1-CH2 3.39Å; F786-W887 HydrophobicContact CD1-CH2 3.39Å; F786-W887 HydrophobicContact CD1-CZ2 4.04Å; F786-W887 HydrophobicContact CD1-CZ3 4.14Å; F786-W887 AromaticContact CD2-CH2 3.59Å; F786-W887 HydrophobicContact CD2-CH2 3.59Å; F786-W887 AromaticContact CD2-CZ2 3.51Å; F786-W887 HydrophobicContact CD2-CZ2 3.51Å; F786-W887 AromaticContact CE1-CH2 3.71Å; F786-W887 HydrophobicContact CE1-CH2 3.71Å; F786-W887 HydrophobicContact CE1-CZ3 4.47Å; F786-W887 AromaticContact CE2-CH2 3.91Å; F786-W887 HydrophobicContact CE2-CH2 3.91Å; F786-W887 HydrophobicContact CE2-CZ2 4.13Å; F786-W887 AromaticContact CG-CH2 3.32Å; F786-W887 HydrophobicContact CG-CH2 3.32Å; F786-W887 AromaticContact CG-CZ2 3.45Å; F786-W887 HydrophobicContact CG-CZ2 3.45Å; F786-W887 VanDerWaalsContact CG-CZ2 3.45Å; F786-W887 HydrophobicContact CG-CZ3 4.37Å; F786-W887 AromaticContact CZ-CH2 3.97Å; F786-W887 HydrophobicContact CZ-CH2 3.97Å; H880-W887 AromaticContact ND1-CZ3 3.8Å; I882-W887 HydrophobicContact CB-CE3 4.02Å; I882-W887 HydrophobicContact CB-CZ3 4.43Å; I882-W887 HydrophobicContact CG2-CB 4.26Å; I882-W887 HydrophobicContact CG2-CE3 3.91Å; S883-W887 WeakPolarHBondContact O-CB 3.39Å; S883-W887 PolarHBondContact O-N 3.09Å; S884-W887 PolarHBondContact O-N 3.5Å; W887-L889 VanDerWaalsContact C-N 3.3Å; W887-L889 PolarHBondContact O-N 2.85Å; W887-L890 PolarHBondContact O-N 3.26Å; W887-I891 WeakPolarHBondContact O-CG1 3.49Å; W887-I891 PolarHBondContact O-N 3Å |
| 888 | A | 84.4 | Confident | 89.2 | Confident | 48 Ų | 48 | 13.8 Ų | 13.8 | 40% | 0.397 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -63.7 | -33.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S884 S885 M886 C892 | S884-A888 PolarHBondContact O-N 2.82Å; S885-A888 PolarHBondContact O-N 3.48Å; M886-A888 VanDerWaalsContact C-N 3.31Å; M886-A888 PolarHBondContact O-N 3.13Å; A888-C892 PolarHBondContact O-SG 3Å |
| 889 | L | 87.5 | Confident | 89.5 | Confident | 35 Ų | 35 | 13.1 Ų | 13.1 | 18% | 0.183 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.5 | -39.6 | 173.4 | -51.5 | -172.8 | 0 | 0 | 0 | 111.5 | F621 L646 S885 M886 W887 C892 L893 | F621-L889 HydrophobicContact CD1-CD2 4.46Å; F621-L889 HydrophobicContact CD2-CD2 3.95Å; F621-L889 HydrophobicContact CE1-CD2 4.28Å; F621-L889 HydrophobicContact CE2-CB 4.34Å; F621-L889 HydrophobicContact CE2-CD1 4.14Å; F621-L889 HydrophobicContact CE2-CD2 3.77Å; F621-L889 HydrophobicContact CE2-CG 4.29Å; F621-L889 HydrophobicContact CG-CD2 4.3Å; F621-L889 HydrophobicContact CZ-CB 4.29Å; F621-L889 HydrophobicContact CZ-CD2 3.93Å; L646-L889 HydrophobicContact CD1-CB 3.86Å; S885-L889 PolarHBondContact O-N 3.33Å; M886-L889 WeakPolarHBondContact O-CB 3.3Å; M886-L889 PolarHBondContact O-N 3.37Å; M886-L889 VanDerWaalsContact O-N 3.08Å; M886-L889 HydrophobicContact SD-CD1 4.13Å; W887-L889 VanDerWaalsContact C-N 3.3Å; W887-L889 PolarHBondContact O-N 2.85Å; L889-C892 WeakPolarHBondContact O-CB 3.48Å; L889-C892 PolarHBondContact O-N 3.1Å; L889-C892 VanDerWaalsContact O-N 3.14Å; L889-L893 PolarHBondContact O-N 3.41Å |
| 890 | L | 89.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 177.5 | -68.6 | 172.9 | 0 | 0 | 0 | 112.3 | L646 M697 V701 I882 M886 W887 C892 L893 | L646-L890 HydrophobicContact CD1-CD2 3.9Å; L646-L890 HydrophobicContact CD1-CG 4.46Å; L646-L890 HydrophobicContact CD2-CD2 3.84Å; L646-L890 HydrophobicContact CG-CD2 4.47Å; M697-L890 HydrophobicContact CG-CD2 4.16Å; M697-L890 HydrophobicContact SD-CD2 3.32Å; M697-L890 WeakPolarHBondContact SD-CD2 3.41Å; V701-L890 HydrophobicContact CG1-CD1 4.15Å; I882-L890 HydrophobicContact CD1-CD1 3.91Å; I882-L890 HydrophobicContact CG2-CD1 3.93Å; M886-L890 WeakPolarHBondContact O-CG 3.41Å; M886-L890 PolarHBondContact O-N 3.34Å; W887-L890 PolarHBondContact O-N 3.26Å; L890-C892 PolarHBondContact O-N 2.75Å; L890-L893 WeakPolarHBondContact O-CB 3.41Å; L890-L893 PolarHBondContact O-N 3.04Å |
| 891 | I | 87.9 | Confident | 90 | Very high | 15 Ų | 15 | 11.4 Ų | 11.4 | 8% | 0.077 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.3 | -29.6 | 175.3 | -71.2 | 173.9 | 0 | 0 | 0 | 111.8 | L839 L841 W887 | L839-I891 HydrophobicContact CD2-CG2 4.21Å; L841-I891 HydrophobicContact CD1-CG2 4.33Å; W887-I891 WeakPolarHBondContact O-CG1 3.49Å; W887-I891 PolarHBondContact O-N 3Å |
| 892 | C | 89.9 | Confident | 90.3 | Very high | 8 Ų | 8 | 11.7 Ų | 11.7 | 5% | 0.054 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -76.8 | -21 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | F621 L662 L841 A888 L889 L890 S895 I896 | F621-C892 HydrophobicContact CE1-CB 4.38Å; L662-C892 HydrophobicContact CD1-CB 4.47Å; L841-C892 HydrophobicContact CD1-CB 4.39Å; A888-C892 PolarHBondContact O-SG 3Å; L889-C892 WeakPolarHBondContact O-CB 3.48Å; L889-C892 PolarHBondContact O-N 3.1Å; L889-C892 VanDerWaalsContact O-N 3.14Å; L890-C892 PolarHBondContact O-N 2.75Å; C892-S895 PolarHBondContact O-N 2.98Å; C892-S895 VanDerWaalsContact O-N 3.14Å; C892-I896 HydrophobicContact CB-CD1 3.83Å; C892-I896 HydrophobicContact CB-CG1 4.37Å; C892-I896 WeakPolarHBondContact O-CG1 3.38Å; C892-I896 PolarHBondContact O-N 3.13Å |
| 893 | L | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.7 | -43.2 | -168.1 | -171.8 | 67.2 | 0 | 0 | 0 | 114.4 | I619 L646 M697 F698 V722 L889 L890 S895 I896 L897 | I619-L893 HydrophobicContact CD1-CD1 4.07Å; L646-L893 HydrophobicContact CD1-CD1 4.42Å; M697-L893 HydrophobicContact CE-CD2 4.48Å; F698-L893 HydrophobicContact CE1-CD2 4.05Å; F698-L893 HydrophobicContact CE2-CD2 4.35Å; F698-L893 HydrophobicContact CZ-CD2 3.58Å; F698-L893 HydrophobicContact CZ-CG 4.28Å; V722-L893 HydrophobicContact CB-CD2 4.44Å; V722-L893 HydrophobicContact CG1-CD1 4.04Å; V722-L893 HydrophobicContact CG1-CD2 3.93Å; V722-L893 HydrophobicContact CG2-CD1 4.29Å; V722-L893 HydrophobicContact CG2-CD2 4.3Å; L889-L893 PolarHBondContact O-N 3.41Å; L890-L893 WeakPolarHBondContact O-CB 3.41Å; L890-L893 PolarHBondContact O-N 3.04Å; L893-S895 VanDerWaalsContact C-N 3.35Å; L893-S895 PolarHBondContact O-N 3.42Å; L893-I896 PolarHBondContact O-N 3.49Å; L893-L897 HydrophobicContact CD1-CD1 3.92Å; L893-L897 HydrophobicContact CD1-CD2 4.38Å; L893-L897 HydrophobicContact CD1-CG 3.96Å; L893-L897 HydrophobicContact CD2-CD1 4.44Å; L893-L897 HydrophobicContact CG-CD1 3.81Å; L893-L897 HydrophobicContact CG-CG 4.21Å; L893-L897 WeakPolarHBondContact O-CB 3.49Å; L893-L897 VanDerWaalsContact O-CG 3.31Å; L893-L897 WeakPolarHBondContact O-CG 3.34Å; L893-L897 PolarHBondContact O-N 3.1Å |
| 894 | P | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 177 | -25.2 | 36.4 | 0 | 0 | 0 | 112.7 | L702 L704 L839 Y898 F1318 P1320 W1324 | L702-P894 HydrophobicContact CD1-CG 4.12Å; L704-P894 HydrophobicContact CD1-CG 4.2Å; L839-P894 HydrophobicContact CB-CG 4.45Å; P894-Y898 VanDerWaalsContact O-CB 3.22Å; P894-Y898 WeakPolarHBondContact O-CB 3.44Å; P894-Y898 PolarHBondContact O-N 3.44Å; P894-F1318 HydrophobicContact CB-CZ 4.26Å; P894-P1320 HydrophobicContact CB-CB 4.22Å; P894-P1320 HydrophobicContact CB-CG 4.25Å; P894-W1324 HydrophobicContact CB-CE3 4.25Å; P894-W1324 HydrophobicContact CB-CH2 4.19Å; P894-W1324 HydrophobicContact CB-CZ3 3.76Å; P894-W1324 HydrophobicContact CG-CZ3 4.3Å |
| 895 | S | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 178.7 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | L839 L841 C892 L893 R899 | L839-S895 PolarHBondContact O-OG 3.09Å; L841-S895 PolarHBondContact N-OG 3.01Å; C892-S895 PolarHBondContact O-N 2.98Å; C892-S895 VanDerWaalsContact O-N 3.14Å; L893-S895 VanDerWaalsContact C-N 3.35Å; L893-S895 PolarHBondContact O-N 3.42Å; S895-R899 PolarHBondContact O-N 2.74Å |
| 896 | I | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.6 | -51.7 | 175.4 | -65.5 | 168 | 0 | 0 | 0 | 110.5 | I619 F621 F660 L662 V671 I673 C892 L893 R899 L900 | I619-I896 HydrophobicContact CD1-CG2 4.31Å; I619-I896 HydrophobicContact CG2-CD1 4.08Å; I619-I896 HydrophobicContact CG2-CG2 4.46Å; F621-I896 HydrophobicContact CE1-CD1 3.79Å; F621-I896 HydrophobicContact CZ-CD1 3.57Å; F660-I896 HydrophobicContact CZ-CG2 4.14Å; L662-I896 HydrophobicContact CD1-CD1 4.31Å; L662-I896 HydrophobicContact CD1-CG1 3.49Å; L662-I896 VanDerWaalsContact CD1-CG1 3.49Å; V671-I896 HydrophobicContact CG1-CD1 4.49Å; V671-I896 HydrophobicContact CG1-CG1 4.39Å; V671-I896 HydrophobicContact CG1-CG2 4.26Å; V671-I896 HydrophobicContact CG2-CG1 4.34Å; I673-I896 HydrophobicContact CD1-CG2 4.25Å; C892-I896 HydrophobicContact CB-CD1 3.83Å; C892-I896 HydrophobicContact CB-CG1 4.37Å; C892-I896 WeakPolarHBondContact O-CG1 3.38Å; C892-I896 PolarHBondContact O-N 3.13Å; L893-I896 PolarHBondContact O-N 3.49Å; I896-R899 PolarHBondContact O-N 3.33Å; I896-L900 WeakPolarHBondContact O-CB 3.08Å; I896-L900 PolarHBondContact O-N 3.49Å |
| 897 | L | 94 | Very high | 92.1 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.5 | -35.4 | -176.2 | -64.5 | 178.8 | 0 | 0 | 0 | 112.1 | I648 F698 F720 V722 L893 L900 C901 W1324 P1327 | I648-L897 HydrophobicContact CD1-CD2 3.96Å; F698-L897 HydrophobicContact CZ-CD1 4.07Å; F720-L897 HydrophobicContact CE2-CD1 4.41Å; F720-L897 HydrophobicContact CE2-CD2 3.84Å; F720-L897 HydrophobicContact CZ-CD1 4.48Å; F720-L897 HydrophobicContact CZ-CD2 4.01Å; V722-L897 HydrophobicContact CG2-CD1 4.14Å; L893-L897 HydrophobicContact CD1-CD1 3.92Å; L893-L897 HydrophobicContact CD1-CD2 4.38Å; L893-L897 HydrophobicContact CD1-CG 3.96Å; L893-L897 HydrophobicContact CD2-CD1 4.44Å; L893-L897 HydrophobicContact CG-CD1 3.81Å; L893-L897 HydrophobicContact CG-CG 4.21Å; L893-L897 WeakPolarHBondContact O-CB 3.49Å; L893-L897 VanDerWaalsContact O-CG 3.31Å; L893-L897 WeakPolarHBondContact O-CG 3.34Å; L893-L897 PolarHBondContact O-N 3.1Å; L897-L900 HydrophobicContact CD2-CD2 4.23Å; L897-C901 PolarHBondContact O-N 3.46Å; L897-C901 PolarHBondContact O-SG 3.06Å; L897-W1324 HydrophobicContact CB-CH2 4.35Å; L897-W1324 HydrophobicContact CB-CZ2 3.91Å; L897-W1324 HydrophobicContact CD1-CH2 4.32Å; L897-P1327 HydrophobicContact CD1-CG 3.79Å |
| 898 | Y | 93.7 | Very high | 92.4 | Very high | 14 Ų | 14 | 11 Ų | 11 | 6% | 0.055 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.8 | -52.2 | 172.3 | -179.7 | -90.2 | 0 | 0 | 0 | 112 | L842 P894 L900 C901 H902 V1314 F1318 W1324 | L842-Y898 HydrophobicContact CD1-CD1 3.68Å; L842-Y898 HydrophobicContact CD1-CE1 3.75Å; P894-Y898 VanDerWaalsContact O-CB 3.22Å; P894-Y898 WeakPolarHBondContact O-CB 3.44Å; P894-Y898 PolarHBondContact O-N 3.44Å; Y898-L900 VanDerWaalsContact C-N 3.34Å; Y898-L900 PolarHBondContact O-N 2.89Å; Y898-C901 PolarHBondContact O-N 2.98Å; Y898-H902 AromaticContact CD1-ND1 3.8Å; Y898-H902 AromaticContact CD2-CE1 3.63Å; Y898-H902 AromaticContact CD2-ND1 3.98Å; Y898-H902 AromaticContact CE1-CE1 3.87Å; Y898-H902 AromaticContact CE1-ND1 3.73Å; Y898-H902 AromaticContact CE2-CE1 3.31Å; Y898-H902 WeakPolarHBondContact CE2-CE1 3.33Å; Y898-H902 AromaticContact CE2-ND1 3.93Å; Y898-H902 AromaticContact CG-ND1 3.94Å; Y898-H902 AromaticContact CZ-CE1 3.45Å; Y898-H902 VanDerWaalsContact CZ-CE1 3.45Å; Y898-H902 AromaticContact CZ-ND1 3.8Å; Y898-H902 PolarHBondContact O-N 2.81Å; Y898-H902 PolarHBondContact O-ND1 3.23Å; Y898-V1314 VanDerWaalsContact OH-CG1 3.24Å; Y898-V1314 WeakPolarHBondContact OH-CG1 3.39Å; Y898-F1318 VanDerWaalsContact CB-CZ 3.5Å; Y898-F1318 HydrophobicContact CD1-CD1 4.22Å; Y898-F1318 HydrophobicContact CD1-CD2 4.24Å; Y898-F1318 HydrophobicContact CD1-CE1 4.42Å; Y898-F1318 HydrophobicContact CD1-CE2 4.43Å; Y898-F1318 HydrophobicContact CD1-CG 4.11Å; Y898-F1318 HydrophobicContact CD1-CZ 4.49Å; Y898-F1318 AromaticContact CD2-CD2 3.23Å; Y898-F1318 HydrophobicContact CD2-CD2 3.23Å; Y898-F1318 AromaticContact CD2-CE2 3.26Å; Y898-F1318 HydrophobicContact CD2-CE2 3.26Å; Y898-F1318 AromaticContact CD2-CG 3.92Å; Y898-F1318 HydrophobicContact CD2-CG 3.92Å; Y898-F1318 AromaticContact CD2-CZ 3.96Å; Y898-F1318 HydrophobicContact CD2-CZ 3.96Å; Y898-F1318 HydrophobicContact CE1-CB 4.08Å; Y898-F1318 HydrophobicContact CE1-CD1 4.5Å; Y898-F1318 HydrophobicContact CE1-CD2 4.34Å; Y898-F1318 HydrophobicContact CE1-CG 4.08Å; Y898-F1318 HydrophobicContact CE2-CB 4.1Å; Y898-F1318 AromaticContact CE2-CD2 3.34Å; Y898-F1318 HydrophobicContact CE2-CD2 3.34Å; Y898-F1318 AromaticContact CE2-CE2 3.89Å; Y898-F1318 HydrophobicContact CE2-CE2 3.89Å; Y898-F1318 AromaticContact CE2-CG 3.86Å; Y898-F1318 HydrophobicContact CE2-CG 3.86Å; Y898-F1318 HydrophobicContact CG-CD1 4.23Å; Y898-F1318 AromaticContact CG-CD2 3.7Å; Y898-F1318 HydrophobicContact CG-CD2 3.7Å; Y898-F1318 HydrophobicContact CG-CE1 4.12Å; Y898-F1318 AromaticContact CG-CE2 3.56Å; Y898-F1318 HydrophobicContact CG-CE2 3.56Å; Y898-F1318 HydrophobicContact CG-CG 4.02Å; Y898-F1318 AromaticContact CG-CZ 3.76Å; Y898-F1318 HydrophobicContact CG-CZ 3.76Å; Y898-F1318 AromaticContact CZ-CD2 3.91Å; Y898-F1318 AromaticContact CZ-CG 3.93Å; Y898-W1324 AromaticContact CD2-CD1 3.86Å |
| 899 | R | 94.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 8.9 Ų | 8.9 | 2% | 0.019 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 179.6 | -175.3 | 67.4 | 81.3 | -144.9 | 1.5 | 111.5 | F660 L842 S895 I896 H902 L903 D1252 | F660-R899 HydrophobicContact CB-CG 4.26Å; F660-R899 HydrophobicContact CD1-CG 4.13Å; F660-R899 HydrophobicContact CD2-CB 4.11Å; F660-R899 HydrophobicContact CD2-CG 3.69Å; F660-R899 HydrophobicContact CE1-CG 4.37Å; F660-R899 HydrophobicContact CE2-CB 3.88Å; F660-R899 HydrophobicContact CE2-CG 3.96Å; F660-R899 HydrophobicContact CG-CG 3.77Å; F660-R899 HydrophobicContact CZ-CB 4.15Å; F660-R899 HydrophobicContact CZ-CG 4.28Å; L842-R899 HydrophobicContact CD2-CB 4.26Å; S895-R899 PolarHBondContact O-N 2.74Å; I896-R899 PolarHBondContact O-N 3.33Å; R899-H902 PolarHBondContact O-N 3.43Å; R899-L903 HydrophobicContact CG-CD1 4.09Å; R899-L903 HydrophobicContact CG-CG 4.43Å; R899-L903 WeakPolarHBondContact O-CG 3.48Å; R899-L903 PolarHBondContact O-N 3.12Å; R899-D1252 IonicContact CZ-OD1 3.94Å; R899-D1252 IonicContact CZ-OD2 2.66Å; R899-D1252 VanDerWaalsContact CZ-OD2 3.3Å; R899-D1252 IonicContact NH1-OD1 3Å; R899-D1252 IonicContact NH1-OD2 3.9Å; R899-D1252 PolarHBondContact NH1-OD2 2.98Å; R899-D1252 VanDerWaalsContact NH2-CG 3.28Å; R899-D1252 IonicContact NH2-OD1 3.45Å; R899-D1252 PolarHBondContact NH2-OD1 2.84Å; R899-D1252 IonicContact NH2-OD2 2.75Å; R899-D1252 PolarHBondContact NH2-OD2 2.93Å |
| 900 | L | 94 | Very high | 93 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -55.9 | -50.9 | 172 | 172.6 | 60.2 | 0 | 0 | 0 | 111.9 | I648 I657 I673 I896 L897 Y898 H902 L903 L904 | I648-L900 HydrophobicContact CD1-CD2 3.6Å; I657-L900 HydrophobicContact CD1-CD1 3.58Å; I657-L900 HydrophobicContact CG1-CD1 4.47Å; I673-L900 HydrophobicContact CG1-CD1 4.39Å; I896-L900 WeakPolarHBondContact O-CB 3.08Å; I896-L900 PolarHBondContact O-N 3.49Å; L897-L900 HydrophobicContact CD2-CD2 4.23Å; Y898-L900 VanDerWaalsContact C-N 3.34Å; Y898-L900 PolarHBondContact O-N 2.89Å; L900-H902 VanDerWaalsContact C-N 3.31Å; L900-H902 PolarHBondContact O-N 3.07Å; L900-L903 PolarHBondContact O-N 2.94Å; L900-L904 HydrophobicContact CD1-CD1 3.77Å; L900-L904 HydrophobicContact CD1-CG 4.03Å; L900-L904 HydrophobicContact CG-CD1 3.97Å; L900-L904 VanDerWaalsContact O-CG 3.25Å; L900-L904 WeakPolarHBondContact O-CG 3.34Å; L900-L904 PolarHBondContact O-N 2.76Å |
| 901 | C | 93.9 | Very high | 93.1 | Very high | 19 Ų | 19 | 7.7 Ų | 7.7 | 13% | 0.128 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58 | -44 | 179.6 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | P600 L897 Y898 L904 L905 | P600-C901 HydrophobicContact CG-CB 4.47Å; P600-C901 WeakPolarHBondContact CG-O 3.43Å; L897-C901 PolarHBondContact O-N 3.46Å; L897-C901 PolarHBondContact O-SG 3.06Å; Y898-C901 PolarHBondContact O-N 2.98Å; C901-L904 WeakPolarHBondContact O-CB 3.44Å; C901-L904 PolarHBondContact O-N 2.97Å; C901-L905 WeakPolarHBondContact O-CG 3.21Å; C901-L905 PolarHBondContact O-N 2.97Å |
| 902 | H | 93.8 | Very high | 93.3 | Very high | 31 Ų | 31 | 10.3 Ų | 10.3 | 14% | 0.144 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -73.6 | -33.6 | -178 | -66.6 | 93.3 | 0 | 0 | 0 | 113.5 | Y898 R899 L900 L904 L905 A906 L1242 V1314 | Y898-H902 AromaticContact CD1-ND1 3.8Å; Y898-H902 AromaticContact CD2-CE1 3.63Å; Y898-H902 AromaticContact CD2-ND1 3.98Å; Y898-H902 AromaticContact CE1-CE1 3.87Å; Y898-H902 AromaticContact CE1-ND1 3.73Å; Y898-H902 AromaticContact CE2-CE1 3.31Å; Y898-H902 WeakPolarHBondContact CE2-CE1 3.33Å; Y898-H902 AromaticContact CE2-ND1 3.93Å; Y898-H902 AromaticContact CG-ND1 3.94Å; Y898-H902 AromaticContact CZ-CE1 3.45Å; Y898-H902 VanDerWaalsContact CZ-CE1 3.45Å; Y898-H902 AromaticContact CZ-ND1 3.8Å; Y898-H902 PolarHBondContact O-N 2.81Å; Y898-H902 PolarHBondContact O-ND1 3.23Å; R899-H902 PolarHBondContact O-N 3.43Å; L900-H902 VanDerWaalsContact C-N 3.31Å; L900-H902 PolarHBondContact O-N 3.07Å; H902-L904 VanDerWaalsContact C-N 3.31Å; H902-L904 PolarHBondContact O-N 3.24Å; H902-L905 PolarHBondContact O-N 2.91Å; H902-A906 WeakPolarHBondContact O-CB 3.48Å; H902-A906 PolarHBondContact O-N 2.86Å; H902-L1242 HydrophobicContact CB-CD1 3.64Å; H902-L1242 HydrophobicContact CB-CD2 4.15Å; H902-V1314 VanDerWaalsContact CD2-CG2 3.42Å; H902-V1314 WeakPolarHBondContact CD2-CG2 3.17Å |
| 903 | L | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.9 | -34.9 | 169.6 | -73.1 | 172.9 | 0 | 0 | 0 | 112.2 | I657 P658 F660 R899 L900 A906 D907 M933 P1238 L1242 | I657-L903 HydrophobicContact CB-CB 4.47Å; I657-L903 HydrophobicContact CD1-CD1 4.19Å; I657-L903 HydrophobicContact CG2-CB 4.22Å; P658-L903 HydrophobicContact CG-CD1 4.2Å; P658-L903 HydrophobicContact CG-CD2 3.75Å; F660-L903 HydrophobicContact CB-CD1 4.45Å; F660-L903 HydrophobicContact CD1-CD1 3.53Å; F660-L903 HydrophobicContact CE1-CD1 4.08Å; F660-L903 HydrophobicContact CG-CD1 4.26Å; R899-L903 HydrophobicContact CG-CD1 4.09Å; R899-L903 HydrophobicContact CG-CG 4.43Å; R899-L903 WeakPolarHBondContact O-CG 3.48Å; R899-L903 PolarHBondContact O-N 3.12Å; L900-L903 PolarHBondContact O-N 2.94Å; L903-A906 PolarHBondContact O-N 3.1Å; L903-D907 PolarHBondContact O-N 2.9Å; L903-M933 HydrophobicContact CD2-CE 4.47Å; L903-P1238 HydrophobicContact CD2-CB 4.45Å; L903-L1242 HydrophobicContact CD2-CB 4.42Å; L903-L1242 HydrophobicContact CD2-CD2 3.72Å; L903-L1242 HydrophobicContact CG-CD2 3.99Å |
| 904 | L | 94.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -71 | -35.1 | 173.5 | -67.7 | 170.2 | 0 | 0 | 0 | 112.5 | P600 V602 L603 L654 P655 I657 L900 C901 H902 E908 | P600-L904 HydrophobicContact CB-CB 3.79Å; P600-L904 HydrophobicContact CB-CD1 4.48Å; P600-L904 HydrophobicContact CG-CB 3.67Å; P600-L904 HydrophobicContact CG-CD1 4.42Å; V602-L904 HydrophobicContact CG2-CD1 4.41Å; V602-L904 HydrophobicContact CG2-CD2 4.3Å; L603-L904 HydrophobicContact CD1-CD1 3.73Å; L603-L904 HydrophobicContact CD2-CD1 4.39Å; L603-L904 HydrophobicContact CG-CD1 4.01Å; L654-L904 HydrophobicContact CD2-CD1 4.29Å; P655-L904 HydrophobicContact CG-CD2 3.49Å; P655-L904 VanDerWaalsContact CG-CD2 3.49Å; I657-L904 HydrophobicContact CG2-CD2 3.79Å; I657-L904 HydrophobicContact CG2-CG 4.32Å; L900-L904 HydrophobicContact CD1-CD1 3.77Å; L900-L904 HydrophobicContact CD1-CG 4.03Å; L900-L904 HydrophobicContact CG-CD1 3.97Å; L900-L904 VanDerWaalsContact O-CG 3.25Å; L900-L904 WeakPolarHBondContact O-CG 3.34Å; L900-L904 PolarHBondContact O-N 2.76Å; C901-L904 WeakPolarHBondContact O-CB 3.44Å; C901-L904 PolarHBondContact O-N 2.97Å; H902-L904 VanDerWaalsContact C-N 3.31Å; H902-L904 PolarHBondContact O-N 3.24Å; L904-E908 WeakPolarHBondContact O-CB 3.26Å; L904-E908 PolarHBondContact O-N 3.06Å |
| 905 | L | 94.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 171.1 | -72.1 | -178.7 | 0 | 0 | 0 | 111.8 | K598 P600 C901 H902 E908 L909 F1312 | K598-L905 HydrophobicContact CB-CD1 4.31Å; K598-L905 HydrophobicContact CB-CD2 3.83Å; K598-L905 HydrophobicContact CD-CD2 3.68Å; K598-L905 HydrophobicContact CG-CD2 4Å; P600-L905 HydrophobicContact CB-CD2 4.46Å; P600-L905 HydrophobicContact CG-CD2 3.92Å; P600-L905 HydrophobicContact CG-CG 3.99Å; C901-L905 WeakPolarHBondContact O-CG 3.21Å; C901-L905 PolarHBondContact O-N 2.97Å; H902-L905 PolarHBondContact O-N 2.91Å; L905-E908 PolarHBondContact O-N 3.34Å; L905-L909 PolarHBondContact O-N 3.49Å; L905-F1312 HydrophobicContact CB-CD1 4.17Å; L905-F1312 HydrophobicContact CD2-CD1 4.32Å |
| 906 | A | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H902 L903 L909 R910 P1238 I1241 L1242 L1245 | H902-A906 WeakPolarHBondContact O-CB 3.48Å; H902-A906 PolarHBondContact O-N 2.86Å; L903-A906 PolarHBondContact O-N 3.1Å; A906-L909 PolarHBondContact O-N 2.7Å; A906-R910 WeakPolarHBondContact O-CB 3.48Å; A906-R910 PolarHBondContact O-N 2.95Å; A906-P1238 HydrophobicContact CB-CB 4.21Å; A906-P1238 VanDerWaalsContact CB-O 3.29Å; A906-P1238 WeakPolarHBondContact CB-O 3.48Å; A906-I1241 HydrophobicContact CB-CB 4.1Å; A906-I1241 HydrophobicContact CB-CG2 3.75Å; A906-L1242 HydrophobicContact CB-CB 4.2Å; A906-L1245 HydrophobicContact CB-CD1 4.4Å |
| 907 | D | 93 | Very high | 92.9 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.059 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | 173.9 | -168.3 | 64.6 | 0 | 0 | 0 | 112.5 | L903 L909 R910 A911 P1238 | L903-D907 PolarHBondContact O-N 2.9Å; D907-L909 VanDerWaalsContact C-N 3.33Å; D907-L909 PolarHBondContact O-N 3.4Å; D907-R910 PolarHBondContact O-N 3.24Å; D907-R910 IonicContact OD1-CZ 3.96Å; D907-R910 IonicContact OD1-NE 2.64Å; D907-R910 PolarHBondContact OD1-NE 3.45Å; D907-R910 IonicContact OD1-NH2 2.86Å; D907-R910 PolarHBondContact OD1-NH2 2.85Å; D907-R910 IonicContact OD2-NH2 2.69Å; D907-A911 WeakPolarHBondContact O-CB 3.26Å; D907-A911 PolarHBondContact O-N 3.18Å; D907-P1238 HydrophobicContact CB-CB 4.35Å; D907-P1238 HydrophobicContact CB-CG 3.96Å |
| 908 | E | 93.5 | Very high | 92.5 | Very high | 33 Ų | 33 | 28.5 Ų | 28.5 | 15% | 0.154 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 174.8 | -168.3 | -176.1 | 128.6 | 0 | 0 | 111.5 | K601 L904 L905 R912 | K601-E908 WeakPolarHBondContact CG-OE2 3.12Å; K601-E908 PolarHBondContact N-OE2 2.86Å; K601-E908 IonicContact NZ-OE1 2.72Å; K601-E908 PolarHBondContact NZ-OE1 3.2Å; K601-E908 IonicContact NZ-OE2 3.59Å; L904-E908 WeakPolarHBondContact O-CB 3.26Å; L904-E908 PolarHBondContact O-N 3.06Å; L905-E908 PolarHBondContact O-N 3.34Å; E908-R912 VanDerWaalsContact O-CB 3.22Å; E908-R912 WeakPolarHBondContact O-CB 3.43Å; E908-R912 PolarHBondContact O-N 2.91Å |
| 909 | L | 93.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.6 | -46.5 | 175.7 | -175.4 | 60.2 | 0 | 0 | 0 | 111.6 | L905 A906 D907 R912 V913 I1241 L1245 F1312 L1403 | L905-L909 PolarHBondContact O-N 3.49Å; A906-L909 PolarHBondContact O-N 2.7Å; D907-L909 VanDerWaalsContact C-N 3.33Å; D907-L909 PolarHBondContact O-N 3.4Å; L909-R912 WeakPolarHBondContact O-CB 3.3Å; L909-R912 PolarHBondContact O-N 3.31Å; L909-V913 PolarHBondContact O-N 3.47Å; L909-I1241 HydrophobicContact CD2-CG2 4.28Å; L909-L1245 HydrophobicContact CD2-CD1 4.15Å; L909-L1245 HydrophobicContact CD2-CD2 4Å; L909-L1245 HydrophobicContact CD2-CG 4.43Å; L909-F1312 HydrophobicContact CB-CD1 4.15Å; L909-F1312 HydrophobicContact CB-CE1 4.07Å; L909-F1312 HydrophobicContact CD1-CE2 4.45Å; L909-F1312 HydrophobicContact CD1-CZ 4.41Å; L909-L1403 HydrophobicContact CD2-CD1 4.26Å; L909-L1403 HydrophobicContact CD2-CD2 4.2Å |
| 910 | R | 92.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.7 | -55.6 | 172.7 | 179.5 | -158.7 | 65.8 | 75.2 | 2.3 | 111.1 | A906 D907 R912 V913 M914 F1234 P1236 | A906-R910 WeakPolarHBondContact O-CB 3.48Å; A906-R910 PolarHBondContact O-N 2.95Å; D907-R910 PolarHBondContact O-N 3.24Å; D907-R910 IonicContact OD1-CZ 3.96Å; D907-R910 IonicContact OD1-NE 2.64Å; D907-R910 PolarHBondContact OD1-NE 3.45Å; D907-R910 IonicContact OD1-NH2 2.86Å; D907-R910 PolarHBondContact OD1-NH2 2.85Å; D907-R910 IonicContact OD2-NH2 2.69Å; R910-R912 PolarHBondContact O-N 3.17Å; R910-V913 PolarHBondContact O-N 3.11Å; R910-M914 HydrophobicContact CG-CG 4.3Å; R910-M914 WeakPolarHBondContact O-CB 3.29Å; R910-M914 VanDerWaalsContact O-CG 3.29Å; R910-M914 WeakPolarHBondContact O-CG 3.46Å; R910-M914 PolarHBondContact O-N 3.18Å; R910-F1234 PolarHBondContact NH1-O 3.49Å; R910-P1236 WeakPolarHBondContact CD-O 3.3Å; R910-P1236 HydrophobicContact CG-CG 4.18Å |
| 911 | A | 91.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.1 | -12.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D907 R915 P922 | D907-A911 WeakPolarHBondContact O-CB 3.26Å; D907-A911 PolarHBondContact O-N 3.18Å; A911-R915 VanDerWaalsContact O-CB 3.26Å; A911-R915 WeakPolarHBondContact O-CB 3.33Å; A911-R915 PolarHBondContact O-NE 2.89Å; A911-R915 PolarHBondContact O-NH2 3.49Å; A911-P922 HydrophobicContact CB-CB 4.33Å |
| 912 | R | 92 | Very high | 89.2 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 27% | 0.268 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -81.5 | -52.9 | 167.9 | -176.9 | -178.1 | 179.6 | -162.6 | -3.5 | 111.1 | E908 L909 R910 M914 R915 E916 K1307 | E908-R912 VanDerWaalsContact O-CB 3.22Å; E908-R912 WeakPolarHBondContact O-CB 3.43Å; E908-R912 PolarHBondContact O-N 2.91Å; L909-R912 WeakPolarHBondContact O-CB 3.3Å; L909-R912 PolarHBondContact O-N 3.31Å; R910-R912 PolarHBondContact O-N 3.17Å; R912-M914 PolarHBondContact O-N 3.14Å; R912-R915 PolarHBondContact O-N 3.44Å; R912-E916 HydrophobicContact CG-CG 4.28Å; R912-E916 WeakPolarHBondContact CG-OE1 3.41Å; R912-E916 IonicContact CZ-OE1 3.66Å; R912-E916 IonicContact NE-OE1 3.81Å; R912-E916 PolarHBondContact NE-OE1 3.38Å; R912-E916 IonicContact NE-OE2 2.77Å; R912-E916 IonicContact NH2-OE1 3.47Å; R912-E916 WeakPolarHBondContact O-CB 3.33Å; R912-E916 WeakPolarHBondContact O-CG 3.38Å; R912-E916 PolarHBondContact O-N 2.77Å; R912-K1307 PolarHBondContact NH1-O 3.22Å |
| 913 | V | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L909 R910 R915 E916 R917 F918 F1407 F1419 W1422 | L909-V913 PolarHBondContact O-N 3.47Å; R910-V913 PolarHBondContact O-N 3.11Å; V913-R915 PolarHBondContact O-N 2.79Å; V913-E916 PolarHBondContact O-N 3.03Å; V913-R917 PolarHBondContact O-N 3.11Å; V913-F918 HydrophobicContact CG1-CE2 4.19Å; V913-F1407 HydrophobicContact CB-CZ 4.08Å; V913-F1407 HydrophobicContact CG1-CE1 4.08Å; V913-F1407 HydrophobicContact CG1-CE2 4.47Å; V913-F1407 HydrophobicContact CG1-CZ 3.65Å; V913-F1407 HydrophobicContact CG2-CZ 4.45Å; V913-F1419 HydrophobicContact CG1-CD2 3.83Å; V913-F1419 HydrophobicContact CG2-CD2 3.98Å; V913-F1419 HydrophobicContact CG2-CE2 3.9Å; V913-W1422 HydrophobicContact CG2-CD2 4.17Å; V913-W1422 HydrophobicContact CG2-CE3 4Å; V913-W1422 HydrophobicContact CG2-CH2 3.9Å; V913-W1422 HydrophobicContact CG2-CZ2 4.07Å; V913-W1422 HydrophobicContact CG2-CZ3 3.88Å |
| 914 | M | 90.7 | Very high | 87.2 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -29.6 | -178.5 | -66.2 | -55.9 | -64.9 | 0 | 0 | 113 | R910 R912 F918 S919 V920 P1233 F1407 | R910-M914 HydrophobicContact CG-CG 4.3Å; R910-M914 WeakPolarHBondContact O-CB 3.29Å; R910-M914 VanDerWaalsContact O-CG 3.29Å; R910-M914 WeakPolarHBondContact O-CG 3.46Å; R910-M914 PolarHBondContact O-N 3.18Å; R912-M914 PolarHBondContact O-N 3.14Å; M914-F918 HydrophobicContact CE-CB 4.32Å; M914-F918 HydrophobicContact CE-CD2 4.35Å; M914-F918 HydrophobicContact CE-CG 4.44Å; M914-F918 CarbonylContact O-C 3.59Å; M914-F918 WeakPolarHBondContact O-CA 3.46Å; M914-F918 WeakPolarHBondContact O-CB 3.34Å; M914-F918 PolarHBondContact O-N 3.01Å; M914-F918 HydrophobicContact SD-CD2 3.83Å; M914-F918 HydrophobicContact SD-CE2 4.29Å; M914-F918 HydrophobicContact SD-CG 4.49Å; M914-S919 PolarHBondContact O-N 3.19Å; M914-S919 VanDerWaalsContact O-N 3.16Å; M914-V920 HydrophobicContact CB-CB 4.3Å; M914-V920 HydrophobicContact CE-CB 4.36Å; M914-V920 HydrophobicContact CE-CG2 3.99Å; M914-V920 PolarHBondContact O-N 3.43Å; M914-P1233 VanDerWaalsContact CE-O 3.27Å; M914-P1233 WeakPolarHBondContact CE-O 3.35Å; M914-F1407 HydrophobicContact SD-CE1 4.35Å |
| 915 | R | 90.5 | Very high | 86.5 | Confident | 135 Ų | 135 | 47.3 Ų | 47.3 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -82.1 | -49.2 | 175.6 | -171 | -164.8 | -39.6 | -175.7 | 5.6 | 112.6 | A911 R912 V913 S919 | A911-R915 VanDerWaalsContact O-CB 3.26Å; A911-R915 WeakPolarHBondContact O-CB 3.33Å; A911-R915 PolarHBondContact O-NE 2.89Å; A911-R915 PolarHBondContact O-NH2 3.49Å; R912-R915 PolarHBondContact O-N 3.44Å; V913-R915 PolarHBondContact O-N 2.79Å; R915-S919 PolarHBondContact O-N 2.9Å |
| 916 | E | 91.1 | Very high | 85.4 | Confident | 98 Ų | 98 | 50.9 Ų | 50.9 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.8 | -32.7 | -174.8 | -73.9 | -177.2 | -159.9 | 0 | 0 | 113.1 | R912 V913 K1307 W1422 | R912-E916 HydrophobicContact CG-CG 4.28Å; R912-E916 WeakPolarHBondContact CG-OE1 3.41Å; R912-E916 IonicContact CZ-OE1 3.66Å; R912-E916 IonicContact NE-OE1 3.81Å; R912-E916 PolarHBondContact NE-OE1 3.38Å; R912-E916 IonicContact NE-OE2 2.77Å; R912-E916 IonicContact NH2-OE1 3.47Å; R912-E916 WeakPolarHBondContact O-CB 3.33Å; R912-E916 WeakPolarHBondContact O-CG 3.38Å; R912-E916 PolarHBondContact O-N 2.77Å; V913-E916 PolarHBondContact O-N 3.03Å; E916-K1307 IonicContact OE2-NZ 3.99Å; E916-W1422 PolarHBondContact OE2-NE1 3.33Å |
| 917 | R | 89.1 | Confident | 84.5 | Confident | 95 Ų | 95 | 58.5 Ų | 58.5 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -39.1 | -179.5 | 178.1 | 65.5 | -169.2 | 80.4 | -6.1 | 114.2 | V913 G1418 E1421 W1422 | V913-R917 PolarHBondContact O-N 3.11Å; R917-G1418 WeakPolarHBondContact CD-O 2.82Å; R917-G1418 VanDerWaalsContact CG-O 3.31Å; R917-G1418 WeakPolarHBondContact CG-O 3.25Å; R917-G1418 PolarHBondContact NE-O 2.96Å; R917-E1421 IonicContact CZ-OE2 2.65Å; R917-E1421 VanDerWaalsContact CZ-OE2 3.25Å; R917-E1421 IonicContact NE-OE2 2.66Å; R917-E1421 PolarHBondContact NE-OE2 2.92Å; R917-E1421 IonicContact NH2-OE2 3.58Å; R917-E1421 PolarHBondContact NH2-OE2 3.32Å; R917-W1422 HydrophobicContact CB-CB 4.04Å; R917-W1422 HydrophobicContact CB-CG 4.28Å; R917-W1422 HydrophobicContact CG-CB 4.28Å |
| 918 | F | 86.8 | Confident | 84 | Confident | 55 Ų | 55 | 61 Ų | 61 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 0.3 | -168.6 | -57.7 | -83 | 0 | 0 | 0 | 113.8 | V913 M914 V920 K1415 | V913-F918 HydrophobicContact CG1-CE2 4.19Å; M914-F918 HydrophobicContact CE-CB 4.32Å; M914-F918 HydrophobicContact CE-CD2 4.35Å; M914-F918 HydrophobicContact CE-CG 4.44Å; M914-F918 CarbonylContact O-C 3.59Å; M914-F918 WeakPolarHBondContact O-CA 3.46Å; M914-F918 WeakPolarHBondContact O-CB 3.34Å; M914-F918 PolarHBondContact O-N 3.01Å; M914-F918 HydrophobicContact SD-CD2 3.83Å; M914-F918 HydrophobicContact SD-CE2 4.29Å; M914-F918 HydrophobicContact SD-CG 4.49Å; F918-V920 HydrophobicContact CB-CG2 4.06Å; F918-V920 PolarHBondContact O-N 3.42Å; F918-V920 VanDerWaalsContact O-N 3.11Å; F918-K1415 HydrophobicContact CE1-CG 4.42Å; F918-K1415 HydrophobicContact CZ-CB 4.31Å; F918-K1415 WeakPolarHBondContact CZ-O 3.36Å |
| 919 | S | 85.5 | Confident | 83.4 | Confident | 113 Ų | 113 | 63.8 Ų | 63.8 | 79% | 0.79 | 36% | 0.359 | S | S | * | . | trans | 56.7 | 18.3 | -177.8 | -55.5 | 0 | 0 | 0 | 0 | 115.2 | M914 R915 | M914-S919 PolarHBondContact O-N 3.19Å; M914-S919 VanDerWaalsContact O-N 3.16Å; R915-S919 PolarHBondContact O-N 2.9Å | ||
| 920 | V | 80.7 | Confident | 83.1 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | trans | -79.3 | 134.6 | 179.1 | -179 | 0 | 0 | 0 | 0 | 109.9 | M914 F918 | M914-V920 HydrophobicContact CB-CB 4.3Å; M914-V920 HydrophobicContact CE-CB 4.36Å; M914-V920 HydrophobicContact CE-CG2 3.99Å; M914-V920 PolarHBondContact O-N 3.43Å; F918-V920 HydrophobicContact CB-CG2 4.06Å; F918-V920 PolarHBondContact O-N 3.42Å; F918-V920 VanDerWaalsContact O-N 3.11Å | ||
| 921 | G | 69.7 | Low | 82.8 | Confident | 41 Ų | 41 | 70 Ų | 70 | 42% | 0.423 | 39% | 0.388 | S | S | . | . | trans | -65.9 | 148 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T923 | G921-T923 VanDerWaalsContact C-N 3.31Å; G921-T923 PolarHBondContact O-N 2.92Å | ||
| 922 | P | 69.3 | Low | 82.6 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -73.6 | -20.6 | -177.6 | 30.5 | -36.1 | 0 | 0 | 0 | 113.8 | A911 I924 | A911-P922 HydrophobicContact CB-CB 4.33Å; P922-I924 PolarHBondContact O-N 3.1Å |
| 923 | T | 70.3 | Confident | 82.4 | Confident | 120 Ų | 120 | 68.5 Ų | 68.5 | 74% | 0.736 | 39% | 0.386 | S | S | * | . | trans | -77.4 | 107.3 | -177.5 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | G921 | G921-T923 VanDerWaalsContact C-N 3.31Å; G921-T923 PolarHBondContact O-N 2.92Å | ||
| 924 | I | 77.6 | Confident | 81.8 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 14% | 0.144 | 40% | 0.398 | C | S | . | . | trans | -74.9 | 144 | 167.9 | -51.7 | 169 | 0 | 0 | 0 | 108.8 | P922 F928 W930 F1234 | P922-I924 PolarHBondContact O-N 3.1Å; I924-F928 HydrophobicContact CG2-CB 3.6Å; I924-F928 HydrophobicContact CG2-CD1 3.54Å; I924-F928 HydrophobicContact CG2-CE1 4.4Å; I924-F928 HydrophobicContact CG2-CG 3.74Å; I924-W930 HydrophobicContact CD1-CZ2 3.62Å; I924-F1234 HydrophobicContact CG1-CD1 4.45Å; I924-F1234 HydrophobicContact CG1-CG 4.37Å; I924-F1234 HydrophobicContact CG2-CD2 4.24Å; I924-F1234 HydrophobicContact CG2-CE2 4.29Å | ||
| 925 | P | 78.2 | Confident | 81 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 42% | 0.422 | 41% | 0.413 | S | S | . | . | trans | -59.6 | 136.4 | 169.4 | -22.5 | 33.4 | 0 | 0 | 0 | 111.7 | Q656 D927 F928 F1234 | Q656-P925 PolarHBondContact OE1-O 3.16Å; P925-D927 PolarHBondContact O-N 2.75Å; P925-F928 WeakPolarHBondContact O-CB 3.46Å; P925-F928 PolarHBondContact O-N 2.9Å; P925-F1234 HydrophobicContact CG-CZ 3.96Å | ||
| 926 | A | 71.7 | Confident | 80.3 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 66% | 0.661 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q656 F928 | Q656-A926 PolarHBondContact NE2-O 3.17Å; Q656-A926 PolarHBondContact OE1-O 2.88Å; A926-F928 VanDerWaalsContact C-N 3.28Å |
| 927 | D | 76.1 | Confident | 79.9 | Confident | 159 Ų | 159 | 68 Ų | 68 | 85% | 0.85 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.8 | 179.2 | -43.9 | -46.7 | 0 | 0 | 0 | 112.8 | P925 | P925-D927 PolarHBondContact O-N 2.75Š|
| 928 | F | 81.1 | Confident | 79.1 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 28% | 0.281 | 38% | 0.384 | S | S | . | . | trans | -78.1 | 130.6 | -175.7 | -173.1 | -97.5 | 0 | 0 | 0 | 111.6 | Q656 I924 P925 A926 W930 F1234 | Q656-F928 PolarHBondContact NE2-O 3.22Å; Q656-F928 PolarHBondContact OE1-O 3.46Å; I924-F928 HydrophobicContact CG2-CB 3.6Å; I924-F928 HydrophobicContact CG2-CD1 3.54Å; I924-F928 HydrophobicContact CG2-CE1 4.4Å; I924-F928 HydrophobicContact CG2-CG 3.74Å; P925-F928 WeakPolarHBondContact O-CB 3.46Å; P925-F928 PolarHBondContact O-N 2.9Å; A926-F928 VanDerWaalsContact C-N 3.28Å; F928-W930 HydrophobicContact CD1-CD2 4.42Å; F928-W930 AromaticContact CE1-CD2 3.73Å; F928-W930 HydrophobicContact CE1-CD2 3.73Å; F928-W930 AromaticContact CE1-CE2 3.97Å; F928-W930 AromaticContact CE1-CE3 3.68Å; F928-W930 HydrophobicContact CE1-CE3 3.68Å; F928-W930 HydrophobicContact CE1-CG 4.34Å; F928-W930 HydrophobicContact CE1-CH2 4.14Å; F928-W930 HydrophobicContact CE1-CZ2 4.2Å; F928-W930 AromaticContact CE1-CZ3 3.88Å; F928-W930 HydrophobicContact CE1-CZ3 3.88Å; F928-W930 HydrophobicContact CZ-CE3 4.29Å; F928-W930 HydrophobicContact CZ-CZ3 4.27Å; F928-F1234 HydrophobicContact CD2-CD2 4.47Å; F928-F1234 HydrophobicContact CD2-CE2 4.24Å; F928-F1234 HydrophobicContact CE1-CD2 4.43Å; F928-F1234 HydrophobicContact CE2-CD2 4.21Å; F928-F1234 HydrophobicContact CE2-CE2 4.31Å; F928-F1234 HydrophobicContact CZ-CD2 4.19Å | ||
| 929 | C | 82 | Confident | 78.3 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | trans | -117.7 | 114.5 | -179 | -161.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 930 | W | 87 | Confident | 77.5 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 6% | 0.064 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 144 | 171.1 | -67.1 | 113.5 | 0 | 0 | 0 | 111 | Q656 P658 I924 F928 F1234 N1237 P1238 | Q656-W930 PolarHBondContact O-NE1 3.35Å; P658-W930 HydrophobicContact CB-CB 3.88Å; I924-W930 HydrophobicContact CD1-CZ2 3.62Å; F928-W930 HydrophobicContact CD1-CD2 4.42Å; F928-W930 AromaticContact CE1-CD2 3.73Å; F928-W930 HydrophobicContact CE1-CD2 3.73Å; F928-W930 AromaticContact CE1-CE2 3.97Å; F928-W930 AromaticContact CE1-CE3 3.68Å; F928-W930 HydrophobicContact CE1-CE3 3.68Å; F928-W930 HydrophobicContact CE1-CG 4.34Å; F928-W930 HydrophobicContact CE1-CH2 4.14Å; F928-W930 HydrophobicContact CE1-CZ2 4.2Å; F928-W930 AromaticContact CE1-CZ3 3.88Å; F928-W930 HydrophobicContact CE1-CZ3 3.88Å; F928-W930 HydrophobicContact CZ-CE3 4.29Å; F928-W930 HydrophobicContact CZ-CZ3 4.27Å; W930-F1234 HydrophobicContact CH2-CB 4.33Å; W930-N1237 HydrophobicContact CE3-CB 3.79Å; W930-N1237 HydrophobicContact CZ3-CB 4.02Å; W930-P1238 HydrophobicContact CZ2-CG 4.17Å |
| 931 | E | 86.8 | Confident | 76.7 | Confident | 121 Ų | 121 | 63 Ų | 63 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 142.8 | 170.3 | -64.4 | -165.9 | 161.4 | 0 | 0 | 111.4 | P658 N1237 R1239 | P658-E931 WeakPolarHBondContact CB-O 3.5Å; E931-N1237 PolarHBondContact O-ND2 3.24Å; E931-R1239 IonicContact OE2-CZ 3.61Å; E931-R1239 VanDerWaalsContact OE2-CZ 3.25Å; E931-R1239 IonicContact OE2-NH1 2.75Å; E931-R1239 PolarHBondContact OE2-NH1 3.11Å; E931-R1239 IonicContact OE2-NH2 3.88Å; E931-R1239 PolarHBondContact OE2-NH2 2.93Å |
| 932 | P | 86.2 | Confident | 76.2 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 29% | 0.292 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 152.5 | -177.6 | 31 | -37.1 | 0 | 0 | 0 | 113 | K659 D934 R1239 | K659-P932 HydrophobicContact CB-CB 4.2Å; K659-P932 CarbonylContact O-C 3.57Å; K659-P932 WeakPolarHBondContact O-CA 3.3Å; P932-D934 HydrophobicContact CB-CB 4.12Å; P932-D934 HydrophobicContact CG-CB 4.09Å; P932-D934 PolarHBondContact O-N 2.86Å; P932-R1239 PolarHBondContact O-NH1 2.89Å |
| 933 | M | 87.8 | Confident | 75.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -82.4 | 71.8 | 154.1 | 176.1 | -177.9 | -72 | 0 | 0 | 107.5 | K659 F660 C661 L903 W937 L938 R1239 L1242 F1254 | K659-M933 PolarHBondContact O-N 3.2Å; F660-M933 WeakPolarHBondContact CA-O 3.35Å; F660-M933 HydrophobicContact CB-CB 4.05Å; F660-M933 HydrophobicContact CB-CG 4.36Å; F660-M933 HydrophobicContact CB-SD 4.1Å; C661-M933 PolarHBondContact N-O 2.71Å; L903-M933 HydrophobicContact CD2-CE 4.47Å; M933-W937 HydrophobicContact CB-CE3 4.25Å; M933-W937 HydrophobicContact CE-CE3 4.48Å; M933-W937 HydrophobicContact CE-CH2 3.89Å; M933-W937 HydrophobicContact CE-CZ3 3.7Å; M933-W937 HydrophobicContact CG-CE3 3.64Å; M933-W937 HydrophobicContact CG-CZ3 3.68Å; M933-W937 HydrophobicContact SD-CZ3 4.21Å; M933-L938 HydrophobicContact CG-CD1 4.44Å; M933-L938 HydrophobicContact CG-CD2 4.01Å; M933-L938 HydrophobicContact CG-CG 4.06Å; M933-L938 HydrophobicContact SD-CD2 4.41Å; M933-R1239 HydrophobicContact CB-CB 4.35Å; M933-R1239 HydrophobicContact CE-CB 3.85Å; M933-L1242 HydrophobicContact CE-CD2 4.19Å; M933-F1254 HydrophobicContact CE-CE1 3.88Å; M933-F1254 HydrophobicContact CE-CZ 3.99Å; M933-F1254 HydrophobicContact SD-CE1 4.13Å |
| 934 | D | 79.8 | Confident | 74.1 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | trans | -88.5 | -179.3 | 178.4 | 68 | 30.4 | 0 | 0 | 0 | 112.6 | P932 T936 W937 L938 | P932-D934 HydrophobicContact CB-CB 4.12Å; P932-D934 HydrophobicContact CG-CB 4.09Å; P932-D934 PolarHBondContact O-N 2.86Å; D934-T936 VanDerWaalsContact CG-OG1 3.28Å; D934-T936 PolarHBondContact O-N 3.22Å; D934-T936 WeakPolarHBondContact OD1-CA 3.49Å; D934-T936 WeakPolarHBondContact OD1-CB 3.45Å; D934-T936 PolarHBondContact OD1-N 2.82Å; D934-T936 PolarHBondContact OD1-OG1 3Å; D934-T936 PolarHBondContact OD2-OG1 3.18Å; D934-W937 PolarHBondContact O-N 3.03Å; D934-W937 PolarHBondContact OD1-N 3.13Å; D934-L938 VanDerWaalsContact O-CB 3.25Å; D934-L938 WeakPolarHBondContact O-CB 3.43Å; D934-L938 WeakPolarHBondContact O-CD1 3.19Å; D934-L938 VanDerWaalsContact O-CG 3.23Å; D934-L938 WeakPolarHBondContact O-CG 3.32Å; D934-L938 PolarHBondContact O-N 3.47Å | ||
| 935 | V | 73.9 | Confident | 72 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -27.4 | -178.2 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | I624 A668 H939 | I624-V935 HydrophobicContact CD1-CG2 3.69Å; A668-V935 HydrophobicContact CB-CG2 3.88Å; V935-H939 VanDerWaalsContact O-CB 3.24Å; V935-H939 WeakPolarHBondContact O-CB 3.32Å; V935-H939 PolarHBondContact O-N 3.44Å |
| 936 | T | 76.5 | Confident | 69.8 | Low | 96 Ų | 96 | 60.7 Ų | 60.7 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -77.6 | -45.1 | 177.5 | 17 | 0 | 0 | 0 | 0 | 112.4 | D934 L938 H939 N940 | D934-T936 VanDerWaalsContact CG-OG1 3.28Å; D934-T936 PolarHBondContact O-N 3.22Å; D934-T936 WeakPolarHBondContact OD1-CA 3.49Å; D934-T936 WeakPolarHBondContact OD1-CB 3.45Å; D934-T936 PolarHBondContact OD1-N 2.82Å; D934-T936 PolarHBondContact OD1-OG1 3Å; D934-T936 PolarHBondContact OD2-OG1 3.18Å; T936-L938 VanDerWaalsContact C-N 3.35Å; T936-H939 PolarHBondContact O-N 3.43Å; T936-N940 PolarHBondContact O-N 3.02Å |
| 937 | W | 80.7 | Confident | 67.8 | Low | 27 Ų | 27 | 61.1 Ų | 61.1 | 10% | 0.102 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -46 | 170.2 | 179.8 | 91.6 | 0 | 0 | 0 | 110.6 | M933 D934 H939 N940 A941 R1239 D1240 E1243 F1254 | M933-W937 HydrophobicContact CB-CE3 4.25Å; M933-W937 HydrophobicContact CE-CE3 4.48Å; M933-W937 HydrophobicContact CE-CH2 3.89Å; M933-W937 HydrophobicContact CE-CZ3 3.7Å; M933-W937 HydrophobicContact CG-CE3 3.64Å; M933-W937 HydrophobicContact CG-CZ3 3.68Å; M933-W937 HydrophobicContact SD-CZ3 4.21Å; D934-W937 PolarHBondContact O-N 3.03Å; D934-W937 PolarHBondContact OD1-N 3.13Å; W937-H939 VanDerWaalsContact C-N 3.29Å; W937-H939 PolarHBondContact O-N 2.7Å; W937-N940 PolarHBondContact O-N 2.94Å; W937-N940 VanDerWaalsContact O-N 3.1Å; W937-A941 HydrophobicContact CE3-CB 4.36Å; W937-A941 HydrophobicContact CH2-CB 4.05Å; W937-A941 HydrophobicContact CZ2-CB 4.29Å; W937-A941 HydrophobicContact CZ3-CB 4.09Å; W937-A941 PolarHBondContact O-N 2.8Å; W937-R1239 HydrophobicContact CD2-CG 4.49Å; W937-R1239 HydrophobicContact CZ2-CB 4.37Å; W937-R1239 HydrophobicContact CZ2-CG 3.97Å; W937-D1240 PolarHBondContact NE1-OD1 3.45Å; W937-E1243 HydrophobicContact CH2-CB 4.27Å; W937-E1243 HydrophobicContact CZ2-CB 4.29Å; W937-E1243 WeakPolarHBondContact CZ2-OE2 3.48Å; W937-F1254 AromaticContact CH2-CD1 3.92Å; W937-F1254 HydrophobicContact CH2-CD1 3.92Å; W937-F1254 HydrophobicContact CH2-CE1 4.1Å; W937-F1254 HydrophobicContact CH2-CG 4.22Å; W937-F1254 AromaticContact CZ3-CD1 3.71Å; W937-F1254 HydrophobicContact CZ3-CD1 3.71Å; W937-F1254 AromaticContact CZ3-CE1 3.89Å; W937-F1254 HydrophobicContact CZ3-CE1 3.89Å; W937-F1254 HydrophobicContact CZ3-CG 4.41Å |
| 938 | L | 74.3 | Confident | 65.4 | Low | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 175.4 | -76.1 | 167 | 0 | 0 | 0 | 111.3 | C661 F663 M933 D934 T936 N940 A941 S942 V1253 F1254 | C661-L938 HydrophobicContact CB-CD1 3.7Å; F663-L938 HydrophobicContact CE2-CD1 4.4Å; F663-L938 HydrophobicContact CZ-CD1 4.16Å; M933-L938 HydrophobicContact CG-CD1 4.44Å; M933-L938 HydrophobicContact CG-CD2 4.01Å; M933-L938 HydrophobicContact CG-CG 4.06Å; M933-L938 HydrophobicContact SD-CD2 4.41Å; D934-L938 VanDerWaalsContact O-CB 3.25Å; D934-L938 WeakPolarHBondContact O-CB 3.43Å; D934-L938 WeakPolarHBondContact O-CD1 3.19Å; D934-L938 VanDerWaalsContact O-CG 3.23Å; D934-L938 WeakPolarHBondContact O-CG 3.32Å; D934-L938 PolarHBondContact O-N 3.47Å; T936-L938 VanDerWaalsContact C-N 3.35Å; L938-N940 VanDerWaalsContact C-N 3.31Å; L938-N940 PolarHBondContact O-N 2.75Å; L938-A941 PolarHBondContact O-N 3.03Å; L938-S942 VanDerWaalsContact O-CB 3.25Å; L938-S942 WeakPolarHBondContact O-CB 3.48Å; L938-S942 PolarHBondContact O-N 3.11Å; L938-S942 PolarHBondContact O-OG 2.75Å; L938-V1253 HydrophobicContact CB-CG1 4.25Å; L938-V1253 HydrophobicContact CD2-CB 4.06Å; L938-V1253 HydrophobicContact CD2-CG1 3.84Å; L938-F1254 HydrophobicContact CD2-CD1 3.91Å; L938-F1254 HydrophobicContact CD2-CE1 4.13Å |
| 939 | H | 68.8 | Low | 62.9 | Low | 85 Ų | 85 | 60.6 Ų | 60.6 | 39% | 0.394 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.8 | -31 | 177.8 | -164.3 | 9.6 | 0 | 0 | 0 | 112.5 | V935 T936 W937 S942 R943 | V935-H939 VanDerWaalsContact O-CB 3.24Å; V935-H939 WeakPolarHBondContact O-CB 3.32Å; V935-H939 PolarHBondContact O-N 3.44Å; T936-H939 PolarHBondContact O-N 3.43Å; W937-H939 VanDerWaalsContact C-N 3.29Å; W937-H939 PolarHBondContact O-N 2.7Å; H939-S942 WeakPolarHBondContact CA-OG 3.4Å; H939-S942 PolarHBondContact O-OG 3.45Å; H939-R943 PolarHBondContact CD2-NH2 3.34Å; H939-R943 PolarHBondContact CE1-NE 3.37Å; H939-R943 PolarHBondContact ND1-NE 2.95Å; H939-R943 PolarHBondContact NE2-NE 3.42Å; H939-R943 PolarHBondContact NE2-NH2 3.23Å; H939-R943 VanDerWaalsContact O-CB 3.32Å; H939-R943 WeakPolarHBondContact O-CB 3.16Å; H939-R943 WeakPolarHBondContact O-CD 3.25Å; H939-R943 WeakPolarHBondContact O-CG 3.39Å; H939-R943 PolarHBondContact O-N 3.45Å |
| 940 | N | 68.7 | Low | 60.2 | Low | 101 Ų | 101 | 61.2 Ų | 61.2 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.8 | -47.4 | 173.1 | -65.2 | -15 | 0 | 0 | 0 | 110.9 | T936 W937 L938 S942 R943 C944 | T936-N940 PolarHBondContact O-N 3.02Å; W937-N940 PolarHBondContact O-N 2.94Å; W937-N940 VanDerWaalsContact O-N 3.1Å; L938-N940 VanDerWaalsContact C-N 3.31Å; L938-N940 PolarHBondContact O-N 2.75Å; N940-S942 VanDerWaalsContact C-N 3.26Å; N940-S942 PolarHBondContact O-N 3.24Å; N940-R943 PolarHBondContact O-N 2.88Å; N940-C944 PolarHBondContact O-N 2.95Å |
| 941 | A | 64.5 | Low | 57.2 | Low | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.9 | -19.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W937 L938 C944 E1243 F1254 | W937-A941 HydrophobicContact CE3-CB 4.36Å; W937-A941 HydrophobicContact CH2-CB 4.05Å; W937-A941 HydrophobicContact CZ2-CB 4.29Å; W937-A941 HydrophobicContact CZ3-CB 4.09Å; W937-A941 PolarHBondContact O-N 2.8Å; L938-A941 PolarHBondContact O-N 3.03Å; A941-C944 WeakPolarHBondContact O-CB 3.32Å; A941-E1243 WeakPolarHBondContact CB-OE1 3.5Å; A941-F1254 HydrophobicContact CB-CB 3.66Å; A941-F1254 HydrophobicContact CB-CG 4.49Å |
| 942 | S | 59.5 | Low | 54.4 | Low | 27 Ų | 27 | 66 Ų | 66 | 19% | 0.189 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -103.1 | -6.5 | 173.1 | 59 | 0 | 0 | 0 | 0 | 114.6 | L938 H939 N940 A945 E946 V1253 | L938-S942 VanDerWaalsContact O-CB 3.25Å; L938-S942 WeakPolarHBondContact O-CB 3.48Å; L938-S942 PolarHBondContact O-N 3.11Å; L938-S942 PolarHBondContact O-OG 2.75Å; H939-S942 WeakPolarHBondContact CA-OG 3.4Å; H939-S942 PolarHBondContact O-OG 3.45Å; N940-S942 VanDerWaalsContact C-N 3.26Å; N940-S942 PolarHBondContact O-N 3.24Å; S942-A945 WeakPolarHBondContact O-CA 3.49Å; S942-A945 VanDerWaalsContact O-CB 3.31Å; S942-A945 WeakPolarHBondContact O-CB 3.4Å; S942-A945 PolarHBondContact O-N 3.4Å; S942-E946 PolarHBondContact O-N 3.44Å; S942-E946 VanDerWaalsContact O-N 3.1Å; S942-V1253 WeakPolarHBondContact CA-O 3.36Å; S942-V1253 WeakPolarHBondContact CB-O 3.34Å |
| 943 | R | 51.2 | Low | 51.5 | Low | 78 Ų | 78 | 71.6 Ų | 71.6 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.1 | -27 | 159.2 | -85.9 | 166.8 | -166.4 | -145.9 | -3.4 | 110.1 | H939 N940 A945 A1522 H1523 S1524 | H939-R943 PolarHBondContact CD2-NH2 3.34Å; H939-R943 PolarHBondContact CE1-NE 3.37Å; H939-R943 PolarHBondContact ND1-NE 2.95Å; H939-R943 PolarHBondContact NE2-NE 3.42Å; H939-R943 PolarHBondContact NE2-NH2 3.23Å; H939-R943 VanDerWaalsContact O-CB 3.32Å; H939-R943 WeakPolarHBondContact O-CB 3.16Å; H939-R943 WeakPolarHBondContact O-CD 3.25Å; H939-R943 WeakPolarHBondContact O-CG 3.39Å; H939-R943 PolarHBondContact O-N 3.45Å; N940-R943 PolarHBondContact O-N 2.88Å; R943-A945 PolarHBondContact O-N 3.22Å; R943-A1522 HydrophobicContact CB-CB 3.86Å; R943-A1522 WeakPolarHBondContact CB-O 3.49Å; R943-A1522 HydrophobicContact CG-CB 4.32Å; R943-H1523 CarbonylContact O-C 3.56Å; R943-S1524 VanDerWaalsContact O-CA 3.24Å; R943-S1524 WeakPolarHBondContact O-CA 3.47Å; R943-S1524 PolarHBondContact O-N 2.7Å |
| 944 | C | 42.6 | Very low | 48.7 | Very low | 14 Ų | 14 | 75.2 Ų | 75.2 | 10% | 0.095 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 33.2 | 151.7 | -78.6 | 0 | 0 | 0 | 0 | 115.2 | N940 A941 P1525 | N940-C944 PolarHBondContact O-N 2.95Å; A941-C944 WeakPolarHBondContact O-CB 3.32Å; C944-P1525 VanDerWaalsContact CA-CD 3.42Å; C944-P1525 WeakPolarHBondContact O-CD 2.91Å; C944-P1525 WeakPolarHBondContact O-CG 3.44Å |
| 945 | A | 34.4 | Very low | 46.2 | Very low | 63 Ų | 63 | 78.7 Ų | 78.7 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.9 | -45.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S942 R943 | S942-A945 WeakPolarHBondContact O-CA 3.49Å; S942-A945 VanDerWaalsContact O-CB 3.31Å; S942-A945 WeakPolarHBondContact O-CB 3.4Å; S942-A945 PolarHBondContact O-N 3.4Å; R943-A945 PolarHBondContact O-N 3.22Å |
| 946 | E | 32.5 | Very low | 43.9 | Very low | 88 Ų | 88 | 82.7 Ų | 82.7 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | trans | -129.3 | 126.1 | -176.1 | -60.1 | -159 | 136.1 | 0 | 0 | 115.2 | R850 S942 | R850-E946 WeakPolarHBondContact CD-OE1 3.47Å; R850-E946 IonicContact CZ-OE1 3.37Å; R850-E946 IonicContact NE-OE1 2.67Å; R850-E946 IonicContact NH1-OE1 2.71Å; R850-E946 PolarHBondContact NH1-OE1 3.21Å; R850-E946 IonicContact NH1-OE2 3.05Å; R850-E946 PolarHBondContact NH1-OE2 3.4Å; S942-E946 PolarHBondContact O-N 3.44Å; S942-E946 VanDerWaalsContact O-N 3.1Å | ||
| 947 | T | 29.2 | Very low | 41.5 | Very low | 90 Ų | 90 | 84.1 Ų | 84.1 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | -178 | 133.9 | 105.4 | 23.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 948 | A | 25.9 | Very low | 38.7 | Very low | 94 Ų | 94 | 90.8 Ų | 90.8 | 78% | 0.777 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 123.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | S950 | A948-S950 PolarHBondContact O-N 2.97Š|
| 949 | P | 28.8 | Very low | 36.5 | Very low | 117 Ų | 117 | 96.8 Ų | 96.8 | 76% | 0.76 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 120.6 | -174.9 | 28.8 | -33.7 | 0 | 0 | 0 | 111.5 | ||
| 950 | S | 24 | Very low | 34.3 | Very low | 104 Ų | 104 | 98.2 Ų | 98.2 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -74 | 130.1 | 156.5 | 56.9 | 0 | 0 | 0 | 0 | 109.1 | A948 P952 | A948-S950 PolarHBondContact O-N 2.97Å; S950-P952 WeakPolarHBondContact O-CD 3.35Å |
| 951 | P | 26 | Very low | 32.1 | Very low | 125 Ų | 125 | 97.4 Ų | 97.4 | 81% | 0.812 | 60% | 0.602 | S | S | * | * | trans | -89.2 | 107.5 | 171.8 | 31.9 | -30.1 | 0 | 0 | 0 | 110.9 | ||||
| 952 | P | 27.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 104.4 Ų | 104.4 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | trans | -83.2 | 135.9 | 178.7 | 32.9 | -34.5 | 0 | 0 | 0 | 112.8 | S950 | S950-P952 WeakPolarHBondContact O-CD 3.35Š| ||
| 953 | K | 25.7 | Very low | 28.7 | Very low | 163 Ų | 163 | 112.1 Ų | 112.1 | 71% | 0.709 | 67% | 0.672 | S | S | * | * | trans | 63.8 | 89 | 158 | -62.8 | -167.3 | 169.6 | -160.8 | 0 | 118.4 | E956 | K953-E956 IonicContact NZ-OE1 2.71Å; K953-E956 PolarHBondContact NZ-OE1 3.48Å | ||
| 954 | G | 28.9 | Very low | 27.4 | Very low | 77 Ų | 77 | 114.5 Ų | 114.5 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | S | Bend | -64.5 | 152.4 | 122.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||
| 955 | S | 27.1 | Very low | 26.6 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 150.8 | -166.5 | 50.4 | 0 | 0 | 0 | 0 | 116.8 | ||
| 956 | E | 24.5 | Very low | 26.1 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 136.7 | 164.5 | -66.6 | 136.7 | -166.3 | 0 | 0 | 113 | K953 | K953-E956 IonicContact NZ-OE1 2.71Å; K953-E956 PolarHBondContact NZ-OE1 3.48Å |
| 957 | V | 26.4 | Very low | 25.7 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | trans | -155.7 | 105.6 | 138.1 | 170.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 958 | E | 23.4 | Very low | 25.7 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | 56.7 | 148.1 | 141.1 | -55 | -178.7 | 161.7 | 0 | 0 | 124.9 | ||||
| 959 | N | 26.8 | Very low | 25.8 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 84.8 | 88.1 | 151.4 | -60.2 | -37.1 | 0 | 0 | 0 | 122.2 | ||||
| 960 | C | 22.6 | Very low | 25.6 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | 69.2 | 98.8 | 118.5 | -63.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 961 | A | 23 | Very low | 25.7 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | 80.4 | 155.2 | 111.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 962 | N | 24.1 | Very low | 25.6 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 66.9 | 103 | 162.4 | -58.6 | -19.5 | 0 | 0 | 0 | 119.1 | ||||
| 963 | Q | 28.1 | Very low | 25.5 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | -168.9 | 162.8 | 95.3 | -98.2 | 176.6 | 16.5 | 0 | 0 | 112.1 | |||||
| 964 | T | 23.6 | Very low | 25.4 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -145.5 | 169.3 | -172.7 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 965 | V | 25.5 | Very low | 25.3 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | trans | 67.3 | 119.3 | 164.3 | -129.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 966 | K | 24.1 | Very low | 25.3 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | -175.5 | 149.1 | 67.6 | -84.2 | 171 | -176.6 | 171 | 0 | 112.9 | |||||
| 967 | S | 25.7 | Very low | 25.4 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -146.3 | 156.3 | 146.9 | 62.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 968 | T | 29.1 | Very low | 25.5 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | -132.9 | 117.8 | -164 | 50.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 969 | V | 26.4 | Very low | 25.9 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 36.4 | 149.1 | 135.9 | -152.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 970 | I | 25.1 | Very low | 25.8 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | 102.8 | 127.7 | 169.1 | -60.5 | 170.1 | 0 | 0 | 0 | 112.4 | ||||
| 971 | D | 26.4 | Very low | 26.2 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 61% | 0.61 | 75% | 0.754 | S | S | * | * | cis | -144.4 | 164.9 | 5.8 | -145.7 | 1.4 | 0 | 0 | 0 | 115.6 | ||||
| 972 | K | 25 | Very low | 26.6 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 64% | 0.635 | 76% | 0.756 | S | S | * | * | trans | 21.4 | 116.6 | 154.3 | -75 | 163.7 | -162.2 | 72.4 | 0 | 122.3 | ||||
| 973 | L | 24.8 | Very low | 26.7 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | -151.2 | 131 | 117.7 | -112 | 167.3 | 0 | 0 | 0 | 108.5 | |||||
| 974 | D | 23.3 | Very low | 26.8 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -86.1 | 123.1 | -158.9 | -53.9 | -61.5 | 0 | 0 | 0 | 114.8 | ||||
| 975 | F | 26.3 | Very low | 27 | Very low | 208 Ų | 208 | 143.7 Ų | 143.7 | 91% | 0.912 | 76% | 0.758 | S | S | * | * | trans | -148.3 | 142.7 | 151.7 | -93.9 | -75.9 | 0 | 0 | 0 | 109.7 | ||||
| 976 | E | 26.3 | Very low | 27.1 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -66.1 | 133.1 | -172 | -61.7 | 177.7 | 160.8 | 0 | 0 | 113 | K817 | K817-E976 IonicContact NZ-OE2 2.61Š| ||
| 977 | I | 28 | Very low | 27.2 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -124.9 | 135.2 | 170.3 | -62.2 | 176.1 | 0 | 0 | 0 | 108.6 | ||||
| 978 | S | 28.5 | Very low | 27.4 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | trans | -140.2 | 160.8 | 168.3 | 45.1 | 0 | 0 | 0 | 0 | 108.4 | D804 | D804-S978 WeakPolarHBondContact OD1-CB 3.38Å; D804-S978 WeakPolarHBondContact OD2-CB 3.36Å | ||
| 979 | V | 32.2 | Very low | 27.4 | Very low | 99 Ų | 99 | 147 Ų | 147 | 60% | 0.6 | 77% | 0.766 | S | S | * | * | -128.4 | 161.5 | -103.8 | 132 | 0 | 0 | 0 | 0 | 115.7 | D804 | D804-V979 PolarHBondContact OD1-N 3.27Š| |||
| 980 | W | 24.8 | Very low | 27.4 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -67.4 | 141.1 | 169.1 | -83.5 | 39.5 | 0 | 0 | 0 | 111.7 | V866 | V866-W980 HydrophobicContact CG1-CZ2 4.04Š| ||
| 981 | N | 30.6 | Very low | 27.5 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | -120.4 | 114.8 | 161.6 | -163.4 | -23.1 | 0 | 0 | 0 | 110.6 | E983 | N981-E983 PolarHBondContact O-N 2.92Š| ||
| 982 | P | 30.9 | Very low | 27.7 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -100 | 59.5 | -169 | 39.7 | -36.5 | 0 | 0 | 0 | 114 | ||||
| 983 | E | 26.4 | Very low | 27.9 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -139.8 | 58.5 | -170.3 | -142.4 | 167.6 | -109 | 0 | 0 | 116.1 | N981 | N981-E983 PolarHBondContact O-N 2.92Š| ||
| 984 | E | 28.8 | Very low | 28.2 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -133 | 68.7 | 166.1 | -80.4 | -159.8 | 142.6 | 0 | 0 | 112.9 | ||||
| 985 | A | 28.8 | Very low | 29 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -163.1 | 53.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 986 | Q | 26.7 | Very low | 29.1 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | -154.5 | 121.5 | 165.9 | -123.9 | 162.9 | 81.3 | 0 | 0 | 115.2 | ||||
| 987 | V | 27.6 | Very low | 29.3 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -148.7 | 132.2 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 988 | P | 30.3 | Very low | 29.4 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | -119.3 | -164.1 | -98.4 | 41.5 | -37 | 0 | 0 | 0 | 114.9 | |||||
| 989 | E | 27.3 | Very low | 29.4 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -53.8 | 156.9 | -172.7 | -55.9 | 167.8 | 124 | 0 | 0 | 116 | ||||
| 990 | N | 28 | Very low | 29.2 | Very low | 170 Ų | 170 | 141 Ų | 141 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -145.3 | 144.8 | 143.5 | -134.7 | -19.1 | 0 | 0 | 0 | 108.8 | ||||
| 991 | C | 26.3 | Very low | 29.4 | Very low | 82 Ų | 82 | 140 Ų | 140 | 55% | 0.554 | 76% | 0.761 | S | S | * | * | trans | -110.5 | 160.3 | -146.5 | -48.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 992 | D | 29.8 | Very low | 29.2 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | 157 | 147.3 | 110.1 | -81.8 | -26.1 | 0 | 0 | 0 | 115.1 | |||||
| 993 | N | 30.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 75.6 | 100.4 | 168.7 | -42.1 | -74.8 | 0 | 0 | 0 | 116.3 | ||||
| 994 | D | 31.4 | Very low | 28.9 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | cis | 85.1 | 154.5 | 27.6 | -140.5 | 43.7 | 0 | 0 | 0 | 114.1 | ||||
| 995 | P | 39.1 | Very low | 28.6 | Very low | 96 Ų | 96 | 132 Ų | 132 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | -137.7 | -146.3 | -76.2 | 44.9 | -29.1 | 0 | 0 | 0 | 114.9 | |||||
| 996 | S | 29 | Very low | 29 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 85.9 | 146 | 171.3 | 76.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 997 | E | 29.8 | Very low | 28.8 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | cis | -171.5 | 169.8 | -3.2 | -115.2 | -178.2 | -110.9 | 0 | 0 | 108.5 | ||||
| 998 | V | 30.5 | Very low | 28.7 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | cis | -167.2 | 146.5 | -5.9 | 67.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 999 | N | 29.4 | Very low | 28.4 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | trans | 52.6 | 165.8 | 152.3 | -67.9 | 14.1 | 0 | 0 | 0 | 123.3 | ||||
| 1000 | E | 28.4 | Very low | 28.2 | Very low | 154 Ų | 154 | 123.1 Ų | 123.1 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | cis | -157.9 | 141.8 | 9.2 | -136.7 | 148.3 | -111.7 | 0 | 0 | 114.7 | ||||
| 1001 | E | 28.2 | Very low | 28 | Very low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | 37.5 | -177.1 | 137 | -68.2 | -163.6 | -159.3 | 0 | 0 | 125.5 | ||||
| 1002 | S | 26.4 | Very low | 28 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | cis | -170 | 174 | -48.8 | 70.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1003 | A | 25.4 | Very low | 27.7 | Very low | 83 Ų | 83 | 123.9 Ų | 123.9 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | -159.9 | 168.2 | -57.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1004 | T | 26 | Very low | 27.5 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 91% | 0.908 | 76% | 0.756 | S | S | * | * | trans | 78.4 | 152.7 | 160.3 | 46.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 1005 | S | 22.9 | Very low | 27.2 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -102.5 | -164 | -163.8 | 57.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 1006 | P | 36 | Very low | 26.6 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | cis | -136.7 | -177.2 | -27 | 31.3 | -8.8 | 0 | 0 | 0 | 116.8 | ||||
| 1007 | A | 23.8 | Very low | 26.4 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | 107.8 | 113.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1008 | V | 24.6 | Very low | 26.1 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | trans | 82.4 | 122.7 | 137.9 | 177.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 1009 | A | 23.5 | Very low | 25.8 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 88 | 113.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1010 | A | 23.6 | Very low | 25.6 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 82.5 | 119.9 | 132.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1011 | N | 24.7 | Very low | 25.3 | Very low | 168 Ų | 168 | 120.1 Ų | 120.1 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | 65.8 | 119.5 | 145 | -60.6 | -2.3 | 0 | 0 | 0 | 121.6 | ||||
| 1012 | G | 25 | Very low | 25.1 | Very low | 67 Ų | 67 | 114.3 Ų | 114.3 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | 142.2 | 71.2 | 117.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1013 | L | 23 | Very low | 25 | Very low | 174 Ų | 174 | 118.6 Ų | 118.6 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | trans | 65.7 | 161.7 | 151.6 | -57.2 | 167.9 | 0 | 0 | 0 | 116.1 | ||||
| 1014 | T | 26.6 | Very low | 25 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | cis | -143 | 159.6 | 22.8 | 50.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1015 | A | 25.8 | Very low | 24.9 | Very low | 74 Ų | 74 | 120.5 Ų | 120.5 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | trans | 67.8 | 137.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1016 | E | 26.4 | Very low | 25 | Very low | 167 Ų | 167 | 120 Ų | 120 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | cis | -168.6 | 142 | -6.8 | -107.5 | 134.1 | -139.2 | 0 | 0 | 105.4 | ||||
| 1017 | E | 24.7 | Very low | 24.6 | Very low | 180 Ų | 180 | 117.8 Ų | 117.8 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | cis | -155.7 | 142.4 | -10.6 | -105.6 | 175.2 | 154.5 | 0 | 0 | 109 | ||||
| 1018 | V | 23.6 | Very low | 24.6 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | trans | -150.6 | 147.6 | 165 | 176 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1019 | E | 24.3 | Very low | 24.6 | Very low | 152 Ų | 152 | 116 Ų | 116 | 71% | 0.71 | 70% | 0.696 | S | S | * | * | trans | 99.7 | 137.9 | -168.2 | -68.9 | -169.2 | 168.2 | 0 | 0 | 112.2 | E1065 | E1019-E1065 CarbonylContact C-O 3.49Å; E1019-E1065 VanDerWaalsContact C-O 3.29Å; E1019-E1065 VanDerWaalsContact CA-O 3.24Å; E1019-E1065 WeakPolarHBondContact CA-O 3.3Å | ||
| 1020 | L | 25.4 | Very low | 24.8 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 45% | 0.45 | 69% | 0.694 | S | S | . | * | cis | -163.4 | 164.2 | 13.4 | -120.2 | 160.8 | 0 | 0 | 0 | 110.3 | C1063 I1064 E1065 | L1020-C1063 HydrophobicContact CD2-CB 3.91Å; L1020-C1063 VanDerWaalsContact CD2-O 3.23Å; L1020-C1063 WeakPolarHBondContact CD2-O 3.48Å; L1020-I1064 CarbonylContact C-O 3.53Å; L1020-I1064 WeakPolarHBondContact CA-O 3.33Å; L1020-I1064 HydrophobicContact CD2-CD1 4.05Å; L1020-E1065 WeakPolarHBondContact CA-O 3.38Å; L1020-E1065 PolarHBondContact N-O 2.67Å; L1020-E1065 VanDerWaalsContact N-O 3.08Å | ||
| 1021 | A | 22.3 | Very low | 24.8 | Very low | 67 Ų | 67 | 120.7 Ų | 120.7 | 55% | 0.554 | 69% | 0.688 | S | S | * | * | trans | 144.3 | 13.5 | 134.8 | 0 | 0 | 0 | 0 | 0 | 127.8 | I1064 | A1021-I1064 HydrophobicContact CB-CD1 3.76Å; A1021-I1064 PolarHBondContact N-O 2.9Å | ||
| 1022 | A | 23 | Very low | 25 | Very low | 52 Ų | 52 | 117.5 Ų | 117.5 | 43% | 0.43 | 67% | 0.67 | S | S | . | * | trans | 75.7 | 163.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | I1064 | A1022-I1064 HydrophobicContact CB-CD1 3.63Å; A1022-I1064 HydrophobicContact CB-CG1 3.83Å | ||
| 1023 | E | 23.5 | Very low | 25.3 | Very low | 188 Ų | 188 | 120.9 Ų | 120.9 | 88% | 0.879 | 66% | 0.663 | S | S | * | * | trans | 71.2 | 136 | 175.7 | -53.3 | -175.8 | 157.8 | 0 | 0 | 114.7 | ||||
| 1024 | D | 26.8 | Very low | 25.6 | Very low | 143 Ų | 143 | 121 Ų | 121 | 77% | 0.765 | 66% | 0.656 | S | S | * | * | cis | -123.2 | 161.1 | 10.3 | -89.3 | -49 | 0 | 0 | 0 | 110.7 | ||||
| 1025 | V | 23.6 | Very low | 25.9 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | cis | 75.6 | 128.2 | 46.6 | -176 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1026 | A | 24.7 | Very low | 26.2 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 64% | 0.644 | S | S | * | * | trans | 76.1 | 141.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1027 | S | 27.8 | Very low | 26.7 | Very low | 73 Ų | 73 | 116.5 Ų | 116.5 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | cis | -170.9 | 153.6 | -11.5 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | K212 | K212-S1027 WeakPolarHBondContact CE-OG 3.49Å; K212-S1027 PolarHBondContact NZ-OG 3.02Å | ||
| 1028 | D | 23.8 | Very low | 27.1 | Very low | 151 Ų | 151 | 115.1 Ų | 115.1 | 81% | 0.807 | 61% | 0.612 | S | S | * | * | trans | -62.2 | 157.6 | 161 | -34.4 | -87.4 | 0 | 0 | 0 | 112.6 | K212 | K212-D1028 PolarHBondContact NZ-O 3.42Š| ||
| 1029 | D | 24.8 | Very low | 27.6 | Very low | 44 Ų | 44 | 117.8 Ų | 117.8 | 24% | 0.235 | 61% | 0.608 | C | S | . | * | trans | -155.6 | 47.9 | 163.6 | -122.6 | -25.2 | 0 | 0 | 0 | 116.3 | K209 K212 Y213 E1031 | K209-D1029 WeakPolarHBondContact CE-OD1 3.17Å; K209-D1029 IonicContact NZ-OD1 2.7Å; K209-D1029 PolarHBondContact NZ-OD1 3.2Å; K212-D1029 VanDerWaalsContact CD-OD2 3.26Å; K212-D1029 WeakPolarHBondContact CD-OD2 3.19Å; K212-D1029 WeakPolarHBondContact CE-OD2 3.28Å; K212-D1029 VanDerWaalsContact NZ-CG 3.31Å; K212-D1029 IonicContact NZ-OD1 3.8Å; K212-D1029 IonicContact NZ-OD2 2.79Å; K212-D1029 PolarHBondContact NZ-OD2 3.37Å; Y213-D1029 WeakPolarHBondContact OH-CB 3.38Å; D1029-E1031 PolarHBondContact O-N 2.76Å | ||
| 1030 | E | 26.9 | Very low | 28.4 | Very low | 152 Ų | 152 | 115.4 Ų | 115.4 | 71% | 0.71 | 60% | 0.595 | S | S | * | * | trans | -62 | 131.7 | 161.9 | -79.6 | -171.9 | -172.8 | 0 | 0 | 111.1 | I1032 | E1030-I1032 VanDerWaalsContact C-N 3.34Å; E1030-I1032 PolarHBondContact O-N 3.49Å | ||
| 1031 | E | 24.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | trans | -87.7 | 41.6 | -175.4 | -91.2 | -90.9 | 107.7 | 0 | 0 | 114.3 | K209 D1029 | K209-E1031 WeakPolarHBondContact CD-OE1 3.46Å; K209-E1031 WeakPolarHBondContact CE-OE1 3.09Å; K209-E1031 IonicContact NZ-OE1 3.63Å; K209-E1031 PolarHBondContact NZ-OE1 3.13Å; D1029-E1031 PolarHBondContact O-N 2.76Å | ||
| 1032 | I | 29.1 | Very low | 29.3 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 52% | 0.518 | 61% | 0.605 | S | S | . | * | trans | -91.7 | 117 | -177.4 | -57.3 | -176.8 | 0 | 0 | 0 | 113.1 | E1030 F1034 | E1030-I1032 VanDerWaalsContact C-N 3.34Å; E1030-I1032 PolarHBondContact O-N 3.49Å; I1032-F1034 HydrophobicContact CB-CE2 4.37Å; I1032-F1034 HydrophobicContact CG2-CD2 4.05Å; I1032-F1034 HydrophobicContact CG2-CE2 3.65Å; I1032-F1034 HydrophobicContact CG2-CZ 4.27Å; I1032-F1034 PolarHBondContact O-N 3.31Å | ||
| 1033 | Y | 31 | Very low | 29.7 | Very low | 138 Ų | 138 | 125 Ų | 125 | 54% | 0.541 | 62% | 0.62 | S | S | . | * | trans | -77.9 | 102.3 | 174.4 | -89.5 | -108.1 | 0 | 0 | 0 | 112.4 | K202 | K202-Y1033 WeakPolarHBondContact CE-OH 3.43Å; K202-Y1033 PolarHBondContact NZ-OH 2.91Å | ||
| 1034 | F | 28.2 | Very low | 30.2 | Very low | 176 Ų | 176 | 123.7 Ų | 123.7 | 77% | 0.772 | 62% | 0.615 | S | S | * | * | trans | -83.5 | 141.1 | 162.2 | -76 | -85.7 | 0 | 0 | 0 | 112.2 | I1032 | I1032-F1034 HydrophobicContact CB-CE2 4.37Å; I1032-F1034 HydrophobicContact CG2-CD2 4.05Å; I1032-F1034 HydrophobicContact CG2-CE2 3.65Å; I1032-F1034 HydrophobicContact CG2-CZ 4.27Å; I1032-F1034 PolarHBondContact O-N 3.31Å | ||
| 1035 | D | 33.5 | Very low | 30.5 | Very low | 96 Ų | 96 | 122 Ų | 122 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | trans | -83.4 | 119.4 | -177.7 | -140.2 | -26.9 | 0 | 0 | 0 | 109.7 | K301 E1037 F1038 | K301-D1035 IonicContact NZ-OD1 2.66Å; K301-D1035 PolarHBondContact NZ-OD1 3.4Å; K301-D1035 IonicContact NZ-OD2 3.16Å; K301-D1035 PolarHBondContact NZ-OD2 2.95Å; D1035-E1037 PolarHBondContact O-N 3.27Å; D1035-F1038 PolarHBondContact O-N 3.15Å; D1035-F1038 VanDerWaalsContact O-N 3.07Å | ||
| 1036 | D | 31.8 | Very low | 31 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -55.9 | -17.5 | -176.4 | -94.3 | -41.6 | 0 | 0 | 0 | 113.7 | R1039 K1040 | D1036-R1039 PolarHBondContact O-N 2.91Å; D1036-K1040 PolarHBondContact O-N 3.38Å |
| 1037 | E | 36.3 | Very low | 31.2 | Very low | 62 Ų | 62 | 130 Ų | 130 | 29% | 0.29 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.8 | -35.1 | 177.6 | -150.7 | -169.3 | 135.6 | 0 | 0 | 113.1 | K301 D1035 K1040 K1041 | K301-E1037 IonicContact NZ-OE2 3.28Å; K301-E1037 PolarHBondContact NZ-OE2 3.46Å; K301-E1037 VanDerWaalsContact NZ-OE2 3.11Å; D1035-E1037 PolarHBondContact O-N 3.27Å; E1037-K1040 PolarHBondContact O-N 2.86Å; E1037-K1041 PolarHBondContact O-N 3.32Å; E1037-K1041 IonicContact OE1-NZ 3.11Å; E1037-K1041 PolarHBondContact OE1-NZ 3.01Å |
| 1038 | F | 34.8 | Very low | 31.3 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 67% | 0.667 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | 177 | -175.8 | -105.6 | 0 | 0 | 0 | 110.9 | D1035 K1040 K1041 L1042 | D1035-F1038 PolarHBondContact O-N 3.15Å; D1035-F1038 VanDerWaalsContact O-N 3.07Å; F1038-K1040 VanDerWaalsContact C-N 3.28Å; F1038-K1040 PolarHBondContact O-N 3.21Å; F1038-K1041 PolarHBondContact O-N 2.99Å; F1038-L1042 PolarHBondContact O-N 2.88Å |
| 1039 | R | 32.4 | Very low | 31.7 | Very low | 185 Ų | 185 | 129.4 Ų | 129.4 | 70% | 0.698 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.6 | -28.9 | 177.9 | -162.2 | 171.4 | -173.2 | 154.8 | 3.5 | 112.6 | D1036 M1043 | D1036-R1039 PolarHBondContact O-N 2.91Å; R1039-M1043 WeakPolarHBondContact O-CB 3.33Å; R1039-M1043 WeakPolarHBondContact O-CG 3.44Å |
| 1040 | K | 41.2 | Very low | 31.8 | Very low | 101 Ų | 101 | 133 Ų | 133 | 44% | 0.439 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -72.6 | -46.9 | 170.7 | -71.6 | 177.2 | -173.5 | 176.8 | 0 | 112.8 | E305 D1036 E1037 F1038 L1042 M1043 Q1044 | E305-K1040 IonicContact OE2-NZ 2.68Å; E305-K1040 PolarHBondContact OE2-NZ 3.43Å; D1036-K1040 PolarHBondContact O-N 3.38Å; E1037-K1040 PolarHBondContact O-N 2.86Å; F1038-K1040 VanDerWaalsContact C-N 3.28Å; F1038-K1040 PolarHBondContact O-N 3.21Å; K1040-L1042 VanDerWaalsContact C-N 3.34Å; K1040-L1042 PolarHBondContact O-N 2.97Å; K1040-M1043 CarbonylContact O-C 3.52Å; K1040-M1043 PolarHBondContact O-N 3.13Å; K1040-Q1044 WeakPolarHBondContact O-CG 3.37Å; K1040-Q1044 PolarHBondContact O-N 2.8Å |
| 1041 | K | 36 | Very low | 31.7 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 56% | 0.557 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.9 | -39.2 | -178.3 | -81.2 | 168.1 | 173.4 | 162.8 | 0 | 111.9 | E1037 F1038 M1043 Q1044 | E1037-K1041 PolarHBondContact O-N 3.32Å; E1037-K1041 IonicContact OE1-NZ 3.11Å; E1037-K1041 PolarHBondContact OE1-NZ 3.01Å; F1038-K1041 PolarHBondContact O-N 2.99Å; K1041-M1043 PolarHBondContact O-N 3.46Å; K1041-Q1044 PolarHBondContact O-N 3.18Å |
| 1042 | L | 30.7 | Very low | 31.9 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.6 | -28 | 172.7 | -164.1 | 69.3 | 0 | 0 | 0 | 113.1 | F1038 K1040 | F1038-L1042 PolarHBondContact O-N 2.88Å; K1040-L1042 VanDerWaalsContact C-N 3.34Å; K1040-L1042 PolarHBondContact O-N 2.97Å |
| 1043 | M | 32.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 4 | -179.1 | -74.9 | -81.5 | 177.5 | 0 | 0 | 114.4 | R1039 K1040 K1041 | R1039-M1043 WeakPolarHBondContact O-CB 3.33Å; R1039-M1043 WeakPolarHBondContact O-CG 3.44Å; K1040-M1043 CarbonylContact O-C 3.52Å; K1040-M1043 PolarHBondContact O-N 3.13Å; K1041-M1043 PolarHBondContact O-N 3.46Å |
| 1044 | Q | 33.2 | Very low | 31.7 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -117.4 | 3 | -176.1 | -76.3 | -172.1 | -36.7 | 0 | 0 | 114.8 | K1040 K1041 | K1040-Q1044 WeakPolarHBondContact O-CG 3.37Å; K1040-Q1044 PolarHBondContact O-N 2.8Å; K1041-Q1044 PolarHBondContact O-N 3.18Å |
| 1045 | T | 32.4 | Very low | 31.6 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -113.8 | 111.4 | 175.5 | 38.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1046 | Q | 34.5 | Very low | 31.3 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 91% | 0.911 | 70% | 0.698 | S | S | * | * | trans | 79.8 | 149.7 | 165.8 | -54.6 | -171.8 | -5 | 0 | 0 | 118 | ||||
| 1047 | Q | 29.1 | Very low | 31 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | trans | -109.2 | 117.4 | -168.7 | -59.4 | 169.7 | -72.7 | 0 | 0 | 110.4 | ||||
| 1048 | V | 30.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | -138.6 | 149.8 | 163.9 | -175 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1049 | S | 31.6 | Very low | 30 | Very low | 79 Ų | 79 | 147.8 Ų | 147.8 | 55% | 0.552 | 74% | 0.741 | S | S | * | * | trans | -77.8 | 149.5 | -169.3 | 38.4 | 0 | 0 | 0 | 0 | 114.9 | S1051 | S1049-S1051 PolarHBondContact O-N 3.17Š| ||
| 1050 | S | 26.2 | Very low | 29.8 | Very low | 120 Ų | 120 | 145 Ų | 145 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 38.1 | -172.5 | -168.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1051 | S | 26.3 | Very low | 29 | Very low | 86 Ų | 86 | 146.5 Ų | 146.5 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | 3 | -170 | 58.8 | 0 | 0 | 0 | 0 | 116 | S1049 | S1049-S1051 PolarHBondContact O-N 3.17Š|
| 1052 | E | 28.1 | Very low | 28.5 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -124.1 | -4 | -176.8 | -65.6 | -174 | 125 | 0 | 0 | 114.5 | ||
| 1053 | L | 28.3 | Very low | 28.2 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -93.4 | -13.4 | 179.1 | -86.5 | 162.8 | 0 | 0 | 0 | 114.8 | R1055 | L1053-R1055 PolarHBondContact O-N 3.39Å; L1053-R1055 VanDerWaalsContact O-N 3.08Å |
| 1054 | E | 26.8 | Very low | 27.8 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 26.3 | -173.5 | -59.9 | -173.1 | 135.6 | 0 | 0 | 114.5 | ||
| 1055 | R | 27.4 | Very low | 27.3 | Very low | 238 Ų | 238 | 136.4 Ų | 136.4 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 5.4 | -168 | -92.2 | -172.2 | 175 | -180 | -0.8 | 118.1 | L1053 | L1053-R1055 PolarHBondContact O-N 3.39Å; L1053-R1055 VanDerWaalsContact O-N 3.08Å |
| 1056 | L | 25.9 | Very low | 27.3 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -115.6 | -13.9 | -169.7 | -91.8 | 164.2 | 0 | 0 | 0 | 117.9 | ||
| 1057 | F | 26 | Very low | 26.9 | Very low | 193 Ų | 193 | 130.5 Ų | 130.5 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -142.9 | 45.6 | -170.7 | -69.1 | -70.3 | 0 | 0 | 0 | 116.3 | ||
| 1058 | L | 25.8 | Very low | 26.7 | Very low | 167 Ų | 167 | 124.8 Ų | 124.8 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | trans | -149.2 | 127.8 | 162.1 | -80.9 | -178.5 | 0 | 0 | 0 | 112.2 | ||||
| 1059 | P | 25.2 | Very low | 26.5 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 157 | 150.1 | 34.7 | -30.6 | 0 | 0 | 0 | 110.9 | ||
| 1060 | P | 27.1 | Very low | 26.1 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 158.2 | -173.9 | 33.5 | -36 | 0 | 0 | 0 | 114.4 | ||
| 1061 | P | 24.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 87% | 0.87 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 160.2 | -171.8 | 38.8 | -36.2 | 0 | 0 | 0 | 116.3 | ||
| 1062 | G | 25.9 | Very low | 25.8 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | 122.5 | 141.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1063 | C | 25.1 | Very low | 25.6 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | cis | -150.5 | 90.9 | -5.2 | -89 | 0 | 0 | 0 | 0 | 114.1 | L1020 | L1020-C1063 HydrophobicContact CD2-CB 3.91Å; L1020-C1063 VanDerWaalsContact CD2-O 3.23Å; L1020-C1063 WeakPolarHBondContact CD2-O 3.48Å | ||
| 1064 | I | 23.8 | Very low | 25.2 | Very low | 61 Ų | 61 | 133.4 Ų | 133.4 | 31% | 0.313 | 75% | 0.748 | S | S | . | * | trans | 38.1 | 125.8 | 130.5 | 42.8 | 52.4 | 0 | 0 | 0 | 125.2 | L1020 A1021 A1022 | L1020-I1064 CarbonylContact C-O 3.53Å; L1020-I1064 WeakPolarHBondContact CA-O 3.33Å; L1020-I1064 HydrophobicContact CD2-CD1 4.05Å; A1021-I1064 HydrophobicContact CB-CD1 3.76Å; A1021-I1064 PolarHBondContact N-O 2.9Å; A1022-I1064 HydrophobicContact CB-CD1 3.63Å; A1022-I1064 HydrophobicContact CB-CG1 3.83Å | ||
| 1065 | E | 23.6 | Very low | 25.4 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 62% | 0.621 | 74% | 0.741 | S | S | * | * | trans | 60.2 | -177.4 | 146.5 | -81 | 166.3 | -124.6 | 0 | 0 | 122.5 | E1019 L1020 | E1019-E1065 CarbonylContact C-O 3.49Å; E1019-E1065 VanDerWaalsContact C-O 3.29Å; E1019-E1065 VanDerWaalsContact CA-O 3.24Å; E1019-E1065 WeakPolarHBondContact CA-O 3.3Å; L1020-E1065 WeakPolarHBondContact CA-O 3.38Å; L1020-E1065 PolarHBondContact N-O 2.67Å; L1020-E1065 VanDerWaalsContact N-O 3.08Å | ||
| 1066 | P | 32.1 | Very low | 25.2 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 45% | 0.448 | 73% | 0.733 | S | S | . | * | cis | -120.9 | -138.6 | -42.6 | 35.1 | -16.3 | 0 | 0 | 0 | 111 | ||||
| 1067 | S | 25.7 | Very low | 25 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | cis | -165.2 | 151.1 | -6 | 46.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1068 | G | 25.1 | Very low | 25 | Very low | 75 Ų | 75 | 121.3 Ų | 121.3 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | 87.6 | 153.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1069 | W | 26.2 | Very low | 24.9 | Very low | 256 Ų | 256 | 119.1 Ų | 119.1 | 97% | 0.97 | 73% | 0.73 | S | S | * | * | cis | -140.1 | -179.4 | 7.2 | -67 | 58.2 | 0 | 0 | 0 | 110.5 | ||||
| 1070 | D | 23.7 | Very low | 24.8 | Very low | 134 Ų | 134 | 123 Ų | 123 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | -172.3 | 141.9 | -57.6 | -161.3 | 0.8 | 0 | 0 | 0 | 110.2 | |||||
| 1071 | S | 22.4 | Very low | 24.7 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | 50 | 135 | 158.9 | 71.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1072 | A | 22.9 | Very low | 24.8 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | 179 | 129.9 | 118.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1073 | D | 24.8 | Very low | 24.8 | Very low | 169 Ų | 169 | 123.5 Ų | 123.5 | 90% | 0.904 | 73% | 0.734 | S | S | * | * | trans | 72 | 153.6 | 145.7 | -66.1 | -19.6 | 0 | 0 | 0 | 126.2 | ||||
| 1074 | L | 20.6 | Very low | 24.9 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -126 | -164.5 | -167.5 | -88.1 | 163.3 | 0 | 0 | 0 | 109.1 | ||||
| 1075 | P | 30 | Very low | 24.9 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | cis | -135.8 | -162.4 | -17.5 | 22.9 | 4.2 | 0 | 0 | 0 | 114.5 | ||||
| 1076 | T | 22.9 | Very low | 25.1 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 90.3 | 108.2 | 149.5 | 54 | 0 | 0 | 0 | 0 | 123 | ||||
| 1077 | L | 21.5 | Very low | 24.7 | Very low | 161 Ų | 161 | 124.6 Ų | 124.6 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | 19.3 | 155.8 | 115.5 | -69.6 | 172.3 | 0 | 0 | 0 | 120.5 | |||||
| 1078 | P | 26.1 | Very low | 24.5 | Very low | 104 Ų | 104 | 126 Ų | 126 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | cis | -141.4 | -179.6 | 20.2 | 43.1 | -25.8 | 0 | 0 | 0 | 117.2 | ||||
| 1079 | S | 24.7 | Very low | 24.3 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -131.2 | 138.4 | 136.9 | 68.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1080 | F | 23.5 | Very low | 24.1 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -123.2 | 153.6 | -172.6 | -125.6 | -87.5 | 0 | 0 | 0 | 111.7 | ||||
| 1081 | T | 24 | Very low | 24 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -75.1 | 154.2 | -170.9 | 57.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1082 | V | 25.6 | Very low | 24.1 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | 178 | 134.7 | 120.8 | 146.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 1083 | G | 27.2 | Very low | 24.2 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | 163.5 | 180 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1084 | G | 26.5 | Very low | 24.2 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 94% | 0.938 | 80% | 0.801 | S | S | * | * | trans | 108.9 | 100.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1085 | G | 24.8 | Very low | 24.7 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 153.2 | 122.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1086 | P | 27.1 | Very low | 25 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -98.5 | 156.9 | -161.9 | 36.5 | -35.7 | 0 | 0 | 0 | 116.5 | ||||
| 1087 | G | 22.7 | Very low | 26.1 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -48.5 | 147.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1088 | L | 22.9 | Very low | 27.4 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -115.3 | 97.1 | 163.5 | -87.4 | 166.2 | 0 | 0 | 0 | 110 | F1090 | L1088-F1090 HydrophobicContact CB-CD2 4.2Å; L1088-F1090 HydrophobicContact CB-CE2 3.73Å; L1088-F1090 HydrophobicContact CB-CZ 4.29Å; L1088-F1090 HydrophobicContact CD1-CE2 4.1Å; L1088-F1090 HydrophobicContact CD1-CZ 4.06Å; L1088-F1090 HydrophobicContact CD2-CZ 4.3Å; L1088-F1090 HydrophobicContact CG-CE2 4.36Å; L1088-F1090 HydrophobicContact CG-CZ 4.47Å; L1088-F1090 PolarHBondContact O-N 2.71Å | ||
| 1089 | Q | 20.7 | Very low | 28.7 | Very low | 182 Ų | 182 | 117.2 Ų | 117.2 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -72.6 | 103.4 | 163.4 | -77.3 | -176.7 | -27.8 | 0 | 0 | 109.3 | L1091 | Q1089-L1091 VanDerWaalsContact C-N 3.34Å; Q1089-L1091 PolarHBondContact O-N 3.05Å | ||
| 1090 | F | 22.1 | Very low | 30 | Very low | 178 Ų | 178 | 113.8 Ų | 113.8 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | trans | -79 | 84.8 | 170.7 | -76.7 | -74.8 | 0 | 0 | 0 | 111 | L1088 S1092 | L1088-F1090 HydrophobicContact CB-CD2 4.2Å; L1088-F1090 HydrophobicContact CB-CE2 3.73Å; L1088-F1090 HydrophobicContact CB-CZ 4.29Å; L1088-F1090 HydrophobicContact CD1-CE2 4.1Å; L1088-F1090 HydrophobicContact CD1-CZ 4.06Å; L1088-F1090 HydrophobicContact CD2-CZ 4.3Å; L1088-F1090 HydrophobicContact CG-CE2 4.36Å; L1088-F1090 HydrophobicContact CG-CZ 4.47Å; L1088-F1090 PolarHBondContact O-N 2.71Å; F1090-S1092 PolarHBondContact O-N 3.07Å | ||
| 1091 | L | 21.3 | Very low | 31.6 | Very low | 142 Ų | 142 | 107.4 Ų | 107.4 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -56.4 | 120.6 | 168.4 | -83.1 | 163.2 | 0 | 0 | 0 | 110.6 | Q1089 T1093 | Q1089-L1091 VanDerWaalsContact C-N 3.34Å; Q1089-L1091 PolarHBondContact O-N 3.05Å; L1091-T1093 PolarHBondContact O-N 3.24Å | ||
| 1092 | S | 24.2 | Very low | 33.1 | Very low | 125 Ų | 125 | 104.8 Ų | 104.8 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | trans | -68.8 | 102.8 | 174.2 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | F1090 | F1090-S1092 PolarHBondContact O-N 3.07Š| ||
| 1093 | T | 24.6 | Very low | 34.5 | Very low | 126 Ų | 126 | 99.6 Ų | 99.6 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | trans | -92.2 | 132.9 | 179.5 | 42 | 0 | 0 | 0 | 0 | 110.8 | L1091 S1095 | L1091-T1093 PolarHBondContact O-N 3.24Å; T1093-S1095 PolarHBondContact O-N 2.96Å | ||
| 1094 | A | 25.8 | Very low | 36.1 | Very low | 104 Ų | 104 | 98.1 Ų | 98.1 | 86% | 0.86 | 63% | 0.625 | S | S | * | * | trans | -70.2 | 122.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1096 | A1094-H1096 PolarHBondContact O-N 3.46Å; A1094-H1096 VanDerWaalsContact O-N 3.13Å | ||
| 1095 | S | 29.6 | Very low | 37.5 | Very low | 94 Ų | 94 | 98 Ų | 98 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | trans | -91.2 | 51.1 | -168.2 | 48.8 | 0 | 0 | 0 | 0 | 114.9 | T1093 | T1093-S1095 PolarHBondContact O-N 2.96Š| ||
| 1096 | H | 37.1 | Very low | 39.1 | Very low | 159 Ų | 159 | 95.6 Ų | 95.6 | 74% | 0.736 | 57% | 0.572 | S | S | * | * | trans | -130.9 | 109.3 | 170.7 | -74.2 | -67.1 | 0 | 0 | 0 | 112.1 | A1094 N1098 | A1094-H1096 PolarHBondContact O-N 3.46Å; A1094-H1096 VanDerWaalsContact O-N 3.13Å; H1096-N1098 PolarHBondContact O-N 3.14Å | ||
| 1097 | V | 45.2 | Very low | 40.4 | Very low | 95 Ų | 95 | 95.6 Ų | 95.6 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | trans | -72.7 | 95.6 | 163.9 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | A1099 | V1097-A1099 PolarHBondContact O-N 3.14Š| ||
| 1098 | N | 49.2 | Very low | 41.8 | Very low | 67 Ų | 67 | 95.8 Ų | 95.8 | 36% | 0.358 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 127.4 | 173.7 | -175.9 | -0.4 | 0 | 0 | 0 | 109.1 | S90 H1096 S1100 S1101 L1102 | S90-N1098 PolarHBondContact OG-OD1 2.88Å; H1096-N1098 PolarHBondContact O-N 3.14Å; N1098-S1100 PolarHBondContact O-N 2.83Å; N1098-S1100 WeakPolarHBondContact OD1-CB 3.41Å; N1098-S1100 PolarHBondContact OD1-N 2.91Å; N1098-S1100 PolarHBondContact OD1-OG 3.36Å; N1098-S1100 VanDerWaalsContact OD1-OG 3.06Å; N1098-S1101 WeakPolarHBondContact O-CA 3.21Å; N1098-S1101 VanDerWaalsContact O-CB 3.28Å; N1098-S1101 WeakPolarHBondContact O-CB 3.16Å; N1098-S1101 PolarHBondContact O-N 3.02Å; N1098-L1102 PolarHBondContact O-N 3.22Å |
| 1099 | A | 54.3 | Low | 43.1 | Very low | 18 Ų | 18 | 92.4 Ų | 92.4 | 15% | 0.149 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -60 | -27.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V91 V1097 S1101 L1102 L1103 | V91-A1099 HydrophobicContact CG2-CB 3.62Å; V1097-A1099 PolarHBondContact O-N 3.14Å; A1099-S1101 VanDerWaalsContact C-N 3.28Å; A1099-S1101 PolarHBondContact O-N 3Å; A1099-L1102 PolarHBondContact O-N 3.27Å; A1099-L1103 WeakPolarHBondContact O-CB 3.25Å; A1099-L1103 WeakPolarHBondContact O-CG 3.36Å; A1099-L1103 PolarHBondContact O-N 2.78Å |
| 1100 | S | 52.2 | Low | 44.2 | Very low | 49 Ų | 49 | 89.3 Ų | 89.3 | 34% | 0.343 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -30.8 | 170.2 | -40.7 | 0 | 0 | 0 | 0 | 113 | S90 N1098 A1104 | S90-S1100 PolarHBondContact OG-OG 3.28Å; N1098-S1100 PolarHBondContact O-N 2.83Å; N1098-S1100 WeakPolarHBondContact OD1-CB 3.41Å; N1098-S1100 PolarHBondContact OD1-N 2.91Å; N1098-S1100 PolarHBondContact OD1-OG 3.36Å; N1098-S1100 VanDerWaalsContact OD1-OG 3.06Å; S1100-A1104 VanDerWaalsContact O-CB 3.3Å; S1100-A1104 WeakPolarHBondContact O-CB 3.38Å; S1100-A1104 PolarHBondContact O-N 3.11Å |
| 1101 | S | 56.9 | Low | 45 | Very low | 60 Ų | 60 | 88 Ų | 88 | 42% | 0.42 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.4 | -44.8 | 173.8 | -162.6 | 0 | 0 | 0 | 0 | 110.8 | N1098 A1099 L1103 A1104 D1105 | N1098-S1101 WeakPolarHBondContact O-CA 3.21Å; N1098-S1101 VanDerWaalsContact O-CB 3.28Å; N1098-S1101 WeakPolarHBondContact O-CB 3.16Å; N1098-S1101 PolarHBondContact O-N 3.02Å; A1099-S1101 VanDerWaalsContact C-N 3.28Å; A1099-S1101 PolarHBondContact O-N 3Å; S1101-L1103 VanDerWaalsContact C-N 3.28Å; S1101-L1103 PolarHBondContact O-N 3.31Å; S1101-A1104 CarbonylContact O-C 3.5Å; S1101-A1104 WeakPolarHBondContact O-CA 3.4Å; S1101-A1104 WeakPolarHBondContact O-CB 3.44Å; S1101-A1104 PolarHBondContact O-N 3.19Å; S1101-D1105 PolarHBondContact O-N 2.91Å |
| 1102 | L | 54.3 | Low | 45.7 | Very low | 61 Ų | 61 | 89.6 Ų | 89.6 | 32% | 0.319 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 175.4 | -167.8 | 75.8 | 0 | 0 | 0 | 111.2 | N1098 A1099 D1105 I1106 | N1098-L1102 PolarHBondContact O-N 3.22Å; A1099-L1102 PolarHBondContact O-N 3.27Å; L1102-D1105 PolarHBondContact O-N 3.32Å; L1102-I1106 HydrophobicContact CG-CD1 4.25Å; L1102-I1106 WeakPolarHBondContact O-CB 3.45Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.41Å; L1102-I1106 VanDerWaalsContact O-CG1 3.23Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.17Å; L1102-I1106 PolarHBondContact O-N 3.42Å |
| 1103 | L | 56.7 | Low | 46.1 | Very low | 41 Ų | 41 | 87.6 Ų | 87.6 | 22% | 0.215 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 173.5 | -75.6 | 165.7 | 0 | 0 | 0 | 112.8 | V91 A99 A1099 S1101 K1107 | V91-L1103 HydrophobicContact CG1-CD1 4.49Å; V91-L1103 HydrophobicContact CG2-CD1 4.21Å; A99-L1103 HydrophobicContact CB-CD2 4.16Å; A1099-L1103 WeakPolarHBondContact O-CB 3.25Å; A1099-L1103 WeakPolarHBondContact O-CG 3.36Å; A1099-L1103 PolarHBondContact O-N 2.78Å; S1101-L1103 VanDerWaalsContact C-N 3.28Å; S1101-L1103 PolarHBondContact O-N 3.31Å; L1103-K1107 WeakPolarHBondContact O-CB 3.36Å; L1103-K1107 WeakPolarHBondContact O-CG 3.37Å; L1103-K1107 PolarHBondContact O-N 2.92Å |
| 1104 | A | 59.9 | Low | 46.4 | Very low | 42 Ų | 42 | 89.9 Ų | 89.9 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1100 S1101 K1107 N1108 | S1100-A1104 VanDerWaalsContact O-CB 3.3Å; S1100-A1104 WeakPolarHBondContact O-CB 3.38Å; S1100-A1104 PolarHBondContact O-N 3.11Å; S1101-A1104 CarbonylContact O-C 3.5Å; S1101-A1104 WeakPolarHBondContact O-CA 3.4Å; S1101-A1104 WeakPolarHBondContact O-CB 3.44Å; S1101-A1104 PolarHBondContact O-N 3.19Å; A1104-K1107 CarbonylContact O-C 3.59Å; A1104-K1107 PolarHBondContact O-N 3.48Å; A1104-N1108 VanDerWaalsContact O-CB 3.27Å; A1104-N1108 WeakPolarHBondContact O-CB 3.29Å; A1104-N1108 PolarHBondContact O-N 3.43Å; A1104-N1108 PolarHBondContact O-ND2 3.1Å |
| 1105 | D | 55.8 | Low | 46.6 | Very low | 88 Ų | 88 | 91 Ų | 91 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.3 | -33.2 | 177.1 | -68.3 | -43.2 | 0 | 0 | 0 | 112.5 | S1101 L1102 T1109 | S1101-D1105 PolarHBondContact O-N 2.91Å; L1102-D1105 PolarHBondContact O-N 3.32Å; D1105-T1109 WeakPolarHBondContact O-CB 3.3Å; D1105-T1109 WeakPolarHBondContact O-CG2 3.49Å; D1105-T1109 PolarHBondContact O-N 3.47Å; D1105-T1109 PolarHBondContact O-OG1 3.34Å |
| 1106 | I | 57.9 | Low | 46.5 | Very low | 25 Ų | 25 | 91.9 Ų | 91.9 | 13% | 0.128 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 168.7 | -71 | 166 | 0 | 0 | 0 | 110.6 | V102 L1102 T1109 E1110 | V102-I1106 HydrophobicContact CG1-CD1 4.32Å; V102-I1106 HydrophobicContact CG1-CG2 4.44Å; L1102-I1106 HydrophobicContact CG-CD1 4.25Å; L1102-I1106 WeakPolarHBondContact O-CB 3.45Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.41Å; L1102-I1106 VanDerWaalsContact O-CG1 3.23Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.17Å; L1102-I1106 PolarHBondContact O-N 3.42Å; I1106-T1109 WeakPolarHBondContact CA-OG1 3.48Å; I1106-T1109 PolarHBondContact O-N 2.84Å; I1106-T1109 PolarHBondContact O-OG1 3.32Å; I1106-E1110 PolarHBondContact O-N 3.11Å |
| 1107 | K | 54.1 | Low | 46.1 | Very low | 132 Ų | 132 | 88.8 Ų | 88.8 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.7 | -36.7 | 175.5 | -75 | 175.4 | 177.1 | 174.8 | 0 | 113.2 | L1103 A1104 T1109 E1110 M1111 | L1103-K1107 WeakPolarHBondContact O-CB 3.36Å; L1103-K1107 WeakPolarHBondContact O-CG 3.37Å; L1103-K1107 PolarHBondContact O-N 2.92Å; A1104-K1107 CarbonylContact O-C 3.59Å; A1104-K1107 PolarHBondContact O-N 3.48Å; K1107-T1109 VanDerWaalsContact C-N 3.32Å; K1107-T1109 PolarHBondContact O-N 3.05Å; K1107-E1110 PolarHBondContact O-N 2.86Å; K1107-M1111 PolarHBondContact O-N 2.99Å; K1107-M1111 VanDerWaalsContact O-N 3.09Å |
| 1108 | N | 53.4 | Low | 45.1 | Very low | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.6 | -32.5 | 175.6 | -74.9 | -28.6 | 0 | 0 | 0 | 111.8 | A1104 M1111 K1112 | A1104-N1108 VanDerWaalsContact O-CB 3.27Å; A1104-N1108 WeakPolarHBondContact O-CB 3.29Å; A1104-N1108 PolarHBondContact O-N 3.43Å; A1104-N1108 PolarHBondContact O-ND2 3.1Å; N1108-M1111 PolarHBondContact O-N 3.06Å; N1108-K1112 PolarHBondContact O-N 2.98Å; N1108-K1112 VanDerWaalsContact O-N 3.12Å |
| 1109 | T | 50.3 | Low | 44.1 | Very low | 69 Ų | 69 | 99.5 Ų | 99.5 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.5 | -29.4 | 172 | 44.1 | 0 | 0 | 0 | 0 | 112.7 | R106 D1105 I1106 K1107 K1112 S1113 | R106-T1109 PolarHBondContact NH1-OG1 3.21Å; D1105-T1109 WeakPolarHBondContact O-CB 3.3Å; D1105-T1109 WeakPolarHBondContact O-CG2 3.49Å; D1105-T1109 PolarHBondContact O-N 3.47Å; D1105-T1109 PolarHBondContact O-OG1 3.34Å; I1106-T1109 WeakPolarHBondContact CA-OG1 3.48Å; I1106-T1109 PolarHBondContact O-N 2.84Å; I1106-T1109 PolarHBondContact O-OG1 3.32Å; K1107-T1109 VanDerWaalsContact C-N 3.32Å; K1107-T1109 PolarHBondContact O-N 3.05Å; T1109-K1112 PolarHBondContact O-N 3.23Å; T1109-S1113 PolarHBondContact O-N 2.96Å |
| 1110 | E | 43.2 | Very low | 43 | Very low | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.7 | -24.5 | 169.5 | -68.6 | -171.9 | 146 | 0 | 0 | 114.2 | I1106 K1107 S1113 | I1106-E1110 PolarHBondContact O-N 3.11Å; K1107-E1110 PolarHBondContact O-N 2.86Å; E1110-S1113 PolarHBondContact O-OG 3.22Å; E1110-S1113 VanDerWaalsContact O-OG 3.14Å |
| 1111 | M | 39.6 | Very low | 41.9 | Very low | 149 Ų | 149 | 109.2 Ų | 109.2 | 73% | 0.734 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.2 | -33.1 | 169.8 | -77 | -164.8 | 168 | 0 | 0 | 112.7 | K1107 N1108 S1113 K1114 | K1107-M1111 PolarHBondContact O-N 2.99Å; K1107-M1111 VanDerWaalsContact O-N 3.09Å; N1108-M1111 PolarHBondContact O-N 3.06Å; M1111-S1113 VanDerWaalsContact C-N 3.3Å; M1111-S1113 PolarHBondContact O-N 3.14Å; M1111-K1114 PolarHBondContact O-N 2.91Å |
| 1112 | K | 35.4 | Very low | 40.6 | Very low | 176 Ų | 176 | 116 Ų | 116 | 77% | 0.765 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.3 | -9.2 | 179.2 | -74.3 | -176.9 | 177.1 | 179.3 | 0 | 114.9 | N1108 T1109 K1114 | N1108-K1112 PolarHBondContact O-N 2.98Å; N1108-K1112 VanDerWaalsContact O-N 3.12Å; T1109-K1112 PolarHBondContact O-N 3.23Å; K1112-K1114 VanDerWaalsContact C-N 3.32Å |
| 1113 | S | 33.6 | Very low | 39.4 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 58% | 0.58 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 8.9 | 172.4 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | T1109 E1110 M1111 | T1109-S1113 PolarHBondContact O-N 2.96Å; E1110-S1113 PolarHBondContact O-OG 3.22Å; E1110-S1113 VanDerWaalsContact O-OG 3.14Å; M1111-S1113 VanDerWaalsContact C-N 3.3Å; M1111-S1113 PolarHBondContact O-N 3.14Å |
| 1114 | K | 29.8 | Very low | 38 | Very low | 175 Ų | 175 | 124.8 Ų | 124.8 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -118.7 | 33 | -176.6 | -73.6 | -178.2 | 176.2 | 170.3 | 0 | 115.2 | M1111 K1112 | M1111-K1114 PolarHBondContact O-N 2.91Å; K1112-K1114 VanDerWaalsContact C-N 3.32Å |
| 1115 | T | 29.1 | Very low | 36.5 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -131.3 | 54.6 | 172.5 | 52 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1116 | S | 28.4 | Very low | 34.9 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 68% | 0.679 | S | S | * | * | trans | -153.1 | 60.5 | 176 | 48.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1117 | A | 28.2 | Very low | 33.4 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | trans | -139.4 | 79.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1118 | W | 24.9 | Very low | 32 | Very low | 246 Ų | 246 | 133.4 Ų | 133.4 | 93% | 0.932 | 72% | 0.717 | S | S | * | * | trans | -144.3 | 116.8 | 148.3 | -97.8 | 5 | 0 | 0 | 0 | 105 | ||||
| 1119 | N | 28.8 | Very low | 30.6 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | S | Bend | -158.3 | 161.1 | 54.7 | -126.5 | -34.6 | 0 | 0 | 0 | 114.9 | |||
| 1120 | V | 30.5 | Very low | 29.3 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 61.5 | 93.1 | 158.4 | -173.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1121 | Q | 29 | Very low | 28.5 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | 30.7 | 137.3 | 115.1 | -75.5 | -173 | 22.7 | 0 | 0 | 119.9 | |||||
| 1122 | R | 29.4 | Very low | 27.8 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -168.4 | 146.6 | 44.9 | -117.9 | 149.8 | -159.5 | -156.8 | 7.5 | 112.2 | ||||
| 1123 | K | 28.5 | Very low | 27.6 | Very low | 203 Ų | 203 | 137 Ų | 137 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 36.9 | 145.1 | 142.5 | -64.6 | -175.1 | 176.5 | -172.1 | 0 | 121.6 | ||||
| 1124 | A | 28.3 | Very low | 27.2 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | cis | -172 | 161.9 | -14 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1125 | S | 27.7 | Very low | 27 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 15.5 | 149.5 | 148.5 | 60.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1126 | C | 23 | Very low | 26.8 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | cis | 177 | 170.7 | -16.1 | -105 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1127 | N | 26.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 67.5 | 110 | 164.8 | -65.1 | 8.6 | 0 | 0 | 0 | 115.8 | ||||
| 1128 | S | 24.6 | Very low | 26.6 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 73.4 | 133.5 | 75.3 | 82.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1129 | S | 23.4 | Very low | 26.9 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | -166.8 | 168.8 | 18 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1130 | K | 24.4 | Very low | 26.8 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | trans | 82.1 | 159 | 154.3 | -74.3 | -174.4 | 174.6 | -172.9 | 0 | 120.3 | ||||
| 1131 | E | 25.7 | Very low | 26.5 | Very low | 176 Ų | 176 | 127.8 Ų | 127.8 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | 71.5 | 111.1 | 160.6 | -77.4 | 144.4 | -126.8 | 0 | 0 | 119.5 | ||||
| 1132 | A | 25.6 | Very low | 26.3 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | -100 | 156.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1133 | P | 29.8 | Very low | 26 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | -147.5 | -173.2 | 79.5 | 41.5 | -23.7 | 0 | 0 | 0 | 115.9 | |||||
| 1134 | A | 25.7 | Very low | 25.8 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -48.6 | 172.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1135 | V | 26.3 | Very low | 25.6 | Very low | 119 Ų | 119 | 124 Ų | 124 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | cis | -163.8 | 169.3 | 10.6 | 87.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1136 | D | 23.4 | Very low | 25.4 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | trans | 50.5 | 132 | 159.7 | -65 | -16.5 | 0 | 0 | 0 | 124.6 | ||||
| 1137 | S | 28.4 | Very low | 25.7 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | -145.4 | 124.2 | 120.1 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1138 | T | 24.6 | Very low | 25.8 | Very low | 115 Ų | 115 | 126 Ų | 126 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -100.8 | -172.4 | 175.5 | 51.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1139 | P | 30.8 | Very low | 26 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | cis | -152.7 | -176 | 17.9 | 45.1 | -22.6 | 0 | 0 | 0 | 119.8 | ||||
| 1140 | N | 27.3 | Very low | 26.1 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 66 | 103.5 | 141.3 | -75.9 | -1.8 | 0 | 0 | 0 | 123.4 | ||||
| 1141 | S | 24.8 | Very low | 26.3 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | 88.2 | 136.4 | 105.7 | 81.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1142 | I | 24.2 | Very low | 26.3 | Very low | 160 Ų | 160 | 120.8 Ų | 120.8 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | trans | 77.1 | 128.6 | 144.9 | -68.7 | 161.4 | 0 | 0 | 0 | 119.4 | ||||
| 1143 | A | 23.3 | Very low | 26.3 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | trans | 78.5 | 117.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1144 | K | 24.5 | Very low | 26 | Very low | 182 Ų | 182 | 122.7 Ų | 122.7 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | 87.9 | 109.4 | 127 | -74.4 | -178.9 | 173 | -177.6 | 0 | 122.6 | |||||
| 1145 | I | 23.3 | Very low | 25.9 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | 83.7 | 124.1 | 117.9 | -67.3 | 170 | 0 | 0 | 0 | 120.6 | |||||
| 1146 | S | 24 | Very low | 25.7 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | 71.8 | 134.6 | 155.8 | 75.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1147 | K | 29.6 | Very low | 25.7 | Very low | 196 Ų | 196 | 125.4 Ų | 125.4 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | -146.3 | 149.6 | 51.2 | -80.6 | 172.7 | 170.7 | 174 | 0 | 114.9 | |||||
| 1148 | A | 28.7 | Very low | 25.4 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 90% | 0.901 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 43.2 | 114.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1149 | G | 28.6 | Very low | 25.3 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | cis | -173.1 | 138.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1150 | S | 25.7 | Very low | 24.9 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -83.5 | -167.5 | 159.4 | 51.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1151 | A | 27.1 | Very low | 24.7 | Very low | 71 Ų | 71 | 129 Ų | 129 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | cis | -152.1 | -171 | 14.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1152 | E | 26.9 | Very low | 24.9 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | cis | -136.7 | 141.1 | 14 | -61.2 | 169.5 | 153.5 | 0 | 0 | 107.2 | ||||
| 1153 | D | 25.7 | Very low | 25.1 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | cis | 66.5 | 144.1 | 48.4 | -60.7 | -37.9 | 0 | 0 | 0 | 112.3 | ||||
| 1154 | L | 23.1 | Very low | 25.4 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | cis | -165.1 | 179.3 | -11.6 | -105.4 | 170 | 0 | 0 | 0 | 107.8 | ||||
| 1155 | H | 23.7 | Very low | 25.4 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | -17.6 | 159.9 | 149.1 | -74.9 | -111.7 | 0 | 0 | 0 | 118.7 | ||||
| 1156 | D | 21.6 | Very low | 25.5 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | -162.2 | 168 | 11.2 | -120.8 | -31.4 | 0 | 0 | 0 | 112.7 | ||||
| 1157 | S | 23.1 | Very low | 25.5 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 43.4 | 107.4 | 154.3 | 67.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1158 | E | 22.5 | Very low | 25.2 | Very low | 187 Ų | 187 | 124.9 Ų | 124.9 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -171.5 | 123.5 | 139.1 | -103.7 | 173.5 | -165.3 | 0 | 0 | 107.7 | ||||
| 1159 | S | 21.8 | Very low | 24.9 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | 47 | 134.9 | 99.4 | 77.7 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1160 | L | 23.3 | Very low | 24.6 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 73% | 0.733 | S | S | * | * | trans | 91.7 | 111.9 | 166.6 | -59.5 | 159.5 | 0 | 0 | 0 | 119 | ||||
| 1161 | S | 23.4 | Very low | 24.5 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | -91.8 | 171.7 | 150.6 | 59.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1162 | P | 29.3 | Very low | 24.2 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | cis | -145.1 | -153.2 | 29.3 | 42.9 | -19.9 | 0 | 0 | 0 | 115.7 | ||||
| 1163 | D | 28.7 | Very low | 23.9 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 76.8 | 133.4 | 168.7 | -59.3 | -31.9 | 0 | 0 | 0 | 118.2 | ||||
| 1164 | C | 27.7 | Very low | 23.8 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 68% | 0.676 | 76% | 0.757 | S | S | * | * | cis | -166.4 | 154.9 | -15.9 | -121.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1165 | V | 25 | Very low | 23.9 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 60.2 | 102.8 | 144.8 | 170.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1166 | I | 25.3 | Very low | 23.8 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | -170 | 154.3 | 54.7 | -98.3 | 161.6 | 0 | 0 | 0 | 106.9 | |||||
| 1167 | D | 25 | Very low | 23.8 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | cis | -172.3 | 162.4 | -11.6 | -102.9 | 3.2 | 0 | 0 | 0 | 108.3 | ||||
| 1168 | I | 22.5 | Very low | 23.7 | Very low | 135 Ų | 135 | 147 Ų | 147 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | cis | -152.2 | 147.1 | -24.8 | -133 | 173.6 | 0 | 0 | 0 | 109.2 | ||||
| 1169 | V | 23.2 | Very low | 23.8 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 51.1 | 121.5 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1170 | A | 22.8 | Very low | 23.9 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -112.5 | 175.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1171 | L | 21.9 | Very low | 24.2 | Very low | 164 Ų | 164 | 141 Ų | 141 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -27.7 | 152.4 | 168.8 | -163.5 | 75.9 | 0 | 0 | 0 | 118 | ||||
| 1172 | V | 21.5 | Very low | 24.2 | Very low | 128 Ų | 128 | 143 Ų | 143 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 131.9 | 145.7 | 147.5 | 173.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1173 | R | 21.6 | Very low | 24.2 | Very low | 235 Ų | 235 | 143.1 Ų | 143.1 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -142.6 | 160.3 | 177.4 | -112.7 | -174.9 | 177.3 | -176.1 | 0.4 | 111.7 | ||||
| 1174 | R | 23.5 | Very low | 24.1 | Very low | 233 Ų | 233 | 142.4 Ų | 142.4 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | 83.5 | 133.4 | 179.9 | -58.1 | 177.1 | 169.6 | 151.3 | -1.8 | 113.7 | ||||
| 1175 | T | 23.5 | Very low | 23.9 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | cis | -155.6 | -174.4 | 1.6 | 3.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1176 | K | 21.6 | Very low | 24 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | cis | -157.6 | -170.8 | 18.9 | -143.6 | 174.2 | -176.8 | 179.6 | 0 | 111.4 | ||||
| 1177 | F | 21.6 | Very low | 24 | Very low | 182 Ų | 182 | 145 Ų | 145 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | -70.1 | 166.4 | 168 | -73.2 | -96.3 | 0 | 0 | 0 | 112.6 | ||||
| 1178 | Q | 22.9 | Very low | 23.9 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | cis | -156.4 | -178 | 20.5 | -131 | 144.3 | -46.2 | 0 | 0 | 108.6 | ||||
| 1179 | S | 24.3 | Very low | 24.2 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | cis | -161.8 | 141.9 | 6.6 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1180 | A | 23.7 | Very low | 24.2 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 36.1 | 124.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1181 | T | 28.8 | Very low | 24.4 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | -163.3 | 119.3 | 110.8 | 40.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1182 | D | 24.6 | Very low | 24.5 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 34.5 | 145 | 140.1 | -52.9 | -15 | 0 | 0 | 0 | 123.4 | ||||
| 1183 | S | 27.7 | Very low | 24.7 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | cis | -171.7 | 126 | -16.8 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1184 | S | 27.9 | Very low | 25.1 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -164.2 | 147.4 | 132.9 | 56 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1185 | L | 23.2 | Very low | 25.1 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -120.5 | 176.5 | -164 | -81.2 | 163.1 | 0 | 0 | 0 | 110.9 | ||||
| 1186 | P | 27.4 | Very low | 25.3 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 59% | 0.591 | 77% | 0.774 | S | S | * | * | cis | -133.9 | -168.2 | 10.1 | 38.9 | -18.3 | 0 | 0 | 0 | 116.3 | ||||
| 1187 | E | 24.7 | Very low | 25.6 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 60.1 | 98.8 | 155.3 | -75.4 | 142.3 | -128.4 | 0 | 0 | 119.4 | ||||
| 1188 | T | 23.6 | Very low | 25.6 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | 76 | 80.9 | 76.4 | 61.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1189 | A | 27.7 | Very low | 26 | Very low | 85 Ų | 85 | 124.9 Ų | 124.9 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | -141.6 | 132.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1190 | A | 24.1 | Very low | 26 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | cis | 63.8 | 91.5 | 27.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1191 | V | 26.1 | Very low | 26 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -135.6 | 121.2 | -175.4 | 165.8 | 0 | 0 | 0 | 0 | 107 | V1193 | V1191-V1193 HydrophobicContact CG1-CB 3.82Å; V1191-V1193 HydrophobicContact CG1-CG2 3.87Å; V1191-V1193 HydrophobicContact CG2-CG2 4.33Å | ||
| 1192 | D | 23.4 | Very low | 25.8 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | cis | 59.7 | 64.3 | -4.4 | -76.5 | 27.4 | 0 | 0 | 0 | 117.9 | ||||
| 1193 | V | 27.6 | Very low | 25.7 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | -145.9 | 125.7 | 159 | 164.1 | 0 | 0 | 0 | 0 | 104.1 | V1191 | V1191-V1193 HydrophobicContact CG1-CB 3.82Å; V1191-V1193 HydrophobicContact CG1-CG2 3.87Å; V1191-V1193 HydrophobicContact CG2-CG2 4.33Å | ||
| 1194 | L | 28.8 | Very low | 25.5 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | cis | -124.4 | 123.4 | 27.9 | -69.7 | 154.6 | 0 | 0 | 0 | 114 | ||||
| 1195 | V | 22.9 | Very low | 25.4 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -96.4 | 138 | 131.8 | 172.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1196 | G | 28.8 | Very low | 25.4 | Very low | 60 Ų | 60 | 128.5 Ų | 128.5 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | trans | -109.1 | 108.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1197 | N | 27.3 | Very low | 25.6 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | 50.6 | 106.1 | 159.3 | -60.1 | -1 | 0 | 0 | 0 | 118.8 | ||||
| 1198 | T | 22.7 | Very low | 25.7 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 125.6 | 139.9 | 47.4 | 0 | 0 | 0 | 0 | 109 | ||
| 1199 | V | 30.2 | Very low | 26.1 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 147.1 | 161.7 | 173.8 | 0 | 0 | 0 | 0 | 107.2 | D1201 | V1199-D1201 PolarHBondContact O-N 3.21Š|
| 1200 | N | 23.7 | Very low | 26.4 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 122.9 | -177.2 | -56.4 | -13.8 | 0 | 0 | 0 | 112.2 | ||
| 1201 | D | 24.6 | Very low | 27 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -149.2 | 137.5 | 148.3 | -102.4 | -39.7 | 0 | 0 | 0 | 108.5 | V1199 S1203 | V1199-D1201 PolarHBondContact O-N 3.21Å; D1201-S1203 VanDerWaalsContact C-N 3.34Å; D1201-S1203 PolarHBondContact O-N 2.72Å | ||
| 1202 | E | 23.7 | Very low | 27.5 | Very low | 206 Ų | 206 | 126.4 Ų | 126.4 | 96% | 0.963 | 75% | 0.752 | S | S | * | * | trans | -83.8 | 69.1 | -175.8 | -65.7 | -177.5 | 138.4 | 0 | 0 | 111.5 | ||||
| 1203 | S | 23.6 | Very low | 28.6 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -156.7 | 139.6 | 170.9 | 59.3 | 0 | 0 | 0 | 0 | 115.5 | D1201 | D1201-S1203 VanDerWaalsContact C-N 3.34Å; D1201-S1203 PolarHBondContact O-N 2.72Å | ||
| 1204 | G | 24.1 | Very low | 29.6 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 55.8 | 92.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 119 | S1206 | G1204-S1206 VanDerWaalsContact C-N 3.33Å; G1204-S1206 PolarHBondContact O-N 2.97Å | ||
| 1205 | V | 24.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 119.6 Ų | 119.6 | 94% | 0.939 | 71% | 0.711 | S | S | * | * | trans | -72.5 | 89.8 | 156.9 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1206 | S | 24.1 | Very low | 32 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -91.5 | 114 | 167.9 | 52 | 0 | 0 | 0 | 0 | 110 | G1204 S1208 | G1204-S1206 VanDerWaalsContact C-N 3.33Å; G1204-S1206 PolarHBondContact O-N 2.97Å; S1206-S1208 PolarHBondContact O-N 2.89Å | ||
| 1207 | S | 30.5 | Very low | 32.8 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | trans | -70.2 | 117.4 | 171.1 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | F1209 | S1207-F1209 PolarHBondContact O-N 3.24Š| ||
| 1208 | S | 26.6 | Very low | 33.6 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -76.7 | 68.6 | -175.3 | 43.8 | 0 | 0 | 0 | 0 | 112.6 | S1206 T1210 | S1206-S1208 PolarHBondContact O-N 2.89Å; S1208-T1210 PolarHBondContact O-N 3.36Å | ||
| 1209 | F | 31.8 | Very low | 35 | Very low | 101 Ų | 101 | 115 Ų | 115 | 44% | 0.443 | 66% | 0.664 | S | S | . | * | trans | -58.4 | 103.6 | 166.5 | -90.7 | -88.3 | 0 | 0 | 0 | 110.2 | S1207 E1211 F1623 A1626 | S1207-F1209 PolarHBondContact O-N 3.24Å; F1209-E1211 PolarHBondContact O-N 2.98Å; F1209-E1211 VanDerWaalsContact O-N 3.17Å; F1209-F1623 HydrophobicContact CE2-CD1 4.38Å; F1209-F1623 HydrophobicContact CE2-CE1 4.19Å; F1209-F1623 AromaticContact CZ-CD1 3.89Å; F1209-F1623 HydrophobicContact CZ-CD1 3.89Å; F1209-F1623 HydrophobicContact CZ-CE1 4.1Å; F1209-A1626 HydrophobicContact CE1-CB 4.13Å; F1209-A1626 HydrophobicContact CZ-CB 4.39Å | ||
| 1210 | T | 36.1 | Very low | 36.1 | Very low | 113 Ų | 113 | 111.6 Ų | 111.6 | 69% | 0.693 | 64% | 0.643 | S | S | * | * | trans | -74.9 | 104.3 | 178.3 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | S1208 A1212 | S1208-T1210 PolarHBondContact O-N 3.36Å; T1210-A1212 PolarHBondContact O-N 2.86Å | ||
| 1211 | E | 35.9 | Very low | 37.6 | Very low | 193 Ų | 193 | 105.2 Ų | 105.2 | 90% | 0.902 | 61% | 0.609 | S | S | * | * | trans | 50.1 | 62.6 | 154.8 | -60.5 | -174.9 | 150.2 | 0 | 0 | 116.8 | F1209 | F1209-E1211 PolarHBondContact O-N 2.98Å; F1209-E1211 VanDerWaalsContact O-N 3.17Å | ||
| 1212 | A | 36.4 | Very low | 38.9 | Very low | 25 Ų | 25 | 100.9 Ų | 100.9 | 21% | 0.207 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -91.1 | 151 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | T1210 R1629 | T1210-A1212 PolarHBondContact O-N 2.86Å; A1212-R1629 PolarHBondContact O-NH2 2.86Å |
| 1213 | P | 46.6 | Very low | 40.7 | Very low | 81 Ų | 81 | 91.8 Ų | 91.8 | 53% | 0.526 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 143.1 | -179.6 | 23.4 | -34 | 0 | 0 | 0 | 112 | R1629 | P1213-R1629 VanDerWaalsContact O-CZ 3.28Å; P1213-R1629 PolarHBondContact O-NE 2.84Å; P1213-R1629 PolarHBondContact O-NH2 2.78Å |
| 1214 | E | 48.6 | Very low | 42 | Very low | 182 Ų | 182 | 89.1 Ų | 89.1 | 85% | 0.85 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 126.5 | 175.6 | -65.9 | -171.8 | 147.7 | 0 | 0 | 110.4 | ||
| 1215 | L | 51.5 | Low | 43.3 | Very low | 25 Ų | 25 | 86.6 Ų | 86.6 | 13% | 0.131 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 147.9 | 168.2 | -75.5 | 173.6 | 0 | 0 | 0 | 109.2 | L1217 T1220 R1629 Y1632 | L1215-L1217 PolarHBondContact O-N 2.88Å; L1215-T1220 HydrophobicContact CB-CG2 3.74Å; L1215-T1220 HydrophobicContact CD1-CG2 4.41Å; L1215-R1629 HydrophobicContact CD1-CG 4.37Å; L1215-R1629 HydrophobicContact CG-CG 4.41Å; L1215-Y1632 HydrophobicContact CD2-CD1 3.78Å; L1215-Y1632 HydrophobicContact CD2-CE1 4.5Å |
| 1216 | P | 50.5 | Low | 44.3 | Very low | 70 Ų | 70 | 85 Ų | 85 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 137.9 | 168.9 | -23.3 | 34.5 | 0 | 0 | 0 | 110.9 | N1218 E1219 T1220 | P1216-N1218 PolarHBondContact O-N 2.95Å; P1216-E1219 WeakPolarHBondContact CG-OE2 3.48Å; P1216-E1219 PolarHBondContact O-N 3.41Å; P1216-T1220 PolarHBondContact O-N 2.92Å |
| 1217 | L | 44.8 | Very low | 45.5 | Very low | 161 Ų | 161 | 84.7 Ų | 84.7 | 84% | 0.843 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -14.4 | 175.2 | -88.6 | 159.1 | 0 | 0 | 0 | 114.7 | L1215 T1220 | L1215-L1217 PolarHBondContact O-N 2.88Å; L1217-T1220 PolarHBondContact O-OG1 3.37Å |
| 1218 | N | 45.7 | Very low | 46.4 | Very low | 131 Ų | 131 | 84.7 Ų | 84.7 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12.1 | 177.9 | -63.8 | -16.7 | 0 | 0 | 0 | 113.9 | P1216 | P1216-N1218 PolarHBondContact O-N 2.95Š|
| 1219 | E | 52 | Low | 47.6 | Very low | 49 Ų | 49 | 85.9 Ų | 85.9 | 23% | 0.229 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | -3 | -173.3 | -63.3 | 178.8 | 152.6 | 0 | 0 | 112.3 | P1216 I1221 Y1632 K1640 | P1216-E1219 WeakPolarHBondContact CG-OE2 3.48Å; P1216-E1219 PolarHBondContact O-N 3.41Å; E1219-I1221 PolarHBondContact O-N 2.66Å; E1219-Y1632 HydrophobicContact CB-CE1 4.26Å; E1219-Y1632 HydrophobicContact CG-CE1 4.45Å; E1219-Y1632 PolarHBondContact OE1-OH 3.09Å; E1219-K1640 IonicContact OE1-NZ 3.65Å; E1219-K1640 PolarHBondContact OE1-NZ 3.42Å |
| 1220 | T | 51.5 | Low | 48.7 | Very low | 61 Ų | 61 | 85.9 Ų | 85.9 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | trans | -77.4 | 94.4 | 173.3 | 42.2 | 0 | 0 | 0 | 0 | 112.3 | L1215 P1216 L1217 | L1215-T1220 HydrophobicContact CB-CG2 3.74Å; L1215-T1220 HydrophobicContact CD1-CG2 4.41Å; P1216-T1220 PolarHBondContact O-N 2.92Å; L1217-T1220 PolarHBondContact O-OG1 3.37Å | ||
| 1221 | I | 55.6 | Low | 49.7 | Very low | 19 Ų | 19 | 81.3 Ų | 81.3 | 10% | 0.097 | 43% | 0.434 | C | S | . | . | trans | -76.5 | 131.7 | 169.3 | -70.7 | 169.8 | 0 | 0 | 0 | 110.4 | E1219 F1223 H1515 E1518 H1625 | E1219-I1221 PolarHBondContact O-N 2.66Å; I1221-F1223 HydrophobicContact CB-CD2 4.22Å; I1221-F1223 HydrophobicContact CB-CE1 4.25Å; I1221-F1223 HydrophobicContact CB-CE2 3.61Å; I1221-F1223 HydrophobicContact CB-CZ 3.64Å; I1221-F1223 HydrophobicContact CD1-CZ 4.16Å; I1221-F1223 HydrophobicContact CG1-CZ 4.5Å; I1221-F1223 HydrophobicContact CG2-CD1 3.83Å; I1221-F1223 HydrophobicContact CG2-CD2 3.95Å; I1221-F1223 HydrophobicContact CG2-CE1 3.55Å; I1221-F1223 HydrophobicContact CG2-CE2 3.67Å; I1221-F1223 HydrophobicContact CG2-CG 4.03Å; I1221-F1223 HydrophobicContact CG2-CZ 3.47Å; I1221-F1223 VanDerWaalsContact CG2-CZ 3.47Å; I1221-F1223 VanDerWaalsContact O-CD2 3.25Å; I1221-F1223 WeakPolarHBondContact O-CD2 3.49Å; I1221-F1223 PolarHBondContact O-N 2.87Å; I1221-H1515 HydrophobicContact CD1-CB 3.82Å; I1221-H1515 WeakPolarHBondContact CD1-ND1 3.32Å; I1221-E1518 WeakPolarHBondContact CG1-OE2 3.31Å; I1221-E1518 WeakPolarHBondContact CG2-OE2 3.42Å; I1221-H1625 PolarHBondContact O-CD2 2.94Å | ||
| 1222 | S | 52.4 | Low | 51.1 | Low | 61 Ų | 61 | 73.4 Ų | 73.4 | 43% | 0.427 | 41% | 0.405 | S | S | . | . | trans | -79.7 | 81.5 | 174.6 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | I1224 K1230 | S1222-I1224 PolarHBondContact O-N 2.75Å; S1222-K1230 PolarHBondContact OG-NZ 2.75Å | ||
| 1223 | F | 61.3 | Low | 52.9 | Low | 14 Ų | 14 | 76.2 Ų | 76.2 | 6% | 0.061 | 42% | 0.421 | C | S | . | . | trans | -68.7 | 3.1 | 173.3 | -56.6 | -81 | 0 | 0 | 0 | 114.3 | I1221 L1511 R1514 L1624 H1625 W1628 | I1221-F1223 HydrophobicContact CB-CD2 4.22Å; I1221-F1223 HydrophobicContact CB-CE1 4.25Å; I1221-F1223 HydrophobicContact CB-CE2 3.61Å; I1221-F1223 HydrophobicContact CB-CZ 3.64Å; I1221-F1223 HydrophobicContact CD1-CZ 4.16Å; I1221-F1223 HydrophobicContact CG1-CZ 4.5Å; I1221-F1223 HydrophobicContact CG2-CD1 3.83Å; I1221-F1223 HydrophobicContact CG2-CD2 3.95Å; I1221-F1223 HydrophobicContact CG2-CE1 3.55Å; I1221-F1223 HydrophobicContact CG2-CE2 3.67Å; I1221-F1223 HydrophobicContact CG2-CG 4.03Å; I1221-F1223 HydrophobicContact CG2-CZ 3.47Å; I1221-F1223 VanDerWaalsContact CG2-CZ 3.47Å; I1221-F1223 VanDerWaalsContact O-CD2 3.25Å; I1221-F1223 WeakPolarHBondContact O-CD2 3.49Å; I1221-F1223 PolarHBondContact O-N 2.87Å; F1223-L1511 HydrophobicContact CD1-CD2 3.42Å; F1223-L1511 VanDerWaalsContact CD1-CD2 3.42Å; F1223-L1511 HydrophobicContact CD2-CD2 4.27Å; F1223-L1511 HydrophobicContact CE1-CD2 3.36Å; F1223-L1511 HydrophobicContact CE2-CD2 4.23Å; F1223-L1511 HydrophobicContact CG-CD2 3.89Å; F1223-L1511 HydrophobicContact CZ-CD2 3.79Å; F1223-R1514 HydrophobicContact CD1-CG 4.42Å; F1223-R1514 HydrophobicContact CE1-CB 4.24Å; F1223-R1514 HydrophobicContact CE1-CG 4.12Å; F1223-L1624 HydrophobicContact CB-CB 3.84Å; F1223-L1624 HydrophobicContact CG-CB 4.45Å; F1223-H1625 HydrophobicContact CB-CB 4.46Å; F1223-H1625 HydrophobicContact CD2-CB 4.13Å; F1223-W1628 HydrophobicContact CD2-CB 4.22Å; F1223-W1628 HydrophobicContact CD2-CG 4.49Å; F1223-W1628 HydrophobicContact CE2-CB 3.58Å; F1223-W1628 AromaticContact CE2-CD1 3.36Å; F1223-W1628 HydrophobicContact CE2-CD2 4.24Å; F1223-W1628 AromaticContact CE2-CG 3.42Å; F1223-W1628 HydrophobicContact CE2-CG 3.42Å; F1223-W1628 VanDerWaalsContact CE2-CG 3.42Å; F1223-W1628 HydrophobicContact CZ-CB 4.03Å; F1223-W1628 AromaticContact CZ-CD1 3.66Å; F1223-W1628 AromaticContact CZ-CD2 3.9Å; F1223-W1628 HydrophobicContact CZ-CD2 3.9Å; F1223-W1628 AromaticContact CZ-CG 3.57Å; F1223-W1628 HydrophobicContact CZ-CG 3.57Å; F1223-W1628 AromaticContact CZ-NE1 3.92Å | ||
| 1224 | I | 51.8 | Low | 54.5 | Low | 50 Ų | 50 | 73.8 Ų | 73.8 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | trans | -123.7 | 102.5 | 174.9 | -58.8 | 89.8 | 0 | 0 | 0 | 107 | S1222 D1226 F1623 H1625 | S1222-I1224 PolarHBondContact O-N 2.75Å; I1224-D1226 HydrophobicContact CG2-CB 4.16Å; I1224-D1226 VanDerWaalsContact CG2-OD2 3.29Å; I1224-D1226 WeakPolarHBondContact CG2-OD2 3.44Å; I1224-D1226 PolarHBondContact O-N 3.18Å; I1224-D1226 VanDerWaalsContact O-N 3.15Å; I1224-F1623 HydrophobicContact CD1-CD1 4.34Å; I1224-F1623 HydrophobicContact CD1-CD2 4.11Å; I1224-F1623 HydrophobicContact CD1-CE1 3.82Å; I1224-F1623 HydrophobicContact CD1-CE2 3.56Å; I1224-F1623 HydrophobicContact CD1-CG 4.48Å; I1224-F1623 HydrophobicContact CD1-CZ 3.4Å; I1224-F1623 HydrophobicContact CG1-CD2 4.13Å; I1224-F1623 HydrophobicContact CG1-CE2 3.6Å; I1224-F1623 HydrophobicContact CG1-CZ 3.95Å; I1224-H1625 HydrophobicContact CD1-CB 3.56Å | ||
| 1225 | D | 50.7 | Low | 56.2 | Low | 16 Ų | 16 | 65.2 Ų | 65.2 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | trans | -81.5 | 73.3 | 165.7 | -66.7 | -51 | 0 | 0 | 0 | 109.1 | K1230 G1412 | D1225-K1230 IonicContact OD1-NZ 3.91Å; D1225-K1230 PolarHBondContact OD1-NZ 3.1Å; D1225-G1412 WeakPolarHBondContact OD2-CA 3.5Å | ||
| 1226 | D | 46.4 | Very low | 58 | Low | 121 Ų | 121 | 64 Ų | 64 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | trans | -74.2 | -14.2 | 165 | -87.1 | -32.1 | 0 | 0 | 0 | 111.5 | I1224 D1228 | I1224-D1226 HydrophobicContact CG2-CB 4.16Å; I1224-D1226 VanDerWaalsContact CG2-OD2 3.29Å; I1224-D1226 WeakPolarHBondContact CG2-OD2 3.44Å; I1224-D1226 PolarHBondContact O-N 3.18Å; I1224-D1226 VanDerWaalsContact O-N 3.15Å; D1226-D1228 VanDerWaalsContact C-N 3.3Å; D1226-D1228 PolarHBondContact O-N 3.43Å | ||
| 1227 | D | 49.3 | Very low | 59.9 | Low | 102 Ų | 102 | 61.3 Ų | 61.3 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | trans | -68.6 | 80.5 | 166.7 | -66.4 | -38.1 | 0 | 0 | 0 | 111.3 | D1229 K1230 | D1227-D1229 PolarHBondContact O-N 2.9Å; D1227-K1230 HydrophobicContact CB-CD 4.14Å; D1227-K1230 HydrophobicContact CB-CG 3.79Å; D1227-K1230 PolarHBondContact O-N 3.43Å; D1227-K1230 VanDerWaalsContact OD2-CE 3.28Å; D1227-K1230 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 1228 | D | 49.2 | Very low | 62.2 | Low | 88 Ų | 88 | 53.6 Ų | 53.6 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -18 | 171.1 | -85.1 | -33.9 | 0 | 0 | 0 | 113.3 | D1226 K1414 | D1226-D1228 VanDerWaalsContact C-N 3.3Å; D1226-D1228 PolarHBondContact O-N 3.43Å; D1228-K1414 WeakPolarHBondContact OD1-CD 3.3Å; D1228-K1414 IonicContact OD1-NZ 3.3Å; D1228-K1414 PolarHBondContact OD1-NZ 3.47Å; D1228-K1414 IonicContact OD2-NZ 3.8Å; D1228-K1414 PolarHBondContact OD2-NZ 3.07Å |
| 1229 | D | 52.4 | Low | 64.4 | Low | 141 Ų | 141 | 48.7 Ų | 48.7 | 75% | 0.754 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.6 | -177.9 | -85.3 | -34.4 | 0 | 0 | 0 | 115.9 | D1227 S1231 | D1227-D1229 PolarHBondContact O-N 2.9Å; D1229-S1231 CarbonylContact O-C 3.46Å; D1229-S1231 PolarHBondContact O-N 2.83Å |
| 1230 | K | 54.3 | Low | 66.3 | Low | 100 Ų | 100 | 47.1 Ų | 47.1 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -53.7 | -26.7 | 180 | -91.8 | 179 | -173.8 | 179 | 0 | 114 | S1222 D1225 D1227 | S1222-K1230 PolarHBondContact OG-NZ 2.75Å; D1225-K1230 IonicContact OD1-NZ 3.91Å; D1225-K1230 PolarHBondContact OD1-NZ 3.1Å; D1227-K1230 HydrophobicContact CB-CD 4.14Å; D1227-K1230 HydrophobicContact CB-CG 3.79Å; D1227-K1230 PolarHBondContact O-N 3.43Å; D1227-K1230 VanDerWaalsContact OD2-CE 3.28Å; D1227-K1230 WeakPolarHBondContact OD2-CE 3.37Å |
| 1231 | S | 56.5 | Low | 68.3 | Low | 18 Ų | 18 | 44.2 Ų | 44.2 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -131 | 139.8 | 155.7 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | D1229 T1410 C1411 K1415 | D1229-S1231 CarbonylContact O-C 3.46Å; D1229-S1231 PolarHBondContact O-N 2.83Å; S1231-T1410 WeakPolarHBondContact CB-O 3.25Å; S1231-T1410 PolarHBondContact N-O 3.5Å; S1231-T1410 PolarHBondContact OG-O 3.39Å; S1231-C1411 WeakPolarHBondContact OG-CA 3.46Å; S1231-C1411 PolarHBondContact OG-SG 2.67Å; S1231-K1415 PolarHBondContact O-NZ 3.33Å; S1231-K1415 PolarHBondContact OG-NZ 2.95Å; S1231-K1415 VanDerWaalsContact OG-NZ 3.14Å |
| 1232 | G | 64.9 | Low | 70.2 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | trans | -57.9 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1234 G1235 | G1232-F1234 PolarHBondContact O-N 3.03Å; G1232-G1235 PolarHBondContact O-N 3.05Å; G1232-G1235 VanDerWaalsContact O-N 3.12Å | ||
| 1233 | P | 73.9 | Confident | 72.1 | Confident | 84 Ų | 84 | 41.1 Ų | 41.1 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11.2 | -168.8 | 23.2 | -34.6 | 0 | 0 | 0 | 115 | M914 | M914-P1233 VanDerWaalsContact CE-O 3.27Å; M914-P1233 WeakPolarHBondContact CE-O 3.35Å |
| 1234 | F | 81.2 | Confident | 73.7 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.1 | -179.2 | -43.9 | -61.7 | 0 | 0 | 0 | 114.4 | R910 I924 P925 F928 W930 G1232 | R910-F1234 PolarHBondContact NH1-O 3.49Å; I924-F1234 HydrophobicContact CG1-CD1 4.45Å; I924-F1234 HydrophobicContact CG1-CG 4.37Å; I924-F1234 HydrophobicContact CG2-CD2 4.24Å; I924-F1234 HydrophobicContact CG2-CE2 4.29Å; P925-F1234 HydrophobicContact CG-CZ 3.96Å; F928-F1234 HydrophobicContact CD2-CD2 4.47Å; F928-F1234 HydrophobicContact CD2-CE2 4.24Å; F928-F1234 HydrophobicContact CE1-CD2 4.43Å; F928-F1234 HydrophobicContact CE2-CD2 4.21Å; F928-F1234 HydrophobicContact CE2-CE2 4.31Å; F928-F1234 HydrophobicContact CZ-CD2 4.19Å; W930-F1234 HydrophobicContact CH2-CB 4.33Å; G1232-F1234 PolarHBondContact O-N 3.03Å |
| 1235 | G | 84.6 | Confident | 75.8 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | 84.8 | -153.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1232 C1411 | G1232-G1235 PolarHBondContact O-N 3.05Å; G1232-G1235 VanDerWaalsContact O-N 3.12Å; G1235-C1411 VanDerWaalsContact C-SG 3.59Å | ||
| 1236 | P | 89.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -66 | 151.5 | -171.4 | 26.2 | -33.9 | 0 | 0 | 0 | 112.4 | R910 I1241 F1407 T1410 C1411 | R910-P1236 WeakPolarHBondContact CD-O 3.3Å; R910-P1236 HydrophobicContact CG-CG 4.18Å; P1236-I1241 HydrophobicContact CB-CD1 4.13Å; P1236-I1241 HydrophobicContact CB-CG1 3.93Å; P1236-I1241 HydrophobicContact CG-CD1 3.72Å; P1236-I1241 HydrophobicContact CG-CG1 3.71Å; P1236-F1407 HydrophobicContact CG-CD1 4.27Å; P1236-F1407 HydrophobicContact CG-CD2 4.35Å; P1236-F1407 HydrophobicContact CG-CE1 3.9Å; P1236-F1407 HydrophobicContact CG-CE2 3.99Å; P1236-F1407 HydrophobicContact CG-CG 4.49Å; P1236-F1407 HydrophobicContact CG-CZ 3.74Å; P1236-T1410 WeakPolarHBondContact CB-OG1 3.36Å; P1236-C1411 VanDerWaalsContact CD-SG 3.53Å; P1236-C1411 VanDerWaalsContact N-SG 3.38Å |
| 1237 | N | 90.3 | Very high | 79.9 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.064 | 18% | 0.176 | C | C | . | . | trans | -69.1 | 135.2 | 174.1 | 179.6 | -22.2 | 0 | 0 | 0 | 109.6 | W930 E931 R1239 D1240 I1241 | W930-N1237 HydrophobicContact CE3-CB 3.79Å; W930-N1237 HydrophobicContact CZ3-CB 4.02Å; E931-N1237 PolarHBondContact O-ND2 3.24Å; N1237-R1239 HydrophobicContact CB-CG 4.36Å; N1237-R1239 PolarHBondContact O-N 2.98Å; N1237-R1239 PolarHBondContact OD1-N 2.87Å; N1237-D1240 WeakPolarHBondContact CB-OD2 3.39Å; N1237-D1240 PolarHBondContact O-N 2.9Å; N1237-I1241 PolarHBondContact O-N 3.11Å | ||
| 1238 | P | 92.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -51.9 | -23.4 | 176.6 | -29.9 | 36.1 | 0 | 0 | 0 | 115.5 | P658 L903 A906 D907 W930 L1242 | P658-P1238 HydrophobicContact CG-CB 4.31Å; L903-P1238 HydrophobicContact CD2-CB 4.45Å; A906-P1238 HydrophobicContact CB-CB 4.21Å; A906-P1238 VanDerWaalsContact CB-O 3.29Å; A906-P1238 WeakPolarHBondContact CB-O 3.48Å; D907-P1238 HydrophobicContact CB-CB 4.35Å; D907-P1238 HydrophobicContact CB-CG 3.96Å; W930-P1238 HydrophobicContact CZ2-CG 4.17Å; P1238-L1242 WeakPolarHBondContact O-CB 3.31Å; P1238-L1242 PolarHBondContact O-N 3.21Å |
| 1239 | R | 92 | Very high | 83.2 | Confident | 27 Ų | 27 | 28.4 Ų | 28.4 | 10% | 0.102 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 173 | 83.7 | -174.6 | 178.5 | -163.8 | -12.1 | 112.3 | P658 E931 P932 M933 W937 N1237 L1242 E1243 | P658-R1239 HydrophobicContact CG-CB 4.2Å; E931-R1239 IonicContact OE2-CZ 3.61Å; E931-R1239 VanDerWaalsContact OE2-CZ 3.25Å; E931-R1239 IonicContact OE2-NH1 2.75Å; E931-R1239 PolarHBondContact OE2-NH1 3.11Å; E931-R1239 IonicContact OE2-NH2 3.88Å; E931-R1239 PolarHBondContact OE2-NH2 2.93Å; P932-R1239 PolarHBondContact O-NH1 2.89Å; M933-R1239 HydrophobicContact CB-CB 4.35Å; M933-R1239 HydrophobicContact CE-CB 3.85Å; W937-R1239 HydrophobicContact CD2-CG 4.49Å; W937-R1239 HydrophobicContact CZ2-CB 4.37Å; W937-R1239 HydrophobicContact CZ2-CG 3.97Å; N1237-R1239 HydrophobicContact CB-CG 4.36Å; N1237-R1239 PolarHBondContact O-N 2.98Å; N1237-R1239 PolarHBondContact OD1-N 2.87Å; R1239-L1242 WeakPolarHBondContact O-CB 3.28Å; R1239-L1242 PolarHBondContact O-N 3.03Å; R1239-E1243 PolarHBondContact O-N 2.91Å; R1239-E1243 VanDerWaalsContact O-N 3.07Å |
| 1240 | D | 91.3 | Very high | 84.8 | Confident | 16 Ų | 16 | 21.9 Ų | 21.9 | 9% | 0.086 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -80.8 | -21.4 | -174.3 | -45.6 | -46.2 | 0 | 0 | 0 | 110.8 | W937 N1237 S1406 T1410 | W937-D1240 PolarHBondContact NE1-OD1 3.45Å; N1237-D1240 WeakPolarHBondContact CB-OD2 3.39Å; N1237-D1240 PolarHBondContact O-N 2.9Å; D1240-S1406 VanDerWaalsContact C-OG 3.23Å; D1240-S1406 PolarHBondContact O-OG 3.24Å; D1240-T1410 HydrophobicContact CB-CG2 4.1Å; D1240-T1410 WeakPolarHBondContact OD2-CG2 3.29Å |
| 1241 | I | 94.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -78 | -35 | 167.3 | -67.8 | -68 | 0 | 0 | 0 | 111.2 | A906 L909 P1236 N1237 E1243 A1244 L1245 L1403 F1407 | A906-I1241 HydrophobicContact CB-CB 4.1Å; A906-I1241 HydrophobicContact CB-CG2 3.75Å; L909-I1241 HydrophobicContact CD2-CG2 4.28Å; P1236-I1241 HydrophobicContact CB-CD1 4.13Å; P1236-I1241 HydrophobicContact CB-CG1 3.93Å; P1236-I1241 HydrophobicContact CG-CD1 3.72Å; P1236-I1241 HydrophobicContact CG-CG1 3.71Å; N1237-I1241 PolarHBondContact O-N 3.11Å; I1241-E1243 VanDerWaalsContact C-N 3.33Å; I1241-A1244 PolarHBondContact O-N 2.7Å; I1241-L1245 HydrophobicContact CG2-CD1 3.97Å; I1241-L1245 HydrophobicContact CG2-CG 4.46Å; I1241-L1245 VanDerWaalsContact O-CG 3.31Å; I1241-L1245 WeakPolarHBondContact O-CG 3.4Å; I1241-L1245 PolarHBondContact O-N 2.79Å; I1241-L1245 VanDerWaalsContact O-N 3.09Å; I1241-L1403 HydrophobicContact CD1-CD2 3.77Å; I1241-L1403 HydrophobicContact CG2-CD2 4.14Å; I1241-F1407 HydrophobicContact CD1-CD2 4.12Å; I1241-F1407 HydrophobicContact CD1-CE2 3.8Å |
| 1242 | L | 94.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -36.6 | 174.8 | 177.6 | 54.1 | 0 | 0 | 0 | 111.9 | H902 L903 A906 M933 P1238 R1239 L1245 T1246 F1254 | H902-L1242 HydrophobicContact CB-CD1 3.64Å; H902-L1242 HydrophobicContact CB-CD2 4.15Å; L903-L1242 HydrophobicContact CD2-CB 4.42Å; L903-L1242 HydrophobicContact CD2-CD2 3.72Å; L903-L1242 HydrophobicContact CG-CD2 3.99Å; A906-L1242 HydrophobicContact CB-CB 4.2Å; M933-L1242 HydrophobicContact CE-CD2 4.19Å; P1238-L1242 WeakPolarHBondContact O-CB 3.31Å; P1238-L1242 PolarHBondContact O-N 3.21Å; R1239-L1242 WeakPolarHBondContact O-CB 3.28Å; R1239-L1242 PolarHBondContact O-N 3.03Å; L1242-L1245 PolarHBondContact O-N 2.9Å; L1242-T1246 PolarHBondContact O-N 3.5Å; L1242-T1246 PolarHBondContact O-OG1 2.9Å; L1242-F1254 HydrophobicContact CD2-CZ 4.36Å; L1242-F1254 HydrophobicContact CG-CE2 4.23Å; L1242-F1254 HydrophobicContact CG-CZ 4.1Å |
| 1243 | E | 93.3 | Very high | 88.3 | Confident | 13 Ų | 13 | 22.1 Ų | 22.1 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56 | -53.4 | 171.1 | -171.1 | 174.5 | -166.8 | 0 | 0 | 111.5 | W937 A941 R1239 I1241 L1245 T1246 F1254 L1259 | W937-E1243 HydrophobicContact CH2-CB 4.27Å; W937-E1243 HydrophobicContact CZ2-CB 4.29Å; W937-E1243 WeakPolarHBondContact CZ2-OE2 3.48Å; A941-E1243 WeakPolarHBondContact CB-OE1 3.5Å; R1239-E1243 PolarHBondContact O-N 2.91Å; R1239-E1243 VanDerWaalsContact O-N 3.07Å; I1241-E1243 VanDerWaalsContact C-N 3.33Å; E1243-L1245 PolarHBondContact O-N 2.83Å; E1243-T1246 PolarHBondContact O-N 2.68Å; E1243-F1254 HydrophobicContact CB-CD2 4.1Å; E1243-F1254 HydrophobicContact CB-CE2 4.43Å; E1243-F1254 HydrophobicContact CG-CB 4.34Å; E1243-F1254 HydrophobicContact CG-CD2 4.04Å; E1243-F1254 HydrophobicContact CG-CG 4.44Å; E1243-L1259 HydrophobicContact CB-CD1 4.03Å; E1243-L1259 HydrophobicContact CG-CD1 3.74Å |
| 1244 | A | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.7 | -22.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | I1241 L1259 C1399 A1402 L1403 | I1241-A1244 PolarHBondContact O-N 2.7Å; A1244-L1259 HydrophobicContact CB-CD1 3.95Å; A1244-C1399 PolarHBondContact O-SG 3.33Å; A1244-A1402 HydrophobicContact CB-CB 3.88Å; A1244-L1403 HydrophobicContact CB-CD2 3.79Å; A1244-L1403 HydrophobicContact CB-CG 3.97Å |
| 1245 | L | 95.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -85.8 | -9.3 | 175.8 | -73.4 | 171.1 | 0 | 0 | 0 | 113.6 | A906 L909 I1241 L1242 E1243 I1309 F1312 M1313 V1314 | A906-L1245 HydrophobicContact CB-CD1 4.4Å; L909-L1245 HydrophobicContact CD2-CD1 4.15Å; L909-L1245 HydrophobicContact CD2-CD2 4Å; L909-L1245 HydrophobicContact CD2-CG 4.43Å; I1241-L1245 HydrophobicContact CG2-CD1 3.97Å; I1241-L1245 HydrophobicContact CG2-CG 4.46Å; I1241-L1245 VanDerWaalsContact O-CG 3.31Å; I1241-L1245 WeakPolarHBondContact O-CG 3.4Å; I1241-L1245 PolarHBondContact O-N 2.79Å; I1241-L1245 VanDerWaalsContact O-N 3.09Å; L1242-L1245 PolarHBondContact O-N 2.9Å; E1243-L1245 PolarHBondContact O-N 2.83Å; L1245-I1309 HydrophobicContact CD2-CG2 4.35Å; L1245-F1312 HydrophobicContact CD1-CB 4.19Å; L1245-F1312 HydrophobicContact CD2-CB 3.82Å; L1245-M1313 HydrophobicContact CD2-CG 4.31Å; L1245-M1313 CarbonylContact O-C 3.55Å; L1245-M1313 VanDerWaalsContact O-CA 3.29Å; L1245-M1313 WeakPolarHBondContact O-CA 3.41Å; L1245-V1314 PolarHBondContact O-N 3.25Å |
| 1246 | T | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -102.5 | 106.5 | -170.6 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | L1242 E1243 A1250 D1252 F1254 S1255 L1256 V1314 | L1242-T1246 PolarHBondContact O-N 3.5Å; L1242-T1246 PolarHBondContact O-OG1 2.9Å; E1243-T1246 PolarHBondContact O-N 2.68Å; T1246-A1250 HydrophobicContact CG2-CB 3.84Å; T1246-D1252 HydrophobicContact CG2-CB 3.97Å; T1246-F1254 HydrophobicContact CG2-CD2 4.33Å; T1246-F1254 HydrophobicContact CG2-CE2 4.17Å; T1246-S1255 WeakPolarHBondContact O-CA 3.32Å; T1246-L1256 WeakPolarHBondContact O-CB 3.45Å; T1246-L1256 WeakPolarHBondContact O-CG 3.43Å; T1246-L1256 PolarHBondContact O-N 3.37Å; T1246-V1314 HydrophobicContact CG2-CB 4.44Å |
| 1247 | A | 90.6 | Very high | 89.4 | Confident | 6 Ų | 6 | 19.7 Ų | 19.7 | 5% | 0.05 | 11% | 0.109 | C | C | . | . | trans | -71.9 | 151.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1249 A1250 L1256 M1313 V1314 | A1247-S1249 PolarHBondContact O-N 2.93Å; A1247-S1249 VanDerWaalsContact O-N 3.16Å; A1247-A1250 WeakPolarHBondContact O-CB 3.47Å; A1247-A1250 PolarHBondContact O-N 3.32Å; A1247-L1256 HydrophobicContact CB-CD2 4.22Å; A1247-M1313 HydrophobicContact CB-CE 4.28Å; A1247-V1314 PolarHBondContact N-O 3.49Å | ||
| 1248 | S | 83.9 | Confident | 89.3 | Confident | 57 Ų | 57 | 19.2 Ų | 19.2 | 40% | 0.399 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -59.4 | -27.8 | 178.8 | 41.8 | 0 | 0 | 0 | 0 | 113.7 | A1250 H1251 E1257 | S1248-A1250 PolarHBondContact O-N 2.89Å; S1248-A1250 VanDerWaalsContact O-N 3.09Å; S1248-H1251 PolarHBondContact O-N 3.5Å; S1248-E1257 WeakPolarHBondContact CB-OE1 3.47Å; S1248-E1257 PolarHBondContact OG-OE1 3.33Å |
| 1249 | S | 83 | Confident | 89.2 | Confident | 60 Ų | 60 | 19.3 Ų | 19.3 | 42% | 0.42 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -65.3 | -5.2 | 170.3 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | A1247 H1251 G1315 K1317 | A1247-S1249 PolarHBondContact O-N 2.93Å; A1247-S1249 VanDerWaalsContact O-N 3.16Å; S1249-H1251 PolarHBondContact O-CD2 3.03Å; S1249-G1315 PolarHBondContact OG-O 2.95Å; S1249-K1317 PolarHBondContact O-N 3.43Å |
| 1250 | A | 85.6 | Confident | 89.3 | Confident | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.033 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -80.8 | -14.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1246 A1247 S1248 D1252 V1314 K1317 | T1246-A1250 HydrophobicContact CG2-CB 3.84Å; A1247-A1250 WeakPolarHBondContact O-CB 3.47Å; A1247-A1250 PolarHBondContact O-N 3.32Å; S1248-A1250 PolarHBondContact O-N 2.89Å; S1248-A1250 VanDerWaalsContact O-N 3.09Å; A1250-D1252 PolarHBondContact O-N 3.49Å; A1250-D1252 VanDerWaalsContact O-N 3.13Å; A1250-V1314 HydrophobicContact CB-CB 4.33Å; A1250-V1314 HydrophobicContact CB-CG1 3.7Å; A1250-K1317 VanDerWaalsContact O-CA 3.28Å; A1250-K1317 WeakPolarHBondContact O-CA 3.49Å |
| 1251 | H | 81.7 | Confident | 89.3 | Confident | 110 Ų | 110 | 19.6 Ų | 19.6 | 51% | 0.509 | 11% | 0.11 | S | C | . | . | trans | 44.1 | 44.7 | -177.6 | -57.9 | -87.7 | 0 | 0 | 0 | 113.1 | S1248 S1249 K1317 | S1248-H1251 PolarHBondContact O-N 3.5Å; S1249-H1251 PolarHBondContact O-CD2 3.03Å; H1251-K1317 HydrophobicContact CB-CG 4.44Å | ||
| 1252 | D | 85.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 19.5 Ų | 19.5 | 12% | 0.123 | 11% | 0.11 | C | C | . | . | trans | -85.9 | -178.6 | 169.8 | -150.5 | -34.6 | 0 | 0 | 0 | 109.4 | R899 T1246 A1250 F1254 | R899-D1252 IonicContact CZ-OD1 3.94Å; R899-D1252 IonicContact CZ-OD2 2.66Å; R899-D1252 VanDerWaalsContact CZ-OD2 3.3Å; R899-D1252 IonicContact NH1-OD1 3Å; R899-D1252 IonicContact NH1-OD2 3.9Å; R899-D1252 PolarHBondContact NH1-OD2 2.98Å; R899-D1252 VanDerWaalsContact NH2-CG 3.28Å; R899-D1252 IonicContact NH2-OD1 3.45Å; R899-D1252 PolarHBondContact NH2-OD1 2.84Å; R899-D1252 IonicContact NH2-OD2 2.75Å; R899-D1252 PolarHBondContact NH2-OD2 2.93Å; T1246-D1252 HydrophobicContact CG2-CB 3.97Å; A1250-D1252 PolarHBondContact O-N 3.49Å; A1250-D1252 VanDerWaalsContact O-N 3.13Å; D1252-F1254 PolarHBondContact O-N 2.89Å | ||
| 1253 | V | 82.7 | Confident | 89.1 | Confident | 16 Ų | 16 | 19.4 Ų | 19.4 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -67.9 | -19.7 | 177.8 | -180 | 0 | 0 | 0 | 0 | 112.2 | F663 L842 L843 L938 S942 | F663-V1253 HydrophobicContact CE2-CG2 4.43Å; L842-V1253 WeakPolarHBondContact O-CG2 3.49Å; L843-V1253 HydrophobicContact CD2-CG2 3.98Å; L938-V1253 HydrophobicContact CB-CG1 4.25Å; L938-V1253 HydrophobicContact CD2-CB 4.06Å; L938-V1253 HydrophobicContact CD2-CG1 3.84Å; S942-V1253 WeakPolarHBondContact CA-O 3.36Å; S942-V1253 WeakPolarHBondContact CB-O 3.34Å |
| 1254 | F | 86.7 | Confident | 89.2 | Confident | 6 Ų | 6 | 19.6 Ų | 19.6 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | trans | -136.5 | 162.3 | -176.5 | 51.9 | -100.6 | 0 | 0 | 0 | 111 | M933 W937 L938 A941 L1242 E1243 T1246 D1252 | M933-F1254 HydrophobicContact CE-CE1 3.88Å; M933-F1254 HydrophobicContact CE-CZ 3.99Å; M933-F1254 HydrophobicContact SD-CE1 4.13Å; W937-F1254 AromaticContact CH2-CD1 3.92Å; W937-F1254 HydrophobicContact CH2-CD1 3.92Å; W937-F1254 HydrophobicContact CH2-CE1 4.1Å; W937-F1254 HydrophobicContact CH2-CG 4.22Å; W937-F1254 AromaticContact CZ3-CD1 3.71Å; W937-F1254 HydrophobicContact CZ3-CD1 3.71Å; W937-F1254 AromaticContact CZ3-CE1 3.89Å; W937-F1254 HydrophobicContact CZ3-CE1 3.89Å; W937-F1254 HydrophobicContact CZ3-CG 4.41Å; L938-F1254 HydrophobicContact CD2-CD1 3.91Å; L938-F1254 HydrophobicContact CD2-CE1 4.13Å; A941-F1254 HydrophobicContact CB-CB 3.66Å; A941-F1254 HydrophobicContact CB-CG 4.49Å; L1242-F1254 HydrophobicContact CD2-CZ 4.36Å; L1242-F1254 HydrophobicContact CG-CE2 4.23Å; L1242-F1254 HydrophobicContact CG-CZ 4.1Å; E1243-F1254 HydrophobicContact CB-CD2 4.1Å; E1243-F1254 HydrophobicContact CB-CE2 4.43Å; E1243-F1254 HydrophobicContact CG-CB 4.34Å; E1243-F1254 HydrophobicContact CG-CD2 4.04Å; E1243-F1254 HydrophobicContact CG-CG 4.44Å; T1246-F1254 HydrophobicContact CG2-CD2 4.33Å; T1246-F1254 HydrophobicContact CG2-CE2 4.17Å; D1252-F1254 PolarHBondContact O-N 2.89Å | ||
| 1255 | S | 87.9 | Confident | 89.1 | Confident | 12 Ų | 12 | 19.6 Ų | 19.6 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | trans | -144.6 | 157.7 | 177.9 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | T1246 E1257 | T1246-S1255 WeakPolarHBondContact O-CA 3.32Å; S1255-E1257 PolarHBondContact O-N 2.86Å | ||
| 1256 | L | 91.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.9 | 179.2 | 66.7 | 79 | 0 | 0 | 0 | 114.7 | T1246 A1247 G1258 L1259 E1260 M1313 D1398 C1399 A1402 | T1246-L1256 WeakPolarHBondContact O-CB 3.45Å; T1246-L1256 WeakPolarHBondContact O-CG 3.43Å; T1246-L1256 PolarHBondContact O-N 3.37Å; A1247-L1256 HydrophobicContact CB-CD2 4.22Å; L1256-G1258 VanDerWaalsContact C-N 3.35Å; L1256-G1258 PolarHBondContact O-N 3.19Å; L1256-L1259 CarbonylContact O-C 3.47Å; L1256-L1259 PolarHBondContact O-N 2.77Å; L1256-E1260 HydrophobicContact CD1-CB 4.22Å; L1256-E1260 PolarHBondContact O-N 2.95Å; L1256-M1313 HydrophobicContact CD2-CE 4.22Å; L1256-D1398 HydrophobicContact CD1-CB 3.73Å; L1256-C1399 HydrophobicContact CD2-CB 4.08Å; L1256-A1402 HydrophobicContact CB-CB 3.68Å; L1256-A1402 HydrophobicContact CD1-CB 4.4Å |
| 1257 | E | 87.3 | Confident | 89.1 | Confident | 42 Ų | 42 | 19.7 Ų | 19.7 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.3 | -35.6 | -168 | -59.2 | -178.8 | 170.9 | 0 | 0 | 113.3 | S1248 S1255 I1261 P1525 N1526 | S1248-E1257 WeakPolarHBondContact CB-OE1 3.47Å; S1248-E1257 PolarHBondContact OG-OE1 3.33Å; S1255-E1257 PolarHBondContact O-N 2.86Å; E1257-I1261 WeakPolarHBondContact O-CD1 3.4Å; E1257-I1261 VanDerWaalsContact O-CG1 3.28Å; E1257-I1261 WeakPolarHBondContact O-CG1 3.46Å; E1257-I1261 PolarHBondContact O-N 3.11Å; E1257-P1525 HydrophobicContact CB-CB 3.51Å; E1257-P1525 HydrophobicContact CB-CG 3.76Å; E1257-P1525 VanDerWaalsContact OE2-CG 3.27Å; E1257-P1525 WeakPolarHBondContact OE2-CG 3.35Å; E1257-N1526 PolarHBondContact OE2-ND2 3.24Å |
| 1258 | G | 86.4 | Confident | 89.2 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1256 Y1517 | L1256-G1258 VanDerWaalsContact C-N 3.35Å; L1256-G1258 PolarHBondContact O-N 3.19Å; G1258-Y1517 VanDerWaalsContact O-CE2 3.3Å; G1258-Y1517 WeakPolarHBondContact O-CE2 3.48Å |
| 1259 | L | 91.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -75.6 | -33.8 | 178.6 | -63.4 | 173.6 | 0 | 0 | 0 | 111.9 | E1243 A1244 L1256 L1262 G1263 A1402 L1409 Y1517 | E1243-L1259 HydrophobicContact CB-CD1 4.03Å; E1243-L1259 HydrophobicContact CG-CD1 3.74Å; A1244-L1259 HydrophobicContact CB-CD1 3.95Å; L1256-L1259 CarbonylContact O-C 3.47Å; L1256-L1259 PolarHBondContact O-N 2.77Å; L1259-L1262 PolarHBondContact O-N 3.08Å; L1259-G1263 PolarHBondContact O-N 3.22Å; L1259-A1402 HydrophobicContact CB-CB 3.77Å; L1259-L1409 HydrophobicContact CD2-CD1 3.49Å; L1259-L1409 VanDerWaalsContact CD2-CD1 3.49Å; L1259-Y1517 WeakPolarHBondContact CD2-OH 3.48Å |
| 1260 | E | 93.9 | Very high | 90 | Very high | 36 Ų | 36 | 17.9 Ų | 17.9 | 17% | 0.168 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.3 | -54 | 172.4 | 176.7 | -173.2 | 173.3 | 0 | 0 | 109.9 | L1256 L1262 G1263 D1264 K1394 D1398 E1401 | L1256-E1260 HydrophobicContact CD1-CB 4.22Å; L1256-E1260 PolarHBondContact O-N 2.95Å; E1260-L1262 VanDerWaalsContact C-N 3.31Å; E1260-L1262 PolarHBondContact O-N 2.92Å; E1260-G1263 PolarHBondContact O-N 3.48Å; E1260-G1263 VanDerWaalsContact O-N 3.1Å; E1260-D1264 WeakPolarHBondContact O-CB 3.48Å; E1260-D1264 PolarHBondContact O-N 3.35Å; E1260-K1394 IonicContact OE1-NZ 2.64Å; E1260-K1394 PolarHBondContact OE1-NZ 2.75Å; E1260-D1398 HydrophobicContact CG-CB 4.26Å; E1260-E1401 HydrophobicContact CG-CB 4.4Å |
| 1261 | I | 91.1 | Very high | 90.4 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 7% | 0.067 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | -178.3 | -68.6 | 162.8 | 0 | 0 | 0 | 112.1 | E1257 S1265 T1513 P1525 L1528 T1529 | E1257-I1261 WeakPolarHBondContact O-CD1 3.4Å; E1257-I1261 VanDerWaalsContact O-CG1 3.28Å; E1257-I1261 WeakPolarHBondContact O-CG1 3.46Å; E1257-I1261 PolarHBondContact O-N 3.11Å; I1261-S1265 PolarHBondContact O-N 2.91Å; I1261-S1265 PolarHBondContact O-OG 3.26Å; I1261-T1513 HydrophobicContact CG2-CG2 3.5Å; I1261-P1525 HydrophobicContact CD1-CB 4.08Å; I1261-P1525 VanDerWaalsContact CD1-O 3.31Å; I1261-P1525 WeakPolarHBondContact CD1-O 3.39Å; I1261-L1528 HydrophobicContact CD1-CB 3.97Å; I1261-T1529 VanDerWaalsContact CD1-OG1 3.29Å; I1261-T1529 WeakPolarHBondContact CD1-OG1 3.31Å |
| 1262 | L | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -72.8 | -38.4 | 177.1 | -179.4 | 61.8 | 0 | 0 | 0 | 112.5 | L1259 E1260 S1265 F1266 L1408 L1409 Y1510 R1514 Y1517 | L1259-L1262 PolarHBondContact O-N 3.08Å; E1260-L1262 VanDerWaalsContact C-N 3.31Å; E1260-L1262 PolarHBondContact O-N 2.92Å; L1262-S1265 PolarHBondContact O-OG 3.41Å; L1262-S1265 VanDerWaalsContact O-OG 3.14Å; L1262-F1266 WeakPolarHBondContact O-CB 3.25Å; L1262-F1266 PolarHBondContact O-N 3.08Å; L1262-F1266 VanDerWaalsContact O-N 3.16Å; L1262-L1408 HydrophobicContact CD1-CD2 4.3Å; L1262-L1408 HydrophobicContact CD2-CD2 4.45Å; L1262-L1408 HydrophobicContact CG-CD2 4.17Å; L1262-L1409 HydrophobicContact CD2-CD1 3.72Å; L1262-L1409 HydrophobicContact CD2-CD2 3.67Å; L1262-L1409 HydrophobicContact CD2-CG 3.55Å; L1262-Y1510 HydrophobicContact CD1-CE2 3.98Å; L1262-R1514 HydrophobicContact CD1-CB 4.36Å; L1262-Y1517 HydrophobicContact CB-CD2 4.42Å; L1262-Y1517 HydrophobicContact CD2-CD1 4.16Å; L1262-Y1517 HydrophobicContact CD2-CE1 4.31Å; L1262-Y1517 HydrophobicContact CD2-CG 4.35Å |
| 1263 | G | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68 | -45.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1259 E1260 F1266 L1267 E1401 | L1259-G1263 PolarHBondContact O-N 3.22Å; E1260-G1263 PolarHBondContact O-N 3.48Å; E1260-G1263 VanDerWaalsContact O-N 3.1Å; G1263-F1266 PolarHBondContact O-N 3.2Å; G1263-L1267 WeakPolarHBondContact O-CB 3.16Å; G1263-L1267 PolarHBondContact O-N 3.17Å; G1263-E1401 WeakPolarHBondContact CA-O 3.4Å |
| 1264 | D | 94 | Very high | 91.4 | Very high | 16 Ų | 16 | 11.7 Ų | 11.7 | 9% | 0.086 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.8 | -53.4 | 175.3 | 163.9 | 48.3 | 0 | 0 | 0 | 111.5 | E1260 F1266 L1267 K1268 R1532 | E1260-D1264 WeakPolarHBondContact O-CB 3.48Å; E1260-D1264 PolarHBondContact O-N 3.35Å; D1264-F1266 VanDerWaalsContact C-N 3.35Å; D1264-F1266 PolarHBondContact O-N 3.36Å; D1264-L1267 PolarHBondContact O-N 3.43Å; D1264-K1268 WeakPolarHBondContact O-CB 3.15Å; D1264-K1268 WeakPolarHBondContact O-CG 3.41Å; D1264-K1268 PolarHBondContact O-N 3.22Å; D1264-K1268 VanDerWaalsContact OD1-CD 3.27Å; D1264-K1268 WeakPolarHBondContact OD1-CD 3.46Å; D1264-K1268 WeakPolarHBondContact OD1-CE 3.35Å; D1264-K1268 IonicContact OD1-NZ 3.04Å; D1264-K1268 PolarHBondContact OD1-NZ 2.91Å; D1264-K1268 IonicContact OD2-NZ 2.72Å; D1264-K1268 PolarHBondContact OD2-NZ 3.35Å; D1264-R1532 IonicContact OD2-CZ 2.71Å; D1264-R1532 IonicContact OD2-NH1 2.72Å; D1264-R1532 PolarHBondContact OD2-NH1 2.82Å; D1264-R1532 IonicContact OD2-NH2 2.7Å; D1264-R1532 PolarHBondContact OD2-NH2 3.03Å |
| 1265 | S | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | -179.7 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | I1261 L1262 Y1269 T1513 | I1261-S1265 PolarHBondContact O-N 2.91Å; I1261-S1265 PolarHBondContact O-OG 3.26Å; L1262-S1265 PolarHBondContact O-OG 3.41Å; L1262-S1265 VanDerWaalsContact O-OG 3.14Å; S1265-Y1269 WeakPolarHBondContact O-CB 3.41Å; S1265-Y1269 PolarHBondContact O-N 2.92Å; S1265-T1513 WeakPolarHBondContact OG-CG2 3.35Å |
| 1266 | F | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 174.2 | -177 | -114 | 0 | 0 | 0 | 113.4 | L1262 G1263 D1264 Y1269 L1270 I1404 L1408 T1413 A1416 I1420 Y1510 | L1262-F1266 WeakPolarHBondContact O-CB 3.25Å; L1262-F1266 PolarHBondContact O-N 3.08Å; L1262-F1266 VanDerWaalsContact O-N 3.16Å; G1263-F1266 PolarHBondContact O-N 3.2Å; D1264-F1266 VanDerWaalsContact C-N 3.35Å; D1264-F1266 PolarHBondContact O-N 3.36Å; F1266-Y1269 AromaticContact CD2-CD1 3.99Å; F1266-Y1269 HydrophobicContact CD2-CD1 3.99Å; F1266-Y1269 HydrophobicContact CE2-CD1 4.11Å; F1266-Y1269 HydrophobicContact CE2-CE1 4.25Å; F1266-Y1269 WeakPolarHBondContact O-CB 3.36Å; F1266-Y1269 PolarHBondContact O-N 2.67Å; F1266-L1270 HydrophobicContact CD1-CD1 4Å; F1266-L1270 HydrophobicContact CE1-CD1 3.38Å; F1266-L1270 HydrophobicContact CE1-CG 4.19Å; F1266-L1270 HydrophobicContact CE2-CD1 4.22Å; F1266-L1270 HydrophobicContact CE2-CG 4.2Å; F1266-L1270 HydrophobicContact CZ-CD1 3.51Å; F1266-L1270 HydrophobicContact CZ-CD2 4.32Å; F1266-L1270 HydrophobicContact CZ-CG 3.98Å; F1266-L1270 PolarHBondContact O-N 3.19Å; F1266-I1404 HydrophobicContact CD1-CG2 3.79Å; F1266-I1404 HydrophobicContact CE1-CG2 4.47Å; F1266-L1408 HydrophobicContact CB-CD2 3.82Å; F1266-L1408 HydrophobicContact CD1-CD1 4.27Å; F1266-L1408 HydrophobicContact CD1-CD2 3.93Å; F1266-L1408 HydrophobicContact CD2-CD1 4.12Å; F1266-L1408 HydrophobicContact CD2-CD2 3.84Å; F1266-L1408 HydrophobicContact CE1-CD1 3.94Å; F1266-L1408 HydrophobicContact CE1-CD2 4.45Å; F1266-L1408 HydrophobicContact CE2-CD1 3.8Å; F1266-L1408 HydrophobicContact CE2-CD2 4.38Å; F1266-L1408 HydrophobicContact CG-CD1 4.35Å; F1266-L1408 HydrophobicContact CG-CD2 3.59Å; F1266-L1408 HydrophobicContact CZ-CD1 3.7Å; F1266-T1413 HydrophobicContact CE2-CG2 3.98Å; F1266-T1413 HydrophobicContact CZ-CG2 3.77Å; F1266-A1416 HydrophobicContact CE1-CB 3.78Å; F1266-A1416 HydrophobicContact CZ-CB 4.34Å; F1266-I1420 HydrophobicContact CD1-CD1 4.17Å; F1266-I1420 HydrophobicContact CE1-CD1 3.94Å; F1266-Y1510 HydrophobicContact CB-CD2 3.86Å; F1266-Y1510 HydrophobicContact CB-CE2 3.74Å; F1266-Y1510 HydrophobicContact CD2-CD2 4.23Å; F1266-Y1510 HydrophobicContact CD2-CE1 4.22Å; F1266-Y1510 AromaticContact CD2-CE2 3.74Å; F1266-Y1510 HydrophobicContact CD2-CE2 3.74Å; F1266-Y1510 AromaticContact CD2-CZ 3.75Å; F1266-Y1510 HydrophobicContact CG-CE2 4.17Å |
| 1267 | L | 94.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 176.6 | 176.7 | 61.5 | 0 | 0 | 0 | 111.2 | G1263 D1264 Y1269 L1270 V1271 V1295 L1300 E1401 I1404 I1420 V1425 | G1263-L1267 WeakPolarHBondContact O-CB 3.16Å; G1263-L1267 PolarHBondContact O-N 3.17Å; D1264-L1267 PolarHBondContact O-N 3.43Å; L1267-Y1269 VanDerWaalsContact C-N 3.35Å; L1267-Y1269 PolarHBondContact O-N 3.36Å; L1267-L1270 PolarHBondContact O-N 3.41Å; L1267-V1271 HydrophobicContact CD1-CG2 3.99Å; L1267-V1271 WeakPolarHBondContact O-CB 3.21Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.15Å; L1267-V1271 PolarHBondContact O-N 3Å; L1267-V1295 HydrophobicContact CD2-CG1 4.11Å; L1267-V1295 HydrophobicContact CG-CG1 4.34Å; L1267-V1295 HydrophobicContact CG-CG2 4.3Å; L1267-L1300 HydrophobicContact CD2-CD1 3.98Å; L1267-L1300 HydrophobicContact CD2-CD2 3.9Å; L1267-E1401 HydrophobicContact CD2-CG 4.43Å; L1267-I1404 HydrophobicContact CB-CD1 4.41Å; L1267-I1404 HydrophobicContact CD1-CD1 4.28Å; L1267-I1404 HydrophobicContact CD2-CD1 4.04Å; L1267-I1404 HydrophobicContact CG-CD1 4.48Å; L1267-I1420 HydrophobicContact CD1-CG2 4.12Å; L1267-V1425 HydrophobicContact CD1-CG1 4.1Å |
| 1268 | K | 93 | Very high | 91.1 | Very high | 63 Ų | 63 | 14.8 Ų | 14.8 | 27% | 0.274 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -55.8 | -48.3 | 171.4 | -78.2 | 170.5 | 173.4 | 149.7 | 0 | 111.2 | D1264 T1272 V1295 | D1264-K1268 WeakPolarHBondContact O-CB 3.15Å; D1264-K1268 WeakPolarHBondContact O-CG 3.41Å; D1264-K1268 PolarHBondContact O-N 3.22Å; D1264-K1268 VanDerWaalsContact OD1-CD 3.27Å; D1264-K1268 WeakPolarHBondContact OD1-CD 3.46Å; D1264-K1268 WeakPolarHBondContact OD1-CE 3.35Å; D1264-K1268 IonicContact OD1-NZ 3.04Å; D1264-K1268 PolarHBondContact OD1-NZ 2.91Å; D1264-K1268 IonicContact OD2-NZ 2.72Å; D1264-K1268 PolarHBondContact OD2-NZ 3.35Å; K1268-T1272 WeakPolarHBondContact O-CB 3.5Å; K1268-T1272 PolarHBondContact O-N 3.43Å; K1268-T1272 PolarHBondContact O-OG1 2.69Å; K1268-V1295 HydrophobicContact CG-CG1 4.02Å |
| 1269 | Y | 93.4 | Very high | 91 | Very high | 20 Ų | 20 | 19.5 Ų | 19.5 | 8% | 0.078 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.9 | -55.6 | 175.5 | 160.4 | -108.9 | 0 | 0 | 0 | 112.1 | S1265 F1266 L1267 V1271 T1272 V1273 V1507 Y1510 Y1617 L1624 | S1265-Y1269 WeakPolarHBondContact O-CB 3.41Å; S1265-Y1269 PolarHBondContact O-N 2.92Å; F1266-Y1269 AromaticContact CD2-CD1 3.99Å; F1266-Y1269 HydrophobicContact CD2-CD1 3.99Å; F1266-Y1269 HydrophobicContact CE2-CD1 4.11Å; F1266-Y1269 HydrophobicContact CE2-CE1 4.25Å; F1266-Y1269 WeakPolarHBondContact O-CB 3.36Å; F1266-Y1269 PolarHBondContact O-N 2.67Å; L1267-Y1269 VanDerWaalsContact C-N 3.35Å; L1267-Y1269 PolarHBondContact O-N 3.36Å; Y1269-V1271 PolarHBondContact O-N 3.04Å; Y1269-T1272 WeakPolarHBondContact O-CB 3.36Å; Y1269-T1272 PolarHBondContact O-N 3.18Å; Y1269-V1273 HydrophobicContact CD2-CG2 3.92Å; Y1269-V1273 HydrophobicContact CE2-CG2 3.63Å; Y1269-V1273 WeakPolarHBondContact O-CG2 3.47Å; Y1269-V1273 PolarHBondContact O-N 2.84Å; Y1269-V1507 HydrophobicContact CD2-CG2 3.88Å; Y1269-V1507 HydrophobicContact CE2-CG2 3.94Å; Y1269-Y1510 HydrophobicContact CD1-CD1 4.42Å; Y1269-Y1510 HydrophobicContact CG-CD1 4.5Å; Y1269-Y1617 HydrophobicContact CE2-CE2 4.03Å; Y1269-Y1617 AromaticContact CE2-CZ 3.9Å; Y1269-Y1617 PolarHBondContact OH-OH 3.23Å; Y1269-L1624 HydrophobicContact CE1-CD1 4.28Å; Y1269-L1624 HydrophobicContact CE2-CD2 3.9Å |
| 1270 | L | 91.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | -177.8 | -73.7 | 177.9 | 0 | 0 | 0 | 113.3 | F1266 L1267 T1272 V1273 Y1274 I1417 I1420 V1427 L1434 | F1266-L1270 HydrophobicContact CD1-CD1 4Å; F1266-L1270 HydrophobicContact CE1-CD1 3.38Å; F1266-L1270 HydrophobicContact CE1-CG 4.19Å; F1266-L1270 HydrophobicContact CE2-CD1 4.22Å; F1266-L1270 HydrophobicContact CE2-CG 4.2Å; F1266-L1270 HydrophobicContact CZ-CD1 3.51Å; F1266-L1270 HydrophobicContact CZ-CD2 4.32Å; F1266-L1270 HydrophobicContact CZ-CG 3.98Å; F1266-L1270 PolarHBondContact O-N 3.19Å; L1267-L1270 PolarHBondContact O-N 3.41Å; L1270-T1272 VanDerWaalsContact C-N 3.31Å; L1270-T1272 PolarHBondContact O-N 3.38Å; L1270-V1273 PolarHBondContact O-N 3.21Å; L1270-Y1274 WeakPolarHBondContact O-CB 3.28Å; L1270-Y1274 PolarHBondContact O-N 3.18Å; L1270-I1417 HydrophobicContact CD1-CG1 3.73Å; L1270-I1417 HydrophobicContact CD2-CD1 4.28Å; L1270-I1417 HydrophobicContact CD2-CG1 4.11Å; L1270-I1420 HydrophobicContact CD1-CD1 3.47Å; L1270-I1420 VanDerWaalsContact CD1-CD1 3.47Å; L1270-V1427 HydrophobicContact CB-CB 4.36Å; L1270-V1427 HydrophobicContact CB-CG1 3.84Å; L1270-L1434 HydrophobicContact CD2-CD1 3.79Å; L1270-L1434 HydrophobicContact CD2-CD2 4.21Å |
| 1271 | V | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.7 | -35 | 178.4 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L1267 Y1269 Y1275 R1291 Q1294 V1295 V1425 V1427 | L1267-V1271 HydrophobicContact CD1-CG2 3.99Å; L1267-V1271 WeakPolarHBondContact O-CB 3.21Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.15Å; L1267-V1271 PolarHBondContact O-N 3Å; Y1269-V1271 PolarHBondContact O-N 3.04Å; V1271-Y1275 HydrophobicContact CG1-CD2 3.65Å; V1271-Y1275 HydrophobicContact CG1-CE2 3.59Å; V1271-Y1275 VanDerWaalsContact O-CD2 3.31Å; V1271-Y1275 WeakPolarHBondContact O-CD2 3.43Å; V1271-Y1275 PolarHBondContact O-N 3.38Å; V1271-Y1275 VanDerWaalsContact O-N 3.09Å; V1271-R1291 HydrophobicContact CG1-CB 4.44Å; V1271-R1291 HydrophobicContact CG1-CG 4.28Å; V1271-Q1294 HydrophobicContact CG1-CB 4.08Å; V1271-V1295 HydrophobicContact CB-CG2 4.17Å; V1271-V1295 HydrophobicContact CG1-CG2 4.18Å; V1271-V1295 HydrophobicContact CG2-CG2 4.14Å; V1271-V1425 HydrophobicContact CG2-CG1 4.08Å; V1271-V1427 HydrophobicContact CG2-CG1 4.01Å |
| 1272 | T | 92.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.4 | -52.1 | 173.6 | -61.5 | 0 | 0 | 0 | 0 | 111 | K1268 Y1269 L1270 Y1274 Y1275 F1276 R1291 F1502 L1503 A1506 | K1268-T1272 WeakPolarHBondContact O-CB 3.5Å; K1268-T1272 PolarHBondContact O-N 3.43Å; K1268-T1272 PolarHBondContact O-OG1 2.69Å; Y1269-T1272 WeakPolarHBondContact O-CB 3.36Å; Y1269-T1272 PolarHBondContact O-N 3.18Å; L1270-T1272 VanDerWaalsContact C-N 3.31Å; L1270-T1272 PolarHBondContact O-N 3.38Å; T1272-Y1274 PolarHBondContact O-N 3.42Å; T1272-Y1275 PolarHBondContact O-N 3.35Å; T1272-F1276 VanDerWaalsContact O-CB 3.23Å; T1272-F1276 WeakPolarHBondContact O-CB 3.44Å; T1272-F1276 PolarHBondContact O-N 2.86Å; T1272-R1291 WeakPolarHBondContact OG1-CD 3.32Å; T1272-R1291 PolarHBondContact OG1-NH1 3.08Å; T1272-F1502 HydrophobicContact CG2-CD1 3.8Å; T1272-F1502 HydrophobicContact CG2-CE1 3.48Å; T1272-F1502 VanDerWaalsContact CG2-CE1 3.48Å; T1272-F1502 HydrophobicContact CG2-CE2 4.42Å; T1272-F1502 HydrophobicContact CG2-CG 4.4Å; T1272-F1502 HydrophobicContact CG2-CZ 3.82Å; T1272-F1502 WeakPolarHBondContact CG2-O 3.4Å; T1272-L1503 HydrophobicContact CG2-CD1 4.22Å; T1272-A1506 HydrophobicContact CG2-CB 3.89Å; T1272-A1506 WeakPolarHBondContact OG1-CB 3.33Å |
| 1273 | V | 89.9 | Confident | 88.4 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 179.1 | 176.8 | 0 | 0 | 0 | 0 | 111 | Y1269 L1270 Y1275 F1276 K1277 L1434 L1503 Y1617 | Y1269-V1273 HydrophobicContact CD2-CG2 3.92Å; Y1269-V1273 HydrophobicContact CE2-CG2 3.63Å; Y1269-V1273 WeakPolarHBondContact O-CG2 3.47Å; Y1269-V1273 PolarHBondContact O-N 2.84Å; L1270-V1273 PolarHBondContact O-N 3.21Å; V1273-Y1275 PolarHBondContact O-N 3.48Å; V1273-F1276 PolarHBondContact O-N 2.96Å; V1273-K1277 WeakPolarHBondContact O-CG 3.29Å; V1273-K1277 PolarHBondContact O-N 3.2Å; V1273-L1434 HydrophobicContact CB-CD2 4.19Å; V1273-L1434 HydrophobicContact CG1-CD2 3.75Å; V1273-L1503 HydrophobicContact CG2-CD1 3.9Å; V1273-Y1617 HydrophobicContact CG2-CE1 4.25Å |
| 1274 | Y | 89.7 | Confident | 87.8 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 8% | 0.078 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.7 | -53.6 | 177.2 | 173.6 | -105.1 | 0 | 0 | 0 | 111.7 | L1270 T1272 K1277 Q1278 K1426 V1427 | L1270-Y1274 WeakPolarHBondContact O-CB 3.28Å; L1270-Y1274 PolarHBondContact O-N 3.18Å; T1272-Y1274 PolarHBondContact O-N 3.42Å; Y1274-K1277 PolarHBondContact O-N 3.31Å; Y1274-Q1278 WeakPolarHBondContact O-CB 3.21Å; Y1274-Q1278 PolarHBondContact O-N 2.82Å; Y1274-K1426 VanDerWaalsContact CD1-O 3.28Å; Y1274-K1426 WeakPolarHBondContact CD1-O 3.47Å; Y1274-K1426 HydrophobicContact CE1-CB 4.01Å; Y1274-V1427 VanDerWaalsContact CD2-C 3.49Å; Y1274-V1427 WeakPolarHBondContact CD2-O 3.45Å |
| 1275 | Y | 88.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 28.1 Ų | 28.1 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.3 | -35.1 | -179.2 | -75.9 | -49.6 | 0 | 0 | 0 | 113.4 | V1271 T1272 V1273 K1277 Q1278 Y1279 L1287 L1290 Q1294 | V1271-Y1275 HydrophobicContact CG1-CD2 3.65Å; V1271-Y1275 HydrophobicContact CG1-CE2 3.59Å; V1271-Y1275 VanDerWaalsContact O-CD2 3.31Å; V1271-Y1275 WeakPolarHBondContact O-CD2 3.43Å; V1271-Y1275 PolarHBondContact O-N 3.38Å; V1271-Y1275 VanDerWaalsContact O-N 3.09Å; T1272-Y1275 PolarHBondContact O-N 3.35Å; V1273-Y1275 PolarHBondContact O-N 3.48Å; Y1275-K1277 PolarHBondContact O-N 3.23Å; Y1275-Q1278 PolarHBondContact O-N 3.3Å; Y1275-Y1279 AromaticContact CD1-CD2 3.98Å; Y1275-Y1279 HydrophobicContact CD1-CD2 3.98Å; Y1275-Y1279 AromaticContact CD1-CE2 3.76Å; Y1275-Y1279 HydrophobicContact CD1-CE2 3.76Å; Y1275-Y1279 HydrophobicContact CE1-CE2 4.12Å; Y1275-Y1279 PolarHBondContact O-N 3.34Å; Y1275-Y1279 VanDerWaalsContact O-N 3.11Å; Y1275-L1287 WeakPolarHBondContact O-CD2 3.46Å; Y1275-L1290 HydrophobicContact CD1-CB 4.32Å; Y1275-L1290 HydrophobicContact CD1-CD1 4.01Å; Y1275-L1290 HydrophobicContact CD2-CB 3.93Å; Y1275-L1290 HydrophobicContact CE1-CB 4.08Å; Y1275-L1290 HydrophobicContact CE1-CD1 3.92Å; Y1275-L1290 VanDerWaalsContact CE2-C 3.47Å; Y1275-L1290 HydrophobicContact CE2-CB 3.66Å; Y1275-L1290 WeakPolarHBondContact CE2-O 3.35Å; Y1275-L1290 HydrophobicContact CG-CB 4.25Å; Y1275-Q1294 HydrophobicContact CE2-CG 4.26Å; Y1275-Q1294 WeakPolarHBondContact OH-CG 3.32Å; Y1275-Q1294 PolarHBondContact OH-NE2 3.17Å; Y1275-Q1294 VanDerWaalsContact OH-NE2 3.09Å |
| 1276 | F | 89.1 | Confident | 86.1 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.035 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 175.9 | 178.4 | -88.6 | 0 | 0 | 0 | 112.2 | T1272 V1273 V1438 R1499 L1500 L1503 L1618 | T1272-F1276 VanDerWaalsContact O-CB 3.23Å; T1272-F1276 WeakPolarHBondContact O-CB 3.44Å; T1272-F1276 PolarHBondContact O-N 2.86Å; V1273-F1276 PolarHBondContact O-N 2.96Å; F1276-V1438 HydrophobicContact CE1-CG1 4.15Å; F1276-R1499 HydrophobicContact CD2-CB 4.49Å; F1276-R1499 WeakPolarHBondContact CD2-O 3.23Å; F1276-R1499 HydrophobicContact CE2-CB 3.93Å; F1276-R1499 WeakPolarHBondContact CE2-O 3.42Å; F1276-R1499 PolarHBondContact O-NH2 3.27Å; F1276-L1500 HydrophobicContact CE2-CD2 4.32Å; F1276-L1500 HydrophobicContact CZ-CD2 4.06Å; F1276-L1503 HydrophobicContact CD1-CD2 4.1Å; F1276-L1503 HydrophobicContact CD2-CB 4.24Å; F1276-L1503 HydrophobicContact CD2-CD2 4.35Å; F1276-L1503 HydrophobicContact CE1-CD2 3.94Å; F1276-L1503 HydrophobicContact CE2-CB 4.42Å; F1276-L1503 HydrophobicContact CE2-CD2 4.19Å; F1276-L1503 HydrophobicContact CG-CD2 4.31Å; F1276-L1503 HydrophobicContact CZ-CD2 4Å; F1276-L1618 HydrophobicContact CE1-CD1 3.77Å; F1276-L1618 HydrophobicContact CE1-CD2 4.03Å; F1276-L1618 HydrophobicContact CZ-CD1 3.68Å |
| 1277 | K | 86.2 | Confident | 85.7 | Confident | 26 Ų | 26 | 30.8 Ų | 30.8 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.6 | -45.5 | 174.7 | -69.9 | -162.7 | -174.4 | -167.2 | 0 | 112.9 | V1273 Y1274 Y1275 Y1279 D1433 L1434 S1436 V1438 | V1273-K1277 WeakPolarHBondContact O-CG 3.29Å; V1273-K1277 PolarHBondContact O-N 3.2Å; Y1274-K1277 PolarHBondContact O-N 3.31Å; Y1275-K1277 PolarHBondContact O-N 3.23Å; K1277-Y1279 VanDerWaalsContact C-N 3.26Å; K1277-Y1279 PolarHBondContact O-N 2.86Å; K1277-D1433 PolarHBondContact NZ-O 3.4Å; K1277-L1434 PolarHBondContact NZ-O 2.97Å; K1277-S1436 PolarHBondContact NZ-O 2.76Å; K1277-S1436 PolarHBondContact NZ-OG 3.01Å; K1277-V1438 HydrophobicContact CD-CG2 4.25Å; K1277-V1438 HydrophobicContact CG-CG2 4.08Å |
| 1278 | Q | 84.4 | Confident | 85.1 | Confident | 70 Ų | 70 | 32 Ų | 32 | 33% | 0.327 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.6 | -27 | -174.8 | -175.1 | 61.5 | 65.6 | 0 | 0 | 113.1 | Y1274 Y1275 | Y1274-Q1278 WeakPolarHBondContact O-CB 3.21Å; Y1274-Q1278 PolarHBondContact O-N 2.82Å; Y1275-Q1278 PolarHBondContact O-N 3.3Å |
| 1279 | Y | 83.8 | Confident | 84.3 | Confident | 102 Ų | 102 | 29.8 Ų | 29.8 | 40% | 0.4 | 15% | 0.151 | S | C | . | . | trans | -129.7 | 72.1 | -177.3 | -61.2 | -74 | 0 | 0 | 0 | 112.3 | Y1275 K1277 N1281 M1282 L1290 R1499 | Y1275-Y1279 AromaticContact CD1-CD2 3.98Å; Y1275-Y1279 HydrophobicContact CD1-CD2 3.98Å; Y1275-Y1279 AromaticContact CD1-CE2 3.76Å; Y1275-Y1279 HydrophobicContact CD1-CE2 3.76Å; Y1275-Y1279 HydrophobicContact CE1-CE2 4.12Å; Y1275-Y1279 PolarHBondContact O-N 3.34Å; Y1275-Y1279 VanDerWaalsContact O-N 3.11Å; K1277-Y1279 VanDerWaalsContact C-N 3.26Å; K1277-Y1279 PolarHBondContact O-N 2.86Å; Y1279-N1281 PolarHBondContact O-N 2.75Å; Y1279-N1281 VanDerWaalsContact O-N 3.14Å; Y1279-M1282 HydrophobicContact CD1-CE 4.27Å; Y1279-M1282 HydrophobicContact CD2-CE 3.62Å; Y1279-M1282 HydrophobicContact CE2-CE 4.32Å; Y1279-M1282 HydrophobicContact CG-CE 3.59Å; Y1279-M1282 HydrophobicContact CG-SD 4.5Å; Y1279-M1282 PolarHBondContact O-N 3.19Å; Y1279-M1282 VanDerWaalsContact O-N 3.15Å; Y1279-L1290 HydrophobicContact CD2-CD1 4.32Å; Y1279-L1290 HydrophobicContact CE2-CD1 4Å; Y1279-R1499 PolarHBondContact O-NH2 3.04Å | ||
| 1280 | P | 81 | Confident | 83.8 | Confident | 46 Ų | 46 | 31.2 Ų | 31.2 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.5 | -171.1 | 25.1 | -34.8 | 0 | 0 | 0 | 114.8 | R1499 | P1280-R1499 PolarHBondContact O-NH1 2.68Å; P1280-R1499 PolarHBondContact O-NH2 3.04Å |
| 1281 | N | 75.8 | Confident | 83.7 | Confident | 90 Ų | 90 | 33.3 Ų | 33.3 | 48% | 0.481 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.1 | 179.1 | -68.9 | -40 | 0 | 0 | 0 | 114.2 | P519 Y1279 | P519-N1281 HydrophobicContact CB-CB 4.24Å; Y1279-N1281 PolarHBondContact O-N 2.75Å; Y1279-N1281 VanDerWaalsContact O-N 3.14Å |
| 1282 | M | 78.9 | Confident | 83.2 | Confident | 38 Ų | 38 | 35 Ų | 35 | 19% | 0.187 | 18% | 0.184 | C | C | . | . | trans | -90 | 139.3 | -175.7 | -173.2 | 158.6 | 69.5 | 0 | 0 | 112.4 | Y1279 N1286 L1287 L1290 R1499 | Y1279-M1282 HydrophobicContact CD1-CE 4.27Å; Y1279-M1282 HydrophobicContact CD2-CE 3.62Å; Y1279-M1282 HydrophobicContact CE2-CE 4.32Å; Y1279-M1282 HydrophobicContact CG-CE 3.59Å; Y1279-M1282 HydrophobicContact CG-SD 4.5Å; Y1279-M1282 PolarHBondContact O-N 3.19Å; Y1279-M1282 VanDerWaalsContact O-N 3.15Å; M1282-N1286 HydrophobicContact CE-CB 4.43Å; M1282-N1286 HydrophobicContact CG-CB 3.62Å; M1282-N1286 HydrophobicContact SD-CB 3.66Å; M1282-L1287 HydrophobicContact CE-CD2 3.51Å; M1282-L1287 HydrophobicContact CE-CG 3.99Å; M1282-L1287 HydrophobicContact CG-CG 4.4Å; M1282-L1287 WeakPolarHBondContact O-CD1 3.3Å; M1282-L1290 HydrophobicContact CE-CD1 3.48Å; M1282-L1290 VanDerWaalsContact CE-CD1 3.48Å; M1282-L1290 HydrophobicContact CE-CG 4.49Å; M1282-R1499 WeakPolarHBondContact O-CD 3.3Å; M1282-R1499 PolarHBondContact O-NE 2.92Å | ||
| 1283 | H | 77.6 | Confident | 82.7 | Confident | 22 Ų | 22 | 40 Ų | 40 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | trans | -66.8 | 147.5 | 179.3 | -164.5 | -71.9 | 0 | 0 | 0 | 112.8 | P483 N517 G1285 N1286 L1287 Q1498 | P483-H1283 HydrophobicContact CG-CB 4.37Å; N517-H1283 PolarHBondContact ND2-NE2 3.32Å; H1283-G1285 PolarHBondContact ND1-N 3.27Å; H1283-G1285 VanDerWaalsContact ND1-N 3.2Å; H1283-G1285 PolarHBondContact O-N 3.11Å; H1283-N1286 PolarHBondContact O-N 2.93Å; H1283-N1286 VanDerWaalsContact O-N 3.09Å; H1283-L1287 PolarHBondContact O-N 2.85Å; H1283-Q1498 PolarHBondContact NE2-OE1 3.36Å | ||
| 1284 | E | 82.3 | Confident | 82.4 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 17% | 0.168 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -36.4 | -64.4 | 169.9 | 165.2 | -73.5 | 123.3 | 0 | 0 | 112.1 | N1286 L1287 S1288 Q1498 F1502 | E1284-N1286 CarbonylContact O-C 3.44Å; E1284-N1286 PolarHBondContact O-N 3.43Å; E1284-L1287 CarbonylContact O-C 3.6Å; E1284-L1287 WeakPolarHBondContact O-CA 3.49Å; E1284-L1287 VanDerWaalsContact O-CB 3.29Å; E1284-L1287 WeakPolarHBondContact O-CB 3.36Å; E1284-L1287 PolarHBondContact O-N 2.98Å; E1284-S1288 PolarHBondContact O-N 3.39Å; E1284-S1288 PolarHBondContact O-OG 3.19Å; E1284-S1288 VanDerWaalsContact O-OG 3.13Å; E1284-S1288 PolarHBondContact OE1-OG 3.48Å; E1284-Q1498 HydrophobicContact CB-CB 4.14Å; E1284-F1502 HydrophobicContact CG-CB 4.2Å |
| 1285 | G | 74.5 | Confident | 82.3 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.5 | -20.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | H1283 V1289 | H1283-G1285 PolarHBondContact ND1-N 3.27Å; H1283-G1285 VanDerWaalsContact ND1-N 3.2Å; H1283-G1285 PolarHBondContact O-N 3.11Å; G1285-V1289 WeakPolarHBondContact O-CG2 3.22Å; G1285-V1289 PolarHBondContact O-N 3.4Å |
| 1286 | N | 76.9 | Confident | 82.2 | Confident | 57 Ų | 57 | 41.3 Ų | 41.3 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -83.6 | -40.3 | 171.5 | -66.3 | 5.1 | 0 | 0 | 0 | 111 | L565 M1282 H1283 E1284 V1289 L1290 | L565-N1286 VanDerWaalsContact CD1-OD1 3.25Å; L565-N1286 WeakPolarHBondContact CD1-OD1 3.35Å; M1282-N1286 HydrophobicContact CE-CB 4.43Å; M1282-N1286 HydrophobicContact CG-CB 3.62Å; M1282-N1286 HydrophobicContact SD-CB 3.66Å; H1283-N1286 PolarHBondContact O-N 2.93Å; H1283-N1286 VanDerWaalsContact O-N 3.09Å; E1284-N1286 CarbonylContact O-C 3.44Å; E1284-N1286 PolarHBondContact O-N 3.43Å; N1286-V1289 PolarHBondContact O-N 2.96Å; N1286-L1290 WeakPolarHBondContact O-CG 3.24Å; N1286-L1290 PolarHBondContact O-N 2.81Å; N1286-L1290 VanDerWaalsContact O-N 3.07Å |
| 1287 | L | 84.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 171.8 | -63.8 | 163.3 | 0 | 0 | 0 | 111.2 | Y1275 M1282 H1283 E1284 V1289 L1290 R1291 F1502 | Y1275-L1287 WeakPolarHBondContact O-CD2 3.46Å; M1282-L1287 HydrophobicContact CE-CD2 3.51Å; M1282-L1287 HydrophobicContact CE-CG 3.99Å; M1282-L1287 HydrophobicContact CG-CG 4.4Å; M1282-L1287 WeakPolarHBondContact O-CD1 3.3Å; H1283-L1287 PolarHBondContact O-N 2.85Å; E1284-L1287 CarbonylContact O-C 3.6Å; E1284-L1287 WeakPolarHBondContact O-CA 3.49Å; E1284-L1287 VanDerWaalsContact O-CB 3.29Å; E1284-L1287 WeakPolarHBondContact O-CB 3.36Å; E1284-L1287 PolarHBondContact O-N 2.98Å; L1287-V1289 VanDerWaalsContact C-N 3.34Å; L1287-V1289 PolarHBondContact O-N 2.97Å; L1287-L1290 PolarHBondContact O-N 3.39Å; L1287-R1291 WeakPolarHBondContact O-CB 3.44Å; L1287-R1291 PolarHBondContact O-N 3.27Å; L1287-F1502 HydrophobicContact CB-CD1 4.11Å; L1287-F1502 HydrophobicContact CB-CD2 4.35Å; L1287-F1502 HydrophobicContact CB-CE1 3.68Å; L1287-F1502 HydrophobicContact CB-CE2 3.95Å; L1287-F1502 HydrophobicContact CB-CG 4.43Å; L1287-F1502 HydrophobicContact CB-CZ 3.6Å; L1287-F1502 HydrophobicContact CD1-CD1 4.05Å; L1287-F1502 HydrophobicContact CD1-CE1 4.15Å; L1287-F1502 HydrophobicContact CG-CE1 4.35Å |
| 1288 | S | 81.7 | Confident | 82 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -41.2 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | E1284 G1292 | E1284-S1288 PolarHBondContact O-N 3.39Å; E1284-S1288 PolarHBondContact O-OG 3.19Å; E1284-S1288 VanDerWaalsContact O-OG 3.13Å; E1284-S1288 PolarHBondContact OE1-OG 3.48Å; S1288-G1292 PolarHBondContact O-N 3.33Å |
| 1289 | V | 76.9 | Confident | 82.2 | Confident | 17 Ų | 17 | 42 Ų | 42 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.7 | -39.3 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 112.4 | L565 I568 L569 G1285 N1286 L1287 G1292 R1293 | L565-V1289 HydrophobicContact CD2-CB 4.23Å; L565-V1289 HydrophobicContact CD2-CG1 3.89Å; L565-V1289 HydrophobicContact CD2-CG2 4.19Å; I568-V1289 HydrophobicContact CG2-CG1 4.4Å; L569-V1289 HydrophobicContact CD1-CG2 3.77Å; L569-V1289 HydrophobicContact CD2-CG2 3.82Å; L569-V1289 HydrophobicContact CG-CG2 3.62Å; G1285-V1289 WeakPolarHBondContact O-CG2 3.22Å; G1285-V1289 PolarHBondContact O-N 3.4Å; N1286-V1289 PolarHBondContact O-N 2.96Å; L1287-V1289 VanDerWaalsContact C-N 3.34Å; L1287-V1289 PolarHBondContact O-N 2.97Å; V1289-G1292 PolarHBondContact O-N 3.48Å; V1289-R1293 WeakPolarHBondContact O-CB 3.44Å; V1289-R1293 PolarHBondContact O-N 3.08Å |
| 1290 | L | 83.3 | Confident | 82.5 | Confident | 49 Ų | 49 | 37.1 Ų | 37.1 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 175.4 | -69.3 | -174.8 | 0 | 0 | 0 | 112.1 | Y1275 Y1279 M1282 N1286 L1287 R1293 Q1294 | Y1275-L1290 HydrophobicContact CD1-CB 4.32Å; Y1275-L1290 HydrophobicContact CD1-CD1 4.01Å; Y1275-L1290 HydrophobicContact CD2-CB 3.93Å; Y1275-L1290 HydrophobicContact CE1-CB 4.08Å; Y1275-L1290 HydrophobicContact CE1-CD1 3.92Å; Y1275-L1290 VanDerWaalsContact CE2-C 3.47Å; Y1275-L1290 HydrophobicContact CE2-CB 3.66Å; Y1275-L1290 WeakPolarHBondContact CE2-O 3.35Å; Y1275-L1290 HydrophobicContact CG-CB 4.25Å; Y1279-L1290 HydrophobicContact CD2-CD1 4.32Å; Y1279-L1290 HydrophobicContact CE2-CD1 4Å; M1282-L1290 HydrophobicContact CE-CD1 3.48Å; M1282-L1290 VanDerWaalsContact CE-CD1 3.48Å; M1282-L1290 HydrophobicContact CE-CG 4.49Å; N1286-L1290 WeakPolarHBondContact O-CG 3.24Å; N1286-L1290 PolarHBondContact O-N 2.81Å; N1286-L1290 VanDerWaalsContact O-N 3.07Å; L1287-L1290 PolarHBondContact O-N 3.39Å; L1290-R1293 PolarHBondContact O-N 3Å; L1290-Q1294 PolarHBondContact O-N 3.39Å |
| 1291 | R | 87.7 | Confident | 82.9 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 18% | 0.177 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -55.1 | 171.3 | -177.9 | 171.8 | 79.2 | 172 | 9.4 | 110.6 | V1271 T1272 L1287 R1293 Q1294 V1295 F1502 D1505 | V1271-R1291 HydrophobicContact CG1-CB 4.44Å; V1271-R1291 HydrophobicContact CG1-CG 4.28Å; T1272-R1291 WeakPolarHBondContact OG1-CD 3.32Å; T1272-R1291 PolarHBondContact OG1-NH1 3.08Å; L1287-R1291 WeakPolarHBondContact O-CB 3.44Å; L1287-R1291 PolarHBondContact O-N 3.27Å; R1291-R1293 VanDerWaalsContact C-N 3.3Å; R1291-R1293 PolarHBondContact O-N 2.99Å; R1291-Q1294 PolarHBondContact O-N 3.38Å; R1291-Q1294 VanDerWaalsContact O-N 3.15Å; R1291-V1295 HydrophobicContact CG-CG2 4.41Å; R1291-V1295 WeakPolarHBondContact O-CG2 3.29Å; R1291-V1295 PolarHBondContact O-N 3.37Å; R1291-F1502 HydrophobicContact CB-CE2 4.19Å; R1291-F1502 HydrophobicContact CB-CZ 4.25Å; R1291-D1505 IonicContact CZ-OD2 2.69Å; R1291-D1505 IonicContact NH1-OD2 2.6Å; R1291-D1505 PolarHBondContact NH1-OD2 3.37Å; R1291-D1505 IonicContact NH2-OD2 3Å; R1291-D1505 PolarHBondContact NH2-OD2 3.23Å |
| 1292 | G | 82 | Confident | 83.6 | Confident | 35 Ų | 35 | 32.5 Ų | 32.5 | 36% | 0.361 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -54.9 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1288 V1289 Q1294 V1295 S1296 | S1288-G1292 PolarHBondContact O-N 3.33Å; V1289-G1292 PolarHBondContact O-N 3.48Å; G1292-Q1294 PolarHBondContact O-N 2.83Å; G1292-V1295 PolarHBondContact O-N 3.41Å; G1292-S1296 WeakPolarHBondContact O-CA 3.48Å; G1292-S1296 VanDerWaalsContact O-CB 3.23Å; G1292-S1296 WeakPolarHBondContact O-CB 3.5Å; G1292-S1296 PolarHBondContact O-N 2.98Å |
| 1293 | R | 81.3 | Confident | 84.1 | Confident | 108 Ų | 108 | 31.3 Ų | 31.3 | 41% | 0.408 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62 | -40 | 178.1 | -174.1 | 171.5 | 175.7 | 160.7 | 0 | 113.1 | V1289 L1290 R1291 S1296 | V1289-R1293 WeakPolarHBondContact O-CB 3.44Å; V1289-R1293 PolarHBondContact O-N 3.08Å; L1290-R1293 PolarHBondContact O-N 3Å; R1291-R1293 VanDerWaalsContact C-N 3.3Å; R1291-R1293 PolarHBondContact O-N 2.99Å; R1293-S1296 PolarHBondContact O-OG 3.01Å |
| 1294 | Q | 85.1 | Confident | 84.8 | Confident | 19 Ų | 19 | 30.3 Ų | 30.3 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.3 | -40.4 | 176.5 | -81.7 | -151.1 | 91.2 | 0 | 0 | 113.6 | V1271 Y1275 L1290 R1291 G1292 N1299 V1425 K1426 | V1271-Q1294 HydrophobicContact CG1-CB 4.08Å; Y1275-Q1294 HydrophobicContact CE2-CG 4.26Å; Y1275-Q1294 WeakPolarHBondContact OH-CG 3.32Å; Y1275-Q1294 PolarHBondContact OH-NE2 3.17Å; Y1275-Q1294 VanDerWaalsContact OH-NE2 3.09Å; L1290-Q1294 PolarHBondContact O-N 3.39Å; R1291-Q1294 PolarHBondContact O-N 3.38Å; R1291-Q1294 VanDerWaalsContact O-N 3.15Å; G1292-Q1294 PolarHBondContact O-N 2.83Å; Q1294-N1299 PolarHBondContact O-ND2 2.83Å; Q1294-V1425 VanDerWaalsContact OE1-CG1 3.27Å; Q1294-K1426 PolarHBondContact NE2-O 2.94Å |
| 1295 | V | 88.1 | Confident | 85.1 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 10% | 0.097 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -89.9 | -4.6 | -173.4 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | L1267 K1268 V1271 R1291 G1292 L1300 | L1267-V1295 HydrophobicContact CD2-CG1 4.11Å; L1267-V1295 HydrophobicContact CG-CG1 4.34Å; L1267-V1295 HydrophobicContact CG-CG2 4.3Å; K1268-V1295 HydrophobicContact CG-CG1 4.02Å; V1271-V1295 HydrophobicContact CB-CG2 4.17Å; V1271-V1295 HydrophobicContact CG1-CG2 4.18Å; V1271-V1295 HydrophobicContact CG2-CG2 4.14Å; R1291-V1295 HydrophobicContact CG-CG2 4.41Å; R1291-V1295 WeakPolarHBondContact O-CG2 3.29Å; R1291-V1295 PolarHBondContact O-N 3.37Å; G1292-V1295 PolarHBondContact O-N 3.41Å; V1295-L1300 WeakPolarHBondContact O-CD1 3.44Å |
| 1296 | S | 86 | Confident | 85.7 | Confident | 39 Ų | 39 | 38.3 Ų | 38.3 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -56.6 | 140.3 | 178.2 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | G1292 R1293 Y1298 N1299 L1300 | G1292-S1296 WeakPolarHBondContact O-CA 3.48Å; G1292-S1296 VanDerWaalsContact O-CB 3.23Å; G1292-S1296 WeakPolarHBondContact O-CB 3.5Å; G1292-S1296 PolarHBondContact O-N 2.98Å; R1293-S1296 PolarHBondContact O-OG 3.01Å; S1296-Y1298 PolarHBondContact O-N 3.32Å; S1296-Y1298 VanDerWaalsContact O-N 3.08Å; S1296-N1299 PolarHBondContact O-N 2.83Å; S1296-N1299 WeakPolarHBondContact OG-CB 3.38Å; S1296-N1299 PolarHBondContact OG-N 3.31Å; S1296-L1300 PolarHBondContact O-N 3.19Å |
| 1297 | N | 86.9 | Confident | 86.4 | Confident | 33 Ų | 33 | 37.4 Ų | 37.4 | 18% | 0.176 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -44.7 | -43 | 172.8 | -67.7 | -45.3 | 0 | 0 | 0 | 112 | D575 Y1301 | D575-N1297 PolarHBondContact OD2-ND2 2.84Å; D575-N1297 VanDerWaalsContact OD2-ND2 3.1Å; N1297-Y1301 WeakPolarHBondContact O-CB 3.32Å; N1297-Y1301 PolarHBondContact O-N 3.44Å |
| 1298 | Y | 84.6 | Confident | 86.7 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 176.2 | 171.9 | -113.6 | 0 | 0 | 0 | 113.7 | P586 S1296 K1302 | P586-Y1298 HydrophobicContact CB-CD2 3.79Å; P586-Y1298 HydrophobicContact CB-CE2 3.84Å; P586-Y1298 HydrophobicContact CG-CD2 4.49Å; P586-Y1298 HydrophobicContact CG-CE2 4.3Å; S1296-Y1298 PolarHBondContact O-N 3.32Å; S1296-Y1298 VanDerWaalsContact O-N 3.08Å; Y1298-K1302 HydrophobicContact CE1-CD 4.49Å; Y1298-K1302 VanDerWaalsContact O-CB 3.28Å; Y1298-K1302 WeakPolarHBondContact O-CB 3.47Å; Y1298-K1302 PolarHBondContact O-N 2.82Å |
| 1299 | N | 87.5 | Confident | 87.2 | Confident | 39 Ų | 39 | 37 Ų | 37 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.2 | -42.7 | -179.2 | -174.5 | 59.9 | 0 | 0 | 0 | 111.1 | Q1294 S1296 K1302 L1303 | Q1294-N1299 PolarHBondContact O-ND2 2.83Å; S1296-N1299 PolarHBondContact O-N 2.83Å; S1296-N1299 WeakPolarHBondContact OG-CB 3.38Å; S1296-N1299 PolarHBondContact OG-N 3.31Å; N1299-K1302 WeakPolarHBondContact O-CB 3.42Å; N1299-K1302 PolarHBondContact O-N 3.25Å; N1299-L1303 WeakPolarHBondContact O-CG 3.34Å; N1299-L1303 PolarHBondContact O-N 3.15Å |
| 1300 | L | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 178.5 | -60.3 | -178.8 | 0 | 0 | 0 | 111.9 | L1267 V1295 S1296 K1302 L1303 G1304 A1397 V1400 E1401 | L1267-L1300 HydrophobicContact CD2-CD1 3.98Å; L1267-L1300 HydrophobicContact CD2-CD2 3.9Å; V1295-L1300 WeakPolarHBondContact O-CD1 3.44Å; S1296-L1300 PolarHBondContact O-N 3.19Å; L1300-K1302 VanDerWaalsContact C-N 3.33Å; L1300-K1302 PolarHBondContact O-N 3.17Å; L1300-L1303 PolarHBondContact O-N 3.02Å; L1300-G1304 PolarHBondContact O-N 3.05Å; L1300-A1397 HydrophobicContact CB-CB 3.68Å; L1300-V1400 HydrophobicContact CB-CG1 4.49Å; L1300-V1400 HydrophobicContact CD2-CG1 4.32Å; L1300-E1401 HydrophobicContact CD1-CG 3.79Å; L1300-E1401 VanDerWaalsContact CD1-OE1 3.31Å; L1300-E1401 WeakPolarHBondContact CD1-OE1 3.33Å |
| 1301 | Y | 90.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -52.4 | -49 | 167.6 | 162 | -99 | 0 | 0 | 0 | 111.9 | Q593 N1297 L1303 G1304 R1305 D1393 I1396 | Q593-Y1301 PolarHBondContact NE2-OH 3.49Å; Q593-Y1301 PolarHBondContact OE1-OH 3.35Å; N1297-Y1301 WeakPolarHBondContact O-CB 3.32Å; N1297-Y1301 PolarHBondContact O-N 3.44Å; Y1301-L1303 PolarHBondContact O-N 2.91Å; Y1301-G1304 PolarHBondContact O-N 3.43Å; Y1301-R1305 WeakPolarHBondContact O-CB 3.5Å; Y1301-R1305 PolarHBondContact O-N 3.01Å; Y1301-R1305 WeakPolarHBondContact OH-CD 3.37Å; Y1301-R1305 PolarHBondContact OH-NH1 3.43Å; Y1301-D1393 HydrophobicContact CD2-CB 3.62Å; Y1301-D1393 WeakPolarHBondContact CD2-O 3.48Å; Y1301-D1393 HydrophobicContact CE2-CB 3.8Å; Y1301-D1393 WeakPolarHBondContact CE2-OD1 3.44Å; Y1301-D1393 HydrophobicContact CG-CB 4.07Å; Y1301-I1396 HydrophobicContact CD2-CB 4.18Å; Y1301-I1396 HydrophobicContact CD2-CD1 4.32Å; Y1301-I1396 HydrophobicContact CD2-CG2 4.38Å; Y1301-I1396 HydrophobicContact CE2-CD1 4.21Å |
| 1302 | K | 88.8 | Confident | 88.3 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | -178.2 | 179.2 | 170.3 | 175.3 | 170.7 | 0 | 112.4 | Y1298 N1299 L1300 R1306 E1349 | Y1298-K1302 HydrophobicContact CE1-CD 4.49Å; Y1298-K1302 VanDerWaalsContact O-CB 3.28Å; Y1298-K1302 WeakPolarHBondContact O-CB 3.47Å; Y1298-K1302 PolarHBondContact O-N 2.82Å; N1299-K1302 WeakPolarHBondContact O-CB 3.42Å; N1299-K1302 PolarHBondContact O-N 3.25Å; L1300-K1302 VanDerWaalsContact C-N 3.33Å; L1300-K1302 PolarHBondContact O-N 3.17Å; K1302-R1306 WeakPolarHBondContact O-CB 3.25Å; K1302-R1306 VanDerWaalsContact O-CG 3.26Å; K1302-R1306 WeakPolarHBondContact O-CG 3.36Å; K1302-R1306 PolarHBondContact O-N 3.49Å; K1302-R1306 VanDerWaalsContact O-N 3.15Å; K1302-E1349 IonicContact NZ-OE1 2.75Å; K1302-E1349 PolarHBondContact NZ-OE1 2.78Å; K1302-E1349 IonicContact NZ-OE2 2.7Å; K1302-E1349 PolarHBondContact NZ-OE2 2.88Å |
| 1303 | L | 91 | Very high | 88.9 | Confident | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.4 | -44.3 | 174.3 | -63.3 | -178 | 0 | 0 | 0 | 111.7 | N1299 L1300 Y1301 R1305 R1306 K1307 V1425 | N1299-L1303 WeakPolarHBondContact O-CG 3.34Å; N1299-L1303 PolarHBondContact O-N 3.15Å; L1300-L1303 PolarHBondContact O-N 3.02Å; Y1301-L1303 PolarHBondContact O-N 2.91Å; L1303-R1305 PolarHBondContact O-N 2.71Å; L1303-R1306 WeakPolarHBondContact O-CB 3.47Å; L1303-R1306 PolarHBondContact O-N 2.9Å; L1303-K1307 PolarHBondContact O-N 2.72Å; L1303-V1425 HydrophobicContact CD1-CG2 3.48Å; L1303-V1425 VanDerWaalsContact CD1-CG2 3.48Å |
| 1304 | G | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1300 Y1301 K1307 G1308 I1309 | L1300-G1304 PolarHBondContact O-N 3.05Å; Y1301-G1304 PolarHBondContact O-N 3.43Å; G1304-K1307 PolarHBondContact O-N 3.19Å; G1304-G1308 PolarHBondContact O-N 2.99Å; G1304-I1309 PolarHBondContact O-N 3.39Å |
| 1305 | R | 88.2 | Confident | 89.5 | Confident | 65 Ų | 65 | 28.7 Ų | 28.7 | 25% | 0.245 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 172.3 | 176.9 | 169.2 | 160.2 | -158.9 | -3 | 111.9 | Y1301 L1303 K1307 G1308 D1342 D1345 | Y1301-R1305 WeakPolarHBondContact O-CB 3.5Å; Y1301-R1305 PolarHBondContact O-N 3.01Å; Y1301-R1305 WeakPolarHBondContact OH-CD 3.37Å; Y1301-R1305 PolarHBondContact OH-NH1 3.43Å; L1303-R1305 PolarHBondContact O-N 2.71Å; R1305-K1307 PolarHBondContact O-N 3.34Å; R1305-G1308 PolarHBondContact O-N 3.17Å; R1305-D1342 IonicContact CZ-OD1 3.89Å; R1305-D1342 IonicContact NH2-OD1 3.51Å; R1305-D1342 PolarHBondContact NH2-OD1 3.49Å; R1305-D1345 IonicContact CZ-OD2 3.79Å; R1305-D1345 IonicContact NH1-OD2 3.18Å; R1305-D1345 PolarHBondContact NH1-OD2 3.3Å; R1305-D1345 IonicContact NH2-OD2 2.74Å |
| 1306 | R | 88.6 | Confident | 89.4 | Confident | 155 Ų | 155 | 29.5 Ų | 29.5 | 59% | 0.585 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -60.3 | -29 | 174.3 | -81.9 | 173.6 | 167.6 | -169.2 | -5 | 113.5 | K1302 L1303 | K1302-R1306 WeakPolarHBondContact O-CB 3.25Å; K1302-R1306 VanDerWaalsContact O-CG 3.26Å; K1302-R1306 WeakPolarHBondContact O-CG 3.36Å; K1302-R1306 PolarHBondContact O-N 3.49Å; K1302-R1306 VanDerWaalsContact O-N 3.15Å; L1303-R1306 WeakPolarHBondContact O-CB 3.47Å; L1303-R1306 PolarHBondContact O-N 2.9Å |
| 1307 | K | 91.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 31.5 Ų | 31.5 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -86.2 | -14.9 | 172.8 | -67 | -59.7 | -165.8 | 168.4 | 0 | 113.9 | R912 E916 L1303 G1304 R1305 I1309 W1422 L1423 | R912-K1307 PolarHBondContact NH1-O 3.22Å; E916-K1307 IonicContact OE2-NZ 3.99Å; L1303-K1307 PolarHBondContact O-N 2.72Å; G1304-K1307 PolarHBondContact O-N 3.19Å; R1305-K1307 PolarHBondContact O-N 3.34Å; K1307-I1309 HydrophobicContact CB-CD1 4.29Å; K1307-I1309 HydrophobicContact CB-CG1 4.04Å; K1307-W1422 HydrophobicContact CB-CH2 4.02Å; K1307-W1422 HydrophobicContact CB-CZ3 4.33Å; K1307-W1422 HydrophobicContact CD-CD2 4.47Å; K1307-W1422 HydrophobicContact CD-CE3 4.37Å; K1307-W1422 HydrophobicContact CD-CH2 3.59Å; K1307-W1422 HydrophobicContact CD-CZ2 3.67Å; K1307-W1422 HydrophobicContact CD-CZ3 3.95Å; K1307-W1422 WeakPolarHBondContact CE-O 3.33Å; K1307-W1422 HydrophobicContact CG-CE3 4.5Å; K1307-W1422 HydrophobicContact CG-CH2 3.8Å; K1307-W1422 HydrophobicContact CG-CZ2 4.39Å; K1307-W1422 HydrophobicContact CG-CZ3 3.84Å; K1307-W1422 PolarHBondContact NZ-O 3.05Å; K1307-L1423 HydrophobicContact CG-CD2 4.31Å |
| 1308 | G | 89.6 | Confident | 89.6 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 18% | 0.175 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 24.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1304 R1305 G1310 E1311 F1312 | G1304-G1308 PolarHBondContact O-N 2.99Å; R1305-G1308 PolarHBondContact O-N 3.17Å; G1308-G1310 PolarHBondContact O-N 3.46Å; G1308-E1311 WeakPolarHBondContact O-CB 3.5Å; G1308-E1311 PolarHBondContact O-N 3.17Å; G1308-F1312 WeakPolarHBondContact O-CD2 3.31Å |
| 1309 | I | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -63.1 | -37.2 | -172.3 | -66.2 | 178.1 | 0 | 0 | 0 | 112.3 | L1245 G1304 K1307 E1311 F1312 M1313 V1400 L1403 L1423 | L1245-I1309 HydrophobicContact CD2-CG2 4.35Å; G1304-I1309 PolarHBondContact O-N 3.39Å; K1307-I1309 HydrophobicContact CB-CD1 4.29Å; K1307-I1309 HydrophobicContact CB-CG1 4.04Å; I1309-E1311 PolarHBondContact O-N 2.85Å; I1309-F1312 PolarHBondContact O-N 2.66Å; I1309-M1313 HydrophobicContact CG2-CG 4.25Å; I1309-M1313 PolarHBondContact O-N 3.16Å; I1309-V1400 HydrophobicContact CD1-CG2 3.75Å; I1309-L1403 HydrophobicContact CD1-CD1 4.02Å; I1309-L1403 HydrophobicContact CG2-CD1 4.18Å; I1309-L1423 HydrophobicContact CD1-CD2 4.1Å |
| 1310 | G | 88.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -60.9 | -13.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y595 G1308 Q1389 L1391 | Y595-G1310 WeakPolarHBondContact CB-O 3.49Å; G1308-G1310 PolarHBondContact O-N 3.46Å; G1310-Q1389 PolarHBondContact O-NE2 2.84Å; G1310-L1391 VanDerWaalsContact O-CD1 3.29Å; G1310-L1391 WeakPolarHBondContact O-CD1 3.48Å |
| 1311 | E | 90.1 | Very high | 89.3 | Confident | 80 Ų | 80 | 31.5 Ų | 31.5 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -79.5 | -29.9 | 170.2 | -56.8 | -178.7 | 179.4 | 0 | 0 | 112.6 | K598 G1308 I1309 | K598-E1311 HydrophobicContact CB-CB 4.08Å; K598-E1311 WeakPolarHBondContact CB-O 3.45Å; K598-E1311 HydrophobicContact CG-CB 4.47Å; K598-E1311 PolarHBondContact N-O 3.04Å; K598-E1311 VanDerWaalsContact N-O 3.1Å; K598-E1311 IonicContact NZ-OE2 2.69Å; K598-E1311 PolarHBondContact NZ-OE2 2.92Å; G1308-E1311 WeakPolarHBondContact O-CB 3.5Å; G1308-E1311 PolarHBondContact O-N 3.17Å; I1309-E1311 PolarHBondContact O-N 2.85Å |
| 1312 | F | 93.5 | Very high | 89 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -21.3 | -178.2 | -65.2 | -98.6 | 0 | 0 | 0 | 113.2 | K598 L905 L909 L1245 G1308 I1309 | K598-F1312 HydrophobicContact CD-CD1 3.87Å; K598-F1312 HydrophobicContact CD-CD2 4.29Å; K598-F1312 HydrophobicContact CD-CE1 3.58Å; K598-F1312 HydrophobicContact CD-CE2 4.05Å; K598-F1312 HydrophobicContact CD-CG 4.22Å; K598-F1312 HydrophobicContact CD-CZ 3.69Å; L905-F1312 HydrophobicContact CB-CD1 4.17Å; L905-F1312 HydrophobicContact CD2-CD1 4.32Å; L909-F1312 HydrophobicContact CB-CD1 4.15Å; L909-F1312 HydrophobicContact CB-CE1 4.07Å; L909-F1312 HydrophobicContact CD1-CE2 4.45Å; L909-F1312 HydrophobicContact CD1-CZ 4.41Å; L1245-F1312 HydrophobicContact CD1-CB 4.19Å; L1245-F1312 HydrophobicContact CD2-CB 3.82Å; G1308-F1312 WeakPolarHBondContact O-CD2 3.31Å; I1309-F1312 PolarHBondContact O-N 2.66Å |
| 1313 | M | 93.7 | Very high | 88.9 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | trans | -65.1 | 155.2 | -178.7 | -74.3 | -175.1 | 69.7 | 0 | 0 | 113.2 | L1245 A1247 L1256 I1309 Q1389 L1391 S1395 I1396 C1399 | L1245-M1313 HydrophobicContact CD2-CG 4.31Å; L1245-M1313 CarbonylContact O-C 3.55Å; L1245-M1313 VanDerWaalsContact O-CA 3.29Å; L1245-M1313 WeakPolarHBondContact O-CA 3.41Å; A1247-M1313 HydrophobicContact CB-CE 4.28Å; L1256-M1313 HydrophobicContact CD2-CE 4.22Å; I1309-M1313 HydrophobicContact CG2-CG 4.25Å; I1309-M1313 PolarHBondContact O-N 3.16Å; M1313-Q1389 PolarHBondContact O-NE2 3.2Å; M1313-Q1389 PolarHBondContact O-OE1 3.37Å; M1313-L1391 HydrophobicContact CB-CD1 3.99Å; M1313-L1391 HydrophobicContact CE-CD2 4.26Å; M1313-L1391 HydrophobicContact SD-CD1 3.96Å; M1313-S1395 VanDerWaalsContact CE-O 3.28Å; M1313-S1395 WeakPolarHBondContact CE-O 3.22Å; M1313-I1396 HydrophobicContact SD-CG1 3.85Å; M1313-C1399 HydrophobicContact CE-CB 3.71Å; M1313-C1399 HydrophobicContact CG-CB 4.22Å; M1313-C1399 HydrophobicContact SD-CB 3.65Å | ||
| 1314 | V | 92.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -105.6 | 108.1 | 166.7 | -171 | 0 | 0 | 0 | 0 | 108.7 | Y898 H902 L1245 T1246 A1247 A1250 | Y898-V1314 VanDerWaalsContact OH-CG1 3.24Å; Y898-V1314 WeakPolarHBondContact OH-CG1 3.39Å; H902-V1314 VanDerWaalsContact CD2-CG2 3.42Å; H902-V1314 WeakPolarHBondContact CD2-CG2 3.17Å; L1245-V1314 PolarHBondContact O-N 3.25Å; T1246-V1314 HydrophobicContact CG2-CB 4.44Å; A1247-V1314 PolarHBondContact N-O 3.49Å; A1250-V1314 HydrophobicContact CB-CB 4.33Å; A1250-V1314 HydrophobicContact CB-CG1 3.7Å |
| 1315 | G | 87.1 | Confident | 88.7 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | trans | -105.5 | -6.2 | -177 | 0 | 0 | 0 | 0 | 0 | 116.2 | S1249 | S1249-G1315 PolarHBondContact OG-O 2.95Š| ||
| 1316 | C | 86.6 | Confident | 88.8 | Confident | 32 Ų | 32 | 32.8 Ų | 32.8 | 22% | 0.216 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -139.9 | 140 | -171 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | F1318 | C1316-F1318 PolarHBondContact O-N 3.35Š|
| 1317 | K | 87.1 | Confident | 89 | Confident | 81 Ų | 81 | 25.6 Ų | 25.6 | 35% | 0.352 | 14% | 0.137 | S | C | . | . | trans | -46.3 | 127.2 | 173.2 | -174.8 | -172.8 | 175.8 | -158.7 | 0 | 112.5 | S1249 A1250 H1251 E1319 N1323 | S1249-K1317 PolarHBondContact O-N 3.43Å; A1250-K1317 VanDerWaalsContact O-CA 3.28Å; A1250-K1317 WeakPolarHBondContact O-CA 3.49Å; H1251-K1317 HydrophobicContact CB-CG 4.44Å; K1317-E1319 HydrophobicContact CD-CG 4.15Å; K1317-E1319 WeakPolarHBondContact CD-OE1 3.35Å; K1317-E1319 WeakPolarHBondContact CE-OE1 3.05Å; K1317-E1319 HydrophobicContact CG-CG 4.11Å; K1317-E1319 IonicContact NZ-OE1 2.73Å; K1317-E1319 PolarHBondContact NZ-OE1 3.28Å; K1317-E1319 PolarHBondContact O-N 2.96Å; K1317-E1319 VanDerWaalsContact O-N 3.12Å; K1317-N1323 PolarHBondContact O-ND2 3.4Å; K1317-N1323 PolarHBondContact O-OD1 3.44Å | ||
| 1318 | F | 89.7 | Confident | 88.8 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | trans | -69.4 | 107.9 | 179.2 | 175.6 | -131.5 | 0 | 0 | 0 | 111.5 | N840 L842 P894 Y898 C1316 P1320 W1324 | N840-F1318 HydrophobicContact CB-CD1 3.98Å; N840-F1318 HydrophobicContact CB-CE1 4.41Å; N840-F1318 PolarHBondContact ND2-O 3.17Å; L842-F1318 HydrophobicContact CD1-CB 4.3Å; L842-F1318 HydrophobicContact CD1-CD1 3.6Å; L842-F1318 HydrophobicContact CD1-CE1 4.28Å; L842-F1318 HydrophobicContact CD1-CG 4.25Å; L842-F1318 HydrophobicContact CG-CD1 4.17Å; P894-F1318 HydrophobicContact CB-CZ 4.26Å; Y898-F1318 VanDerWaalsContact CB-CZ 3.5Å; Y898-F1318 HydrophobicContact CD1-CD1 4.22Å; Y898-F1318 HydrophobicContact CD1-CD2 4.24Å; Y898-F1318 HydrophobicContact CD1-CE1 4.42Å; Y898-F1318 HydrophobicContact CD1-CE2 4.43Å; Y898-F1318 HydrophobicContact CD1-CG 4.11Å; Y898-F1318 HydrophobicContact CD1-CZ 4.49Å; Y898-F1318 AromaticContact CD2-CD2 3.23Å; Y898-F1318 HydrophobicContact CD2-CD2 3.23Å; Y898-F1318 AromaticContact CD2-CE2 3.26Å; Y898-F1318 HydrophobicContact CD2-CE2 3.26Å; Y898-F1318 AromaticContact CD2-CG 3.92Å; Y898-F1318 HydrophobicContact CD2-CG 3.92Å; Y898-F1318 AromaticContact CD2-CZ 3.96Å; Y898-F1318 HydrophobicContact CD2-CZ 3.96Å; Y898-F1318 HydrophobicContact CE1-CB 4.08Å; Y898-F1318 HydrophobicContact CE1-CD1 4.5Å; Y898-F1318 HydrophobicContact CE1-CD2 4.34Å; Y898-F1318 HydrophobicContact CE1-CG 4.08Å; Y898-F1318 HydrophobicContact CE2-CB 4.1Å; Y898-F1318 AromaticContact CE2-CD2 3.34Å; Y898-F1318 HydrophobicContact CE2-CD2 3.34Å; Y898-F1318 AromaticContact CE2-CE2 3.89Å; Y898-F1318 HydrophobicContact CE2-CE2 3.89Å; Y898-F1318 AromaticContact CE2-CG 3.86Å; Y898-F1318 HydrophobicContact CE2-CG 3.86Å; Y898-F1318 HydrophobicContact CG-CD1 4.23Å; Y898-F1318 AromaticContact CG-CD2 3.7Å; Y898-F1318 HydrophobicContact CG-CD2 3.7Å; Y898-F1318 HydrophobicContact CG-CE1 4.12Å; Y898-F1318 AromaticContact CG-CE2 3.56Å; Y898-F1318 HydrophobicContact CG-CE2 3.56Å; Y898-F1318 HydrophobicContact CG-CG 4.02Å; Y898-F1318 AromaticContact CG-CZ 3.76Å; Y898-F1318 HydrophobicContact CG-CZ 3.76Å; Y898-F1318 AromaticContact CZ-CD2 3.91Å; Y898-F1318 AromaticContact CZ-CG 3.93Å; C1316-F1318 PolarHBondContact O-N 3.35Å; F1318-P1320 HydrophobicContact CD1-CG 4.46Å; F1318-P1320 HydrophobicContact CD2-CG 4.46Å; F1318-P1320 HydrophobicContact CE1-CG 3.88Å; F1318-P1320 HydrophobicContact CE2-CB 4.48Å; F1318-P1320 HydrophobicContact CE2-CG 3.88Å; F1318-P1320 HydrophobicContact CZ-CB 4.41Å; F1318-P1320 HydrophobicContact CZ-CG 3.59Å; F1318-W1324 HydrophobicContact CD2-CB 4.34Å; F1318-W1324 HydrophobicContact CE2-CB 3.83Å; F1318-W1324 HydrophobicContact CE2-CD2 4.18Å; F1318-W1324 AromaticContact CE2-CG 3.77Å; F1318-W1324 HydrophobicContact CE2-CG 3.77Å | ||
| 1319 | E | 87.4 | Confident | 88.9 | Confident | 75 Ų | 75 | 22.9 Ų | 22.9 | 35% | 0.35 | 12% | 0.121 | S | C | . | . | trans | -127.4 | 96 | 178.5 | -65.2 | -169 | 142.2 | 0 | 0 | 109 | K1317 A1321 D1322 N1323 | K1317-E1319 HydrophobicContact CD-CG 4.15Å; K1317-E1319 WeakPolarHBondContact CD-OE1 3.35Å; K1317-E1319 WeakPolarHBondContact CE-OE1 3.05Å; K1317-E1319 HydrophobicContact CG-CG 4.11Å; K1317-E1319 IonicContact NZ-OE1 2.73Å; K1317-E1319 PolarHBondContact NZ-OE1 3.28Å; K1317-E1319 PolarHBondContact O-N 2.96Å; K1317-E1319 VanDerWaalsContact O-N 3.12Å; E1319-A1321 PolarHBondContact O-N 3.01Å; E1319-D1322 HydrophobicContact CB-CB 4.38Å; E1319-D1322 PolarHBondContact O-N 3.33Å; E1319-N1323 PolarHBondContact N-OD1 3.23Å; E1319-N1323 VanDerWaalsContact N-OD1 3.13Å; E1319-N1323 PolarHBondContact O-N 3.19Å; E1319-N1323 PolarHBondContact O-OD1 2.7Å | ||
| 1320 | P | 86.1 | Confident | 88.6 | Confident | 12 Ų | 12 | 24.3 Ų | 24.3 | 8% | 0.078 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.4 | -166 | -33.1 | 37.6 | 0 | 0 | 0 | 116.6 | L704 L839 P894 F1318 W1324 | L704-P1320 HydrophobicContact CD1-CB 4.44Å; L704-P1320 HydrophobicContact CD2-CB 3.93Å; L839-P1320 HydrophobicContact CB-CB 4.13Å; L839-P1320 HydrophobicContact CB-CG 3.78Å; L839-P1320 HydrophobicContact CD1-CB 4.39Å; P894-P1320 HydrophobicContact CB-CB 4.22Å; P894-P1320 HydrophobicContact CB-CG 4.25Å; F1318-P1320 HydrophobicContact CD1-CG 4.46Å; F1318-P1320 HydrophobicContact CD2-CG 4.46Å; F1318-P1320 HydrophobicContact CE1-CG 3.88Å; F1318-P1320 HydrophobicContact CE2-CB 4.48Å; F1318-P1320 HydrophobicContact CE2-CG 3.88Å; F1318-P1320 HydrophobicContact CZ-CB 4.41Å; F1318-P1320 HydrophobicContact CZ-CG 3.59Å; P1320-W1324 HydrophobicContact CB-CE3 4.41Å |
| 1321 | A | 82.9 | Confident | 88.3 | Confident | 27 Ų | 27 | 25.2 Ų | 25.2 | 22% | 0.223 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -12.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L704 K706 E1319 | L704-A1321 HydrophobicContact CD2-CB 4.09Å; K706-A1321 VanDerWaalsContact CD-O 3.31Å; K706-A1321 WeakPolarHBondContact CD-O 3.47Å; K706-A1321 WeakPolarHBondContact CE-O 3.37Å; K706-A1321 PolarHBondContact NZ-O 3.29Å; E1319-A1321 PolarHBondContact O-N 3.01Å |
| 1322 | D | 82.9 | Confident | 87.6 | Confident | 80 Ų | 80 | 26 Ų | 26 | 43% | 0.428 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -24.3 | -164.1 | -69.2 | -80 | 0 | 0 | 0 | 113.9 | K706 E1319 | K706-D1322 IonicContact NZ-OD1 2.71Å; K706-D1322 PolarHBondContact NZ-OD1 3.1Å; K706-D1322 IonicContact NZ-OD2 3.72Å; K706-D1322 PolarHBondContact NZ-OD2 3.38Å; E1319-D1322 HydrophobicContact CB-CB 4.38Å; E1319-D1322 PolarHBondContact O-N 3.33Å |
| 1323 | N | 86.7 | Confident | 86 | Confident | 18 Ų | 18 | 28.5 Ų | 28.5 | 10% | 0.096 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.5 | 14 | -178.9 | 66.5 | 37.7 | 0 | 0 | 0 | 115.7 | K597 K1317 E1319 L1385 | K597-N1323 PolarHBondContact NZ-O 3.17Å; K1317-N1323 PolarHBondContact O-ND2 3.4Å; K1317-N1323 PolarHBondContact O-OD1 3.44Å; E1319-N1323 PolarHBondContact N-OD1 3.23Å; E1319-N1323 VanDerWaalsContact N-OD1 3.13Å; E1319-N1323 PolarHBondContact O-N 3.19Å; E1319-N1323 PolarHBondContact O-OD1 2.7Å; N1323-L1385 HydrophobicContact CB-CB 4.16Å |
| 1324 | W | 89.4 | Confident | 83.7 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | trans | -124.1 | 138.7 | 174.3 | -178.3 | 66.3 | 0 | 0 | 0 | 111.6 | F698 L704 P894 L897 Y898 F1318 P1320 P1326 F1386 | F698-W1324 HydrophobicContact CE1-CH2 4.21Å; F698-W1324 HydrophobicContact CE1-CZ3 4.38Å; L704-W1324 HydrophobicContact CD1-CE3 4.07Å; L704-W1324 HydrophobicContact CD1-CZ3 3.71Å; P894-W1324 HydrophobicContact CB-CE3 4.25Å; P894-W1324 HydrophobicContact CB-CH2 4.19Å; P894-W1324 HydrophobicContact CB-CZ3 3.76Å; P894-W1324 HydrophobicContact CG-CZ3 4.3Å; L897-W1324 HydrophobicContact CB-CH2 4.35Å; L897-W1324 HydrophobicContact CB-CZ2 3.91Å; L897-W1324 HydrophobicContact CD1-CH2 4.32Å; Y898-W1324 AromaticContact CD2-CD1 3.86Å; F1318-W1324 HydrophobicContact CD2-CB 4.34Å; F1318-W1324 HydrophobicContact CE2-CB 3.83Å; F1318-W1324 HydrophobicContact CE2-CD2 4.18Å; F1318-W1324 AromaticContact CE2-CG 3.77Å; F1318-W1324 HydrophobicContact CE2-CG 3.77Å; P1320-W1324 HydrophobicContact CB-CE3 4.41Å; W1324-P1326 HydrophobicContact CE3-CG 4.13Å; W1324-P1326 HydrophobicContact CH2-CB 4.15Å; W1324-P1326 HydrophobicContact CZ3-CB 3.93Å; W1324-P1326 HydrophobicContact CZ3-CG 3.88Å; W1324-F1386 VanDerWaalsContact O-CD1 3.32Å; W1324-F1386 WeakPolarHBondContact O-CD1 3.47Å | ||
| 1325 | L | 88.8 | Confident | 81.7 | Confident | 19 Ų | 19 | 36.7 Ų | 36.7 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -103.2 | 116.3 | 179.8 | -157.1 | 80.4 | 0 | 0 | 0 | 109.4 | I709 Y1329 F1386 | I709-L1325 HydrophobicContact CB-CD1 4.44Å; I709-L1325 HydrophobicContact CG2-CD1 3.73Å; L1325-Y1329 VanDerWaalsContact CD2-O 3.28Å; L1325-Y1329 WeakPolarHBondContact CD2-O 3.36Å; L1325-F1386 HydrophobicContact CD1-CB 3.94Å; L1325-F1386 HydrophobicContact CD1-CG 4.32Å |
| 1326 | P | 90.9 | Very high | 79.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 156.8 | 178.5 | -18.3 | 30.8 | 0 | 0 | 0 | 112.3 | F698 L704 W1324 G1328 Y1329 | F698-P1326 HydrophobicContact CB-CB 4.44Å; F698-P1326 HydrophobicContact CD1-CB 3.75Å; F698-P1326 HydrophobicContact CD1-CG 4.33Å; F698-P1326 HydrophobicContact CD2-CB 4.46Å; F698-P1326 HydrophobicContact CE1-CB 4.07Å; F698-P1326 HydrophobicContact CG-CB 3.97Å; L704-P1326 HydrophobicContact CB-CG 4.12Å; L704-P1326 HydrophobicContact CD1-CG 3.95Å; W1324-P1326 HydrophobicContact CE3-CG 4.13Å; W1324-P1326 HydrophobicContact CH2-CB 4.15Å; W1324-P1326 HydrophobicContact CZ3-CB 3.93Å; W1324-P1326 HydrophobicContact CZ3-CG 3.88Å; P1326-G1328 PolarHBondContact O-N 3.33Å; P1326-Y1329 HydrophobicContact CB-CD2 3.75Å; P1326-Y1329 HydrophobicContact CB-CE2 4.24Å; P1326-Y1329 HydrophobicContact CB-CG 4.41Å; P1326-Y1329 HydrophobicContact CG-CD2 4.24Å; P1326-Y1329 WeakPolarHBondContact O-CB 3.24Å; P1326-Y1329 PolarHBondContact O-N 3.02Å; P1326-Y1329 VanDerWaalsContact O-N 3.15Å |
| 1327 | P | 91.4 | Very high | 77.2 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 137.5 | 179.1 | -18.1 | 30 | 0 | 0 | 0 | 111.6 | H694 F720 L897 Y1329 | H694-P1327 PolarHBondContact NE2-O 3.17Å; F720-P1327 HydrophobicContact CD1-CB 4.29Å; F720-P1327 HydrophobicContact CD2-CB 4.3Å; F720-P1327 HydrophobicContact CD2-CG 4.44Å; F720-P1327 HydrophobicContact CE1-CB 3.97Å; F720-P1327 HydrophobicContact CE1-CG 3.91Å; F720-P1327 HydrophobicContact CE2-CB 4Å; F720-P1327 HydrophobicContact CE2-CG 3.66Å; F720-P1327 HydrophobicContact CG-CB 4.46Å; F720-P1327 HydrophobicContact CZ-CB 3.84Å; F720-P1327 HydrophobicContact CZ-CG 3.36Å; L897-P1327 HydrophobicContact CD1-CG 3.79Å; P1327-Y1329 VanDerWaalsContact C-N 3.25Å; P1327-Y1329 PolarHBondContact O-N 3.2Å |
| 1328 | G | 88.6 | Confident | 74.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -0.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y711 D712 A716 T718 P1326 | Y711-G1328 VanDerWaalsContact CD2-O 3.27Å; Y711-G1328 WeakPolarHBondContact CD2-O 3.46Å; D712-G1328 CarbonylContact C-O 3.52Å; D712-G1328 PolarHBondContact N-O 2.62Å; A716-G1328 VanDerWaalsContact CB-C 3.47Å; T718-G1328 PolarHBondContact O-N 2.9Å; P1326-G1328 PolarHBondContact O-N 3.33Å |
| 1329 | Y | 90.9 | Very high | 72.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 151 | 171.6 | -74.5 | -103.4 | 0 | 0 | 0 | 111.7 | F698 E705 I709 K710 Y711 A716 L1325 P1326 P1327 | F698-Y1329 HydrophobicContact CB-CE2 3.64Å; F698-Y1329 HydrophobicContact CD2-CE2 4.46Å; F698-Y1329 HydrophobicContact CG-CE2 4.29Å; E705-Y1329 HydrophobicContact CB-CE1 4.02Å; E705-Y1329 HydrophobicContact CG-CE1 3.92Å; E705-Y1329 PolarHBondContact OE2-OH 2.71Å; I709-Y1329 HydrophobicContact CD1-CD1 3.85Å; I709-Y1329 HydrophobicContact CD1-CE1 4.46Å; I709-Y1329 HydrophobicContact CD1-CG 4.42Å; I709-Y1329 HydrophobicContact CG1-CD1 4.13Å; K710-Y1329 WeakPolarHBondContact O-CA 3.39Å; Y711-Y1329 AromaticContact CD2-CD2 3.76Å; Y711-Y1329 HydrophobicContact CD2-CD2 3.76Å; Y711-Y1329 AromaticContact CD2-CE2 3.53Å; Y711-Y1329 HydrophobicContact CD2-CE2 3.53Å; Y711-Y1329 HydrophobicContact CD2-CG 4.35Å; Y711-Y1329 AromaticContact CD2-CZ 3.94Å; Y711-Y1329 HydrophobicContact CE2-CD2 4.46Å; Y711-Y1329 HydrophobicContact CE2-CE2 4.23Å; Y711-Y1329 HydrophobicContact CG-CE2 4.35Å; A716-Y1329 WeakPolarHBondContact CB-O 3.12Å; L1325-Y1329 VanDerWaalsContact CD2-O 3.28Å; L1325-Y1329 WeakPolarHBondContact CD2-O 3.36Å; P1326-Y1329 HydrophobicContact CB-CD2 3.75Å; P1326-Y1329 HydrophobicContact CB-CE2 4.24Å; P1326-Y1329 HydrophobicContact CB-CG 4.41Å; P1326-Y1329 HydrophobicContact CG-CD2 4.24Å; P1326-Y1329 WeakPolarHBondContact O-CB 3.24Å; P1326-Y1329 PolarHBondContact O-N 3.02Å; P1326-Y1329 VanDerWaalsContact O-N 3.15Å; P1327-Y1329 VanDerWaalsContact C-N 3.25Å; P1327-Y1329 PolarHBondContact O-N 3.2Å |
| 1330 | M | 86.6 | Confident | 70.4 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 15% | 0.148 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147.9 | 170.9 | 59.4 | 171.2 | -69.4 | 0 | 0 | 110.3 | I709 K710 D712 Q715 | I709-M1330 CarbonylContact C-O 3.14Å; I709-M1330 WeakPolarHBondContact CA-O 3.39Å; K710-M1330 PolarHBondContact N-O 3.38Å; K710-M1330 PolarHBondContact O-N 3.46Å; D712-M1330 HydrophobicContact CB-CG 4.12Å; D712-M1330 HydrophobicContact CB-SD 3.84Å; Q715-M1330 HydrophobicContact CB-SD 3.79Å |
| 1331 | P | 82.5 | Confident | 68.6 | Low | 20 Ų | 20 | 55 Ų | 55 | 13% | 0.13 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 144.3 | 167.6 | 31.3 | -35.5 | 0 | 0 | 0 | 110.5 | C1333 N1384 T1387 | P1331-C1333 VanDerWaalsContact C-N 3.27Å; P1331-C1333 PolarHBondContact O-N 2.74Å; P1331-N1384 VanDerWaalsContact CB-ND2 3.34Å; P1331-N1384 WeakPolarHBondContact CB-ND2 3.44Å; P1331-T1387 HydrophobicContact CG-CG2 3.93Å |
| 1332 | L | 74 | Confident | 67 | Low | 95 Ų | 95 | 58.1 Ų | 58.1 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -75.2 | -14.6 | 179.1 | -81.7 | 159.5 | 0 | 0 | 0 | 113.7 | F707 S708 K710 | F707-L1332 WeakPolarHBondContact O-CD1 3.35Å; S708-L1332 PolarHBondContact O-N 2.53Å; K710-L1332 HydrophobicContact CB-CD1 4.26Å; K710-L1332 HydrophobicContact CB-CD2 3.98Å; K710-L1332 HydrophobicContact CB-CG 3.97Å |
| 1333 | C | 60.7 | Low | 65.6 | Low | 55 Ų | 55 | 61.1 Ų | 61.1 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | trans | -110.5 | 106.6 | 175.9 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | P1331 E1335 | P1331-C1333 VanDerWaalsContact C-N 3.27Å; P1331-C1333 PolarHBondContact O-N 2.74Å; C1333-E1335 PolarHBondContact O-N 2.85Å | ||
| 1334 | C | 45 | Very low | 64 | Low | 95 Ų | 95 | 64.8 Ų | 64.8 | 64% | 0.642 | 37% | 0.365 | S | S | * | . | trans | -83 | 103.5 | 173.3 | -57.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1335 | E | 49.4 | Very low | 62.3 | Low | 85 Ų | 85 | 64.2 Ų | 64.2 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 138.1 | -178.7 | -64.6 | -179.3 | -167.7 | 0 | 0 | 112.6 | C1333 N1384 K1388 | C1333-E1335 PolarHBondContact O-N 2.85Å; E1335-N1384 WeakPolarHBondContact OE1-CB 3.37Å; E1335-N1384 PolarHBondContact OE1-N 2.95Å; E1335-K1388 IonicContact OE1-NZ 2.8Å; E1335-K1388 WeakPolarHBondContact OE2-CE 3.15Å; E1335-K1388 IonicContact OE2-NZ 3.16Å; E1335-K1388 PolarHBondContact OE2-NZ 3.37Å |
| 1336 | T | 39.7 | Very low | 60.7 | Low | 71 Ų | 71 | 66.9 Ų | 66.9 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 132.4 | 171.5 | 67.9 | 0 | 0 | 0 | 0 | 110.3 | E1338 K1370 | T1336-E1338 PolarHBondContact O-N 3.05Å; T1336-K1370 HydrophobicContact CG2-CD 4.06Å; T1336-K1370 HydrophobicContact CG2-CG 4.24Å; T1336-K1370 PolarHBondContact OG1-NZ 3.48Å |
| 1337 | A | 39.7 | Very low | 59.1 | Low | 94 Ų | 94 | 71.9 Ų | 71.9 | 78% | 0.777 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -57 | 129.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K1370 | A1337-K1370 WeakPolarHBondContact O-CE 3.33Å; A1337-K1370 PolarHBondContact O-NZ 2.84Å |
| 1338 | E | 40 | Very low | 57.2 | Low | 95 Ų | 95 | 73.5 Ų | 73.5 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | trans | -121.2 | 92.9 | 177.8 | -78.9 | -174.6 | -176.8 | 0 | 0 | 109.3 | T1336 Y1340 K1370 K1378 | T1336-E1338 PolarHBondContact O-N 3.05Å; E1338-Y1340 VanDerWaalsContact C-N 3.33Å; E1338-Y1340 HydrophobicContact CB-CD2 4.13Å; E1338-Y1340 PolarHBondContact O-N 2.8Å; E1338-K1370 IonicContact OE1-NZ 2.69Å; E1338-K1370 PolarHBondContact OE1-NZ 2.87Å; E1338-K1378 IonicContact OE1-NZ 2.68Å; E1338-K1378 PolarHBondContact OE1-NZ 2.96Å; E1338-K1378 IonicContact OE2-NZ 3.36Å | ||
| 1339 | S | 39 | Very low | 55.3 | Low | 115 Ų | 115 | 75.2 Ų | 75.2 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | trans | -81.4 | 72.7 | 179.8 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1340 | Y | 43.7 | Very low | 53.5 | Low | 194 Ų | 194 | 84.3 Ų | 84.3 | 76% | 0.761 | 45% | 0.449 | S | S | * | . | trans | -95.8 | -1.8 | -179.3 | -91.2 | -65.6 | 0 | 0 | 0 | 115.1 | E1338 | E1338-Y1340 VanDerWaalsContact C-N 3.33Å; E1338-Y1340 HydrophobicContact CB-CD2 4.13Å; E1338-Y1340 PolarHBondContact O-N 2.8Å | ||
| 1341 | G | 48.5 | Very low | 51.9 | Low | 30 Ų | 30 | 88.8 Ų | 88.8 | 31% | 0.309 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -85.6 | -31.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1342 | D | 48.8 | Very low | 50.3 | Low | 93 Ų | 93 | 93.1 Ų | 93.1 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.2 | -34.1 | -159.6 | -65.3 | -31.7 | 0 | 0 | 0 | 114.4 | R1305 N1346 | R1305-D1342 IonicContact CZ-OD1 3.89Å; R1305-D1342 IonicContact NH2-OD1 3.51Å; R1305-D1342 PolarHBondContact NH2-OD1 3.49Å; D1342-N1346 WeakPolarHBondContact O-CB 3.2Å; D1342-N1346 PolarHBondContact O-N 3.09Å; D1342-N1346 PolarHBondContact O-ND2 2.91Å |
| 1343 | D | 52.5 | Low | 48.8 | Very low | 144 Ų | 144 | 91.7 Ų | 91.7 | 77% | 0.77 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73.4 | -37.6 | -177.3 | -79.4 | -39.8 | 0 | 0 | 0 | 113.5 | K1347 | D1343-K1347 WeakPolarHBondContact O-CB 3.24Å; D1343-K1347 PolarHBondContact O-N 2.81Å |
| 1344 | E | 54.1 | Low | 47.8 | Very low | 95 Ų | 95 | 90.9 Ų | 90.9 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 177 | -82.5 | -111.6 | 127.7 | 0 | 0 | 111.8 | K583 K1347 M1348 | K583-E1344 VanDerWaalsContact NZ-CD 3.28Å; K583-E1344 IonicContact NZ-OE1 3.4Å; K583-E1344 PolarHBondContact NZ-OE1 3.11Å; K583-E1344 VanDerWaalsContact NZ-OE1 3.11Å; K583-E1344 IonicContact NZ-OE2 3.56Å; K583-E1344 PolarHBondContact NZ-OE2 2.64Å; E1344-K1347 PolarHBondContact O-N 2.93Å; E1344-M1348 WeakPolarHBondContact O-CB 3.49Å; E1344-M1348 PolarHBondContact O-N 3.4Å |
| 1345 | D | 53.7 | Low | 47.4 | Very low | 14 Ų | 14 | 94.6 Ų | 94.6 | 8% | 0.075 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.5 | -73 | -30.7 | 0 | 0 | 0 | 111.8 | R591 R1305 K1347 M1348 E1349 | R591-D1345 IonicContact CZ-OD1 3.42Å; R591-D1345 IonicContact NH1-OD1 3.13Å; R591-D1345 PolarHBondContact NH1-OD1 3.19Å; R591-D1345 VanDerWaalsContact NH2-CG 3.33Å; R591-D1345 IonicContact NH2-OD1 3.94Å; R591-D1345 PolarHBondContact NH2-OD1 3.42Å; R591-D1345 IonicContact NH2-OD2 3.73Å; R591-D1345 PolarHBondContact NH2-OD2 2.8Å; R591-D1345 VanDerWaalsContact NH2-OD2 3.09Å; R1305-D1345 IonicContact CZ-OD2 3.79Å; R1305-D1345 IonicContact NH1-OD2 3.18Å; R1305-D1345 PolarHBondContact NH1-OD2 3.3Å; R1305-D1345 IonicContact NH2-OD2 2.74Å; D1345-K1347 VanDerWaalsContact C-N 3.3Å; D1345-K1347 PolarHBondContact O-N 3.08Å; D1345-M1348 PolarHBondContact O-N 3.33Å; D1345-E1349 WeakPolarHBondContact O-CB 3.38Å; D1345-E1349 PolarHBondContact O-N 3.17Å |
| 1346 | N | 54.5 | Low | 46.7 | Very low | 75 Ų | 75 | 97 Ų | 97 | 40% | 0.401 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -26.3 | 175.2 | -76.9 | -57.9 | 0 | 0 | 0 | 113.2 | D1342 | D1342-N1346 WeakPolarHBondContact O-CB 3.2Å; D1342-N1346 PolarHBondContact O-N 3.09Å; D1342-N1346 PolarHBondContact O-ND2 2.91Å |
| 1347 | K | 57.4 | Low | 46.3 | Very low | 105 Ų | 105 | 103.1 Ų | 103.1 | 46% | 0.457 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.4 | -49.5 | 173.7 | -178.8 | 177.9 | 176.5 | -69.3 | 0 | 111.2 | D1343 E1344 D1345 E1349 R1350 E1351 | D1343-K1347 WeakPolarHBondContact O-CB 3.24Å; D1343-K1347 PolarHBondContact O-N 2.81Å; E1344-K1347 PolarHBondContact O-N 2.93Å; D1345-K1347 VanDerWaalsContact C-N 3.3Å; D1345-K1347 PolarHBondContact O-N 3.08Å; K1347-E1349 PolarHBondContact O-N 3.33Å; K1347-R1350 PolarHBondContact O-N 3Å; K1347-R1350 VanDerWaalsContact O-N 3.14Å; K1347-E1351 WeakPolarHBondContact CE-OE1 3.47Å; K1347-E1351 VanDerWaalsContact NZ-CD 3.28Å; K1347-E1351 IonicContact NZ-OE1 2.81Å; K1347-E1351 PolarHBondContact NZ-OE1 3.41Å; K1347-E1351 IonicContact NZ-OE2 2.65Å; K1347-E1351 PolarHBondContact NZ-OE2 3.41Å; K1347-E1351 VanDerWaalsContact NZ-OE2 3.11Å; K1347-E1351 PolarHBondContact O-N 3.09Å |
| 1348 | M | 51.3 | Low | 45.7 | Very low | 38 Ų | 38 | 103.4 Ų | 103.4 | 19% | 0.187 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -58.1 | -36.8 | 178.1 | -167.1 | 92.9 | 73.3 | 0 | 0 | 111.5 | P586 E1344 D1345 R1350 E1351 L1352 | P586-M1348 HydrophobicContact CG-CG 4.17Å; E1344-M1348 WeakPolarHBondContact O-CB 3.49Å; E1344-M1348 PolarHBondContact O-N 3.4Å; D1345-M1348 PolarHBondContact O-N 3.33Å; M1348-R1350 PolarHBondContact O-N 3.27Å; M1348-E1351 PolarHBondContact O-N 2.94Å; M1348-L1352 HydrophobicContact CG-CD1 3.86Å; M1348-L1352 PolarHBondContact O-N 3.39Å; M1348-L1352 HydrophobicContact SD-CD1 4.37Å |
| 1349 | E | 49.4 | Very low | 45.1 | Very low | 37 Ų | 37 | 107 Ų | 107 | 17% | 0.173 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 177.2 | -173.9 | 167.6 | -159.2 | 0 | 0 | 113.1 | K1302 D1345 K1347 M1353 | K1302-E1349 IonicContact NZ-OE1 2.75Å; K1302-E1349 PolarHBondContact NZ-OE1 2.78Å; K1302-E1349 IonicContact NZ-OE2 2.7Å; K1302-E1349 PolarHBondContact NZ-OE2 2.88Å; D1345-E1349 WeakPolarHBondContact O-CB 3.38Å; D1345-E1349 PolarHBondContact O-N 3.17Å; K1347-E1349 PolarHBondContact O-N 3.33Å; E1349-M1353 HydrophobicContact CG-CG 4.09Å; E1349-M1353 WeakPolarHBondContact O-CB 3.39Å; E1349-M1353 WeakPolarHBondContact O-CG 3.04Å; E1349-M1353 PolarHBondContact O-N 3.34Å |
| 1350 | R | 52.7 | Low | 44.4 | Very low | 190 Ų | 190 | 106.8 Ų | 106.8 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.3 | -38.9 | 174.5 | -60.3 | -179.5 | -158.9 | 161 | 8.4 | 111.6 | K1347 M1348 G1354 | K1347-R1350 PolarHBondContact O-N 3Å; K1347-R1350 VanDerWaalsContact O-N 3.14Å; M1348-R1350 PolarHBondContact O-N 3.27Å; R1350-G1354 PolarHBondContact O-N 3.5Å |
| 1351 | E | 53.4 | Low | 43.6 | Very low | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.8 | -31.5 | -178.3 | -70.5 | 173.1 | 172 | 0 | 0 | 112.4 | K1347 M1348 | K1347-E1351 WeakPolarHBondContact CE-OE1 3.47Å; K1347-E1351 VanDerWaalsContact NZ-CD 3.28Å; K1347-E1351 IonicContact NZ-OE1 2.81Å; K1347-E1351 PolarHBondContact NZ-OE1 3.41Å; K1347-E1351 IonicContact NZ-OE2 2.65Å; K1347-E1351 PolarHBondContact NZ-OE2 3.41Å; K1347-E1351 VanDerWaalsContact NZ-OE2 3.11Å; K1347-E1351 PolarHBondContact O-N 3.09Å; M1348-E1351 PolarHBondContact O-N 2.94Å |
| 1352 | L | 48.2 | Very low | 42.4 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 58% | 0.581 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -82.3 | -39 | 172.2 | -95.4 | 83.5 | 0 | 0 | 0 | 114.3 | L585 M1348 | L585-L1352 HydrophobicContact CD2-CD1 4.48Å; M1348-L1352 HydrophobicContact CG-CD1 3.86Å; M1348-L1352 PolarHBondContact O-N 3.39Å; M1348-L1352 HydrophobicContact SD-CD1 4.37Å |
| 1353 | M | 43.9 | Very low | 41.2 | Very low | 64 Ų | 64 | 111.8 Ų | 111.8 | 32% | 0.315 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -88.1 | -22.8 | -167.8 | -67.2 | -73.9 | -156.4 | 0 | 0 | 114.6 | E1349 | E1349-M1353 HydrophobicContact CG-CG 4.09Å; E1349-M1353 WeakPolarHBondContact O-CB 3.39Å; E1349-M1353 WeakPolarHBondContact O-CG 3.04Å; E1349-M1353 PolarHBondContact O-N 3.34Å |
| 1354 | G | 40.1 | Very low | 39.8 | Very low | 39 Ų | 39 | 110.2 Ų | 110.2 | 40% | 0.402 | 58% | 0.578 | S | S | . | * | trans | 72.1 | 177.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1350 L1356 | R1350-G1354 PolarHBondContact O-N 3.5Å; G1354-L1356 PolarHBondContact O-N 2.85Å | ||
| 1355 | D | 35.7 | Very low | 38.4 | Very low | 173 Ų | 173 | 113 Ų | 113 | 93% | 0.925 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -72.8 | 27.8 | -167.2 | -54 | -60.1 | 0 | 0 | 0 | 115.9 | E1357 | D1355-E1357 PolarHBondContact O-N 3.22Š|
| 1356 | L | 35.4 | Very low | 36.9 | Very low | 134 Ų | 134 | 118.2 Ų | 118.2 | 70% | 0.702 | 63% | 0.627 | S | S | * | * | trans | -84.7 | 107.9 | 172.1 | -80.9 | 165.7 | 0 | 0 | 0 | 109.9 | G1354 V1358 | G1354-L1356 PolarHBondContact O-N 2.85Å; L1356-V1358 PolarHBondContact O-N 3.44Å | ||
| 1357 | E | 30.1 | Very low | 35.4 | Very low | 200 Ų | 200 | 120.4 Ų | 120.4 | 94% | 0.935 | 65% | 0.645 | S | S | * | * | trans | -50.1 | 124 | -172 | -61.4 | -177.5 | 145.2 | 0 | 0 | 113.7 | D1355 | D1355-E1357 PolarHBondContact O-N 3.22Š| ||
| 1358 | V | 27.4 | Very low | 33.8 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 61% | 0.606 | 66% | 0.662 | S | S | * | * | trans | -128.7 | 123.3 | 167 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | L1356 | L1356-V1358 PolarHBondContact O-N 3.44Š| ||
| 1359 | E | 26.4 | Very low | 32.7 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | -63.6 | 127.7 | -177.9 | -68.9 | -168.5 | 135.2 | 0 | 0 | 111.9 | L1361 | E1359-L1361 PolarHBondContact O-N 2.83Å; E1359-L1361 VanDerWaalsContact O-N 3.09Å | ||
| 1360 | P | 24.6 | Very low | 31.6 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 71% | 0.705 | S | S | * | * | trans | -76.5 | 97.6 | 174.5 | 30.5 | -32.9 | 0 | 0 | 0 | 110.2 | N1362 | P1360-N1362 PolarHBondContact O-N 2.98Š| ||
| 1361 | L | 27.1 | Very low | 30.5 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | trans | -65.2 | 105.6 | 170 | -84.8 | 104 | 0 | 0 | 0 | 110.7 | E1359 V1363 | E1359-L1361 PolarHBondContact O-N 2.83Å; E1359-L1361 VanDerWaalsContact O-N 3.09Å; L1361-V1363 PolarHBondContact O-N 2.9Å | ||
| 1362 | N | 23.7 | Very low | 29.3 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | trans | -57.3 | 118.6 | 174 | -80.6 | -37.7 | 0 | 0 | 0 | 111.8 | P1360 | P1360-N1362 PolarHBondContact O-N 2.98Š| ||
| 1363 | V | 24.5 | Very low | 28.5 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -96.4 | 110.8 | 166.2 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | L1361 L1365 | L1361-V1363 PolarHBondContact O-N 2.9Å; V1363-L1365 HydrophobicContact CG1-CG 4.38Å | ||
| 1364 | S | 22.3 | Very low | 28.3 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -92.3 | 116.7 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1365 | L | 25.1 | Very low | 28.5 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | -122.9 | 142.7 | 168.3 | -73.4 | 173.7 | 0 | 0 | 0 | 110.6 | V1363 | V1363-L1365 HydrophobicContact CG1-CG 4.38Š| ||
| 1366 | V | 22.4 | Very low | 29 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -86 | 127.4 | -168.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1367 | P | 22.8 | Very low | 29.4 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -74.2 | 130.5 | 176.7 | 29.9 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 1368 | V | 24.1 | Very low | 29.9 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | trans | -105.1 | 137.7 | 170.1 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | K1370 | V1368-K1370 PolarHBondContact O-N 3.07Š| ||
| 1369 | S | 26.7 | Very low | 30.6 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -69.8 | 122.2 | -167.6 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1370 | K | 27 | Very low | 31.3 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 49% | 0.487 | 73% | 0.726 | S | S | . | * | trans | -69.8 | 139.7 | 164.6 | -61.7 | -168.9 | -179.3 | -156.3 | 0 | 110.6 | T1336 A1337 E1338 V1368 | T1336-K1370 HydrophobicContact CG2-CD 4.06Å; T1336-K1370 HydrophobicContact CG2-CG 4.24Å; T1336-K1370 PolarHBondContact OG1-NZ 3.48Å; A1337-K1370 WeakPolarHBondContact O-CE 3.33Å; A1337-K1370 PolarHBondContact O-NZ 2.84Å; E1338-K1370 IonicContact OE1-NZ 2.69Å; E1338-K1370 PolarHBondContact OE1-NZ 2.87Å; V1368-K1370 PolarHBondContact O-N 3.07Å | ||
| 1371 | N | 28.6 | Very low | 32.1 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | -163.5 | 148 | 157 | -117.7 | -33.1 | 0 | 0 | 0 | 111.4 | ||||
| 1372 | W | 29.3 | Very low | 33 | Very low | 240 Ų | 240 | 132.1 Ų | 132.1 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | 74.1 | 93 | 171.9 | -60.3 | 25.5 | 0 | 0 | 0 | 117.7 | ||||
| 1373 | I | 31.2 | Very low | 34.4 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 70% | 0.697 | 69% | 0.687 | S | S | * | * | trans | -168.2 | 151.1 | 139.7 | -95.6 | 151.1 | 0 | 0 | 0 | 106.3 | ||||
| 1374 | S | 40.1 | Very low | 36.5 | Very low | 65 Ų | 65 | 122.8 Ų | 122.8 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | trans | -83.9 | 152 | 178.8 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | E1376 L1377 | S1374-E1376 VanDerWaalsContact C-N 3.28Å; S1374-E1376 PolarHBondContact O-N 2.77Å; S1374-L1377 PolarHBondContact O-N 3.13Å | ||
| 1375 | E | 44.4 | Very low | 39.1 | Very low | 179 Ų | 179 | 122.4 Ų | 122.4 | 84% | 0.836 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -63 | -31.4 | -174.2 | -65.8 | 176.7 | 121.2 | 0 | 0 | 113.4 | L1377 K1378 | E1375-L1377 PolarHBondContact O-N 3.25Å; E1375-K1378 PolarHBondContact O-N 3.45Å |
| 1376 | E | 45.8 | Very low | 41.8 | Very low | 166 Ų | 166 | 116.4 Ų | 116.4 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -60 | -14.5 | -176.7 | -60.7 | 174.1 | 138.7 | 0 | 0 | 114.8 | S1374 | S1374-E1376 VanDerWaalsContact C-N 3.28Å; S1374-E1376 PolarHBondContact O-N 2.77Å |
| 1377 | L | 43.2 | Very low | 44.5 | Very low | 87 Ų | 87 | 111.6 Ų | 111.6 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -93.7 | -10.7 | 178 | -80.3 | 163 | 0 | 0 | 0 | 114.3 | S1374 E1375 I1381 | S1374-L1377 PolarHBondContact O-N 3.13Å; E1375-L1377 PolarHBondContact O-N 3.25Å; L1377-I1381 HydrophobicContact CD2-CD1 4.43Å |
| 1378 | K | 41.9 | Very low | 47.4 | Very low | 128 Ų | 128 | 108 Ų | 108 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -34.5 | -176.3 | -88.2 | -160.4 | 165.5 | -158.8 | 0 | 113.8 | E1338 E1375 | E1338-K1378 IonicContact OE1-NZ 2.68Å; E1338-K1378 PolarHBondContact OE1-NZ 2.96Å; E1338-K1378 IonicContact OE2-NZ 3.36Å; E1375-K1378 PolarHBondContact O-N 3.45Å |
| 1379 | D | 40.5 | Very low | 50.3 | Low | 161 Ų | 161 | 102.1 Ų | 102.1 | 86% | 0.861 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.1 | -172.3 | -64.5 | -22.2 | 0 | 0 | 0 | 114.2 | ||
| 1380 | I | 43 | Very low | 53.1 | Low | 128 Ų | 128 | 98.8 Ų | 98.8 | 66% | 0.656 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -17.6 | -170.4 | -59.7 | 176.9 | 0 | 0 | 0 | 112.2 | ||
| 1381 | I | 40 | Very low | 55.9 | Low | 74 Ų | 74 | 93.7 Ų | 93.7 | 38% | 0.379 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -110.4 | 114.5 | -168.1 | -54.1 | 177.5 | 0 | 0 | 0 | 109.2 | L1377 | L1377-I1381 HydrophobicContact CD2-CD1 4.43Š|
| 1382 | P | 45.6 | Very low | 58.7 | Low | 111 Ų | 111 | 87.3 Ų | 87.3 | 72% | 0.721 | 44% | 0.443 | S | S | * | . | trans | -60.5 | 149.1 | 174.3 | -21.6 | 33.1 | 0 | 0 | 0 | 111.8 | N1384 | P1382-N1384 PolarHBondContact O-N 2.85Š| ||
| 1383 | D | 54.4 | Low | 61.4 | Low | 73 Ų | 73 | 75.9 Ų | 75.9 | 39% | 0.39 | 40% | 0.399 | S | S | . | . | trans | -44.8 | 125.4 | 174.3 | -97.5 | -65.5 | 0 | 0 | 0 | 110.9 | H594 L1385 K1388 | H594-D1383 IonicContact CE1-OD1 3.45Å; H594-D1383 IonicContact CE1-OD2 3.8Å; H594-D1383 PolarHBondContact CE1-OD2 3.48Å; H594-D1383 VanDerWaalsContact CE1-OD2 3.27Å; H594-D1383 IonicContact ND1-OD1 3.83Å; H594-D1383 IonicContact ND1-OD2 2.76Å; H594-D1383 IonicContact NE2-OD2 2.76Å; D1383-L1385 PolarHBondContact O-N 3.28Å; D1383-K1388 IonicContact OD1-NZ 3.25Å; D1383-K1388 PolarHBondContact OD1-NZ 2.79Å | ||
| 1384 | N | 67.5 | Low | 64.2 | Low | 17 Ų | 17 | 72 Ų | 72 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | trans | -70.9 | 85.8 | -167.4 | -175.9 | -13.7 | 0 | 0 | 0 | 112.9 | P1331 E1335 P1382 F1386 T1387 K1388 | P1331-N1384 VanDerWaalsContact CB-ND2 3.34Å; P1331-N1384 WeakPolarHBondContact CB-ND2 3.44Å; E1335-N1384 WeakPolarHBondContact OE1-CB 3.37Å; E1335-N1384 PolarHBondContact OE1-N 2.95Å; P1382-N1384 PolarHBondContact O-N 2.85Å; N1384-F1386 PolarHBondContact O-N 3.09Å; N1384-F1386 WeakPolarHBondContact OD1-CB 3.22Å; N1384-F1386 PolarHBondContact OD1-N 3.23Å; N1384-T1387 PolarHBondContact O-N 2.67Å; N1384-T1387 PolarHBondContact O-OG1 3.15Å; N1384-K1388 PolarHBondContact O-N 2.85Å | ||
| 1385 | L | 76.9 | Confident | 66.6 | Low | 102 Ų | 102 | 70 Ų | 70 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -18.8 | -177.7 | -64.2 | -179.5 | 0 | 0 | 0 | 114.5 | K597 N1323 D1383 T1387 | K597-L1385 PolarHBondContact NZ-O 3.07Å; N1323-L1385 HydrophobicContact CB-CB 4.16Å; D1383-L1385 PolarHBondContact O-N 3.28Å; L1385-T1387 VanDerWaalsContact C-N 3.32Å |
| 1386 | F | 81.6 | Confident | 68.9 | Low | 27 Ų | 27 | 61.5 Ų | 61.5 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -29 | 173.1 | -58.7 | -76.8 | 0 | 0 | 0 | 112.6 | I709 W1324 L1325 N1384 | I709-F1386 HydrophobicContact CG2-CD2 4.11Å; I709-F1386 HydrophobicContact CG2-CE2 4.11Å; I709-F1386 HydrophobicContact CG2-CG 4.33Å; I709-F1386 HydrophobicContact CG2-CZ 4.32Å; W1324-F1386 VanDerWaalsContact O-CD1 3.32Å; W1324-F1386 WeakPolarHBondContact O-CD1 3.47Å; L1325-F1386 HydrophobicContact CD1-CB 3.94Å; L1325-F1386 HydrophobicContact CD1-CG 4.32Å; N1384-F1386 PolarHBondContact O-N 3.09Å; N1384-F1386 WeakPolarHBondContact OD1-CB 3.22Å; N1384-F1386 PolarHBondContact OD1-N 3.23Å |
| 1387 | T | 80.8 | Confident | 71.1 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -18.9 | -174.8 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | R596 K597 P1331 N1384 L1385 | R596-T1387 CarbonylContact C-O 3.58Å; R596-T1387 WeakPolarHBondContact CA-O 3.37Å; R596-T1387 WeakPolarHBondContact CG-O 3.45Å; K597-T1387 PolarHBondContact N-O 2.93Å; P1331-T1387 HydrophobicContact CG-CG2 3.93Å; N1384-T1387 PolarHBondContact O-N 2.67Å; N1384-T1387 PolarHBondContact O-OG1 3.15Å; L1385-T1387 VanDerWaalsContact C-N 3.32Å |
| 1388 | K | 83.1 | Confident | 73.6 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 161.5 | 178.6 | -79.2 | 168.7 | 157.5 | 176.7 | 0 | 112.4 | Y595 K597 E1335 D1383 N1384 | Y595-K1388 CarbonylContact O-C 3.58Å; Y595-K1388 WeakPolarHBondContact O-CA 3.34Å; K597-K1388 VanDerWaalsContact CE-O 3.29Å; K597-K1388 WeakPolarHBondContact CE-O 3.44Å; E1335-K1388 IonicContact OE1-NZ 2.8Å; E1335-K1388 WeakPolarHBondContact OE2-CE 3.15Å; E1335-K1388 IonicContact OE2-NZ 3.16Å; E1335-K1388 PolarHBondContact OE2-NZ 3.37Å; D1383-K1388 IonicContact OD1-NZ 3.25Å; D1383-K1388 PolarHBondContact OD1-NZ 2.79Å; N1384-K1388 PolarHBondContact O-N 2.85Å |
| 1389 | Q | 85.1 | Confident | 76.1 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.5 | 163.1 | 60.7 | -178.2 | -6.4 | 0 | 0 | 111 | H594 Y595 K597 G1310 M1313 L1391 | H594-Q1389 WeakPolarHBondContact CA-O 3.45Å; Y595-Q1389 PolarHBondContact N-O 3.35Å; Y595-Q1389 PolarHBondContact O-N 3.48Å; K597-Q1389 HydrophobicContact CG-CB 4.45Å; K597-Q1389 HydrophobicContact CG-CG 4.37Å; G1310-Q1389 PolarHBondContact O-NE2 2.84Å; M1313-Q1389 PolarHBondContact O-NE2 3.2Å; M1313-Q1389 PolarHBondContact O-OE1 3.37Å; Q1389-L1391 HydrophobicContact CG-CD1 4.48Å; Q1389-L1391 HydrophobicContact CG-CG 4.25Å |
| 1390 | A | 84.7 | Confident | 78.7 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 100.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1391 | L | 86.7 | Confident | 81.3 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 150 | 176.8 | -65.9 | 172.1 | 0 | 0 | 0 | 110.2 | K592 Q593 Y595 G1310 M1313 Q1389 I1396 | K592-L1391 CarbonylContact C-O 3.55Å; K592-L1391 VanDerWaalsContact CA-O 3.23Å; K592-L1391 WeakPolarHBondContact CA-O 3.47Å; Q593-L1391 PolarHBondContact N-O 2.96Å; Q593-L1391 PolarHBondContact O-N 3.23Å; Y595-L1391 HydrophobicContact CD2-CB 3.95Å; Y595-L1391 HydrophobicContact CD2-CD1 3.84Å; Y595-L1391 HydrophobicContact CD2-CG 4.18Å; Y595-L1391 HydrophobicContact CE2-CB 4.09Å; Y595-L1391 HydrophobicContact CE2-CD1 4.38Å; Y595-L1391 HydrophobicContact CG-CD1 4.31Å; G1310-L1391 VanDerWaalsContact O-CD1 3.29Å; G1310-L1391 WeakPolarHBondContact O-CD1 3.48Å; M1313-L1391 HydrophobicContact CB-CD1 3.99Å; M1313-L1391 HydrophobicContact CE-CD2 4.26Å; M1313-L1391 HydrophobicContact SD-CD1 3.96Å; Q1389-L1391 HydrophobicContact CG-CD1 4.48Å; Q1389-L1391 HydrophobicContact CG-CG 4.25Å; L1391-I1396 HydrophobicContact CD1-CG1 4.46Å |
| 1392 | S | 87.9 | Confident | 83.9 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 153.3 | 167.2 | 87.4 | 0 | 0 | 0 | 0 | 110.9 | S589 R591 K1394 S1395 | S589-S1392 WeakPolarHBondContact O-CB 3.33Å; R591-S1392 CarbonylContact O-C 3.46Å; R591-S1392 WeakPolarHBondContact O-CA 3.33Å; S1392-K1394 VanDerWaalsContact C-N 3.3Å; S1392-K1394 PolarHBondContact O-N 3.01Å; S1392-S1395 WeakPolarHBondContact O-CB 3.33Å; S1392-S1395 PolarHBondContact O-N 3.17Å; S1392-S1395 PolarHBondContact OG-N 3.17Å; S1392-S1395 VanDerWaalsContact OG-N 3.08Å; S1392-S1395 PolarHBondContact OG-OG 3.21Å |
| 1393 | D | 85.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 176.6 | -70.5 | 0.6 | 0 | 0 | 0 | 111.5 | G587 R591 Q593 Y1301 S1395 I1396 | G587-D1393 VanDerWaalsContact CA-CB 3.48Å; G587-D1393 VanDerWaalsContact N-CB 3.32Å; G587-D1393 PolarHBondContact N-OD2 3.17Å; R591-D1393 WeakPolarHBondContact CD-OD2 3.44Å; R591-D1393 WeakPolarHBondContact CG-OD2 3.21Å; R591-D1393 IonicContact CZ-OD2 3.42Å; R591-D1393 IonicContact NE-OD2 2.63Å; R591-D1393 PolarHBondContact NE-OD2 2.99Å; R591-D1393 PolarHBondContact O-N 2.93Å; Q593-D1393 WeakPolarHBondContact CG-OD1 3.46Å; Q593-D1393 VanDerWaalsContact NE2-CG 3.3Å; Q593-D1393 PolarHBondContact NE2-OD1 3.09Å; Q593-D1393 PolarHBondContact NE2-OD2 2.79Å; Q593-D1393 VanDerWaalsContact NE2-OD2 3.13Å; Y1301-D1393 HydrophobicContact CD2-CB 3.62Å; Y1301-D1393 WeakPolarHBondContact CD2-O 3.48Å; Y1301-D1393 HydrophobicContact CE2-CB 3.8Å; Y1301-D1393 WeakPolarHBondContact CE2-OD1 3.44Å; Y1301-D1393 HydrophobicContact CG-CB 4.07Å; D1393-S1395 PolarHBondContact O-N 2.98Å; D1393-I1396 PolarHBondContact O-N 2.76Å |
| 1394 | K | 88.8 | Confident | 88.2 | Confident | 54 Ų | 54 | 18.7 Ų | 18.7 | 24% | 0.235 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 173.8 | 172.6 | 165.7 | 158.8 | 64.3 | 0 | 110.8 | G587 E1260 S1392 I1396 A1397 D1398 | G587-K1394 PolarHBondContact O-N 2.7Å; E1260-K1394 IonicContact OE1-NZ 2.64Å; E1260-K1394 PolarHBondContact OE1-NZ 2.75Å; S1392-K1394 VanDerWaalsContact C-N 3.3Å; S1392-K1394 PolarHBondContact O-N 3.01Å; K1394-I1396 PolarHBondContact O-N 2.68Å; K1394-A1397 WeakPolarHBondContact O-CA 3.39Å; K1394-A1397 VanDerWaalsContact O-CB 3.25Å; K1394-A1397 WeakPolarHBondContact O-CB 3.4Å; K1394-A1397 PolarHBondContact O-N 3.06Å; K1394-D1398 VanDerWaalsContact CE-OD1 3.27Å; K1394-D1398 WeakPolarHBondContact CE-OD1 3.42Å; K1394-D1398 WeakPolarHBondContact CG-OD1 3.29Å; K1394-D1398 WeakPolarHBondContact CG-OD2 3.22Å; K1394-D1398 VanDerWaalsContact NZ-CG 3.33Å; K1394-D1398 IonicContact NZ-OD1 3.18Å; K1394-D1398 PolarHBondContact NZ-OD1 2.95Å; K1394-D1398 IonicContact NZ-OD2 2.9Å; K1394-D1398 PolarHBondContact O-N 3.17Å |
| 1395 | S | 91.4 | Very high | 89.4 | Confident | 24 Ų | 24 | 17.9 Ų | 17.9 | 17% | 0.168 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -54.4 | -24.9 | -178.3 | -53.8 | 0 | 0 | 0 | 0 | 114.8 | M1313 S1392 D1393 D1398 C1399 | M1313-S1395 VanDerWaalsContact CE-O 3.28Å; M1313-S1395 WeakPolarHBondContact CE-O 3.22Å; S1392-S1395 WeakPolarHBondContact O-CB 3.33Å; S1392-S1395 PolarHBondContact O-N 3.17Å; S1392-S1395 PolarHBondContact OG-N 3.17Å; S1392-S1395 VanDerWaalsContact OG-N 3.08Å; S1392-S1395 PolarHBondContact OG-OG 3.21Å; D1393-S1395 PolarHBondContact O-N 2.98Å; S1395-D1398 WeakPolarHBondContact CA-OD2 3.5Å; S1395-C1399 VanDerWaalsContact O-CB 3.29Å; S1395-C1399 WeakPolarHBondContact O-CB 3.32Å; S1395-C1399 PolarHBondContact O-N 2.99Å; S1395-C1399 VanDerWaalsContact O-N 3.13Å |
| 1396 | I | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -81.1 | -30.7 | 175 | -66 | 171.1 | 0 | 0 | 0 | 112 | Y595 Y1301 M1313 L1391 D1393 K1394 V1400 | Y595-I1396 HydrophobicContact CD2-CD1 4.48Å; Y595-I1396 HydrophobicContact CE1-CD1 4.12Å; Y595-I1396 HydrophobicContact CE2-CD1 3.58Å; Y595-I1396 VanDerWaalsContact OH-CD1 3.23Å; Y595-I1396 WeakPolarHBondContact OH-CD1 3.37Å; Y1301-I1396 HydrophobicContact CD2-CB 4.18Å; Y1301-I1396 HydrophobicContact CD2-CD1 4.32Å; Y1301-I1396 HydrophobicContact CD2-CG2 4.38Å; Y1301-I1396 HydrophobicContact CE2-CD1 4.21Å; M1313-I1396 HydrophobicContact SD-CG1 3.85Å; L1391-I1396 HydrophobicContact CD1-CG1 4.46Å; D1393-I1396 PolarHBondContact O-N 2.76Å; K1394-I1396 PolarHBondContact O-N 2.68Å; I1396-V1400 WeakPolarHBondContact O-CG2 3.27Å; I1396-V1400 PolarHBondContact O-N 2.61Å; I1396-V1400 VanDerWaalsContact O-N 3.13Å |
| 1397 | A | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.8 | -48.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1300 K1394 C1399 V1400 E1401 | L1300-A1397 HydrophobicContact CB-CB 3.68Å; K1394-A1397 WeakPolarHBondContact O-CA 3.39Å; K1394-A1397 VanDerWaalsContact O-CB 3.25Å; K1394-A1397 WeakPolarHBondContact O-CB 3.4Å; K1394-A1397 PolarHBondContact O-N 3.06Å; A1397-C1399 VanDerWaalsContact C-N 3.26Å; A1397-C1399 PolarHBondContact O-N 3.45Å; A1397-V1400 WeakPolarHBondContact O-CA 3.39Å; A1397-V1400 WeakPolarHBondContact O-CB 3.37Å; A1397-V1400 PolarHBondContact O-N 3.5Å; A1397-E1401 PolarHBondContact O-N 3.34Å |
| 1398 | D | 94.3 | Very high | 91 | Very high | 18 Ų | 18 | 10.7 Ų | 10.7 | 10% | 0.096 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.1 | -44.2 | 178.8 | -46.9 | -8.6 | 0 | 0 | 0 | 110.9 | L1256 E1260 K1394 S1395 E1401 A1402 | L1256-D1398 HydrophobicContact CD1-CB 3.73Å; E1260-D1398 HydrophobicContact CG-CB 4.26Å; K1394-D1398 VanDerWaalsContact CE-OD1 3.27Å; K1394-D1398 WeakPolarHBondContact CE-OD1 3.42Å; K1394-D1398 WeakPolarHBondContact CG-OD1 3.29Å; K1394-D1398 WeakPolarHBondContact CG-OD2 3.22Å; K1394-D1398 VanDerWaalsContact NZ-CG 3.33Å; K1394-D1398 IonicContact NZ-OD1 3.18Å; K1394-D1398 PolarHBondContact NZ-OD1 2.95Å; K1394-D1398 IonicContact NZ-OD2 2.9Å; K1394-D1398 PolarHBondContact O-N 3.17Å; S1395-D1398 WeakPolarHBondContact CA-OD2 3.5Å; D1398-E1401 PolarHBondContact O-N 2.94Å; D1398-A1402 WeakPolarHBondContact O-CB 3.44Å; D1398-A1402 PolarHBondContact O-N 3.49Å |
| 1399 | C | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.9 | -35.3 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 113.4 | A1244 L1256 M1313 S1395 A1397 L1403 | A1244-C1399 PolarHBondContact O-SG 3.33Å; L1256-C1399 HydrophobicContact CD2-CB 4.08Å; M1313-C1399 HydrophobicContact CE-CB 3.71Å; M1313-C1399 HydrophobicContact CG-CB 4.22Å; M1313-C1399 HydrophobicContact SD-CB 3.65Å; S1395-C1399 VanDerWaalsContact O-CB 3.29Å; S1395-C1399 WeakPolarHBondContact O-CB 3.32Å; S1395-C1399 PolarHBondContact O-N 2.99Å; S1395-C1399 VanDerWaalsContact O-N 3.13Å; A1397-C1399 VanDerWaalsContact C-N 3.26Å; A1397-C1399 PolarHBondContact O-N 3.45Å; C1399-L1403 WeakPolarHBondContact O-CB 3.46Å; C1399-L1403 WeakPolarHBondContact O-CD1 3.29Å; C1399-L1403 VanDerWaalsContact O-CG 3.22Å; C1399-L1403 WeakPolarHBondContact O-CG 3.45Å; C1399-L1403 PolarHBondContact O-N 2.92Å |
| 1400 | V | 95.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 172.9 | 160.9 | 0 | 0 | 0 | 0 | 110.7 | L1300 I1309 I1396 A1397 L1403 I1404 L1423 | L1300-V1400 HydrophobicContact CB-CG1 4.49Å; L1300-V1400 HydrophobicContact CD2-CG1 4.32Å; I1309-V1400 HydrophobicContact CD1-CG2 3.75Å; I1396-V1400 WeakPolarHBondContact O-CG2 3.27Å; I1396-V1400 PolarHBondContact O-N 2.61Å; I1396-V1400 VanDerWaalsContact O-N 3.13Å; A1397-V1400 WeakPolarHBondContact O-CA 3.39Å; A1397-V1400 WeakPolarHBondContact O-CB 3.37Å; A1397-V1400 PolarHBondContact O-N 3.5Å; V1400-L1403 PolarHBondContact O-N 3.39Å; V1400-I1404 HydrophobicContact CG1-CD1 4.4Å; V1400-I1404 WeakPolarHBondContact O-CG1 3.46Å; V1400-I1404 PolarHBondContact O-N 3.06Å; V1400-I1404 VanDerWaalsContact O-N 3.13Å; V1400-L1423 HydrophobicContact CG1-CD1 3.73Å; V1400-L1423 HydrophobicContact CG1-CD2 4.4Å; V1400-L1423 HydrophobicContact CG2-CD2 4.32Å |
| 1401 | E | 95.7 | Very high | 91 | Very high | 8 Ų | 8 | 10 Ų | 10 | 4% | 0.037 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.8 | -44.6 | 176.4 | -64.4 | -177.8 | 135.5 | 0 | 0 | 111.1 | E1260 G1263 L1267 L1300 A1397 D1398 L1403 I1404 G1405 | E1260-E1401 HydrophobicContact CG-CB 4.4Å; G1263-E1401 WeakPolarHBondContact CA-O 3.4Å; L1267-E1401 HydrophobicContact CD2-CG 4.43Å; L1300-E1401 HydrophobicContact CD1-CG 3.79Å; L1300-E1401 VanDerWaalsContact CD1-OE1 3.31Å; L1300-E1401 WeakPolarHBondContact CD1-OE1 3.33Å; A1397-E1401 PolarHBondContact O-N 3.34Å; D1398-E1401 PolarHBondContact O-N 2.94Å; E1401-L1403 VanDerWaalsContact C-N 3.3Å; E1401-L1403 PolarHBondContact O-N 3.19Å; E1401-I1404 WeakPolarHBondContact O-CA 3.28Å; E1401-I1404 VanDerWaalsContact O-CB 3.31Å; E1401-I1404 WeakPolarHBondContact O-CB 3.42Å; E1401-I1404 PolarHBondContact O-N 2.88Å; E1401-G1405 PolarHBondContact O-N 3.35Å |
| 1402 | A | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.5 | -37.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1244 L1256 L1259 D1398 I1404 G1405 S1406 | A1244-A1402 HydrophobicContact CB-CB 3.88Å; L1256-A1402 HydrophobicContact CB-CB 3.68Å; L1256-A1402 HydrophobicContact CD1-CB 4.4Å; L1259-A1402 HydrophobicContact CB-CB 3.77Å; D1398-A1402 WeakPolarHBondContact O-CB 3.44Å; D1398-A1402 PolarHBondContact O-N 3.49Å; A1402-I1404 VanDerWaalsContact C-N 3.34Å; A1402-G1405 PolarHBondContact O-N 3.37Å; A1402-S1406 WeakPolarHBondContact O-CB 3.48Å; A1402-S1406 PolarHBondContact O-N 3.06Å |
| 1403 | L | 95.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.7 | -35.9 | 173.2 | -73.5 | 165.1 | 0 | 0 | 0 | 111.6 | L909 I1241 A1244 I1309 C1399 V1400 E1401 S1406 F1407 F1419 | L909-L1403 HydrophobicContact CD2-CD1 4.26Å; L909-L1403 HydrophobicContact CD2-CD2 4.2Å; I1241-L1403 HydrophobicContact CD1-CD2 3.77Å; I1241-L1403 HydrophobicContact CG2-CD2 4.14Å; A1244-L1403 HydrophobicContact CB-CD2 3.79Å; A1244-L1403 HydrophobicContact CB-CG 3.97Å; I1309-L1403 HydrophobicContact CD1-CD1 4.02Å; I1309-L1403 HydrophobicContact CG2-CD1 4.18Å; C1399-L1403 WeakPolarHBondContact O-CB 3.46Å; C1399-L1403 WeakPolarHBondContact O-CD1 3.29Å; C1399-L1403 VanDerWaalsContact O-CG 3.22Å; C1399-L1403 WeakPolarHBondContact O-CG 3.45Å; C1399-L1403 PolarHBondContact O-N 2.92Å; V1400-L1403 PolarHBondContact O-N 3.39Å; E1401-L1403 VanDerWaalsContact C-N 3.3Å; E1401-L1403 PolarHBondContact O-N 3.19Å; L1403-S1406 PolarHBondContact O-N 3.02Å; L1403-F1407 WeakPolarHBondContact O-CD2 3.2Å; L1403-F1407 PolarHBondContact O-N 3.37Å; L1403-F1419 HydrophobicContact CB-CE1 3.57Å; L1403-F1419 HydrophobicContact CB-CZ 3.6Å; L1403-F1419 HydrophobicContact CD1-CZ 4.23Å; L1403-F1419 HydrophobicContact CG-CZ 4.47Å |
| 1404 | I | 94.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 171.6 | -67 | 165.2 | 0 | 0 | 0 | 110.4 | F1266 L1267 V1400 E1401 A1402 S1406 F1407 L1408 F1419 I1420 L1423 | F1266-I1404 HydrophobicContact CD1-CG2 3.79Å; F1266-I1404 HydrophobicContact CE1-CG2 4.47Å; L1267-I1404 HydrophobicContact CB-CD1 4.41Å; L1267-I1404 HydrophobicContact CD1-CD1 4.28Å; L1267-I1404 HydrophobicContact CD2-CD1 4.04Å; L1267-I1404 HydrophobicContact CG-CD1 4.48Å; V1400-I1404 HydrophobicContact CG1-CD1 4.4Å; V1400-I1404 WeakPolarHBondContact O-CG1 3.46Å; V1400-I1404 PolarHBondContact O-N 3.06Å; V1400-I1404 VanDerWaalsContact O-N 3.13Å; E1401-I1404 WeakPolarHBondContact O-CA 3.28Å; E1401-I1404 VanDerWaalsContact O-CB 3.31Å; E1401-I1404 WeakPolarHBondContact O-CB 3.42Å; E1401-I1404 PolarHBondContact O-N 2.88Å; A1402-I1404 VanDerWaalsContact C-N 3.34Å; I1404-S1406 PolarHBondContact O-N 2.88Å; I1404-F1407 PolarHBondContact O-N 3.34Å; I1404-L1408 VanDerWaalsContact O-CB 3.32Å; I1404-L1408 WeakPolarHBondContact O-CB 3.38Å; I1404-L1408 PolarHBondContact O-N 3.47Å; I1404-F1419 HydrophobicContact CG1-CD1 3.86Å; I1404-F1419 HydrophobicContact CG1-CE1 3.85Å; I1404-I1420 HydrophobicContact CD1-CD1 4.37Å; I1404-I1420 HydrophobicContact CD1-CG1 3.82Å; I1404-I1420 HydrophobicContact CG1-CD1 4.39Å; I1404-I1420 HydrophobicContact CG1-CG1 3.77Å; I1404-I1420 HydrophobicContact CG2-CD1 3.83Å; I1404-I1420 HydrophobicContact CG2-CG1 4.13Å; I1404-L1423 HydrophobicContact CD1-CD1 4.29Å; I1404-L1423 HydrophobicContact CG1-CD1 4.33Å |
| 1405 | G | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1401 A1402 L1408 L1409 | E1401-G1405 PolarHBondContact O-N 3.35Å; A1402-G1405 PolarHBondContact O-N 3.37Å; G1405-L1408 PolarHBondContact O-N 3.41Å; G1405-L1409 WeakPolarHBondContact O-CG 3.42Å; G1405-L1409 PolarHBondContact O-N 2.91Å |
| 1406 | S | 92 | Very high | 90.1 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 177 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | D1240 A1402 L1403 I1404 L1408 T1410 | D1240-S1406 VanDerWaalsContact C-OG 3.23Å; D1240-S1406 PolarHBondContact O-OG 3.24Å; A1402-S1406 WeakPolarHBondContact O-CB 3.48Å; A1402-S1406 PolarHBondContact O-N 3.06Å; L1403-S1406 PolarHBondContact O-N 3.02Å; I1404-S1406 PolarHBondContact O-N 2.88Å; S1406-L1408 VanDerWaalsContact C-N 3.33Å; S1406-L1408 PolarHBondContact O-N 2.95Å; S1406-T1410 PolarHBondContact O-N 3.25Å; S1406-T1410 PolarHBondContact O-OG1 3.04Å |
| 1407 | F | 91.5 | Very high | 90 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 173.8 | -91.6 | -91.9 | 0 | 0 | 0 | 112.2 | V913 M914 P1236 I1241 L1403 I1404 C1411 A1416 F1419 | V913-F1407 HydrophobicContact CB-CZ 4.08Å; V913-F1407 HydrophobicContact CG1-CE1 4.08Å; V913-F1407 HydrophobicContact CG1-CE2 4.47Å; V913-F1407 HydrophobicContact CG1-CZ 3.65Å; V913-F1407 HydrophobicContact CG2-CZ 4.45Å; M914-F1407 HydrophobicContact SD-CE1 4.35Å; P1236-F1407 HydrophobicContact CG-CD1 4.27Å; P1236-F1407 HydrophobicContact CG-CD2 4.35Å; P1236-F1407 HydrophobicContact CG-CE1 3.9Å; P1236-F1407 HydrophobicContact CG-CE2 3.99Å; P1236-F1407 HydrophobicContact CG-CG 4.49Å; P1236-F1407 HydrophobicContact CG-CZ 3.74Å; I1241-F1407 HydrophobicContact CD1-CD2 4.12Å; I1241-F1407 HydrophobicContact CD1-CE2 3.8Å; L1403-F1407 WeakPolarHBondContact O-CD2 3.2Å; L1403-F1407 PolarHBondContact O-N 3.37Å; I1404-F1407 PolarHBondContact O-N 3.34Å; F1407-C1411 WeakPolarHBondContact O-CA 3.35Å; F1407-C1411 WeakPolarHBondContact O-CB 3.42Å; F1407-C1411 PolarHBondContact O-N 3.46Å; F1407-A1416 HydrophobicContact CB-CB 4.36Å; F1407-F1419 HydrophobicContact CD1-CB 4.27Å; F1407-F1419 HydrophobicContact CD2-CB 4.31Å; F1407-F1419 HydrophobicContact CD2-CD1 4.05Å; F1407-F1419 HydrophobicContact CD2-CD2 4.19Å; F1407-F1419 HydrophobicContact CD2-CE1 4.44Å; F1407-F1419 AromaticContact CD2-CG 3.91Å; F1407-F1419 HydrophobicContact CD2-CG 3.91Å; F1407-F1419 AromaticContact CE2-CD2 3.92Å; F1407-F1419 HydrophobicContact CE2-CD2 3.92Å; F1407-F1419 HydrophobicContact CE2-CE2 4.19Å; F1407-F1419 HydrophobicContact CE2-CG 4.11Å; F1407-F1419 HydrophobicContact CG-CB 4.14Å; F1407-F1419 HydrophobicContact CG-CD1 4.46Å; F1407-F1419 HydrophobicContact CG-CG 4.23Å; F1407-F1419 HydrophobicContact CZ-CD2 4.31Å |
| 1408 | L | 89.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.7 | -46.6 | 178.8 | 179.4 | 65.5 | 0 | 0 | 0 | 112.6 | L1262 F1266 I1404 G1405 S1406 G1412 A1416 Y1510 | L1262-L1408 HydrophobicContact CD1-CD2 4.3Å; L1262-L1408 HydrophobicContact CD2-CD2 4.45Å; L1262-L1408 HydrophobicContact CG-CD2 4.17Å; F1266-L1408 HydrophobicContact CB-CD2 3.82Å; F1266-L1408 HydrophobicContact CD1-CD1 4.27Å; F1266-L1408 HydrophobicContact CD1-CD2 3.93Å; F1266-L1408 HydrophobicContact CD2-CD1 4.12Å; F1266-L1408 HydrophobicContact CD2-CD2 3.84Å; F1266-L1408 HydrophobicContact CE1-CD1 3.94Å; F1266-L1408 HydrophobicContact CE1-CD2 4.45Å; F1266-L1408 HydrophobicContact CE2-CD1 3.8Å; F1266-L1408 HydrophobicContact CE2-CD2 4.38Å; F1266-L1408 HydrophobicContact CG-CD1 4.35Å; F1266-L1408 HydrophobicContact CG-CD2 3.59Å; F1266-L1408 HydrophobicContact CZ-CD1 3.7Å; I1404-L1408 VanDerWaalsContact O-CB 3.32Å; I1404-L1408 WeakPolarHBondContact O-CB 3.38Å; I1404-L1408 PolarHBondContact O-N 3.47Å; G1405-L1408 PolarHBondContact O-N 3.41Å; S1406-L1408 VanDerWaalsContact C-N 3.33Å; S1406-L1408 PolarHBondContact O-N 2.95Å; L1408-G1412 WeakPolarHBondContact O-CA 3.49Å; L1408-G1412 PolarHBondContact O-N 3.41Å; L1408-G1412 VanDerWaalsContact O-N 3.14Å; L1408-A1416 HydrophobicContact CB-CB 4.04Å; L1408-A1416 HydrophobicContact CD1-CB 4.2Å; L1408-Y1510 HydrophobicContact CD2-CE2 3.98Å |
| 1409 | L | 85.9 | Confident | 89.6 | Confident | 51 Ų | 51 | 14.5 Ų | 14.5 | 27% | 0.267 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -67.5 | -42 | -178.6 | -74 | 165.4 | 0 | 0 | 0 | 112.8 | L1259 L1262 G1405 Y1517 | L1259-L1409 HydrophobicContact CD2-CD1 3.49Å; L1259-L1409 VanDerWaalsContact CD2-CD1 3.49Å; L1262-L1409 HydrophobicContact CD2-CD1 3.72Å; L1262-L1409 HydrophobicContact CD2-CD2 3.67Å; L1262-L1409 HydrophobicContact CD2-CG 3.55Å; G1405-L1409 WeakPolarHBondContact O-CG 3.42Å; G1405-L1409 PolarHBondContact O-N 2.91Å; L1409-Y1517 HydrophobicContact CD1-CD1 4.49Å; L1409-Y1517 HydrophobicContact CD1-CE1 3.52Å; L1409-Y1517 WeakPolarHBondContact CD1-OH 3.42Å; L1409-Y1517 HydrophobicContact CD2-CD1 4.16Å; L1409-Y1517 HydrophobicContact CD2-CE1 3.81Å; L1409-Y1517 HydrophobicContact CG-CE1 4.31Å |
| 1410 | T | 83.7 | Confident | 89.5 | Confident | 24 Ų | 24 | 14.5 Ų | 14.5 | 15% | 0.147 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -90.1 | -30.7 | -173.2 | 58 | 0 | 0 | 0 | 0 | 113.3 | S1231 P1236 D1240 S1406 | S1231-T1410 WeakPolarHBondContact CB-O 3.25Å; S1231-T1410 PolarHBondContact N-O 3.5Å; S1231-T1410 PolarHBondContact OG-O 3.39Å; P1236-T1410 WeakPolarHBondContact CB-OG1 3.36Å; D1240-T1410 HydrophobicContact CB-CG2 4.1Å; D1240-T1410 WeakPolarHBondContact OD2-CG2 3.29Å; S1406-T1410 PolarHBondContact O-N 3.25Å; S1406-T1410 PolarHBondContact O-OG1 3.04Å |
| 1411 | C | 83 | Confident | 89.2 | Confident | 7 Ų | 7 | 17.4 Ų | 17.4 | 5% | 0.047 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -121.6 | 0.8 | -170.1 | -56.5 | 0 | 0 | 0 | 0 | 114.6 | S1231 G1235 P1236 F1407 K1415 | S1231-C1411 WeakPolarHBondContact OG-CA 3.46Å; S1231-C1411 PolarHBondContact OG-SG 2.67Å; G1235-C1411 VanDerWaalsContact C-SG 3.59Å; P1236-C1411 VanDerWaalsContact CD-SG 3.53Å; P1236-C1411 VanDerWaalsContact N-SG 3.38Å; F1407-C1411 WeakPolarHBondContact O-CA 3.35Å; F1407-C1411 WeakPolarHBondContact O-CB 3.42Å; F1407-C1411 PolarHBondContact O-N 3.46Å; C1411-K1415 HydrophobicContact CB-CB 3.48Å; C1411-K1415 VanDerWaalsContact CB-CB 3.48Å; C1411-K1415 HydrophobicContact CB-CD 3.7Å; C1411-K1415 HydrophobicContact CB-CG 4.07Å; C1411-K1415 WeakPolarHBondContact O-CE 3.24Å |
| 1412 | G | 83.1 | Confident | 89 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | 67.5 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1225 L1408 K1414 K1415 A1416 | D1225-G1412 WeakPolarHBondContact OD2-CA 3.5Å; L1408-G1412 WeakPolarHBondContact O-CA 3.49Å; L1408-G1412 PolarHBondContact O-N 3.41Å; L1408-G1412 VanDerWaalsContact O-N 3.14Å; G1412-K1414 VanDerWaalsContact C-N 3.32Å; G1412-K1414 PolarHBondContact O-N 3.48Å; G1412-K1415 PolarHBondContact O-N 3.44Å; G1412-A1416 PolarHBondContact O-N 3.14Å |
| 1413 | T | 83.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 18.3 Ų | 18.3 | 25% | 0.245 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -53 | -43 | -169.9 | -39.3 | 0 | 0 | 0 | 0 | 113.6 | F1266 A1416 I1417 | F1266-T1413 HydrophobicContact CE2-CG2 3.98Å; F1266-T1413 HydrophobicContact CZ-CG2 3.77Å; T1413-A1416 PolarHBondContact O-N 3.23Å; T1413-I1417 HydrophobicContact CG2-CD1 3.93Å; T1413-I1417 WeakPolarHBondContact O-CD1 3.44Å; T1413-I1417 VanDerWaalsContact O-CG1 3.28Å; T1413-I1417 WeakPolarHBondContact O-CG1 3.5Å; T1413-I1417 PolarHBondContact O-N 2.73Å |
| 1414 | K | 82 | Confident | 88.4 | Confident | 102 Ų | 102 | 20.5 Ų | 20.5 | 44% | 0.443 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -64.9 | -46.5 | -174.3 | -60.6 | 177.8 | -162.8 | 137.4 | 0 | 112.5 | D1228 G1412 G1418 | D1228-K1414 WeakPolarHBondContact OD1-CD 3.3Å; D1228-K1414 IonicContact OD1-NZ 3.3Å; D1228-K1414 PolarHBondContact OD1-NZ 3.47Å; D1228-K1414 IonicContact OD2-NZ 3.8Å; D1228-K1414 PolarHBondContact OD2-NZ 3.07Å; G1412-K1414 VanDerWaalsContact C-N 3.32Å; G1412-K1414 PolarHBondContact O-N 3.48Å; K1414-G1418 PolarHBondContact O-N 3.17Å |
| 1415 | K | 84.8 | Confident | 88 | Confident | 28 Ų | 28 | 20.8 Ų | 20.8 | 12% | 0.122 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.7 | -31.8 | 179.9 | -67.1 | -174.5 | -107.7 | 171.6 | 0 | 111.1 | F918 S1231 C1411 G1412 G1418 F1419 | F918-K1415 HydrophobicContact CE1-CG 4.42Å; F918-K1415 HydrophobicContact CZ-CB 4.31Å; F918-K1415 WeakPolarHBondContact CZ-O 3.36Å; S1231-K1415 PolarHBondContact O-NZ 3.33Å; S1231-K1415 PolarHBondContact OG-NZ 2.95Å; S1231-K1415 VanDerWaalsContact OG-NZ 3.14Å; C1411-K1415 HydrophobicContact CB-CB 3.48Å; C1411-K1415 VanDerWaalsContact CB-CB 3.48Å; C1411-K1415 HydrophobicContact CB-CD 3.7Å; C1411-K1415 HydrophobicContact CB-CG 4.07Å; C1411-K1415 WeakPolarHBondContact O-CE 3.24Å; G1412-K1415 PolarHBondContact O-N 3.44Å; K1415-G1418 PolarHBondContact O-N 3.13Å; K1415-F1419 PolarHBondContact O-N 3.46Å; K1415-F1419 VanDerWaalsContact O-N 3.08Å |
| 1416 | A | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -45.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1266 F1407 L1408 G1412 T1413 G1418 F1419 I1420 | F1266-A1416 HydrophobicContact CE1-CB 3.78Å; F1266-A1416 HydrophobicContact CZ-CB 4.34Å; F1407-A1416 HydrophobicContact CB-CB 4.36Å; L1408-A1416 HydrophobicContact CB-CB 4.04Å; L1408-A1416 HydrophobicContact CD1-CB 4.2Å; G1412-A1416 PolarHBondContact O-N 3.14Å; T1413-A1416 PolarHBondContact O-N 3.23Å; A1416-G1418 VanDerWaalsContact C-N 3.32Å; A1416-G1418 PolarHBondContact O-N 2.79Å; A1416-F1419 PolarHBondContact O-N 3.03Å; A1416-F1419 VanDerWaalsContact O-N 3.14Å; A1416-I1420 WeakPolarHBondContact O-CG1 3.08Å; A1416-I1420 PolarHBondContact O-N 3.08Å |
| 1417 | I | 88.6 | Confident | 86.8 | Confident | 30 Ų | 30 | 27.2 Ų | 27.2 | 15% | 0.154 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.4 | -46.5 | 173.3 | -70.3 | 158.8 | 0 | 0 | 0 | 110.7 | L1270 T1413 F1419 I1420 E1421 V1427 L1434 | L1270-I1417 HydrophobicContact CD1-CG1 3.73Å; L1270-I1417 HydrophobicContact CD2-CD1 4.28Å; L1270-I1417 HydrophobicContact CD2-CG1 4.11Å; T1413-I1417 HydrophobicContact CG2-CD1 3.93Å; T1413-I1417 WeakPolarHBondContact O-CD1 3.44Å; T1413-I1417 VanDerWaalsContact O-CG1 3.28Å; T1413-I1417 WeakPolarHBondContact O-CG1 3.5Å; T1413-I1417 PolarHBondContact O-N 2.73Å; I1417-F1419 VanDerWaalsContact C-N 3.3Å; I1417-F1419 PolarHBondContact O-N 3.34Å; I1417-I1420 WeakPolarHBondContact O-CB 3.47Å; I1417-I1420 PolarHBondContact O-N 2.99Å; I1417-I1420 VanDerWaalsContact O-N 3.13Å; I1417-E1421 WeakPolarHBondContact O-CG 3.44Å; I1417-E1421 PolarHBondContact O-N 2.83Å; I1417-V1427 HydrophobicContact CG2-CG2 4.08Å; I1417-L1434 HydrophobicContact CD1-CD1 3.57Å; I1417-L1434 HydrophobicContact CG1-CD1 4.18Å; I1417-L1434 HydrophobicContact CG2-CD1 4.5Å |
| 1418 | G | 88.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -34.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R917 K1414 K1415 A1416 W1422 | R917-G1418 WeakPolarHBondContact CD-O 2.82Å; R917-G1418 VanDerWaalsContact CG-O 3.31Å; R917-G1418 WeakPolarHBondContact CG-O 3.25Å; R917-G1418 PolarHBondContact NE-O 2.96Å; K1414-G1418 PolarHBondContact O-N 3.17Å; K1415-G1418 PolarHBondContact O-N 3.13Å; A1416-G1418 VanDerWaalsContact C-N 3.32Å; A1416-G1418 PolarHBondContact O-N 2.79Å; G1418-W1422 WeakPolarHBondContact O-CB 3.47Å; G1418-W1422 PolarHBondContact O-N 3.28Å |
| 1419 | F | 91.7 | Very high | 84.1 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.4 | -40.6 | 172.9 | 176.8 | -113.5 | 0 | 0 | 0 | 112.4 | V913 L1403 I1404 F1407 K1415 A1416 I1417 W1422 L1423 | V913-F1419 HydrophobicContact CG1-CD2 3.83Å; V913-F1419 HydrophobicContact CG2-CD2 3.98Å; V913-F1419 HydrophobicContact CG2-CE2 3.9Å; L1403-F1419 HydrophobicContact CB-CE1 3.57Å; L1403-F1419 HydrophobicContact CB-CZ 3.6Å; L1403-F1419 HydrophobicContact CD1-CZ 4.23Å; L1403-F1419 HydrophobicContact CG-CZ 4.47Å; I1404-F1419 HydrophobicContact CG1-CD1 3.86Å; I1404-F1419 HydrophobicContact CG1-CE1 3.85Å; F1407-F1419 HydrophobicContact CD1-CB 4.27Å; F1407-F1419 HydrophobicContact CD2-CB 4.31Å; F1407-F1419 HydrophobicContact CD2-CD1 4.05Å; F1407-F1419 HydrophobicContact CD2-CD2 4.19Å; F1407-F1419 HydrophobicContact CD2-CE1 4.44Å; F1407-F1419 AromaticContact CD2-CG 3.91Å; F1407-F1419 HydrophobicContact CD2-CG 3.91Å; F1407-F1419 AromaticContact CE2-CD2 3.92Å; F1407-F1419 HydrophobicContact CE2-CD2 3.92Å; F1407-F1419 HydrophobicContact CE2-CE2 4.19Å; F1407-F1419 HydrophobicContact CE2-CG 4.11Å; F1407-F1419 HydrophobicContact CG-CB 4.14Å; F1407-F1419 HydrophobicContact CG-CD1 4.46Å; F1407-F1419 HydrophobicContact CG-CG 4.23Å; F1407-F1419 HydrophobicContact CZ-CD2 4.31Å; K1415-F1419 PolarHBondContact O-N 3.46Å; K1415-F1419 VanDerWaalsContact O-N 3.08Å; A1416-F1419 PolarHBondContact O-N 3.03Å; A1416-F1419 VanDerWaalsContact O-N 3.14Å; I1417-F1419 VanDerWaalsContact C-N 3.3Å; I1417-F1419 PolarHBondContact O-N 3.34Å; F1419-W1422 AromaticContact CD2-CE3 3.81Å; F1419-W1422 HydrophobicContact CD2-CE3 3.81Å; F1419-W1422 HydrophobicContact CD2-CZ3 4.31Å; F1419-W1422 AromaticContact CE2-CE3 3.6Å; F1419-W1422 HydrophobicContact CE2-CE3 3.6Å; F1419-W1422 AromaticContact CE2-CZ3 3.65Å; F1419-W1422 HydrophobicContact CE2-CZ3 3.65Å; F1419-W1422 HydrophobicContact CZ-CZ3 4.49Å; F1419-W1422 WeakPolarHBondContact O-CB 3.45Å; F1419-W1422 PolarHBondContact O-N 3.18Å; F1419-W1422 VanDerWaalsContact O-N 3.16Å; F1419-L1423 HydrophobicContact CD1-CD1 4.11Å; F1419-L1423 HydrophobicContact CE1-CD1 3.66Å; F1419-L1423 HydrophobicContact CE1-CG 4.28Å; F1419-L1423 HydrophobicContact CE2-CD2 4.48Å; F1419-L1423 HydrophobicContact CE2-CG 4.33Å; F1419-L1423 HydrophobicContact CZ-CD1 3.92Å; F1419-L1423 HydrophobicContact CZ-CD2 4.14Å; F1419-L1423 HydrophobicContact CZ-CG 4.08Å; F1419-L1423 WeakPolarHBondContact O-CG 3.42Å; F1419-L1423 PolarHBondContact O-N 2.99Å |
| 1420 | I | 92.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.2 | -66.7 | 166.4 | 0 | 0 | 0 | 111.2 | F1266 L1267 L1270 I1404 A1416 I1417 L1423 G1424 V1425 V1427 | F1266-I1420 HydrophobicContact CD1-CD1 4.17Å; F1266-I1420 HydrophobicContact CE1-CD1 3.94Å; L1267-I1420 HydrophobicContact CD1-CG2 4.12Å; L1270-I1420 HydrophobicContact CD1-CD1 3.47Å; L1270-I1420 VanDerWaalsContact CD1-CD1 3.47Å; I1404-I1420 HydrophobicContact CD1-CD1 4.37Å; I1404-I1420 HydrophobicContact CD1-CG1 3.82Å; I1404-I1420 HydrophobicContact CG1-CD1 4.39Å; I1404-I1420 HydrophobicContact CG1-CG1 3.77Å; I1404-I1420 HydrophobicContact CG2-CD1 3.83Å; I1404-I1420 HydrophobicContact CG2-CG1 4.13Å; A1416-I1420 WeakPolarHBondContact O-CG1 3.08Å; A1416-I1420 PolarHBondContact O-N 3.08Å; I1417-I1420 WeakPolarHBondContact O-CB 3.47Å; I1417-I1420 PolarHBondContact O-N 2.99Å; I1417-I1420 VanDerWaalsContact O-N 3.13Å; I1420-L1423 WeakPolarHBondContact O-CB 3.32Å; I1420-L1423 PolarHBondContact O-N 3.19Å; I1420-G1424 PolarHBondContact O-N 3.38Å; I1420-V1425 HydrophobicContact CG2-CB 3.58Å; I1420-V1425 HydrophobicContact CG2-CG1 3.79Å; I1420-V1425 HydrophobicContact CG2-CG2 4.23Å; I1420-V1425 PolarHBondContact O-N 2.94Å; I1420-V1427 HydrophobicContact CB-CG2 4.32Å; I1420-V1427 HydrophobicContact CG2-CB 4.38Å; I1420-V1427 HydrophobicContact CG2-CG1 3.66Å; I1420-V1427 HydrophobicContact CG2-CG2 3.77Å |
| 1421 | E | 90.2 | Very high | 80.6 | Confident | 62 Ų | 62 | 44 Ų | 44 | 29% | 0.29 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 171.4 | -66.7 | 175.8 | 141.3 | 0 | 0 | 112.2 | R917 I1417 L1423 G1424 V1427 | R917-E1421 IonicContact CZ-OE2 2.65Å; R917-E1421 VanDerWaalsContact CZ-OE2 3.25Å; R917-E1421 IonicContact NE-OE2 2.66Å; R917-E1421 PolarHBondContact NE-OE2 2.92Å; R917-E1421 IonicContact NH2-OE2 3.58Å; R917-E1421 PolarHBondContact NH2-OE2 3.32Å; I1417-E1421 WeakPolarHBondContact O-CG 3.44Å; I1417-E1421 PolarHBondContact O-N 2.83Å; E1421-L1423 VanDerWaalsContact C-N 3.31Å; E1421-L1423 PolarHBondContact O-N 3.28Å; E1421-G1424 WeakPolarHBondContact O-CA 3.5Å; E1421-G1424 PolarHBondContact O-N 3.05Å; E1421-V1427 HydrophobicContact CG-CG2 3.96Å |
| 1422 | W | 92.4 | Very high | 79.1 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 178.3 | 174.6 | 82.4 | 0 | 0 | 0 | 112 | V913 E916 R917 K1307 G1418 F1419 G1424 | V913-W1422 HydrophobicContact CG2-CD2 4.17Å; V913-W1422 HydrophobicContact CG2-CE3 4Å; V913-W1422 HydrophobicContact CG2-CH2 3.9Å; V913-W1422 HydrophobicContact CG2-CZ2 4.07Å; V913-W1422 HydrophobicContact CG2-CZ3 3.88Å; E916-W1422 PolarHBondContact OE2-NE1 3.33Å; R917-W1422 HydrophobicContact CB-CB 4.04Å; R917-W1422 HydrophobicContact CB-CG 4.28Å; R917-W1422 HydrophobicContact CG-CB 4.28Å; K1307-W1422 HydrophobicContact CB-CH2 4.02Å; K1307-W1422 HydrophobicContact CB-CZ3 4.33Å; K1307-W1422 HydrophobicContact CD-CD2 4.47Å; K1307-W1422 HydrophobicContact CD-CE3 4.37Å; K1307-W1422 HydrophobicContact CD-CH2 3.59Å; K1307-W1422 HydrophobicContact CD-CZ2 3.67Å; K1307-W1422 HydrophobicContact CD-CZ3 3.95Å; K1307-W1422 WeakPolarHBondContact CE-O 3.33Å; K1307-W1422 HydrophobicContact CG-CE3 4.5Å; K1307-W1422 HydrophobicContact CG-CH2 3.8Å; K1307-W1422 HydrophobicContact CG-CZ2 4.39Å; K1307-W1422 HydrophobicContact CG-CZ3 3.84Å; K1307-W1422 PolarHBondContact NZ-O 3.05Å; G1418-W1422 WeakPolarHBondContact O-CB 3.47Å; G1418-W1422 PolarHBondContact O-N 3.28Å; F1419-W1422 AromaticContact CD2-CE3 3.81Å; F1419-W1422 HydrophobicContact CD2-CE3 3.81Å; F1419-W1422 HydrophobicContact CD2-CZ3 4.31Å; F1419-W1422 AromaticContact CE2-CE3 3.6Å; F1419-W1422 HydrophobicContact CE2-CE3 3.6Å; F1419-W1422 AromaticContact CE2-CZ3 3.65Å; F1419-W1422 HydrophobicContact CE2-CZ3 3.65Å; F1419-W1422 HydrophobicContact CZ-CZ3 4.49Å; F1419-W1422 WeakPolarHBondContact O-CB 3.45Å; F1419-W1422 PolarHBondContact O-N 3.18Å; F1419-W1422 VanDerWaalsContact O-N 3.16Å; W1422-G1424 PolarHBondContact O-N 3.41Å |
| 1423 | L | 90.9 | Very high | 78.1 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -31.9 | 172.2 | -72.7 | 164.6 | 0 | 0 | 0 | 112.2 | K1307 I1309 V1400 I1404 F1419 I1420 E1421 | K1307-L1423 HydrophobicContact CG-CD2 4.31Å; I1309-L1423 HydrophobicContact CD1-CD2 4.1Å; V1400-L1423 HydrophobicContact CG1-CD1 3.73Å; V1400-L1423 HydrophobicContact CG1-CD2 4.4Å; V1400-L1423 HydrophobicContact CG2-CD2 4.32Å; I1404-L1423 HydrophobicContact CD1-CD1 4.29Å; I1404-L1423 HydrophobicContact CG1-CD1 4.33Å; F1419-L1423 HydrophobicContact CD1-CD1 4.11Å; F1419-L1423 HydrophobicContact CE1-CD1 3.66Å; F1419-L1423 HydrophobicContact CE1-CG 4.28Å; F1419-L1423 HydrophobicContact CE2-CD2 4.48Å; F1419-L1423 HydrophobicContact CE2-CG 4.33Å; F1419-L1423 HydrophobicContact CZ-CD1 3.92Å; F1419-L1423 HydrophobicContact CZ-CD2 4.14Å; F1419-L1423 HydrophobicContact CZ-CG 4.08Å; F1419-L1423 WeakPolarHBondContact O-CG 3.42Å; F1419-L1423 PolarHBondContact O-N 2.99Å; I1420-L1423 WeakPolarHBondContact O-CB 3.32Å; I1420-L1423 PolarHBondContact O-N 3.19Å; E1421-L1423 VanDerWaalsContact C-N 3.31Å; E1421-L1423 PolarHBondContact O-N 3.28Å |
| 1424 | G | 87.4 | Confident | 77.1 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.9 | 11.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1420 E1421 W1422 | I1420-G1424 PolarHBondContact O-N 3.38Å; E1421-G1424 WeakPolarHBondContact O-CA 3.5Å; E1421-G1424 PolarHBondContact O-N 3.05Å; W1422-G1424 PolarHBondContact O-N 3.41Å |
| 1425 | V | 85.5 | Confident | 76.2 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | trans | -79.3 | 139.2 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | L1267 V1271 Q1294 L1303 I1420 V1427 | L1267-V1425 HydrophobicContact CD1-CG1 4.1Å; V1271-V1425 HydrophobicContact CG2-CG1 4.08Å; Q1294-V1425 VanDerWaalsContact OE1-CG1 3.27Å; L1303-V1425 HydrophobicContact CD1-CG2 3.48Å; L1303-V1425 VanDerWaalsContact CD1-CG2 3.48Å; I1420-V1425 HydrophobicContact CG2-CB 3.58Å; I1420-V1425 HydrophobicContact CG2-CG1 3.79Å; I1420-V1425 HydrophobicContact CG2-CG2 4.23Å; I1420-V1425 PolarHBondContact O-N 2.94Å; V1425-V1427 HydrophobicContact CG1-CG1 4.12Å; V1425-V1427 PolarHBondContact O-N 3.49Å | ||
| 1426 | K | 81 | Confident | 75.2 | Confident | 135 Ų | 135 | 48.6 Ų | 48.6 | 59% | 0.587 | 27% | 0.271 | S | S | * | . | trans | -90.5 | 103.4 | 178.2 | -63.7 | -174.8 | -179.3 | -176.2 | 0 | 110.3 | Y1274 Q1294 | Y1274-K1426 VanDerWaalsContact CD1-O 3.28Å; Y1274-K1426 WeakPolarHBondContact CD1-O 3.47Å; Y1274-K1426 HydrophobicContact CE1-CB 4.01Å; Q1294-K1426 PolarHBondContact NE2-O 2.94Å | ||
| 1427 | V | 78.5 | Confident | 73.8 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -120.5 | -14.7 | 174.9 | -70.3 | 0 | 0 | 0 | 0 | 114.1 | L1270 V1271 Y1274 I1417 I1420 E1421 V1425 | L1270-V1427 HydrophobicContact CB-CB 4.36Å; L1270-V1427 HydrophobicContact CB-CG1 3.84Å; V1271-V1427 HydrophobicContact CG2-CG1 4.01Å; Y1274-V1427 VanDerWaalsContact CD2-C 3.49Å; Y1274-V1427 WeakPolarHBondContact CD2-O 3.45Å; I1417-V1427 HydrophobicContact CG2-CG2 4.08Å; I1420-V1427 HydrophobicContact CB-CG2 4.32Å; I1420-V1427 HydrophobicContact CG2-CB 4.38Å; I1420-V1427 HydrophobicContact CG2-CG1 3.66Å; I1420-V1427 HydrophobicContact CG2-CG2 3.77Å; E1421-V1427 HydrophobicContact CG-CG2 3.96Å; V1425-V1427 HydrophobicContact CG1-CG1 4.12Å; V1425-V1427 PolarHBondContact O-N 3.49Å |
| 1428 | A | 66.9 | Low | 72.9 | Confident | 29 Ų | 29 | 55 Ų | 55 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | trans | -140.8 | 169 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1429 | S | 57.8 | Low | 71.8 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 33% | 0.329 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -150.7 | 167 | 164.2 | 76.7 | 0 | 0 | 0 | 0 | 110 | N1431 C1432 | S1429-N1431 PolarHBondContact O-N 3.07Å; S1429-N1431 PolarHBondContact OG-N 2.87Å; S1429-C1432 PolarHBondContact O-N 1.92Å; S1429-C1432 PolarHBondContact OG-N 2.9Å |
| 1430 | E | 49 | Very low | 70.7 | Confident | 198 Ų | 198 | 67.1 Ų | 67.1 | 93% | 0.925 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -21.9 | 176 | -60.3 | -179.6 | 150.9 | 0 | 0 | 113.9 | ||
| 1431 | N | 45.3 | Very low | 69.6 | Low | 155 Ų | 155 | 67.9 Ų | 67.9 | 83% | 0.829 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 2.3 | -179.8 | -61.5 | -67.6 | 0 | 0 | 0 | 114 | S1429 | S1429-N1431 PolarHBondContact O-N 3.07Å; S1429-N1431 PolarHBondContact OG-N 2.87Å |
| 1432 | C | 52.2 | Low | 68.8 | Low | 12 Ų | 12 | 66.8 Ų | 66.8 | 8% | 0.081 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -140.8 | 89.9 | -175.3 | -173.9 | 0 | 0 | 0 | 0 | 112 | S1429 | S1429-C1432 PolarHBondContact O-N 1.92Å; S1429-C1432 PolarHBondContact OG-N 2.9Å |
| 1433 | D | 61.9 | Low | 67.7 | Low | 92 Ų | 92 | 67 Ų | 67 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | trans | -74.7 | 140.8 | 168.2 | -163.6 | -45.6 | 0 | 0 | 0 | 110.9 | K1277 T1435 S1436 | K1277-D1433 PolarHBondContact NZ-O 3.4Å; D1433-T1435 PolarHBondContact O-N 3.09Å; D1433-T1435 WeakPolarHBondContact OD1-CB 3.26Å; D1433-T1435 PolarHBondContact OD1-N 3.36Å; D1433-T1435 PolarHBondContact OD1-OG1 2.84Å; D1433-T1435 PolarHBondContact OD2-OG1 3.44Å; D1433-S1436 PolarHBondContact O-N 2.93Å; D1433-S1436 PolarHBondContact O-OG 3.07Å | ||
| 1434 | L | 63.8 | Low | 66.3 | Low | 30 Ų | 30 | 73.3 Ų | 73.3 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.5 | 174.8 | -73.3 | 160.4 | 0 | 0 | 0 | 112 | L1270 V1273 K1277 I1417 | L1270-L1434 HydrophobicContact CD2-CD1 3.79Å; L1270-L1434 HydrophobicContact CD2-CD2 4.21Å; V1273-L1434 HydrophobicContact CB-CD2 4.19Å; V1273-L1434 HydrophobicContact CG1-CD2 3.75Å; K1277-L1434 PolarHBondContact NZ-O 2.97Å; I1417-L1434 HydrophobicContact CD1-CD1 3.57Å; I1417-L1434 HydrophobicContact CG1-CD1 4.18Å; I1417-L1434 HydrophobicContact CG2-CD1 4.5Å |
| 1435 | T | 62 | Low | 65.2 | Low | 107 Ų | 107 | 74.3 Ų | 74.3 | 66% | 0.656 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -13.7 | 176.4 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | D1433 | D1433-T1435 PolarHBondContact O-N 3.09Å; D1433-T1435 WeakPolarHBondContact OD1-CB 3.26Å; D1433-T1435 PolarHBondContact OD1-N 3.36Å; D1433-T1435 PolarHBondContact OD1-OG1 2.84Å; D1433-T1435 PolarHBondContact OD2-OG1 3.44Å |
| 1436 | S | 63.9 | Low | 64.2 | Low | 39 Ų | 39 | 77.7 Ų | 77.7 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -61.7 | 142.2 | -175 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | K1277 D1433 V1438 | K1277-S1436 PolarHBondContact NZ-O 2.76Å; K1277-S1436 PolarHBondContact NZ-OG 3.01Å; D1433-S1436 PolarHBondContact O-N 2.93Å; D1433-S1436 PolarHBondContact O-OG 3.07Å; S1436-V1438 PolarHBondContact O-N 2.93Å |
| 1437 | P | 60.9 | Low | 63.5 | Low | 127 Ų | 127 | 75.1 Ų | 75.1 | 83% | 0.825 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 131.7 | 176.5 | 26.2 | -34 | 0 | 0 | 0 | 110.7 | ||
| 1438 | V | 69 | Low | 63.2 | Low | 38 Ų | 38 | 81 Ų | 81 | 23% | 0.23 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 153.7 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | F1276 K1277 S1436 L1440 L1618 | F1276-V1438 HydrophobicContact CE1-CG1 4.15Å; K1277-V1438 HydrophobicContact CD-CG2 4.25Å; K1277-V1438 HydrophobicContact CG-CG2 4.08Å; S1436-V1438 PolarHBondContact O-N 2.93Å; V1438-L1440 PolarHBondContact O-N 2.92Å; V1438-L1618 HydrophobicContact CB-CD2 4.34Å; V1438-L1618 HydrophobicContact CG2-CD2 3.84Å |
| 1439 | Q | 65.3 | Low | 63.5 | Low | 142 Ų | 142 | 80 Ų | 80 | 66% | 0.664 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 139 | 170.5 | -79 | -172.8 | -43.9 | 0 | 0 | 111.2 | ||
| 1440 | L | 68.1 | Low | 64.5 | Low | 115 Ų | 115 | 80.7 Ų | 80.7 | 60% | 0.602 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 138.2 | 178 | -64.9 | 166 | 0 | 0 | 0 | 109.9 | V1438 L1442 N1475 | V1438-L1440 PolarHBondContact O-N 2.92Å; L1440-L1442 PolarHBondContact O-N 2.85Å; L1440-L1442 VanDerWaalsContact O-N 3.16Å; L1440-N1475 WeakPolarHBondContact CD2-ND2 3.4Å |
| 1441 | P | 70.6 | Confident | 65.9 | Low | 15 Ų | 15 | 76.1 Ų | 76.1 | 10% | 0.097 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -71.3 | -5.5 | 179.2 | 32.5 | -40.3 | 0 | 0 | 0 | 113.2 | N1475 A1477 Y1478 T1494 | P1441-N1475 WeakPolarHBondContact CD-ND2 3.44Å; P1441-A1477 HydrophobicContact CG-CB 3.69Å; P1441-Y1478 HydrophobicContact CB-CD1 3.96Å; P1441-Y1478 HydrophobicContact CB-CE1 4.05Å; P1441-Y1478 HydrophobicContact CG-CD1 3.53Å; P1441-Y1478 HydrophobicContact CG-CD2 4.41Å; P1441-Y1478 HydrophobicContact CG-CE1 3.62Å; P1441-Y1478 HydrophobicContact CG-CG 3.93Å; P1441-T1494 WeakPolarHBondContact O-CA 3.34Å |
| 1442 | L | 72.7 | Confident | 67.5 | Low | 40 Ų | 40 | 70.4 Ų | 70.4 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -79.1 | 127.4 | 176.8 | -159.9 | 78.6 | 0 | 0 | 0 | 109.8 | L1440 D1444 A1449 L1453 A1477 C1493 | L1440-L1442 PolarHBondContact O-N 2.85Å; L1440-L1442 VanDerWaalsContact O-N 3.16Å; L1442-D1444 PolarHBondContact O-N 3.14Å; L1442-D1444 VanDerWaalsContact O-N 3.07Å; L1442-A1449 HydrophobicContact CD1-CB 4.21Å; L1442-A1449 HydrophobicContact CD2-CB 4.21Å; L1442-A1449 HydrophobicContact CG-CB 4.08Å; L1442-L1453 HydrophobicContact CD1-CB 4.39Å; L1442-L1453 HydrophobicContact CD1-CD2 4.22Å; L1442-A1477 HydrophobicContact CD1-CB 4.22Å; L1442-C1493 CarbonylContact C-O 3.57Å; L1442-C1493 WeakPolarHBondContact CA-O 3.37Å; L1442-C1493 HydrophobicContact CD1-CB 4.24Å |
| 1443 | I | 68.8 | Low | 69 | Low | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.118 | 40% | 0.403 | C | S | . | . | trans | -81.8 | 89.9 | -178.6 | -59 | 170.6 | 0 | 0 | 0 | 108.8 | K521 S1445 Y1446 C1493 T1494 | K521-I1443 HydrophobicContact CB-CG2 4.46Å; K521-I1443 HydrophobicContact CD-CD1 4.12Å; I1443-S1445 WeakPolarHBondContact CG2-OG 3.42Å; I1443-S1445 PolarHBondContact O-N 3.31Å; I1443-Y1446 WeakPolarHBondContact O-CB 3.27Å; I1443-Y1446 PolarHBondContact O-N 3.48Å; I1443-C1493 PolarHBondContact N-O 3.18Å; I1443-T1494 WeakPolarHBondContact CD1-O 3.35Å | ||
| 1444 | D | 62.6 | Low | 70.1 | Confident | 140 Ų | 140 | 73.1 Ų | 73.1 | 75% | 0.749 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -21.9 | -178.6 | -74.5 | -25.4 | 0 | 0 | 0 | 114.5 | L1442 Y1446 | L1442-D1444 PolarHBondContact O-N 3.14Å; L1442-D1444 VanDerWaalsContact O-N 3.07Å; D1444-Y1446 VanDerWaalsContact C-N 3.27Å; D1444-Y1446 PolarHBondContact O-N 2.87Å |
| 1445 | S | 62.8 | Low | 71 | Confident | 70 Ų | 70 | 76.2 Ų | 76.2 | 49% | 0.49 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -3.7 | 176.2 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | I1443 | I1443-S1445 WeakPolarHBondContact CG2-OG 3.42Å; I1443-S1445 PolarHBondContact O-N 3.31Å |
| 1446 | Y | 64.4 | Low | 72 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -96.7 | 122.7 | 178.7 | -171.7 | -96.8 | 0 | 0 | 0 | 112.3 | L513 I1443 D1444 N1448 A1449 R1492 | L513-Y1446 HydrophobicContact CD2-CE2 4.42Å; I1443-Y1446 WeakPolarHBondContact O-CB 3.27Å; I1443-Y1446 PolarHBondContact O-N 3.48Å; D1444-Y1446 VanDerWaalsContact C-N 3.27Å; D1444-Y1446 PolarHBondContact O-N 2.87Å; Y1446-N1448 PolarHBondContact O-N 2.71Å; Y1446-A1449 HydrophobicContact CD1-CB 4.21Å; Y1446-A1449 PolarHBondContact O-N 3.35Å; Y1446-R1492 HydrophobicContact CD2-CB 3.85Å; Y1446-R1492 HydrophobicContact CE1-CB 4.23Å; Y1446-R1492 HydrophobicContact CE2-CB 3.51Å; Y1446-R1492 HydrophobicContact CE2-CG 4.19Å; Y1446-R1492 HydrophobicContact CG-CB 4.35Å |
| 1447 | P | 66 | Low | 72.9 | Confident | 82 Ų | 82 | 70 Ų | 70 | 53% | 0.532 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 131.9 | 178.3 | -24.8 | 34.6 | 0 | 0 | 0 | 112.8 | A1449 | P1447-A1449 VanDerWaalsContact C-N 3.25Å; P1447-A1449 PolarHBondContact O-N 2.87Å |
| 1448 | N | 73.7 | Confident | 74 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 67% | 0.668 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 28 | 178.8 | -53.1 | -9.6 | 0 | 0 | 0 | 114.9 | Y1446 A1450 D1451 E1452 | Y1446-N1448 PolarHBondContact O-N 2.71Å; N1448-A1450 PolarHBondContact O-N 3.32Å; N1448-D1451 HydrophobicContact CB-CB 4.47Å; N1448-D1451 PolarHBondContact O-N 2.97Å; N1448-E1452 PolarHBondContact O-N 3.06Å; N1448-E1452 VanDerWaalsContact O-N 3.09Å |
| 1449 | A | 72.6 | Confident | 74.5 | Confident | 8 Ų | 8 | 71.6 Ų | 71.6 | 7% | 0.066 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -49.7 | -35.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1442 Y1446 P1447 L1453 C1493 | L1442-A1449 HydrophobicContact CD1-CB 4.21Å; L1442-A1449 HydrophobicContact CD2-CB 4.21Å; L1442-A1449 HydrophobicContact CG-CB 4.08Å; Y1446-A1449 HydrophobicContact CD1-CB 4.21Å; Y1446-A1449 PolarHBondContact O-N 3.35Å; P1447-A1449 VanDerWaalsContact C-N 3.25Å; P1447-A1449 PolarHBondContact O-N 2.87Å; A1449-L1453 WeakPolarHBondContact O-CB 3.3Å; A1449-L1453 PolarHBondContact O-N 3.17Å; A1449-C1493 HydrophobicContact CB-CB 3.92Å |
| 1450 | A | 79.6 | Confident | 75.2 | Confident | 61 Ų | 61 | 67 Ų | 67 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.9 | -32.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1448 K1454 | N1448-A1450 PolarHBondContact O-N 3.32Å; A1450-K1454 PolarHBondContact O-N 3.13Å |
| 1451 | D | 77.4 | Confident | 76 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.9 | -36.3 | 174.9 | -70.6 | -45.1 | 0 | 0 | 0 | 111 | N1448 K1454 R1455 | N1448-D1451 HydrophobicContact CB-CB 4.47Å; N1448-D1451 PolarHBondContact O-N 2.97Å; D1451-K1454 CarbonylContact O-C 3.39Å; D1451-K1454 VanDerWaalsContact O-CB 3.31Å; D1451-K1454 WeakPolarHBondContact O-CB 3.49Å; D1451-K1454 PolarHBondContact O-N 3.44Å; D1451-R1455 PolarHBondContact O-N 2.83Å |
| 1452 | E | 79.2 | Confident | 76.9 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 174.1 | -175 | 55.4 | -158 | 0 | 0 | 111.6 | N1448 K1454 R1455 L1456 C1493 | N1448-E1452 PolarHBondContact O-N 3.06Å; N1448-E1452 VanDerWaalsContact O-N 3.09Å; E1452-K1454 VanDerWaalsContact C-N 3.32Å; E1452-K1454 PolarHBondContact O-N 2.95Å; E1452-R1455 VanDerWaalsContact CD-NE 3.26Å; E1452-R1455 WeakPolarHBondContact O-CA 3.4Å; E1452-R1455 WeakPolarHBondContact O-CB 3.26Å; E1452-R1455 PolarHBondContact O-N 3.17Å; E1452-R1455 VanDerWaalsContact O-N 3.08Å; E1452-R1455 IonicContact OE1-CZ 2.62Å; E1452-R1455 IonicContact OE1-NE 3.4Å; E1452-R1455 PolarHBondContact OE1-NE 2.86Å; E1452-R1455 IonicContact OE1-NH2 3.44Å; E1452-R1455 PolarHBondContact OE1-NH2 2.73Å; E1452-R1455 WeakPolarHBondContact OE2-CD 3.23Å; E1452-R1455 IonicContact OE2-CZ 2.58Å; E1452-R1455 IonicContact OE2-NE 2.77Å; E1452-R1455 PolarHBondContact OE2-NE 3.01Å; E1452-R1455 IonicContact OE2-NH2 3.03Å; E1452-L1456 WeakPolarHBondContact O-CG 3.4Å; E1452-L1456 PolarHBondContact O-N 2.93Å; E1452-C1493 HydrophobicContact CB-CB 4.45Å; E1452-C1493 HydrophobicContact CG-CB 4.47Å |
| 1453 | L | 84 | Confident | 77.6 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.131 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 169.9 | -176.6 | 74 | 0 | 0 | 0 | 111.4 | L1442 A1449 R1455 L1456 W1457 A1477 V1480 T1494 | L1442-L1453 HydrophobicContact CD1-CB 4.39Å; L1442-L1453 HydrophobicContact CD1-CD2 4.22Å; A1449-L1453 WeakPolarHBondContact O-CB 3.3Å; A1449-L1453 PolarHBondContact O-N 3.17Å; L1453-R1455 VanDerWaalsContact C-N 3.33Å; L1453-R1455 PolarHBondContact O-N 2.93Å; L1453-L1456 PolarHBondContact O-N 2.76Å; L1453-W1457 WeakPolarHBondContact O-CB 3.44Å; L1453-W1457 PolarHBondContact O-N 3.2Å; L1453-A1477 HydrophobicContact CD1-CB 3.89Å; L1453-A1477 HydrophobicContact CD2-CB 4.05Å; L1453-V1480 HydrophobicContact CD1-CB 3.85Å; L1453-V1480 HydrophobicContact CD1-CG1 4.1Å; L1453-V1480 HydrophobicContact CD1-CG2 3.67Å; L1453-T1494 HydrophobicContact CD1-CG2 4.49Å |
| 1454 | K | 83.9 | Confident | 78.6 | Confident | 137 Ų | 137 | 68.7 Ų | 68.7 | 60% | 0.596 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | 173.5 | -108.1 | 173 | -179.3 | 167.6 | 0 | 112.5 | A1450 D1451 E1452 N1458 | A1450-K1454 PolarHBondContact O-N 3.13Å; D1451-K1454 CarbonylContact O-C 3.39Å; D1451-K1454 VanDerWaalsContact O-CB 3.31Å; D1451-K1454 WeakPolarHBondContact O-CB 3.49Å; D1451-K1454 PolarHBondContact O-N 3.44Å; E1452-K1454 VanDerWaalsContact C-N 3.32Å; E1452-K1454 PolarHBondContact O-N 2.95Å; K1454-N1458 WeakPolarHBondContact O-CB 3.33Å; K1454-N1458 VanDerWaalsContact O-CG 3.23Å; K1454-N1458 PolarHBondContact O-N 3.01Å; K1454-N1458 VanDerWaalsContact O-N 3.1Å; K1454-N1458 PolarHBondContact O-ND2 3.17Å |
| 1455 | R | 84.1 | Confident | 79.9 | Confident | 94 Ų | 94 | 62 Ų | 62 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -50.8 | 176.5 | -167.2 | -171.6 | 72.4 | 77.3 | -1.2 | 110.3 | D1451 E1452 L1453 N1458 T1459 | D1451-R1455 PolarHBondContact O-N 2.83Å; E1452-R1455 VanDerWaalsContact CD-NE 3.26Å; E1452-R1455 WeakPolarHBondContact O-CA 3.4Å; E1452-R1455 WeakPolarHBondContact O-CB 3.26Å; E1452-R1455 PolarHBondContact O-N 3.17Å; E1452-R1455 VanDerWaalsContact O-N 3.08Å; E1452-R1455 IonicContact OE1-CZ 2.62Å; E1452-R1455 IonicContact OE1-NE 3.4Å; E1452-R1455 PolarHBondContact OE1-NE 2.86Å; E1452-R1455 IonicContact OE1-NH2 3.44Å; E1452-R1455 PolarHBondContact OE1-NH2 2.73Å; E1452-R1455 WeakPolarHBondContact OE2-CD 3.23Å; E1452-R1455 IonicContact OE2-CZ 2.58Å; E1452-R1455 IonicContact OE2-NE 2.77Å; E1452-R1455 PolarHBondContact OE2-NE 3.01Å; E1452-R1455 IonicContact OE2-NH2 3.03Å; L1453-R1455 VanDerWaalsContact C-N 3.33Å; L1453-R1455 PolarHBondContact O-N 2.93Å; R1455-N1458 PolarHBondContact O-N 3.31Å; R1455-T1459 VanDerWaalsContact O-CB 3.3Å; R1455-T1459 WeakPolarHBondContact O-CB 3.49Å; R1455-T1459 PolarHBondContact O-N 3.33Å; R1455-T1459 PolarHBondContact O-OG1 2.97Å |
| 1456 | L | 82.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 178 | -65.5 | 175.3 | 0 | 0 | 0 | 111.4 | E1452 L1453 N1458 T1459 F1460 V1480 Y1488 N1491 M1555 | E1452-L1456 WeakPolarHBondContact O-CG 3.4Å; E1452-L1456 PolarHBondContact O-N 2.93Å; L1453-L1456 PolarHBondContact O-N 2.76Å; L1456-N1458 VanDerWaalsContact C-N 3.31Å; L1456-N1458 PolarHBondContact O-N 3.35Å; L1456-T1459 PolarHBondContact O-N 3.35Å; L1456-F1460 HydrophobicContact CD2-CE2 4.49Å; L1456-F1460 PolarHBondContact O-N 2.94Å; L1456-V1480 HydrophobicContact CB-CG1 4.4Å; L1456-V1480 HydrophobicContact CD1-CG1 3.81Å; L1456-Y1488 HydrophobicContact CD2-CE1 3.86Å; L1456-N1491 HydrophobicContact CD1-CB 4.04Å; L1456-M1555 HydrophobicContact CB-CE 4.5Å; L1456-M1555 HydrophobicContact CD2-SD 4.37Å |
| 1457 | W | 84.1 | Confident | 82.4 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.4 | -47.6 | 178.2 | -169.8 | -79.9 | 0 | 0 | 0 | 112.8 | L1453 D1461 L1462 S1463 E1466 K1476 L1479 V1480 | L1453-W1457 WeakPolarHBondContact O-CB 3.44Å; L1453-W1457 PolarHBondContact O-N 3.2Å; W1457-D1461 WeakPolarHBondContact O-CA 3.34Å; W1457-D1461 PolarHBondContact O-N 3.3Å; W1457-D1461 VanDerWaalsContact O-N 3.15Å; W1457-L1462 HydrophobicContact CD2-CB 3.78Å; W1457-L1462 HydrophobicContact CD2-CD1 4.34Å; W1457-L1462 HydrophobicContact CE3-CB 3.84Å; W1457-L1462 HydrophobicContact CE3-CD1 3.8Å; W1457-L1462 HydrophobicContact CE3-CG 4.4Å; W1457-L1462 HydrophobicContact CG-CB 4.42Å; W1457-L1462 HydrophobicContact CH2-CB 3.78Å; W1457-L1462 VanDerWaalsContact CZ2-C 3.45Å; W1457-L1462 HydrophobicContact CZ2-CB 3.68Å; W1457-L1462 HydrophobicContact CZ3-CB 3.86Å; W1457-L1462 HydrophobicContact CZ3-CD1 4.05Å; W1457-L1462 PolarHBondContact O-N 3.14Å; W1457-S1463 PolarHBondContact NE1-OG 2.73Å; W1457-S1463 VanDerWaalsContact NE1-OG 3.07Å; W1457-E1466 VanDerWaalsContact CH2-CD 3.45Å; W1457-E1466 HydrophobicContact CH2-CG 3.78Å; W1457-E1466 WeakPolarHBondContact CH2-OE1 3.43Å; W1457-E1466 VanDerWaalsContact CZ2-CD 3.48Å; W1457-E1466 HydrophobicContact CZ2-CG 3.93Å; W1457-E1466 VanDerWaalsContact CZ2-OE2 3.32Å; W1457-E1466 WeakPolarHBondContact CZ2-OE2 3.37Å; W1457-K1476 HydrophobicContact CD2-CD 3.91Å; W1457-K1476 HydrophobicContact CD2-CG 4.48Å; W1457-K1476 HydrophobicContact CE3-CB 3.62Å; W1457-K1476 HydrophobicContact CE3-CD 3.83Å; W1457-K1476 HydrophobicContact CE3-CG 3.91Å; W1457-K1476 HydrophobicContact CH2-CB 4.28Å; W1457-K1476 HydrophobicContact CH2-CD 3.96Å; W1457-K1476 HydrophobicContact CH2-CG 3.83Å; W1457-K1476 HydrophobicContact CZ2-CD 4.05Å; W1457-K1476 HydrophobicContact CZ2-CG 4.43Å; W1457-K1476 HydrophobicContact CZ3-CB 3.47Å; W1457-K1476 VanDerWaalsContact CZ3-CB 3.47Å; W1457-K1476 HydrophobicContact CZ3-CD 3.84Å; W1457-K1476 HydrophobicContact CZ3-CG 3.54Å; W1457-L1479 HydrophobicContact CH2-CD2 3.74Å; W1457-L1479 HydrophobicContact CZ3-CB 4.37Å; W1457-L1479 HydrophobicContact CZ3-CD2 3.93Å; W1457-V1480 HydrophobicContact CE3-CG2 4.27Å |
| 1458 | N | 83.5 | Confident | 83.4 | Confident | 117 Ų | 117 | 62 Ų | 62 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -78.8 | -20.8 | -179.1 | -65.2 | -20.8 | 0 | 0 | 0 | 113.5 | K1454 R1455 L1456 | K1454-N1458 WeakPolarHBondContact O-CB 3.33Å; K1454-N1458 VanDerWaalsContact O-CG 3.23Å; K1454-N1458 PolarHBondContact O-N 3.01Å; K1454-N1458 VanDerWaalsContact O-N 3.1Å; K1454-N1458 PolarHBondContact O-ND2 3.17Å; R1455-N1458 PolarHBondContact O-N 3.31Å; L1456-N1458 VanDerWaalsContact C-N 3.31Å; L1456-N1458 PolarHBondContact O-N 3.35Å |
| 1459 | T | 79 | Confident | 84.2 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.1 | -36.3 | 179.5 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | R1455 L1456 | R1455-T1459 VanDerWaalsContact O-CB 3.3Å; R1455-T1459 WeakPolarHBondContact O-CB 3.49Å; R1455-T1459 PolarHBondContact O-N 3.33Å; R1455-T1459 PolarHBondContact O-OG1 2.97Å; L1456-T1459 PolarHBondContact O-N 3.35Å |
| 1460 | F | 80.7 | Confident | 84.9 | Confident | 46 Ų | 46 | 58 Ų | 58 | 20% | 0.202 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 1.9 | 179.1 | -67.5 | -87.4 | 0 | 0 | 0 | 113.6 | L1456 L1462 Y1488 Y1553 M1555 | L1456-F1460 HydrophobicContact CD2-CE2 4.49Å; L1456-F1460 PolarHBondContact O-N 2.94Å; F1460-L1462 HydrophobicContact CB-CD2 3.89Å; F1460-L1462 HydrophobicContact CB-CG 4.22Å; F1460-L1462 PolarHBondContact O-N 3.49Å; F1460-Y1488 HydrophobicContact CE2-CE1 4.45Å; F1460-Y1488 HydrophobicContact CE2-CE2 4.41Å; F1460-Y1488 AromaticContact CE2-CZ 3.86Å; F1460-Y1488 WeakPolarHBondContact CE2-OH 3.31Å; F1460-Y1488 AromaticContact CZ-CE2 3.85Å; F1460-Y1488 HydrophobicContact CZ-CE2 3.85Å; F1460-Y1488 AromaticContact CZ-CZ 3.77Å; F1460-Y1553 WeakPolarHBondContact O-CD1 3.45Å; F1460-M1555 HydrophobicContact CD1-CG 4.25Å; F1460-M1555 HydrophobicContact CD2-CE 3.76Å; F1460-M1555 HydrophobicContact CD2-CG 3.91Å; F1460-M1555 HydrophobicContact CD2-SD 3.8Å; F1460-M1555 HydrophobicContact CE1-CB 4.33Å; F1460-M1555 HydrophobicContact CE1-CG 3.96Å; F1460-M1555 HydrophobicContact CE2-CB 4.18Å; F1460-M1555 HydrophobicContact CE2-CE 4.23Å; F1460-M1555 HydrophobicContact CE2-CG 3.59Å; F1460-M1555 HydrophobicContact CE2-SD 3.62Å; F1460-M1555 HydrophobicContact CG-CE 4.22Å; F1460-M1555 HydrophobicContact CG-CG 4.23Å; F1460-M1555 HydrophobicContact CZ-CB 3.85Å; F1460-M1555 HydrophobicContact CZ-CG 3.62Å; F1460-M1555 HydrophobicContact CZ-SD 4.25Å |
| 1461 | D | 84.7 | Confident | 85.4 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 38.9 | 58.8 | -170 | -166.2 | 10.7 | 0 | 0 | 0 | 113.8 | W1457 S1463 Q1464 | W1457-D1461 WeakPolarHBondContact O-CA 3.34Å; W1457-D1461 PolarHBondContact O-N 3.3Å; W1457-D1461 VanDerWaalsContact O-N 3.15Å; D1461-S1463 PolarHBondContact O-N 3.48Å; D1461-S1463 VanDerWaalsContact OD1-CB 3.29Å; D1461-S1463 WeakPolarHBondContact OD1-CB 3.49Å; D1461-S1463 PolarHBondContact OD1-OG 2.8Å; D1461-Q1464 WeakPolarHBondContact O-CB 3.13Å; D1461-Q1464 PolarHBondContact O-N 3.21Å |
| 1462 | L | 88.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -14.1 | 179.5 | -60.1 | -176.6 | 0 | 0 | 0 | 113 | W1457 F1460 Q1464 F1465 E1466 L1479 V1480 L1483 Y1553 M1555 | W1457-L1462 HydrophobicContact CD2-CB 3.78Å; W1457-L1462 HydrophobicContact CD2-CD1 4.34Å; W1457-L1462 HydrophobicContact CE3-CB 3.84Å; W1457-L1462 HydrophobicContact CE3-CD1 3.8Å; W1457-L1462 HydrophobicContact CE3-CG 4.4Å; W1457-L1462 HydrophobicContact CG-CB 4.42Å; W1457-L1462 HydrophobicContact CH2-CB 3.78Å; W1457-L1462 VanDerWaalsContact CZ2-C 3.45Å; W1457-L1462 HydrophobicContact CZ2-CB 3.68Å; W1457-L1462 HydrophobicContact CZ3-CB 3.86Å; W1457-L1462 HydrophobicContact CZ3-CD1 4.05Å; W1457-L1462 PolarHBondContact O-N 3.14Å; F1460-L1462 HydrophobicContact CB-CD2 3.89Å; F1460-L1462 HydrophobicContact CB-CG 4.22Å; F1460-L1462 PolarHBondContact O-N 3.49Å; L1462-Q1464 VanDerWaalsContact C-N 3.27Å; L1462-Q1464 PolarHBondContact O-N 3.29Å; L1462-F1465 WeakPolarHBondContact O-CB 3.12Å; L1462-F1465 PolarHBondContact O-N 3.46Å; L1462-F1465 VanDerWaalsContact O-N 3.13Å; L1462-E1466 PolarHBondContact O-N 3.07Å; L1462-L1479 HydrophobicContact CB-CD2 4.07Å; L1462-L1479 HydrophobicContact CD1-CD2 4.4Å; L1462-L1479 HydrophobicContact CD1-CG 4.39Å; L1462-V1480 HydrophobicContact CD1-CG2 3.54Å; L1462-L1483 HydrophobicContact CD2-CD1 3.71Å; L1462-Y1553 HydrophobicContact CD2-CD1 4.22Å; L1462-M1555 HydrophobicContact CD1-CE 3.83Å; L1462-M1555 HydrophobicContact CD2-CE 4.38Å; L1462-M1555 HydrophobicContact CG-CE 4.49Å |
| 1463 | S | 88.8 | Confident | 86.7 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -34.2 | 168.5 | -3.8 | 0 | 0 | 0 | 0 | 112.2 | W1457 D1461 N1467 | W1457-S1463 PolarHBondContact NE1-OG 2.73Å; W1457-S1463 VanDerWaalsContact NE1-OG 3.07Å; D1461-S1463 PolarHBondContact O-N 3.48Å; D1461-S1463 VanDerWaalsContact OD1-CB 3.29Å; D1461-S1463 WeakPolarHBondContact OD1-CB 3.49Å; D1461-S1463 PolarHBondContact OD1-OG 2.8Å; S1463-N1467 VanDerWaalsContact O-CG 3.29Å; S1463-N1467 PolarHBondContact O-N 3.04Å; S1463-N1467 PolarHBondContact O-ND2 2.79Å; S1463-N1467 VanDerWaalsContact O-ND2 3.08Å |
| 1464 | Q | 88.9 | Confident | 86.9 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.9 | -32.9 | 172.6 | -169.9 | 173.2 | 64.2 | 0 | 0 | 111.6 | D1461 L1462 K1468 Y1553 | D1461-Q1464 WeakPolarHBondContact O-CB 3.13Å; D1461-Q1464 PolarHBondContact O-N 3.21Å; L1462-Q1464 VanDerWaalsContact C-N 3.27Å; L1462-Q1464 PolarHBondContact O-N 3.29Å; Q1464-K1468 WeakPolarHBondContact O-CB 3.34Å; Q1464-K1468 PolarHBondContact O-N 3.27Å; Q1464-Y1553 HydrophobicContact CB-CE1 4.21Å; Q1464-Y1553 WeakPolarHBondContact CG-OH 3.49Å; Q1464-Y1553 PolarHBondContact OE1-OH 3.02Å; Q1464-Y1553 VanDerWaalsContact OE1-OH 3.08Å |
| 1465 | F | 90.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -47.4 | 174 | -171.5 | -97.8 | 0 | 0 | 0 | 112.3 | L1462 N1467 K1468 I1469 L1479 L1483 F1550 Y1553 V1612 | L1462-F1465 WeakPolarHBondContact O-CB 3.12Å; L1462-F1465 PolarHBondContact O-N 3.46Å; L1462-F1465 VanDerWaalsContact O-N 3.13Å; F1465-N1467 VanDerWaalsContact C-N 3.32Å; F1465-N1467 PolarHBondContact O-N 2.91Å; F1465-K1468 WeakPolarHBondContact O-CA 3.17Å; F1465-K1468 WeakPolarHBondContact O-CB 3.22Å; F1465-K1468 PolarHBondContact O-N 2.98Å; F1465-I1469 HydrophobicContact CD1-CD1 4.23Å; F1465-I1469 HydrophobicContact CD1-CG2 4.34Å; F1465-I1469 HydrophobicContact CE1-CD1 3.9Å; F1465-I1469 HydrophobicContact CE1-CG1 4.43Å; F1465-I1469 HydrophobicContact CE1-CG2 3.82Å; F1465-I1469 HydrophobicContact CE2-CG2 4.18Å; F1465-I1469 HydrophobicContact CZ-CG2 3.73Å; F1465-I1469 PolarHBondContact O-N 3.45Å; F1465-L1479 HydrophobicContact CD1-CD1 3.73Å; F1465-L1479 HydrophobicContact CD1-CD2 3.92Å; F1465-L1479 HydrophobicContact CD1-CG 4.43Å; F1465-L1479 HydrophobicContact CE1-CD1 3.61Å; F1465-L1483 HydrophobicContact CD1-CD1 4.36Å; F1465-L1483 HydrophobicContact CE1-CD1 4.42Å; F1465-F1550 HydrophobicContact CE2-CB 4.37Å; F1465-F1550 AromaticContact CE2-CD1 3.61Å; F1465-F1550 HydrophobicContact CE2-CD1 3.61Å; F1465-F1550 HydrophobicContact CE2-CD2 4.31Å; F1465-F1550 AromaticContact CE2-CE1 3.91Å; F1465-F1550 HydrophobicContact CE2-CE1 3.91Å; F1465-F1550 AromaticContact CE2-CG 3.82Å; F1465-F1550 HydrophobicContact CE2-CG 3.82Å; F1465-F1550 HydrophobicContact CE2-CZ 4.38Å; F1465-F1550 AromaticContact CZ-CD1 3.93Å; F1465-F1550 HydrophobicContact CZ-CD1 3.93Å; F1465-F1550 HydrophobicContact CZ-CD2 4.02Å; F1465-F1550 AromaticContact CZ-CE1 3.87Å; F1465-F1550 HydrophobicContact CZ-CE1 3.87Å; F1465-F1550 AromaticContact CZ-CE2 3.96Å; F1465-F1550 HydrophobicContact CZ-CE2 3.96Å; F1465-F1550 HydrophobicContact CZ-CG 4Å; F1465-F1550 AromaticContact CZ-CZ 3.88Å; F1465-F1550 HydrophobicContact CZ-CZ 3.88Å; F1465-Y1553 HydrophobicContact CB-CD1 3.91Å; F1465-Y1553 HydrophobicContact CB-CD2 4.34Å; F1465-Y1553 HydrophobicContact CB-CE1 4Å; F1465-Y1553 HydrophobicContact CB-CE2 4.44Å; F1465-Y1553 HydrophobicContact CB-CG 4.08Å; F1465-Y1553 AromaticContact CD2-CD2 3.52Å; F1465-Y1553 HydrophobicContact CD2-CD2 3.52Å; F1465-Y1553 AromaticContact CD2-CE2 3.89Å; F1465-Y1553 HydrophobicContact CD2-CE2 3.89Å; F1465-Y1553 AromaticContact CD2-CG 3.89Å; F1465-Y1553 HydrophobicContact CD2-CG 3.89Å; F1465-Y1553 HydrophobicContact CE2-CD2 4.29Å; F1465-Y1553 HydrophobicContact CG-CD2 4.34Å; F1465-Y1553 HydrophobicContact CG-CG 4.32Å; F1465-V1612 HydrophobicContact CE1-CG1 4.2Å; F1465-V1612 HydrophobicContact CZ-CG1 4.4Å; F1465-V1612 HydrophobicContact CZ-CG2 4.46Å |
| 1466 | E | 91.2 | Very high | 87.4 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -49.1 | -52.7 | 173.9 | -74.5 | -172.1 | 138.2 | 0 | 0 | 111.5 | W1457 L1462 K1468 I1469 G1470 Y1471 F1473 K1476 L1479 | W1457-E1466 VanDerWaalsContact CH2-CD 3.45Å; W1457-E1466 HydrophobicContact CH2-CG 3.78Å; W1457-E1466 WeakPolarHBondContact CH2-OE1 3.43Å; W1457-E1466 VanDerWaalsContact CZ2-CD 3.48Å; W1457-E1466 HydrophobicContact CZ2-CG 3.93Å; W1457-E1466 VanDerWaalsContact CZ2-OE2 3.32Å; W1457-E1466 WeakPolarHBondContact CZ2-OE2 3.37Å; L1462-E1466 PolarHBondContact O-N 3.07Å; E1466-K1468 PolarHBondContact O-N 3.22Å; E1466-I1469 WeakPolarHBondContact O-CG1 3.32Å; E1466-I1469 PolarHBondContact O-N 2.87Å; E1466-G1470 PolarHBondContact O-N 2.91Å; E1466-Y1471 CarbonylContact C-O 3.59Å; E1466-Y1471 VanDerWaalsContact CA-O 3.28Å; E1466-Y1471 WeakPolarHBondContact CA-O 3.38Å; E1466-Y1471 VanDerWaalsContact CB-O 3.31Å; E1466-Y1471 WeakPolarHBondContact CB-O 3.49Å; E1466-Y1471 PolarHBondContact O-N 2.91Å; E1466-F1473 HydrophobicContact CG-CD2 4.29Å; E1466-F1473 PolarHBondContact OE1-N 2.88Å; E1466-K1476 IonicContact OE1-NZ 3.21Å; E1466-K1476 PolarHBondContact OE1-NZ 3.41Å; E1466-K1476 IonicContact OE2-NZ 2.72Å; E1466-K1476 PolarHBondContact OE2-NZ 3.02Å; E1466-L1479 HydrophobicContact CG-CD2 4.34Å |
| 1467 | N | 88.2 | Confident | 87.7 | Confident | 129 Ų | 129 | 60.1 Ų | 60.1 | 69% | 0.69 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.5 | -23.1 | 179 | -67.9 | -28.3 | 0 | 0 | 0 | 113.5 | S1463 F1465 | S1463-N1467 VanDerWaalsContact O-CG 3.29Å; S1463-N1467 PolarHBondContact O-N 3.04Å; S1463-N1467 PolarHBondContact O-ND2 2.79Å; S1463-N1467 VanDerWaalsContact O-ND2 3.08Å; F1465-N1467 VanDerWaalsContact C-N 3.32Å; F1465-N1467 PolarHBondContact O-N 2.91Å |
| 1468 | K | 87.4 | Confident | 88.1 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -90.9 | -32 | -175.9 | -165.4 | 179.9 | -174.2 | -169.6 | 0 | 113.3 | Q1464 F1465 E1466 F1548 | Q1464-K1468 WeakPolarHBondContact O-CB 3.34Å; Q1464-K1468 PolarHBondContact O-N 3.27Å; F1465-K1468 WeakPolarHBondContact O-CA 3.17Å; F1465-K1468 WeakPolarHBondContact O-CB 3.22Å; F1465-K1468 PolarHBondContact O-N 2.98Å; E1466-K1468 PolarHBondContact O-N 3.22Å; K1468-F1548 VanDerWaalsContact CE-O 3.25Å; K1468-F1548 WeakPolarHBondContact CE-O 3.4Å; K1468-F1548 PolarHBondContact NZ-O 3.35Å |
| 1469 | I | 89.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 54.6 Ų | 54.6 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -84.2 | -13.8 | 170 | 63.9 | 168.8 | 0 | 0 | 0 | 112.5 | F1465 E1466 F1473 F1550 I1616 V1630 | F1465-I1469 HydrophobicContact CD1-CD1 4.23Å; F1465-I1469 HydrophobicContact CD1-CG2 4.34Å; F1465-I1469 HydrophobicContact CE1-CD1 3.9Å; F1465-I1469 HydrophobicContact CE1-CG1 4.43Å; F1465-I1469 HydrophobicContact CE1-CG2 3.82Å; F1465-I1469 HydrophobicContact CE2-CG2 4.18Å; F1465-I1469 HydrophobicContact CZ-CG2 3.73Å; F1465-I1469 PolarHBondContact O-N 3.45Å; E1466-I1469 WeakPolarHBondContact O-CG1 3.32Å; E1466-I1469 PolarHBondContact O-N 2.87Å; I1469-F1473 HydrophobicContact CD1-CE2 4.12Å; I1469-F1550 HydrophobicContact CG2-CE1 4.2Å; I1469-F1550 HydrophobicContact CG2-CZ 4.31Å; I1469-I1616 HydrophobicContact CD1-CD1 4.21Å; I1469-V1630 HydrophobicContact CB-CG1 4.17Å |
| 1470 | G | 87.3 | Confident | 89.2 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 26.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1466 | E1466-G1470 PolarHBondContact O-N 2.91Š|
| 1471 | Y | 90.9 | Very high | 89.7 | Confident | 25 Ų | 25 | 49 Ų | 49 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | trans | -135.9 | 142 | 179.3 | -174.6 | -92.1 | 0 | 0 | 0 | 110.6 | E1466 F1473 I1616 D1619 V1630 | E1466-Y1471 CarbonylContact C-O 3.59Å; E1466-Y1471 VanDerWaalsContact CA-O 3.28Å; E1466-Y1471 WeakPolarHBondContact CA-O 3.38Å; E1466-Y1471 VanDerWaalsContact CB-O 3.31Å; E1466-Y1471 WeakPolarHBondContact CB-O 3.49Å; E1466-Y1471 PolarHBondContact O-N 2.91Å; Y1471-F1473 HydrophobicContact CD1-CD1 4.48Å; Y1471-F1473 AromaticContact CD1-CD2 3.86Å; Y1471-F1473 HydrophobicContact CD1-CD2 3.86Å; Y1471-F1473 HydrophobicContact CD1-CE1 4.41Å; Y1471-F1473 AromaticContact CD1-CE2 3.79Å; Y1471-F1473 HydrophobicContact CD1-CE2 3.79Å; Y1471-F1473 HydrophobicContact CD1-CG 4.22Å; Y1471-F1473 HydrophobicContact CD1-CZ 4.08Å; Y1471-F1473 AromaticContact CE1-CD1 3.97Å; Y1471-F1473 HydrophobicContact CE1-CD1 3.97Å; Y1471-F1473 HydrophobicContact CE1-CD2 4.1Å; Y1471-F1473 HydrophobicContact CE1-CE1 4.08Å; Y1471-F1473 HydrophobicContact CE1-CE2 4.22Å; Y1471-F1473 AromaticContact CE1-CG 3.97Å; Y1471-F1473 HydrophobicContact CE1-CG 3.97Å; Y1471-F1473 HydrophobicContact CE1-CZ 4.22Å; Y1471-I1616 HydrophobicContact CD1-CG1 4.02Å; Y1471-I1616 HydrophobicContact CD1-CG2 4.5Å; Y1471-I1616 HydrophobicContact CD2-CG2 4.2Å; Y1471-I1616 HydrophobicContact CE1-CG1 4.26Å; Y1471-I1616 HydrophobicContact CE1-CG2 4.34Å; Y1471-I1616 HydrophobicContact CE2-CG2 4.01Å; Y1471-I1616 HydrophobicContact CG-CG1 4.4Å; Y1471-I1616 HydrophobicContact CG-CG2 4.45Å; Y1471-D1619 HydrophobicContact CE1-CB 4.42Å; Y1471-D1619 WeakPolarHBondContact CE1-OD2 3.04Å; Y1471-D1619 PolarHBondContact OH-OD2 3.46Å; Y1471-V1630 HydrophobicContact CD2-CG2 4.15Å; Y1471-V1630 HydrophobicContact CG-CG2 4.29Å | ||
| 1472 | R | 91.7 | Very high | 90.1 | Very high | 187 Ų | 187 | 45.4 Ų | 45.4 | 71% | 0.706 | 22% | 0.218 | S | C | * | . | trans | -124.3 | 113 | -173 | -155.4 | -178.1 | -158.4 | -171.3 | 7.7 | 109.3 | ||||
| 1473 | F | 90.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 4% | 0.044 | 22% | 0.218 | C | C | . | . | trans | -73.4 | 130.4 | -171.7 | -76.6 | -96.2 | 0 | 0 | 0 | 111.3 | E1466 I1469 Y1471 L1479 A1615 I1616 D1619 | E1466-F1473 HydrophobicContact CG-CD2 4.29Å; E1466-F1473 PolarHBondContact OE1-N 2.88Å; I1469-F1473 HydrophobicContact CD1-CE2 4.12Å; Y1471-F1473 HydrophobicContact CD1-CD1 4.48Å; Y1471-F1473 AromaticContact CD1-CD2 3.86Å; Y1471-F1473 HydrophobicContact CD1-CD2 3.86Å; Y1471-F1473 HydrophobicContact CD1-CE1 4.41Å; Y1471-F1473 AromaticContact CD1-CE2 3.79Å; Y1471-F1473 HydrophobicContact CD1-CE2 3.79Å; Y1471-F1473 HydrophobicContact CD1-CG 4.22Å; Y1471-F1473 HydrophobicContact CD1-CZ 4.08Å; Y1471-F1473 AromaticContact CE1-CD1 3.97Å; Y1471-F1473 HydrophobicContact CE1-CD1 3.97Å; Y1471-F1473 HydrophobicContact CE1-CD2 4.1Å; Y1471-F1473 HydrophobicContact CE1-CE1 4.08Å; Y1471-F1473 HydrophobicContact CE1-CE2 4.22Å; Y1471-F1473 AromaticContact CE1-CG 3.97Å; Y1471-F1473 HydrophobicContact CE1-CG 3.97Å; Y1471-F1473 HydrophobicContact CE1-CZ 4.22Å; F1473-L1479 HydrophobicContact CD1-CB 4.35Å; F1473-L1479 HydrophobicContact CD2-CB 3.94Å; F1473-L1479 HydrophobicContact CD2-CD2 3.98Å; F1473-L1479 HydrophobicContact CD2-CG 4.43Å; F1473-L1479 HydrophobicContact CE1-CB 4.25Å; F1473-L1479 HydrophobicContact CE2-CB 3.82Å; F1473-L1479 HydrophobicContact CE2-CD1 3.92Å; F1473-L1479 HydrophobicContact CE2-CD2 3.9Å; F1473-L1479 HydrophobicContact CE2-CG 4.08Å; F1473-L1479 HydrophobicContact CG-CB 4.21Å; F1473-L1479 HydrophobicContact CZ-CB 3.98Å; F1473-L1479 HydrophobicContact CZ-CD1 4.14Å; F1473-A1615 HydrophobicContact CE1-CB 3.92Å; F1473-A1615 HydrophobicContact CZ-CB 4.21Å; F1473-I1616 HydrophobicContact CE1-CG1 4.17Å; F1473-I1616 HydrophobicContact CE2-CG1 4.48Å; F1473-I1616 HydrophobicContact CZ-CG1 3.67Å; F1473-D1619 WeakPolarHBondContact CA-OD2 3.47Å; F1473-D1619 HydrophobicContact CD1-CB 3.73Å; F1473-D1619 HydrophobicContact CE1-CB 4.07Å | ||
| 1474 | Q | 89 | Confident | 90.4 | Very high | 170 Ų | 170 | 43.6 Ų | 43.6 | 79% | 0.794 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -67.9 | -46 | 169.2 | -57.8 | -169.6 | 32.2 | 0 | 0 | 109.7 | D1619 | Q1474-D1619 PolarHBondContact N-OD1 3.12Å; Q1474-D1619 PolarHBondContact N-OD2 3.46Å |
| 1475 | N | 88.1 | Confident | 90.2 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 20% | 0.198 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -110.7 | 95.9 | 173.1 | -172.7 | -1.4 | 0 | 0 | 0 | 111.6 | L1440 P1441 A1477 Y1478 D1619 | L1440-N1475 WeakPolarHBondContact CD2-ND2 3.4Å; P1441-N1475 WeakPolarHBondContact CD-ND2 3.44Å; N1475-A1477 PolarHBondContact O-N 2.68Å; N1475-A1477 WeakPolarHBondContact OD1-CB 3.5Å; N1475-A1477 PolarHBondContact OD1-N 2.66Å; N1475-A1477 VanDerWaalsContact OD1-N 3.14Å; N1475-Y1478 HydrophobicContact CB-CD2 3.9Å; N1475-Y1478 HydrophobicContact CB-CE2 4.06Å; N1475-Y1478 PolarHBondContact O-N 3.22Å; N1475-D1619 PolarHBondContact N-OD1 3.31Å |
| 1476 | K | 89.7 | Confident | 89.7 | Confident | 69 Ų | 69 | 39 Ų | 39 | 30% | 0.3 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.4 | -17.4 | 178.1 | -69.8 | -173.2 | 173.6 | -61.5 | 0 | 115.4 | W1457 E1466 V1480 | W1457-K1476 HydrophobicContact CD2-CD 3.91Å; W1457-K1476 HydrophobicContact CD2-CG 4.48Å; W1457-K1476 HydrophobicContact CE3-CB 3.62Å; W1457-K1476 HydrophobicContact CE3-CD 3.83Å; W1457-K1476 HydrophobicContact CE3-CG 3.91Å; W1457-K1476 HydrophobicContact CH2-CB 4.28Å; W1457-K1476 HydrophobicContact CH2-CD 3.96Å; W1457-K1476 HydrophobicContact CH2-CG 3.83Å; W1457-K1476 HydrophobicContact CZ2-CD 4.05Å; W1457-K1476 HydrophobicContact CZ2-CG 4.43Å; W1457-K1476 HydrophobicContact CZ3-CB 3.47Å; W1457-K1476 VanDerWaalsContact CZ3-CB 3.47Å; W1457-K1476 HydrophobicContact CZ3-CD 3.84Å; W1457-K1476 HydrophobicContact CZ3-CG 3.54Å; E1466-K1476 IonicContact OE1-NZ 3.21Å; E1466-K1476 PolarHBondContact OE1-NZ 3.41Å; E1466-K1476 IonicContact OE2-NZ 2.72Å; E1466-K1476 PolarHBondContact OE2-NZ 3.02Å; K1476-V1480 PolarHBondContact O-N 3.43Å |
| 1477 | A | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.7 | -27.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1441 L1442 L1453 N1475 V1480 Q1481 T1494 | P1441-A1477 HydrophobicContact CG-CB 3.69Å; L1442-A1477 HydrophobicContact CD1-CB 4.22Å; L1453-A1477 HydrophobicContact CD1-CB 3.89Å; L1453-A1477 HydrophobicContact CD2-CB 4.05Å; N1475-A1477 PolarHBondContact O-N 2.68Å; N1475-A1477 WeakPolarHBondContact OD1-CB 3.5Å; N1475-A1477 PolarHBondContact OD1-N 2.66Å; N1475-A1477 VanDerWaalsContact OD1-N 3.14Å; A1477-V1480 PolarHBondContact O-N 2.81Å; A1477-Q1481 PolarHBondContact O-N 3.44Å; A1477-T1494 HydrophobicContact CB-CG2 3.78Å |
| 1478 | Y | 91.9 | Very high | 88.2 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 174.9 | -72.8 | -59.5 | 0 | 0 | 0 | 112 | P1441 N1475 Q1481 A1482 L1618 D1619 | P1441-Y1478 HydrophobicContact CB-CD1 3.96Å; P1441-Y1478 HydrophobicContact CB-CE1 4.05Å; P1441-Y1478 HydrophobicContact CG-CD1 3.53Å; P1441-Y1478 HydrophobicContact CG-CD2 4.41Å; P1441-Y1478 HydrophobicContact CG-CE1 3.62Å; P1441-Y1478 HydrophobicContact CG-CG 3.93Å; N1475-Y1478 HydrophobicContact CB-CD2 3.9Å; N1475-Y1478 HydrophobicContact CB-CE2 4.06Å; N1475-Y1478 PolarHBondContact O-N 3.22Å; Y1478-Q1481 PolarHBondContact O-N 3.04Å; Y1478-A1482 PolarHBondContact O-N 3.44Å; Y1478-L1618 HydrophobicContact CD1-CB 4.08Å; Y1478-L1618 HydrophobicContact CD1-CD1 4.15Å; Y1478-L1618 HydrophobicContact CE1-CB 3.61Å; Y1478-L1618 HydrophobicContact CE1-CD1 3.71Å; Y1478-L1618 HydrophobicContact CE1-CG 4.31Å; Y1478-L1618 HydrophobicContact CE2-CB 4.17Å; Y1478-D1619 HydrophobicContact CD2-CB 3.79Å; Y1478-D1619 HydrophobicContact CE2-CB 4.27Å |
| 1479 | L | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 177.7 | -178.1 | 60.6 | 0 | 0 | 0 | 112.3 | W1457 L1462 F1465 E1466 F1473 Q1481 A1482 L1483 V1612 | W1457-L1479 HydrophobicContact CH2-CD2 3.74Å; W1457-L1479 HydrophobicContact CZ3-CB 4.37Å; W1457-L1479 HydrophobicContact CZ3-CD2 3.93Å; L1462-L1479 HydrophobicContact CB-CD2 4.07Å; L1462-L1479 HydrophobicContact CD1-CD2 4.4Å; L1462-L1479 HydrophobicContact CD1-CG 4.39Å; F1465-L1479 HydrophobicContact CD1-CD1 3.73Å; F1465-L1479 HydrophobicContact CD1-CD2 3.92Å; F1465-L1479 HydrophobicContact CD1-CG 4.43Å; F1465-L1479 HydrophobicContact CE1-CD1 3.61Å; E1466-L1479 HydrophobicContact CG-CD2 4.34Å; F1473-L1479 HydrophobicContact CD1-CB 4.35Å; F1473-L1479 HydrophobicContact CD2-CB 3.94Å; F1473-L1479 HydrophobicContact CD2-CD2 3.98Å; F1473-L1479 HydrophobicContact CD2-CG 4.43Å; F1473-L1479 HydrophobicContact CE1-CB 4.25Å; F1473-L1479 HydrophobicContact CE2-CB 3.82Å; F1473-L1479 HydrophobicContact CE2-CD1 3.92Å; F1473-L1479 HydrophobicContact CE2-CD2 3.9Å; F1473-L1479 HydrophobicContact CE2-CG 4.08Å; F1473-L1479 HydrophobicContact CG-CB 4.21Å; F1473-L1479 HydrophobicContact CZ-CB 3.98Å; F1473-L1479 HydrophobicContact CZ-CD1 4.14Å; L1479-Q1481 VanDerWaalsContact C-N 3.33Å; L1479-Q1481 PolarHBondContact O-N 2.59Å; L1479-A1482 PolarHBondContact O-N 2.87Å; L1479-L1483 HydrophobicContact CD1-CD1 3.7Å; L1479-L1483 HydrophobicContact CD1-CG 4.07Å; L1479-L1483 HydrophobicContact CG-CD1 4.07Å; L1479-L1483 PolarHBondContact O-N 3.38Å; L1479-V1612 HydrophobicContact CD1-CG2 4.41Å |
| 1480 | V | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -37.4 | 175.2 | 172 | 0 | 0 | 0 | 0 | 111.3 | L1453 L1456 W1457 L1462 K1476 A1477 C1484 M1555 | L1453-V1480 HydrophobicContact CD1-CB 3.85Å; L1453-V1480 HydrophobicContact CD1-CG1 4.1Å; L1453-V1480 HydrophobicContact CD1-CG2 3.67Å; L1456-V1480 HydrophobicContact CB-CG1 4.4Å; L1456-V1480 HydrophobicContact CD1-CG1 3.81Å; W1457-V1480 HydrophobicContact CE3-CG2 4.27Å; L1462-V1480 HydrophobicContact CD1-CG2 3.54Å; K1476-V1480 PolarHBondContact O-N 3.43Å; A1477-V1480 PolarHBondContact O-N 2.81Å; V1480-C1484 WeakPolarHBondContact O-CB 3.14Å; V1480-C1484 PolarHBondContact O-N 3.01Å; V1480-M1555 HydrophobicContact CG1-CE 4.21Å; V1480-M1555 HydrophobicContact CG2-CE 4.35Å |
| 1481 | Q | 91.8 | Very high | 85.6 | Confident | 9 Ų | 9 | 33 Ų | 33 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -49.8 | 172.1 | -179.8 | 176.6 | -7.3 | 0 | 0 | 112 | A1477 Y1478 L1479 L1483 C1484 D1495 C1496 Y1497 L1500 | A1477-Q1481 PolarHBondContact O-N 3.44Å; Y1478-Q1481 PolarHBondContact O-N 3.04Å; L1479-Q1481 VanDerWaalsContact C-N 3.33Å; L1479-Q1481 PolarHBondContact O-N 2.59Å; Q1481-L1483 VanDerWaalsContact C-N 3.32Å; Q1481-L1483 PolarHBondContact O-N 3.24Å; Q1481-C1484 PolarHBondContact O-N 3.4Å; Q1481-C1484 VanDerWaalsContact O-N 3.14Å; Q1481-D1495 HydrophobicContact CG-CB 4.4Å; Q1481-D1495 WeakPolarHBondContact CG-O 3.47Å; Q1481-C1496 VanDerWaalsContact CG-O 3.31Å; Q1481-C1496 WeakPolarHBondContact CG-O 3.43Å; Q1481-C1496 PolarHBondContact NE2-O 3.11Å; Q1481-Y1497 WeakPolarHBondContact O-CA 3.46Å; Q1481-Y1497 WeakPolarHBondContact O-CB 3.43Å; Q1481-Y1497 PolarHBondContact O-N 2.9Å; Q1481-L1500 HydrophobicContact CB-CD1 3.95Å; Q1481-L1500 HydrophobicContact CG-CD1 3.64Å; Q1481-L1500 HydrophobicContact CG-CG 4.27Å |
| 1482 | A | 93.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60 | -38.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1478 L1479 C1484 Y1497 L1500 S1611 V1612 A1615 | Y1478-A1482 PolarHBondContact O-N 3.44Å; L1479-A1482 PolarHBondContact O-N 2.87Å; A1482-C1484 VanDerWaalsContact C-N 3.33Å; A1482-C1484 PolarHBondContact O-N 3.19Å; A1482-Y1497 WeakPolarHBondContact O-CB 3.32Å; A1482-L1500 HydrophobicContact CB-CD1 4.06Å; A1482-S1611 WeakPolarHBondContact CA-OG 3.38Å; A1482-S1611 WeakPolarHBondContact CB-OG 3.35Å; A1482-S1611 PolarHBondContact O-OG 3.18Å; A1482-V1612 HydrophobicContact CB-CG2 3.84Å; A1482-A1615 HydrophobicContact CB-CB 3.92Å |
| 1483 | L | 92.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 7.6 | 179.1 | -66.2 | 174 | 0 | 0 | 0 | 113.9 | L1462 F1465 L1479 Q1481 F1554 M1555 V1612 | L1462-L1483 HydrophobicContact CD2-CD1 3.71Å; F1465-L1483 HydrophobicContact CD1-CD1 4.36Å; F1465-L1483 HydrophobicContact CE1-CD1 4.42Å; L1479-L1483 HydrophobicContact CD1-CD1 3.7Å; L1479-L1483 HydrophobicContact CD1-CG 4.07Å; L1479-L1483 HydrophobicContact CG-CD1 4.07Å; L1479-L1483 PolarHBondContact O-N 3.38Å; Q1481-L1483 VanDerWaalsContact C-N 3.32Å; Q1481-L1483 PolarHBondContact O-N 3.24Å; L1483-F1554 WeakPolarHBondContact O-CD2 3.45Å; L1483-M1555 PolarHBondContact O-N 3.07Å; L1483-V1612 HydrophobicContact CD2-CG2 4.1Å; L1483-V1612 HydrophobicContact CG-CG2 4.41Å |
| 1484 | C | 88.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -110 | 112.1 | -174.7 | -169.5 | 0 | 0 | 0 | 0 | 114.2 | V1480 Q1481 A1482 N1491 Y1497 M1555 | V1480-C1484 WeakPolarHBondContact O-CB 3.14Å; V1480-C1484 PolarHBondContact O-N 3.01Å; Q1481-C1484 PolarHBondContact O-N 3.4Å; Q1481-C1484 VanDerWaalsContact O-N 3.14Å; A1482-C1484 VanDerWaalsContact C-N 3.33Å; A1482-C1484 PolarHBondContact O-N 3.19Å; C1484-N1491 WeakPolarHBondContact SG-CB 3.34Å; C1484-N1491 PolarHBondContact SG-ND2 2.89Å; C1484-Y1497 WeakPolarHBondContact O-CD1 3.46Å; C1484-Y1497 PolarHBondContact O-N 3.14Å; C1484-M1555 HydrophobicContact CB-CB 4.49Å |
| 1485 | H | 86.4 | Confident | 83 | Confident | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.009 | 8% | 0.082 | C | C | . | . | trans | -71.5 | 149.5 | 175.5 | -162.6 | -115.9 | 0 | 0 | 0 | 112.4 | S1487 Y1488 Y1497 F1554 M1555 V1556 | H1485-S1487 WeakPolarHBondContact ND1-CB 3.36Å; H1485-S1487 PolarHBondContact ND1-N 3.41Å; H1485-S1487 PolarHBondContact ND1-OG 3.47Å; H1485-S1487 PolarHBondContact O-N 2.99Å; H1485-Y1488 WeakPolarHBondContact O-CB 3.36Å; H1485-Y1488 PolarHBondContact O-N 3.15Å; H1485-Y1497 AromaticContact CD2-CE1 3.52Å; H1485-F1554 HydrophobicContact CB-CE2 3.78Å; H1485-F1554 HydrophobicContact CB-CZ 3.6Å; H1485-F1554 AromaticContact CD2-CZ 3.79Å; H1485-F1554 AromaticContact CG-CZ 3.86Å; H1485-M1555 VanDerWaalsContact CB-O 3.32Å; H1485-M1555 WeakPolarHBondContact CB-O 3.41Å; H1485-M1555 PolarHBondContact N-O 2.92Å; H1485-V1556 HydrophobicContact CB-CB 4.2Å; H1485-V1556 HydrophobicContact CB-CG2 4.25Å | ||
| 1486 | T | 79.1 | Confident | 82.8 | Confident | 17 Ų | 17 | 14.6 Ų | 14.6 | 10% | 0.104 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.2 | 176.3 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | T488 N517 C1496 Q1498 | T488-T1486 WeakPolarHBondContact CG2-OG1 3.47Å; N517-T1486 WeakPolarHBondContact ND2-CG2 3.37Å; N517-T1486 WeakPolarHBondContact OD1-CG2 3.37Å; T1486-C1496 HydrophobicContact CG2-CB 3.57Å; T1486-Q1498 HydrophobicContact CG2-CG 4.31Å; T1486-Q1498 VanDerWaalsContact CG2-OE1 3.25Å |
| 1487 | S | 70.8 | Confident | 82.9 | Confident | 20 Ų | 20 | 11.5 Ų | 11.5 | 14% | 0.14 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -25.2 | 171.1 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | H1485 S1489 L1557 | H1485-S1487 WeakPolarHBondContact ND1-CB 3.36Å; H1485-S1487 PolarHBondContact ND1-N 3.41Å; H1485-S1487 PolarHBondContact ND1-OG 3.47Å; H1485-S1487 PolarHBondContact O-N 2.99Å; S1487-S1489 VanDerWaalsContact C-N 3.28Å; S1487-S1489 PolarHBondContact O-N 2.79Å; S1487-L1557 PolarHBondContact OG-N 3.47Å |
| 1488 | Y | 76.6 | Confident | 82.9 | Confident | 20 Ų | 20 | 12.3 Ų | 12.3 | 8% | 0.078 | 6% | 0.064 | C | C | . | . | trans | -80.6 | 72.2 | -165.5 | -166.9 | -92.4 | 0 | 0 | 0 | 111.9 | L1456 F1460 H1485 Y1490 N1491 M1555 L1557 | L1456-Y1488 HydrophobicContact CD2-CE1 3.86Å; F1460-Y1488 HydrophobicContact CE2-CE1 4.45Å; F1460-Y1488 HydrophobicContact CE2-CE2 4.41Å; F1460-Y1488 AromaticContact CE2-CZ 3.86Å; F1460-Y1488 WeakPolarHBondContact CE2-OH 3.31Å; F1460-Y1488 AromaticContact CZ-CE2 3.85Å; F1460-Y1488 HydrophobicContact CZ-CE2 3.85Å; F1460-Y1488 AromaticContact CZ-CZ 3.77Å; H1485-Y1488 WeakPolarHBondContact O-CB 3.36Å; H1485-Y1488 PolarHBondContact O-N 3.15Å; Y1488-Y1490 HydrophobicContact CE1-CD2 4.12Å; Y1488-Y1490 HydrophobicContact CE1-CG 4.44Å; Y1488-Y1490 AromaticContact CE2-CD2 3.98Å; Y1488-Y1490 HydrophobicContact CE2-CD2 3.98Å; Y1488-Y1490 AromaticContact CZ-CD2 3.73Å; Y1488-Y1490 PolarHBondContact O-N 3.12Å; Y1488-N1491 HydrophobicContact CD1-CB 3.97Å; Y1488-N1491 HydrophobicContact CE1-CB 4.48Å; Y1488-N1491 PolarHBondContact O-N 3.13Å; Y1488-M1555 WeakPolarHBondContact CB-O 3.26Å; Y1488-M1555 HydrophobicContact CD1-CB 3.87Å; Y1488-M1555 HydrophobicContact CD2-CB 3.76Å; Y1488-M1555 HydrophobicContact CE1-CB 4.11Å; Y1488-M1555 HydrophobicContact CE1-SD 4.32Å; Y1488-M1555 HydrophobicContact CE2-CB 4.03Å; Y1488-M1555 HydrophobicContact CG-CB 3.72Å; Y1488-L1557 HydrophobicContact CD2-CD1 4.28Å; Y1488-L1557 HydrophobicContact CD2-CD2 4.2Å; Y1488-L1557 HydrophobicContact CD2-CG 3.73Å; Y1488-L1557 HydrophobicContact CE2-CD2 4.31Å; Y1488-L1557 HydrophobicContact CE2-CG 4.28Å; Y1488-L1557 HydrophobicContact CG-CG 4.44Å | ||
| 1489 | S | 67.9 | Low | 82.8 | Confident | 58 Ų | 58 | 12.4 Ų | 12.4 | 41% | 0.406 | 6% | 0.064 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -11.8 | -172.4 | 59.1 | 0 | 0 | 0 | 0 | 116.5 | S1487 R1492 | S1487-S1489 VanDerWaalsContact C-N 3.28Å; S1487-S1489 PolarHBondContact O-N 2.79Å; S1489-R1492 PolarHBondContact O-NE 2.79Å |
| 1490 | Y | 67.9 | Low | 82.8 | Confident | 52 Ų | 52 | 12.4 Ų | 12.4 | 20% | 0.204 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -28.2 | 173.1 | -56.5 | -74.3 | 0 | 0 | 0 | 113 | Y5 R50 Y1488 R1492 L1557 | Y5-Y1490 PolarHBondContact OH-OH 3.39Å; R50-Y1490 PolarHBondContact NH1-OH 3.13Å; Y1488-Y1490 HydrophobicContact CE1-CD2 4.12Å; Y1488-Y1490 HydrophobicContact CE1-CG 4.44Å; Y1488-Y1490 AromaticContact CE2-CD2 3.98Å; Y1488-Y1490 HydrophobicContact CE2-CD2 3.98Å; Y1488-Y1490 AromaticContact CZ-CD2 3.73Å; Y1488-Y1490 PolarHBondContact O-N 3.12Å; Y1490-R1492 PolarHBondContact O-N 3.34Å; Y1490-L1557 HydrophobicContact CD2-CD1 3.85Å; Y1490-L1557 HydrophobicContact CE2-CD1 3.77Å; Y1490-L1557 HydrophobicContact CE2-CD2 4.09Å |
| 1491 | N | 74.5 | Confident | 83 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -75 | 117.5 | 173 | -178.3 | 12.7 | 0 | 0 | 0 | 109 | I516 L1456 C1484 Y1488 C1493 T1494 | I516-N1491 VanDerWaalsContact CD1-O 3.26Å; I516-N1491 WeakPolarHBondContact CD1-O 3.42Å; L1456-N1491 HydrophobicContact CD1-CB 4.04Å; C1484-N1491 WeakPolarHBondContact SG-CB 3.34Å; C1484-N1491 PolarHBondContact SG-ND2 2.89Å; Y1488-N1491 HydrophobicContact CD1-CB 3.97Å; Y1488-N1491 HydrophobicContact CE1-CB 4.48Å; Y1488-N1491 PolarHBondContact O-N 3.13Å; N1491-C1493 PolarHBondContact OD1-N 3.49Å; N1491-C1493 VanDerWaalsContact OD1-N 3.13Å; N1491-C1493 PolarHBondContact OD1-SG 3.06Å; N1491-T1494 PolarHBondContact ND2-OG1 2.8Å; N1491-T1494 PolarHBondContact OD1-N 3.32Å | ||
| 1492 | R | 69.6 | Low | 83 | Confident | 27 Ų | 27 | 13.8 Ų | 13.8 | 10% | 0.102 | 7% | 0.07 | C | C | . | . | trans | -129.4 | -0.5 | 173.4 | -60.5 | -60.8 | -163 | 159.8 | 9.1 | 112.6 | E493 L513 L514 Y1446 S1489 Y1490 | E493-R1492 IonicContact OE2-CZ 3.59Å; E493-R1492 IonicContact OE2-NE 3.71Å; E493-R1492 IonicContact OE2-NH2 3.77Å; E493-R1492 PolarHBondContact OE2-NH2 2.85Å; L513-R1492 HydrophobicContact CD2-CG 4.18Å; L514-R1492 PolarHBondContact O-NH1 2.6Å; Y1446-R1492 HydrophobicContact CD2-CB 3.85Å; Y1446-R1492 HydrophobicContact CE1-CB 4.23Å; Y1446-R1492 HydrophobicContact CE2-CB 3.51Å; Y1446-R1492 HydrophobicContact CE2-CG 4.19Å; Y1446-R1492 HydrophobicContact CG-CB 4.35Å; S1489-R1492 PolarHBondContact O-NE 2.79Å; Y1490-R1492 PolarHBondContact O-N 3.34Å | ||
| 1493 | C | 75.3 | Confident | 83 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -94.5 | -18.8 | -178.5 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | L1442 I1443 A1449 E1452 N1491 | L1442-C1493 CarbonylContact C-O 3.57Å; L1442-C1493 WeakPolarHBondContact CA-O 3.37Å; L1442-C1493 HydrophobicContact CD1-CB 4.24Å; I1443-C1493 PolarHBondContact N-O 3.18Å; A1449-C1493 HydrophobicContact CB-CB 3.92Å; E1452-C1493 HydrophobicContact CB-CB 4.45Å; E1452-C1493 HydrophobicContact CG-CB 4.47Å; N1491-C1493 PolarHBondContact OD1-N 3.49Å; N1491-C1493 VanDerWaalsContact OD1-N 3.13Å; N1491-C1493 PolarHBondContact OD1-SG 3.06Å |
| 1494 | T | 81.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -132.4 | 175.1 | 171.2 | 66.8 | 0 | 0 | 0 | 0 | 110.9 | I516 P1441 I1443 L1453 A1477 N1491 | I516-T1494 VanDerWaalsContact CD1-O 3.23Å; I516-T1494 WeakPolarHBondContact CD1-O 3.48Å; P1441-T1494 WeakPolarHBondContact O-CA 3.34Å; I1443-T1494 WeakPolarHBondContact CD1-O 3.35Å; L1453-T1494 HydrophobicContact CD1-CG2 4.49Å; A1477-T1494 HydrophobicContact CB-CG2 3.78Å; N1491-T1494 PolarHBondContact ND2-OG1 2.8Å; N1491-T1494 PolarHBondContact OD1-N 3.32Å |
| 1495 | D | 80.4 | Confident | 83.4 | Confident | 12 Ų | 12 | 15.9 Ų | 15.9 | 6% | 0.064 | 8% | 0.082 | C | C | . | . | trans | -78.9 | -175.7 | 173 | -156.6 | -17.4 | 0 | 0 | 0 | 111.3 | K521 Q1481 | K521-D1495 VanDerWaalsContact NZ-CG 3.31Å; K521-D1495 IonicContact NZ-OD1 3.48Å; K521-D1495 IonicContact NZ-OD2 3.86Å; K521-D1495 PolarHBondContact NZ-OD2 3.39Å; Q1481-D1495 HydrophobicContact CG-CB 4.4Å; Q1481-D1495 WeakPolarHBondContact CG-O 3.47Å | ||
| 1496 | C | 85 | Confident | 83.8 | Confident | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.02 | 8% | 0.082 | C | C | . | . | trans | -78.5 | 165 | 166.5 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | I516 Q1481 T1486 Q1498 | I516-C1496 HydrophobicContact CG2-CB 3.7Å; Q1481-C1496 VanDerWaalsContact CG-O 3.31Å; Q1481-C1496 WeakPolarHBondContact CG-O 3.43Å; Q1481-C1496 PolarHBondContact NE2-O 3.11Å; T1486-C1496 HydrophobicContact CG2-CB 3.57Å; C1496-Q1498 VanDerWaalsContact C-N 3.25Å; C1496-Q1498 PolarHBondContact O-N 2.87Å | ||
| 1497 | Y | 91.3 | Very high | 84.5 | Confident | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.016 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.8 | 178 | 78.5 | -79.1 | 0 | 0 | 0 | 114.7 | Q1481 A1482 C1484 H1485 R1499 L1500 E1501 D1607 I1608 | Q1481-Y1497 WeakPolarHBondContact O-CA 3.46Å; Q1481-Y1497 WeakPolarHBondContact O-CB 3.43Å; Q1481-Y1497 PolarHBondContact O-N 2.9Å; A1482-Y1497 WeakPolarHBondContact O-CB 3.32Å; C1484-Y1497 WeakPolarHBondContact O-CD1 3.46Å; C1484-Y1497 PolarHBondContact O-N 3.14Å; H1485-Y1497 AromaticContact CD2-CE1 3.52Å; Y1497-R1499 VanDerWaalsContact C-N 3.31Å; Y1497-R1499 PolarHBondContact O-N 3.28Å; Y1497-R1499 VanDerWaalsContact O-N 3.14Å; Y1497-L1500 CarbonylContact O-C 3.55Å; Y1497-L1500 WeakPolarHBondContact O-CA 3.46Å; Y1497-L1500 WeakPolarHBondContact O-CB 3.4Å; Y1497-L1500 PolarHBondContact O-N 3.15Å; Y1497-E1501 HydrophobicContact CD2-CB 4.07Å; Y1497-E1501 HydrophobicContact CE2-CB 4.23Å; Y1497-E1501 HydrophobicContact CE2-CG 4.44Å; Y1497-E1501 WeakPolarHBondContact CE2-OE2 3.41Å; Y1497-E1501 PolarHBondContact O-N 3.32Å; Y1497-D1607 HydrophobicContact CD2-CB 4.42Å; Y1497-D1607 HydrophobicContact CE2-CB 3.55Å; Y1497-I1608 HydrophobicContact CD2-CG2 4.21Å; Y1497-I1608 HydrophobicContact CG-CG2 4.36Å |
| 1498 | Q | 89.9 | Confident | 85.6 | Confident | 16 Ų | 16 | 14.1 Ų | 14.1 | 8% | 0.075 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.8 | -28.8 | -164.3 | -57 | -166.4 | -91 | 0 | 0 | 115.3 | N517 H1283 E1284 T1486 C1496 L1500 E1501 F1502 | N517-Q1498 PolarHBondContact ND2-OE1 3.39Å; N517-Q1498 VanDerWaalsContact ND2-OE1 3.14Å; H1283-Q1498 PolarHBondContact NE2-OE1 3.36Å; E1284-Q1498 HydrophobicContact CB-CB 4.14Å; T1486-Q1498 HydrophobicContact CG2-CG 4.31Å; T1486-Q1498 VanDerWaalsContact CG2-OE1 3.25Å; C1496-Q1498 VanDerWaalsContact C-N 3.25Å; C1496-Q1498 PolarHBondContact O-N 2.87Å; Q1498-L1500 VanDerWaalsContact C-N 3.32Å; Q1498-E1501 WeakPolarHBondContact CA-OE2 3.36Å; Q1498-E1501 WeakPolarHBondContact O-CB 3.43Å; Q1498-F1502 PolarHBondContact O-N 3.25Å |
| 1499 | R | 90.8 | Very high | 86.5 | Confident | 19 Ų | 19 | 13.7 Ų | 13.7 | 7% | 0.072 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -73.2 | -28 | 173.4 | -61.9 | -173 | 74.2 | -101.9 | -4.7 | 111.9 | F1276 Y1279 P1280 M1282 Y1497 L1503 | F1276-R1499 HydrophobicContact CD2-CB 4.49Å; F1276-R1499 WeakPolarHBondContact CD2-O 3.23Å; F1276-R1499 HydrophobicContact CE2-CB 3.93Å; F1276-R1499 WeakPolarHBondContact CE2-O 3.42Å; F1276-R1499 PolarHBondContact O-NH2 3.27Å; Y1279-R1499 PolarHBondContact O-NH2 3.04Å; P1280-R1499 PolarHBondContact O-NH1 2.68Å; P1280-R1499 PolarHBondContact O-NH2 3.04Å; M1282-R1499 WeakPolarHBondContact O-CD 3.3Å; M1282-R1499 PolarHBondContact O-NE 2.92Å; Y1497-R1499 VanDerWaalsContact C-N 3.31Å; Y1497-R1499 PolarHBondContact O-N 3.28Å; Y1497-R1499 VanDerWaalsContact O-N 3.14Å; R1499-L1503 PolarHBondContact O-N 3.47Å |
| 1500 | L | 93.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -83.5 | -32.1 | 175.8 | -59 | 178.8 | 0 | 0 | 0 | 112 | F1276 Q1481 A1482 Y1497 Q1498 L1503 G1504 A1615 L1618 | F1276-L1500 HydrophobicContact CE2-CD2 4.32Å; F1276-L1500 HydrophobicContact CZ-CD2 4.06Å; Q1481-L1500 HydrophobicContact CB-CD1 3.95Å; Q1481-L1500 HydrophobicContact CG-CD1 3.64Å; Q1481-L1500 HydrophobicContact CG-CG 4.27Å; A1482-L1500 HydrophobicContact CB-CD1 4.06Å; Y1497-L1500 CarbonylContact O-C 3.55Å; Y1497-L1500 WeakPolarHBondContact O-CA 3.46Å; Y1497-L1500 WeakPolarHBondContact O-CB 3.4Å; Y1497-L1500 PolarHBondContact O-N 3.15Å; Q1498-L1500 VanDerWaalsContact C-N 3.32Å; L1500-L1503 PolarHBondContact O-N 3.39Å; L1500-G1504 PolarHBondContact O-N 2.87Å; L1500-A1615 HydrophobicContact CD1-CB 4.23Å; L1500-L1618 HydrophobicContact CD2-CD1 3.5Å |
| 1501 | E | 94.5 | Very high | 88.9 | Confident | 33 Ų | 33 | 8.8 Ų | 8.8 | 15% | 0.154 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -50.9 | -59.9 | 165 | 168.6 | -161.7 | 160.7 | 0 | 0 | 109.8 | Y1497 Q1498 L1503 G1504 D1505 D1607 | Y1497-E1501 HydrophobicContact CD2-CB 4.07Å; Y1497-E1501 HydrophobicContact CE2-CB 4.23Å; Y1497-E1501 HydrophobicContact CE2-CG 4.44Å; Y1497-E1501 WeakPolarHBondContact CE2-OE2 3.41Å; Y1497-E1501 PolarHBondContact O-N 3.32Å; Q1498-E1501 WeakPolarHBondContact CA-OE2 3.36Å; Q1498-E1501 WeakPolarHBondContact O-CB 3.43Å; E1501-L1503 PolarHBondContact O-N 2.97Å; E1501-L1503 VanDerWaalsContact O-N 3.11Å; E1501-G1504 PolarHBondContact O-N 3.16Å; E1501-D1505 WeakPolarHBondContact O-CB 3.27Å; E1501-D1505 PolarHBondContact O-N 2.66Å; E1501-D1607 HydrophobicContact CG-CB 4.05Å |
| 1502 | F | 93.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 8.8 Ų | 8.8 | 2% | 0.022 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -51.9 | -36.3 | 177.2 | 171.9 | -102.2 | 0 | 0 | 0 | 114.1 | T1272 E1284 L1287 R1291 Q1498 | T1272-F1502 HydrophobicContact CG2-CD1 3.8Å; T1272-F1502 HydrophobicContact CG2-CE1 3.48Å; T1272-F1502 VanDerWaalsContact CG2-CE1 3.48Å; T1272-F1502 HydrophobicContact CG2-CE2 4.42Å; T1272-F1502 HydrophobicContact CG2-CG 4.4Å; T1272-F1502 HydrophobicContact CG2-CZ 3.82Å; T1272-F1502 WeakPolarHBondContact CG2-O 3.4Å; E1284-F1502 HydrophobicContact CG-CB 4.2Å; L1287-F1502 HydrophobicContact CB-CD1 4.11Å; L1287-F1502 HydrophobicContact CB-CD2 4.35Å; L1287-F1502 HydrophobicContact CB-CE1 3.68Å; L1287-F1502 HydrophobicContact CB-CE2 3.95Å; L1287-F1502 HydrophobicContact CB-CG 4.43Å; L1287-F1502 HydrophobicContact CB-CZ 3.6Å; L1287-F1502 HydrophobicContact CD1-CD1 4.05Å; L1287-F1502 HydrophobicContact CD1-CE1 4.15Å; L1287-F1502 HydrophobicContact CG-CE1 4.35Å; R1291-F1502 HydrophobicContact CB-CE2 4.19Å; R1291-F1502 HydrophobicContact CB-CZ 4.25Å; Q1498-F1502 PolarHBondContact O-N 3.25Å |
| 1503 | L | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -77.8 | -40.7 | 177.2 | -178.1 | 60.8 | 0 | 0 | 0 | 112.3 | T1272 V1273 F1276 R1499 L1500 E1501 V1507 Y1617 L1618 | T1272-L1503 HydrophobicContact CG2-CD1 4.22Å; V1273-L1503 HydrophobicContact CG2-CD1 3.9Å; F1276-L1503 HydrophobicContact CD1-CD2 4.1Å; F1276-L1503 HydrophobicContact CD2-CB 4.24Å; F1276-L1503 HydrophobicContact CD2-CD2 4.35Å; F1276-L1503 HydrophobicContact CE1-CD2 3.94Å; F1276-L1503 HydrophobicContact CE2-CB 4.42Å; F1276-L1503 HydrophobicContact CE2-CD2 4.19Å; F1276-L1503 HydrophobicContact CG-CD2 4.31Å; F1276-L1503 HydrophobicContact CZ-CD2 4Å; R1499-L1503 PolarHBondContact O-N 3.47Å; L1500-L1503 PolarHBondContact O-N 3.39Å; E1501-L1503 PolarHBondContact O-N 2.97Å; E1501-L1503 VanDerWaalsContact O-N 3.11Å; L1503-V1507 WeakPolarHBondContact O-CB 3.5Å; L1503-V1507 VanDerWaalsContact O-CG2 3.28Å; L1503-V1507 WeakPolarHBondContact O-CG2 3.26Å; L1503-V1507 PolarHBondContact O-N 3.46Å; L1503-Y1617 HydrophobicContact CD1-CD1 4.41Å; L1503-Y1617 HydrophobicContact CD1-CE1 4.32Å; L1503-Y1617 HydrophobicContact CD2-CD1 4.03Å; L1503-Y1617 HydrophobicContact CG-CD1 4.34Å; L1503-L1618 HydrophobicContact CD2-CD1 3.89Å; L1503-L1618 HydrophobicContact CD2-CD2 3.9Å; L1503-L1618 HydrophobicContact CD2-CG 3.8Å |
| 1504 | G | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -70.3 | -40 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1500 E1501 A1506 V1507 L1508 E1610 | L1500-G1504 PolarHBondContact O-N 2.87Å; E1501-G1504 PolarHBondContact O-N 3.16Å; G1504-A1506 PolarHBondContact O-N 3.24Å; G1504-V1507 PolarHBondContact O-N 3.38Å; G1504-L1508 WeakPolarHBondContact O-CB 3.33Å; G1504-L1508 WeakPolarHBondContact O-CG 3.33Å; G1504-L1508 PolarHBondContact O-N 3.47Å; G1504-E1610 WeakPolarHBondContact CA-O 3.49Å |
| 1505 | D | 94.9 | Very high | 91.7 | Very high | 44 Ų | 44 | 9.4 Ų | 9.4 | 24% | 0.235 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -46.6 | -60.3 | 170.6 | 157 | 59.9 | 0 | 0 | 0 | 111.1 | R1291 E1501 V1507 L1508 D1509 | R1291-D1505 IonicContact CZ-OD2 2.69Å; R1291-D1505 IonicContact NH1-OD2 2.6Å; R1291-D1505 PolarHBondContact NH1-OD2 3.37Å; R1291-D1505 IonicContact NH2-OD2 3Å; R1291-D1505 PolarHBondContact NH2-OD2 3.23Å; E1501-D1505 WeakPolarHBondContact O-CB 3.27Å; E1501-D1505 PolarHBondContact O-N 2.66Å; D1505-V1507 PolarHBondContact O-N 3.05Å; D1505-L1508 PolarHBondContact O-N 2.84Å; D1505-D1509 VanDerWaalsContact O-CB 3.3Å; D1505-D1509 WeakPolarHBondContact O-CB 3.47Å; D1505-D1509 PolarHBondContact O-N 2.84Å |
| 1506 | A | 94.1 | Very high | 92 | Very high | 2 Ų | 2 | 9 Ų | 9 | 2% | 0.017 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -70.6 | -28.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1272 G1504 Y1510 | T1272-A1506 HydrophobicContact CG2-CB 3.89Å; T1272-A1506 WeakPolarHBondContact OG1-CB 3.33Å; G1504-A1506 PolarHBondContact O-N 3.24Å; A1506-Y1510 WeakPolarHBondContact O-CB 3.38Å; A1506-Y1510 PolarHBondContact O-N 3.14Å |
| 1507 | V | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -70.5 | -45 | 174.6 | 165.3 | 0 | 0 | 0 | 0 | 110.9 | Y1269 L1503 G1504 D1505 L1511 Y1617 L1624 V1627 | Y1269-V1507 HydrophobicContact CD2-CG2 3.88Å; Y1269-V1507 HydrophobicContact CE2-CG2 3.94Å; L1503-V1507 WeakPolarHBondContact O-CB 3.5Å; L1503-V1507 VanDerWaalsContact O-CG2 3.28Å; L1503-V1507 WeakPolarHBondContact O-CG2 3.26Å; L1503-V1507 PolarHBondContact O-N 3.46Å; G1504-V1507 PolarHBondContact O-N 3.38Å; D1505-V1507 PolarHBondContact O-N 3.05Å; V1507-L1511 HydrophobicContact CG1-CD1 3.74Å; V1507-L1511 HydrophobicContact CG1-CG 4.41Å; V1507-L1511 WeakPolarHBondContact O-CB 3.34Å; V1507-L1511 WeakPolarHBondContact O-CG 3.4Å; V1507-L1511 PolarHBondContact O-N 2.69Å; V1507-Y1617 HydrophobicContact CG1-CD2 4.45Å; V1507-Y1617 HydrophobicContact CG2-CD2 4.14Å; V1507-Y1617 HydrophobicContact CG2-CE2 4.34Å; V1507-Y1617 HydrophobicContact CG2-CG 4.21Å; V1507-L1624 HydrophobicContact CG1-CD2 4.01Å; V1507-L1624 HydrophobicContact CG2-CD2 4.46Å; V1507-V1627 HydrophobicContact CG1-CG1 4.12Å; V1507-V1627 HydrophobicContact CG1-CG2 4.38Å |
| 1508 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.5 | -43.5 | 178.5 | -69.2 | 178.6 | 0 | 0 | 0 | 111.3 | G1504 D1505 Y1510 L1511 I1512 F1541 F1609 E1610 A1613 V1627 Y1631 | G1504-L1508 WeakPolarHBondContact O-CB 3.33Å; G1504-L1508 WeakPolarHBondContact O-CG 3.33Å; G1504-L1508 PolarHBondContact O-N 3.47Å; D1505-L1508 PolarHBondContact O-N 2.84Å; L1508-Y1510 PolarHBondContact O-N 3.02Å; L1508-L1511 PolarHBondContact O-N 2.86Å; L1508-I1512 HydrophobicContact CB-CD1 4.24Å; L1508-I1512 VanDerWaalsContact O-CB 3.29Å; L1508-I1512 WeakPolarHBondContact O-CB 3.47Å; L1508-I1512 WeakPolarHBondContact O-CD1 3.15Å; L1508-I1512 WeakPolarHBondContact O-CG1 3.39Å; L1508-I1512 PolarHBondContact O-N 3.47Å; L1508-F1541 HydrophobicContact CD1-CZ 4.41Å; L1508-F1609 HydrophobicContact CD1-CD1 4.26Å; L1508-F1609 HydrophobicContact CD1-CE1 4.39Å; L1508-E1610 HydrophobicContact CD1-CG 4.2Å; L1508-A1613 HydrophobicContact CD1-CB 3.92Å; L1508-A1613 HydrophobicContact CD2-CB 3.8Å; L1508-A1613 HydrophobicContact CG-CB 3.79Å; L1508-V1627 HydrophobicContact CD2-CG1 4.49Å; L1508-Y1631 HydrophobicContact CD1-CD1 4.2Å; L1508-Y1631 HydrophobicContact CD1-CE1 4.03Å; L1508-Y1631 HydrophobicContact CD2-CD1 3.53Å; L1508-Y1631 HydrophobicContact CD2-CE1 4.06Å; L1508-Y1631 HydrophobicContact CD2-CG 4Å |
| 1509 | D | 93.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 15.7 Ų | 15.7 | 6% | 0.059 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -55.2 | -48.6 | 175 | -179.5 | 44.9 | 0 | 0 | 0 | 111.6 | D1505 T1513 R1532 V1536 | D1505-D1509 VanDerWaalsContact O-CB 3.3Å; D1505-D1509 WeakPolarHBondContact O-CB 3.47Å; D1505-D1509 PolarHBondContact O-N 2.84Å; D1509-T1513 WeakPolarHBondContact O-CB 3.49Å; D1509-T1513 PolarHBondContact O-N 2.79Å; D1509-T1513 PolarHBondContact O-OG1 2.97Å; D1509-R1532 IonicContact OD1-CZ 2.76Å; D1509-R1532 IonicContact OD1-NE 2.73Å; D1509-R1532 PolarHBondContact OD1-NE 3.1Å; D1509-R1532 IonicContact OD1-NH2 2.79Å; D1509-R1532 PolarHBondContact OD1-NH2 3.44Å; D1509-R1532 IonicContact OD2-CZ 3.96Å; D1509-R1532 IonicContact OD2-NE 2.67Å; D1509-R1532 IonicContact OD2-NH2 3.2Å; D1509-R1532 PolarHBondContact OD2-NH2 2.83Å; D1509-V1536 HydrophobicContact CB-CG1 4.07Å |
| 1510 | Y | 93.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 176.1 | 176.9 | -115.4 | 0 | 0 | 0 | 113.2 | L1262 F1266 Y1269 L1408 A1506 L1508 T1513 R1514 L1624 | L1262-Y1510 HydrophobicContact CD1-CE2 3.98Å; F1266-Y1510 HydrophobicContact CB-CD2 3.86Å; F1266-Y1510 HydrophobicContact CB-CE2 3.74Å; F1266-Y1510 HydrophobicContact CD2-CD2 4.23Å; F1266-Y1510 HydrophobicContact CD2-CE1 4.22Å; F1266-Y1510 AromaticContact CD2-CE2 3.74Å; F1266-Y1510 HydrophobicContact CD2-CE2 3.74Å; F1266-Y1510 AromaticContact CD2-CZ 3.75Å; F1266-Y1510 HydrophobicContact CG-CE2 4.17Å; Y1269-Y1510 HydrophobicContact CD1-CD1 4.42Å; Y1269-Y1510 HydrophobicContact CG-CD1 4.5Å; L1408-Y1510 HydrophobicContact CD2-CE2 3.98Å; A1506-Y1510 WeakPolarHBondContact O-CB 3.38Å; A1506-Y1510 PolarHBondContact O-N 3.14Å; L1508-Y1510 PolarHBondContact O-N 3.02Å; Y1510-T1513 PolarHBondContact O-N 3.4Å; Y1510-R1514 HydrophobicContact CE2-CB 4.37Å; Y1510-R1514 VanDerWaalsContact O-CB 3.28Å; Y1510-R1514 WeakPolarHBondContact O-CB 3.34Å; Y1510-R1514 PolarHBondContact O-N 3.5Å; Y1510-L1624 HydrophobicContact CD1-CD1 4.07Å; Y1510-L1624 HydrophobicContact CE1-CD1 3.79Å |
| 1511 | L | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | -179.1 | -74.9 | 173.7 | 0 | 0 | 0 | 112.5 | F1223 V1507 L1508 H1515 L1624 V1627 W1628 | F1223-L1511 HydrophobicContact CD1-CD2 3.42Å; F1223-L1511 VanDerWaalsContact CD1-CD2 3.42Å; F1223-L1511 HydrophobicContact CD2-CD2 4.27Å; F1223-L1511 HydrophobicContact CE1-CD2 3.36Å; F1223-L1511 HydrophobicContact CE2-CD2 4.23Å; F1223-L1511 HydrophobicContact CG-CD2 3.89Å; F1223-L1511 HydrophobicContact CZ-CD2 3.79Å; V1507-L1511 HydrophobicContact CG1-CD1 3.74Å; V1507-L1511 HydrophobicContact CG1-CG 4.41Å; V1507-L1511 WeakPolarHBondContact O-CB 3.34Å; V1507-L1511 WeakPolarHBondContact O-CG 3.4Å; V1507-L1511 PolarHBondContact O-N 2.69Å; L1508-L1511 PolarHBondContact O-N 2.86Å; L1511-H1515 WeakPolarHBondContact O-CB 3.45Å; L1511-H1515 PolarHBondContact O-N 3.42Å; L1511-L1624 HydrophobicContact CD2-CB 4.13Å; L1511-L1624 HydrophobicContact CD2-CD2 4.25Å; L1511-L1624 HydrophobicContact CG-CD2 4.34Å; L1511-V1627 HydrophobicContact CD1-CB 3.91Å; L1511-V1627 HydrophobicContact CD1-CG1 3.85Å; L1511-W1628 HydrophobicContact CB-CE3 3.63Å; L1511-W1628 HydrophobicContact CB-CZ3 3.9Å; L1511-W1628 HydrophobicContact CD1-CB 4.38Å; L1511-W1628 HydrophobicContact CD1-CE3 4.27Å; L1511-W1628 HydrophobicContact CD2-CB 4.21Å; L1511-W1628 HydrophobicContact CG-CE3 4.38Å |
| 1512 | I | 91.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 177.5 | -65.5 | 162.1 | 0 | 0 | 0 | 109.6 | L1508 R1514 H1515 L1516 L1535 V1536 F1541 W1628 M1635 | L1508-I1512 HydrophobicContact CB-CD1 4.24Å; L1508-I1512 VanDerWaalsContact O-CB 3.29Å; L1508-I1512 WeakPolarHBondContact O-CB 3.47Å; L1508-I1512 WeakPolarHBondContact O-CD1 3.15Å; L1508-I1512 WeakPolarHBondContact O-CG1 3.39Å; L1508-I1512 PolarHBondContact O-N 3.47Å; I1512-R1514 PolarHBondContact O-N 2.93Å; I1512-H1515 PolarHBondContact O-N 3.36Å; I1512-L1516 HydrophobicContact CG2-CD1 3.88Å; I1512-L1516 HydrophobicContact CG2-CG 4.36Å; I1512-L1516 WeakPolarHBondContact O-CG 3.36Å; I1512-L1516 PolarHBondContact O-N 3.48Å; I1512-L1535 HydrophobicContact CG2-CB 4.13Å; I1512-L1535 HydrophobicContact CG2-CD1 4.49Å; I1512-V1536 HydrophobicContact CB-CG2 4.18Å; I1512-V1536 HydrophobicContact CD1-CG2 3.97Å; I1512-V1536 HydrophobicContact CG2-CG2 4.02Å; I1512-F1541 HydrophobicContact CD1-CE1 4.24Å; I1512-F1541 HydrophobicContact CD1-CZ 4.24Å; I1512-W1628 HydrophobicContact CG1-CH2 4.33Å; I1512-W1628 HydrophobicContact CG1-CZ3 3.96Å; I1512-M1635 HydrophobicContact CD1-CE 3.72Å; I1512-M1635 HydrophobicContact CD1-SD 4.06Å; I1512-M1635 HydrophobicContact CG1-CE 4.35Å; I1512-M1635 HydrophobicContact CG1-SD 4.46Å |
| 1513 | T | 91.4 | Very high | 86.6 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 179.8 | -60.7 | 0 | 0 | 0 | 0 | 112 | I1261 S1265 D1509 Y1510 H1515 L1516 Y1517 R1532 | I1261-T1513 HydrophobicContact CG2-CG2 3.5Å; S1265-T1513 WeakPolarHBondContact OG-CG2 3.35Å; D1509-T1513 WeakPolarHBondContact O-CB 3.49Å; D1509-T1513 PolarHBondContact O-N 2.79Å; D1509-T1513 PolarHBondContact O-OG1 2.97Å; Y1510-T1513 PolarHBondContact O-N 3.4Å; T1513-H1515 VanDerWaalsContact C-N 3.35Å; T1513-H1515 PolarHBondContact O-N 3.5Å; T1513-L1516 PolarHBondContact O-N 3.46Å; T1513-Y1517 WeakPolarHBondContact O-CB 3.3Å; T1513-Y1517 PolarHBondContact O-N 3.49Å; T1513-R1532 VanDerWaalsContact OG1-CD 3.27Å; T1513-R1532 WeakPolarHBondContact OG1-CD 3.16Å; T1513-R1532 PolarHBondContact OG1-NE 2.52Å |
| 1514 | R | 89.5 | Confident | 85.6 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.2 | -173.9 | 70.5 | -174.1 | -132.1 | 2.2 | 111.6 | F1223 L1262 Y1510 I1512 Y1517 E1518 | F1223-R1514 HydrophobicContact CD1-CG 4.42Å; F1223-R1514 HydrophobicContact CE1-CB 4.24Å; F1223-R1514 HydrophobicContact CE1-CG 4.12Å; L1262-R1514 HydrophobicContact CD1-CB 4.36Å; Y1510-R1514 HydrophobicContact CE2-CB 4.37Å; Y1510-R1514 VanDerWaalsContact O-CB 3.28Å; Y1510-R1514 WeakPolarHBondContact O-CB 3.34Å; Y1510-R1514 PolarHBondContact O-N 3.5Å; I1512-R1514 PolarHBondContact O-N 2.93Å; R1514-Y1517 PolarHBondContact O-N 2.85Å; R1514-E1518 IonicContact CZ-OE1 3.38Å; R1514-E1518 VanDerWaalsContact NE-CD 3.34Å; R1514-E1518 IonicContact NE-OE1 3.09Å; R1514-E1518 PolarHBondContact NE-OE1 2.94Å; R1514-E1518 IonicContact NE-OE2 3.46Å; R1514-E1518 IonicContact NH2-OE1 2.74Å; R1514-E1518 PolarHBondContact NH2-OE1 3.22Å; R1514-E1518 PolarHBondContact O-N 3.26Å |
| 1515 | H | 88.4 | Confident | 84.7 | Confident | 24 Ų | 24 | 28.9 Ų | 28.9 | 11% | 0.111 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 177.1 | 177.4 | 60.1 | 0 | 0 | 0 | 113.3 | I1221 L1511 I1512 T1513 Y1517 E1518 D1519 W1628 Y1632 | I1221-H1515 HydrophobicContact CD1-CB 3.82Å; I1221-H1515 WeakPolarHBondContact CD1-ND1 3.32Å; L1511-H1515 WeakPolarHBondContact O-CB 3.45Å; L1511-H1515 PolarHBondContact O-N 3.42Å; I1512-H1515 PolarHBondContact O-N 3.36Å; T1513-H1515 VanDerWaalsContact C-N 3.35Å; T1513-H1515 PolarHBondContact O-N 3.5Å; H1515-Y1517 VanDerWaalsContact C-N 3.34Å; H1515-E1518 PolarHBondContact O-N 2.93Å; H1515-D1519 PolarHBondContact O-N 3.44Å; H1515-D1519 VanDerWaalsContact O-N 3.16Å; H1515-W1628 HydrophobicContact CB-CH2 3.75Å; H1515-W1628 HydrophobicContact CB-CZ2 3.47Å; H1515-W1628 VanDerWaalsContact CB-CZ2 3.47Å; H1515-W1628 AromaticContact CD2-CZ2 3.66Å; H1515-W1628 AromaticContact CG-CH2 3.98Å; H1515-W1628 AromaticContact CG-CZ2 3.41Å; H1515-W1628 VanDerWaalsContact CG-CZ2 3.41Å; H1515-W1628 AromaticContact ND1-CZ2 3.98Å; H1515-Y1632 AromaticContact CE1-CE2 3.83Å; H1515-Y1632 AromaticContact NE2-CE2 3.54Å |
| 1516 | L | 87.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | 176.2 | -68.1 | 170.8 | 0 | 0 | 0 | 111.8 | I1512 T1513 D1519 L1528 L1531 L1535 | I1512-L1516 HydrophobicContact CG2-CD1 3.88Å; I1512-L1516 HydrophobicContact CG2-CG 4.36Å; I1512-L1516 WeakPolarHBondContact O-CG 3.36Å; I1512-L1516 PolarHBondContact O-N 3.48Å; T1513-L1516 PolarHBondContact O-N 3.46Å; L1516-D1519 WeakPolarHBondContact O-CB 3.38Å; L1516-D1519 PolarHBondContact O-N 2.82Å; L1516-L1528 HydrophobicContact CB-CD2 3.76Å; L1516-L1528 WeakPolarHBondContact O-CD2 3.44Å; L1516-L1531 HydrophobicContact CD1-CB 3.98Å; L1516-L1531 HydrophobicContact CD2-CB 4.34Å; L1516-L1531 HydrophobicContact CD2-CD1 4.33Å; L1516-L1535 HydrophobicContact CD1-CD1 4.14Å; L1516-L1535 HydrophobicContact CD2-CD1 4Å |
| 1517 | Y | 85.4 | Confident | 82.9 | Confident | 52 Ų | 52 | 31.9 Ų | 31.9 | 20% | 0.204 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.6 | -38.5 | 176.9 | -170.9 | -85.7 | 0 | 0 | 0 | 112.7 | G1258 L1259 L1262 L1409 T1513 R1514 H1515 D1519 L1528 | G1258-Y1517 VanDerWaalsContact O-CE2 3.3Å; G1258-Y1517 WeakPolarHBondContact O-CE2 3.48Å; L1259-Y1517 WeakPolarHBondContact CD2-OH 3.48Å; L1262-Y1517 HydrophobicContact CB-CD2 4.42Å; L1262-Y1517 HydrophobicContact CD2-CD1 4.16Å; L1262-Y1517 HydrophobicContact CD2-CE1 4.31Å; L1262-Y1517 HydrophobicContact CD2-CG 4.35Å; L1409-Y1517 HydrophobicContact CD1-CD1 4.49Å; L1409-Y1517 HydrophobicContact CD1-CE1 3.52Å; L1409-Y1517 WeakPolarHBondContact CD1-OH 3.42Å; L1409-Y1517 HydrophobicContact CD2-CD1 4.16Å; L1409-Y1517 HydrophobicContact CD2-CE1 3.81Å; L1409-Y1517 HydrophobicContact CG-CE1 4.31Å; T1513-Y1517 WeakPolarHBondContact O-CB 3.3Å; T1513-Y1517 PolarHBondContact O-N 3.49Å; R1514-Y1517 PolarHBondContact O-N 2.85Å; H1515-Y1517 VanDerWaalsContact C-N 3.34Å; Y1517-D1519 VanDerWaalsContact C-N 3.32Å; Y1517-L1528 HydrophobicContact CD2-CD1 4.24Å |
| 1518 | E | 83.2 | Confident | 82.3 | Confident | 73 Ų | 73 | 32.2 Ų | 32.2 | 34% | 0.341 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 4.5 | 178.4 | -67.7 | -177.6 | 163.2 | 0 | 0 | 114.1 | I1221 R1514 H1515 K1520 | I1221-E1518 WeakPolarHBondContact CG1-OE2 3.31Å; I1221-E1518 WeakPolarHBondContact CG2-OE2 3.42Å; R1514-E1518 IonicContact CZ-OE1 3.38Å; R1514-E1518 VanDerWaalsContact NE-CD 3.34Å; R1514-E1518 IonicContact NE-OE1 3.09Å; R1514-E1518 PolarHBondContact NE-OE1 2.94Å; R1514-E1518 IonicContact NE-OE2 3.46Å; R1514-E1518 IonicContact NH2-OE1 2.74Å; R1514-E1518 PolarHBondContact NH2-OE1 3.22Å; R1514-E1518 PolarHBondContact O-N 3.26Å; H1515-E1518 PolarHBondContact O-N 2.93Å; E1518-K1520 PolarHBondContact O-N 3.02Å |
| 1519 | D | 80.1 | Confident | 81.7 | Confident | 38 Ų | 38 | 35.3 Ų | 35.3 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | trans | -63.7 | 133.9 | 177.3 | -170.8 | -7.1 | 0 | 0 | 0 | 110.9 | H1515 L1516 Y1517 Q1521 A1522 H1523 | H1515-D1519 PolarHBondContact O-N 3.44Å; H1515-D1519 VanDerWaalsContact O-N 3.16Å; L1516-D1519 WeakPolarHBondContact O-CB 3.38Å; L1516-D1519 PolarHBondContact O-N 2.82Å; Y1517-D1519 VanDerWaalsContact C-N 3.32Å; D1519-Q1521 PolarHBondContact O-N 3.01Å; D1519-Q1521 VanDerWaalsContact O-N 3.14Å; D1519-Q1521 PolarHBondContact OD1-N 3.32Å; D1519-A1522 WeakPolarHBondContact O-CA 3.36Å; D1519-A1522 PolarHBondContact O-N 3.25Å; D1519-H1523 IonicContact OD2-CD2 2.68Å; D1519-H1523 IonicContact OD2-CE1 2.75Å; D1519-H1523 IonicContact OD2-NE2 3.96Å; D1519-H1523 PolarHBondContact OD2-NE2 2.77Å | ||
| 1520 | K | 67.7 | Low | 80.9 | Confident | 162 Ų | 162 | 35.6 Ų | 35.6 | 70% | 0.704 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.1 | 177.5 | -64 | 170.3 | -174.4 | 163.2 | 0 | 112.7 | E1518 A1522 | E1518-K1520 PolarHBondContact O-N 3.02Å; K1520-A1522 VanDerWaalsContact C-N 3.29Å |
| 1521 | Q | 67.8 | Low | 80.5 | Confident | 114 Ų | 114 | 35.4 Ų | 35.4 | 53% | 0.533 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.6 | 169 | -61.6 | -170.4 | 3.4 | 0 | 0 | 112.5 | D1519 H1523 | D1519-Q1521 PolarHBondContact O-N 3.01Å; D1519-Q1521 VanDerWaalsContact O-N 3.14Å; D1519-Q1521 PolarHBondContact OD1-N 3.32Å; Q1521-H1523 PolarHBondContact OE1-CE1 2.73Å |
| 1522 | A | 67.6 | Low | 80.1 | Confident | 27 Ų | 27 | 37 Ų | 37 | 22% | 0.223 | 18% | 0.183 | C | C | . | . | trans | 51.1 | 74.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R943 D1519 K1520 | R943-A1522 HydrophobicContact CB-CB 3.86Å; R943-A1522 WeakPolarHBondContact CB-O 3.49Å; R943-A1522 HydrophobicContact CG-CB 4.32Å; D1519-A1522 WeakPolarHBondContact O-CA 3.36Å; D1519-A1522 PolarHBondContact O-N 3.25Å; K1520-A1522 VanDerWaalsContact C-N 3.29Å | ||
| 1523 | H | 71.3 | Confident | 79.6 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 20% | 0.201 | C | C | . | . | trans | -67.9 | 151.7 | -176.2 | -56.1 | -75.3 | 0 | 0 | 0 | 113 | R943 D1519 Q1521 L1527 L1528 L1531 | R943-H1523 CarbonylContact O-C 3.56Å; D1519-H1523 IonicContact OD2-CD2 2.68Å; D1519-H1523 IonicContact OD2-CE1 2.75Å; D1519-H1523 IonicContact OD2-NE2 3.96Å; D1519-H1523 PolarHBondContact OD2-NE2 2.77Å; Q1521-H1523 PolarHBondContact OE1-CE1 2.73Å; H1523-L1527 HydrophobicContact CB-CB 4.46Å; H1523-L1527 HydrophobicContact CB-CD2 3.89Å; H1523-L1527 HydrophobicContact CB-CG 4.04Å; H1523-L1528 HydrophobicContact CB-CD2 3.74Å; H1523-L1528 HydrophobicContact CB-CG 3.85Å; H1523-L1531 HydrophobicContact CB-CD1 4.4Å | ||
| 1524 | S | 74.5 | Confident | 79 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 12% | 0.119 | 20% | 0.202 | C | C | . | . | trans | -69.8 | 154.4 | 172 | 73.6 | 0 | 0 | 0 | 0 | 111.6 | R943 N1526 L1527 L1528 | R943-S1524 VanDerWaalsContact O-CA 3.24Å; R943-S1524 WeakPolarHBondContact O-CA 3.47Å; R943-S1524 PolarHBondContact O-N 2.7Å; S1524-N1526 VanDerWaalsContact C-N 3.31Å; S1524-N1526 PolarHBondContact O-N 3.43Å; S1524-L1527 CarbonylContact O-C 3.56Å; S1524-L1527 WeakPolarHBondContact O-CA 3.36Å; S1524-L1527 VanDerWaalsContact O-CB 3.32Å; S1524-L1527 WeakPolarHBondContact O-CB 3.46Å; S1524-L1527 PolarHBondContact O-N 3.31Å; S1524-L1527 WeakPolarHBondContact OG-CB 3.4Å; S1524-L1527 PolarHBondContact OG-N 2.68Å; S1524-L1528 PolarHBondContact O-N 3.4Å | ||
| 1525 | P | 75.1 | Confident | 78.8 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -34.8 | -172.7 | 27.8 | -37.4 | 0 | 0 | 0 | 112.1 | C944 E1257 I1261 L1527 L1528 T1529 | C944-P1525 VanDerWaalsContact CA-CD 3.42Å; C944-P1525 WeakPolarHBondContact O-CD 2.91Å; C944-P1525 WeakPolarHBondContact O-CG 3.44Å; E1257-P1525 HydrophobicContact CB-CB 3.51Å; E1257-P1525 HydrophobicContact CB-CG 3.76Å; E1257-P1525 VanDerWaalsContact OE2-CG 3.27Å; E1257-P1525 WeakPolarHBondContact OE2-CG 3.35Å; I1261-P1525 HydrophobicContact CD1-CB 4.08Å; I1261-P1525 VanDerWaalsContact CD1-O 3.31Å; I1261-P1525 WeakPolarHBondContact CD1-O 3.39Å; P1525-L1527 VanDerWaalsContact C-N 3.3Å; P1525-L1527 PolarHBondContact O-N 3.4Å; P1525-L1528 PolarHBondContact O-N 2.88Å; P1525-T1529 WeakPolarHBondContact O-CB 3.34Å; P1525-T1529 PolarHBondContact O-N 3.33Å; P1525-T1529 PolarHBondContact O-OG1 3.05Å |
| 1526 | N | 72.8 | Confident | 78.7 | Confident | 81 Ų | 81 | 39.5 Ų | 39.5 | 43% | 0.433 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 170.5 | -69.9 | -71.8 | 0 | 0 | 0 | 111.1 | E1257 S1524 T1529 D1530 R1652 | E1257-N1526 PolarHBondContact OE2-ND2 3.24Å; S1524-N1526 VanDerWaalsContact C-N 3.31Å; S1524-N1526 PolarHBondContact O-N 3.43Å; N1526-T1529 PolarHBondContact O-N 2.88Å; N1526-D1530 PolarHBondContact O-N 2.95Å; N1526-D1530 VanDerWaalsContact O-N 3.16Å; N1526-R1652 PolarHBondContact O-NH1 3.08Å |
| 1527 | L | 78.7 | Confident | 78.5 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.4 | -41.2 | 173.3 | 175.2 | 59.8 | 0 | 0 | 0 | 112.5 | H1523 S1524 P1525 T1529 D1530 L1531 P1646 | H1523-L1527 HydrophobicContact CB-CB 4.46Å; H1523-L1527 HydrophobicContact CB-CD2 3.89Å; H1523-L1527 HydrophobicContact CB-CG 4.04Å; S1524-L1527 CarbonylContact O-C 3.56Å; S1524-L1527 WeakPolarHBondContact O-CA 3.36Å; S1524-L1527 VanDerWaalsContact O-CB 3.32Å; S1524-L1527 WeakPolarHBondContact O-CB 3.46Å; S1524-L1527 PolarHBondContact O-N 3.31Å; S1524-L1527 WeakPolarHBondContact OG-CB 3.4Å; S1524-L1527 PolarHBondContact OG-N 2.68Å; P1525-L1527 VanDerWaalsContact C-N 3.3Å; P1525-L1527 PolarHBondContact O-N 3.4Å; L1527-T1529 VanDerWaalsContact C-N 3.25Å; L1527-T1529 PolarHBondContact O-N 3.37Å; L1527-D1530 PolarHBondContact O-N 3.28Å; L1527-L1531 HydrophobicContact CD1-CD1 4.01Å; L1527-L1531 HydrophobicContact CD1-CG 4.01Å; L1527-L1531 HydrophobicContact CG-CD1 3.88Å; L1527-L1531 HydrophobicContact CG-CG 4.35Å; L1527-L1531 WeakPolarHBondContact O-CB 3.25Å; L1527-L1531 WeakPolarHBondContact O-CG 3.41Å; L1527-L1531 PolarHBondContact O-N 3.03Å; L1527-P1646 HydrophobicContact CD1-CB 3.35Å; L1527-P1646 HydrophobicContact CD1-CG 3.66Å |
| 1528 | L | 82.5 | Confident | 78.4 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -37.9 | 171.4 | -71.9 | 173.4 | 0 | 0 | 0 | 111.3 | I1261 L1516 Y1517 H1523 S1524 P1525 L1531 R1532 | I1261-L1528 HydrophobicContact CD1-CB 3.97Å; L1516-L1528 HydrophobicContact CB-CD2 3.76Å; L1516-L1528 WeakPolarHBondContact O-CD2 3.44Å; Y1517-L1528 HydrophobicContact CD2-CD1 4.24Å; H1523-L1528 HydrophobicContact CB-CD2 3.74Å; H1523-L1528 HydrophobicContact CB-CG 3.85Å; S1524-L1528 PolarHBondContact O-N 3.4Å; P1525-L1528 PolarHBondContact O-N 2.88Å; L1528-L1531 PolarHBondContact O-N 2.62Å; L1528-R1532 WeakPolarHBondContact O-CB 3.38Å; L1528-R1532 PolarHBondContact O-N 2.95Å |
| 1529 | T | 81 | Confident | 78.4 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 177 | -59.8 | 0 | 0 | 0 | 0 | 112 | I1261 P1525 N1526 L1527 S1533 | I1261-T1529 VanDerWaalsContact CD1-OG1 3.29Å; I1261-T1529 WeakPolarHBondContact CD1-OG1 3.31Å; P1525-T1529 WeakPolarHBondContact O-CB 3.34Å; P1525-T1529 PolarHBondContact O-N 3.33Å; P1525-T1529 PolarHBondContact O-OG1 3.05Å; N1526-T1529 PolarHBondContact O-N 2.88Å; L1527-T1529 VanDerWaalsContact C-N 3.25Å; L1527-T1529 PolarHBondContact O-N 3.37Å; T1529-S1533 WeakPolarHBondContact O-CB 3.35Å; T1529-S1533 PolarHBondContact O-N 3.01Å; T1529-S1533 PolarHBondContact O-OG 2.89Å |
| 1530 | D | 77.3 | Confident | 78.6 | Confident | 18 Ų | 18 | 37 Ų | 37 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.1 | -40.3 | 174.4 | -81.7 | -39.3 | 0 | 0 | 0 | 111.8 | N1526 L1527 S1533 S1534 S1649 R1652 | N1526-D1530 PolarHBondContact O-N 2.95Å; N1526-D1530 VanDerWaalsContact O-N 3.16Å; L1527-D1530 PolarHBondContact O-N 3.28Å; D1530-S1533 PolarHBondContact O-N 2.91Å; D1530-S1534 WeakPolarHBondContact O-CB 3.44Å; D1530-S1534 PolarHBondContact O-N 3.16Å; D1530-S1534 PolarHBondContact O-OG 2.98Å; D1530-S1649 WeakPolarHBondContact OD1-CB 3.31Å; D1530-S1649 PolarHBondContact OD1-N 3.3Å; D1530-R1652 VanDerWaalsContact OD2-CD 3.24Å; D1530-R1652 WeakPolarHBondContact OD2-CD 3.19Å; D1530-R1652 IonicContact OD2-CZ 2.66Å; D1530-R1652 IonicContact OD2-NE 3.09Å; D1530-R1652 IonicContact OD2-NH1 3.45Å; D1530-R1652 PolarHBondContact OD2-NH1 3.13Å |
| 1531 | L | 83.8 | Confident | 79.7 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 176.1 | -75.1 | 170.7 | 0 | 0 | 0 | 111.8 | L1516 H1523 L1527 L1528 S1534 L1535 C1642 P1646 | L1516-L1531 HydrophobicContact CD1-CB 3.98Å; L1516-L1531 HydrophobicContact CD2-CB 4.34Å; L1516-L1531 HydrophobicContact CD2-CD1 4.33Å; H1523-L1531 HydrophobicContact CB-CD1 4.4Å; L1527-L1531 HydrophobicContact CD1-CD1 4.01Å; L1527-L1531 HydrophobicContact CD1-CG 4.01Å; L1527-L1531 HydrophobicContact CG-CD1 3.88Å; L1527-L1531 HydrophobicContact CG-CG 4.35Å; L1527-L1531 WeakPolarHBondContact O-CB 3.25Å; L1527-L1531 WeakPolarHBondContact O-CG 3.41Å; L1527-L1531 PolarHBondContact O-N 3.03Å; L1528-L1531 PolarHBondContact O-N 2.62Å; L1531-S1534 WeakPolarHBondContact CA-OG 3.12Å; L1531-S1534 PolarHBondContact O-N 2.79Å; L1531-S1534 PolarHBondContact O-OG 3.15Å; L1531-S1534 VanDerWaalsContact O-OG 3.11Å; L1531-L1535 VanDerWaalsContact O-CB 3.31Å; L1531-L1535 WeakPolarHBondContact O-CB 3.28Å; L1531-L1535 WeakPolarHBondContact O-CG 3.32Å; L1531-L1535 PolarHBondContact O-N 2.86Å; L1531-C1642 HydrophobicContact CD2-CB 4.16Å; L1531-P1646 HydrophobicContact CD2-CB 4.1Å |
| 1532 | R | 85.9 | Confident | 80.7 | Confident | 34 Ų | 34 | 24 Ų | 24 | 13% | 0.128 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 172.3 | -176.9 | -179.3 | 174.8 | -156.5 | 0.1 | 110.7 | D1264 D1509 T1513 L1528 S1534 V1536 | D1264-R1532 IonicContact OD2-CZ 2.71Å; D1264-R1532 IonicContact OD2-NH1 2.72Å; D1264-R1532 PolarHBondContact OD2-NH1 2.82Å; D1264-R1532 IonicContact OD2-NH2 2.7Å; D1264-R1532 PolarHBondContact OD2-NH2 3.03Å; D1509-R1532 IonicContact OD1-CZ 2.76Å; D1509-R1532 IonicContact OD1-NE 2.73Å; D1509-R1532 PolarHBondContact OD1-NE 3.1Å; D1509-R1532 IonicContact OD1-NH2 2.79Å; D1509-R1532 PolarHBondContact OD1-NH2 3.44Å; D1509-R1532 IonicContact OD2-CZ 3.96Å; D1509-R1532 IonicContact OD2-NE 2.67Å; D1509-R1532 IonicContact OD2-NH2 3.2Å; D1509-R1532 PolarHBondContact OD2-NH2 2.83Å; T1513-R1532 VanDerWaalsContact OG1-CD 3.27Å; T1513-R1532 WeakPolarHBondContact OG1-CD 3.16Å; T1513-R1532 PolarHBondContact OG1-NE 2.52Å; L1528-R1532 WeakPolarHBondContact O-CB 3.38Å; L1528-R1532 PolarHBondContact O-N 2.95Å; R1532-S1534 PolarHBondContact O-N 3.39Å; R1532-V1536 HydrophobicContact CG-CG2 4.04Å; R1532-V1536 WeakPolarHBondContact O-CA 3.36Å; R1532-V1536 WeakPolarHBondContact O-CB 3.32Å; R1532-V1536 WeakPolarHBondContact O-CG2 3.44Å; R1532-V1536 PolarHBondContact O-N 2.86Å |
| 1533 | S | 80.2 | Confident | 81.5 | Confident | 54 Ų | 54 | 23.1 Ų | 23.1 | 38% | 0.378 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -65 | -21.6 | -179.7 | -64.5 | 0 | 0 | 0 | 0 | 114.7 | T1529 D1530 | T1529-S1533 WeakPolarHBondContact O-CB 3.35Å; T1529-S1533 PolarHBondContact O-N 3.01Å; T1529-S1533 PolarHBondContact O-OG 2.89Å; D1530-S1533 PolarHBondContact O-N 2.91Å |
| 1534 | S | 79.7 | Confident | 82.4 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -97.8 | -39.3 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | D1530 L1531 R1532 N1537 I1540 D1582 P1647 | D1530-S1534 WeakPolarHBondContact O-CB 3.44Å; D1530-S1534 PolarHBondContact O-N 3.16Å; D1530-S1534 PolarHBondContact O-OG 2.98Å; L1531-S1534 WeakPolarHBondContact CA-OG 3.12Å; L1531-S1534 PolarHBondContact O-N 2.79Å; L1531-S1534 PolarHBondContact O-OG 3.15Å; L1531-S1534 VanDerWaalsContact O-OG 3.11Å; R1532-S1534 PolarHBondContact O-N 3.39Å; S1534-N1537 WeakPolarHBondContact O-CB 3.41Å; S1534-I1540 VanDerWaalsContact O-CG1 3.29Å; S1534-I1540 WeakPolarHBondContact O-CG1 3.27Å; S1534-D1582 WeakPolarHBondContact CB-OD2 3.38Å; S1534-P1647 WeakPolarHBondContact OG-CG 3.42Å |
| 1535 | L | 85.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -77.6 | -38.9 | 176.5 | -70.6 | 166 | 0 | 0 | 0 | 112.7 | I1512 L1516 L1531 N1537 F1541 Q1638 I1639 C1642 | I1512-L1535 HydrophobicContact CG2-CB 4.13Å; I1512-L1535 HydrophobicContact CG2-CD1 4.49Å; L1516-L1535 HydrophobicContact CD1-CD1 4.14Å; L1516-L1535 HydrophobicContact CD2-CD1 4Å; L1531-L1535 VanDerWaalsContact O-CB 3.31Å; L1531-L1535 WeakPolarHBondContact O-CB 3.28Å; L1531-L1535 WeakPolarHBondContact O-CG 3.32Å; L1531-L1535 PolarHBondContact O-N 2.86Å; L1535-N1537 PolarHBondContact O-N 3.47Å; L1535-N1537 VanDerWaalsContact O-N 3.07Å; L1535-F1541 VanDerWaalsContact O-CE1 3.27Å; L1535-F1541 WeakPolarHBondContact O-CE1 3.3Å; L1535-Q1638 HydrophobicContact CD2-CG 4.33Å; L1535-I1639 HydrophobicContact CD1-CG1 4.27Å; L1535-I1639 HydrophobicContact CD2-CG1 4.12Å; L1535-C1642 HydrophobicContact CD1-CB 4.34Å; L1535-C1642 HydrophobicContact CD2-CB 3.98Å; L1535-C1642 HydrophobicContact CG-CB 4.17Å |
| 1536 | V | 85.7 | Confident | 83.9 | Confident | 34 Ų | 34 | 22.3 Ų | 22.3 | 21% | 0.206 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -86.3 | 65.7 | 173.6 | -166.9 | 0 | 0 | 0 | 0 | 108.7 | D1509 I1512 R1532 F1541 | D1509-V1536 HydrophobicContact CB-CG1 4.07Å; I1512-V1536 HydrophobicContact CB-CG2 4.18Å; I1512-V1536 HydrophobicContact CD1-CG2 3.97Å; I1512-V1536 HydrophobicContact CG2-CG2 4.02Å; R1532-V1536 HydrophobicContact CG-CG2 4.04Å; R1532-V1536 WeakPolarHBondContact O-CA 3.36Å; R1532-V1536 WeakPolarHBondContact O-CB 3.32Å; R1532-V1536 WeakPolarHBondContact O-CG2 3.44Å; R1532-V1536 PolarHBondContact O-N 2.86Å; V1536-F1541 HydrophobicContact CG1-CE2 4.43Å; V1536-F1541 HydrophobicContact CG1-CZ 4.19Å |
| 1537 | N | 82.7 | Confident | 84.5 | Confident | 41 Ų | 41 | 22.3 Ų | 22.3 | 22% | 0.219 | 12% | 0.123 | C | C | . | . | trans | -137.1 | 124.3 | -173.5 | -177.6 | -5.8 | 0 | 0 | 0 | 110 | S1534 L1535 T1539 I1540 F1541 | S1534-N1537 WeakPolarHBondContact O-CB 3.41Å; L1535-N1537 PolarHBondContact O-N 3.47Å; L1535-N1537 VanDerWaalsContact O-N 3.07Å; N1537-T1539 PolarHBondContact O-N 3.32Å; N1537-T1539 WeakPolarHBondContact OD1-CB 3.45Å; N1537-T1539 PolarHBondContact OD1-N 3.4Å; N1537-T1539 PolarHBondContact OD1-OG1 3.38Å; N1537-I1540 HydrophobicContact CB-CG1 4.31Å; N1537-I1540 WeakPolarHBondContact O-CA 3.46Å; N1537-I1540 WeakPolarHBondContact O-CB 3.48Å; N1537-I1540 PolarHBondContact O-N 3.38Å; N1537-F1541 PolarHBondContact O-N 2.9Å | ||
| 1538 | N | 84.3 | Confident | 85 | Confident | 34 Ų | 34 | 23.3 Ų | 23.3 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.5 | -27.3 | 178 | -169.7 | -71.4 | 0 | 0 | 0 | 113 | S1542 K1603 D1607 | N1538-S1542 WeakPolarHBondContact O-CB 3.47Å; N1538-S1542 PolarHBondContact O-N 3.28Å; N1538-S1542 PolarHBondContact O-OG 3.45Å; N1538-S1542 PolarHBondContact OD1-OG 2.75Å; N1538-K1603 PolarHBondContact ND2-O 3.41Å; N1538-K1603 VanDerWaalsContact OD1-CA 3.29Å; N1538-K1603 WeakPolarHBondContact OD1-CA 3.5Å; N1538-K1603 PolarHBondContact OD1-O 3.22Å; N1538-D1607 PolarHBondContact ND2-OD1 3.04Å |
| 1539 | T | 82.2 | Confident | 85.3 | Confident | 38 Ų | 38 | 26 Ų | 26 | 23% | 0.233 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 171 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | N1537 S1542 S1543 L1585 V1601 | N1537-T1539 PolarHBondContact O-N 3.32Å; N1537-T1539 WeakPolarHBondContact OD1-CB 3.45Å; N1537-T1539 PolarHBondContact OD1-N 3.4Å; N1537-T1539 PolarHBondContact OD1-OG1 3.38Å; T1539-S1542 PolarHBondContact O-N 3.29Å; T1539-S1543 PolarHBondContact O-N 3.32Å; T1539-L1585 HydrophobicContact CG2-CD2 4.27Å; T1539-V1601 HydrophobicContact CG2-CG2 4.24Å |
| 1540 | I | 84.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.3 | -44 | 176.3 | -65.7 | -60.5 | 0 | 0 | 0 | 110.3 | S1534 N1537 S1542 S1543 L1544 F1581 Q1638 | S1534-I1540 VanDerWaalsContact O-CG1 3.29Å; S1534-I1540 WeakPolarHBondContact O-CG1 3.27Å; N1537-I1540 HydrophobicContact CB-CG1 4.31Å; N1537-I1540 WeakPolarHBondContact O-CA 3.46Å; N1537-I1540 WeakPolarHBondContact O-CB 3.48Å; N1537-I1540 PolarHBondContact O-N 3.38Å; I1540-S1542 VanDerWaalsContact C-N 3.3Å; I1540-S1542 PolarHBondContact O-N 3.37Å; I1540-S1543 PolarHBondContact O-N 3.34Å; I1540-S1543 PolarHBondContact O-OG 3.18Å; I1540-S1543 VanDerWaalsContact O-OG 3.11Å; I1540-L1544 HydrophobicContact CG2-CD1 3.82Å; I1540-L1544 HydrophobicContact CG2-CG 4.3Å; I1540-L1544 WeakPolarHBondContact O-CB 3.4Å; I1540-L1544 VanDerWaalsContact O-CG 3.3Å; I1540-L1544 WeakPolarHBondContact O-CG 3.23Å; I1540-L1544 PolarHBondContact O-N 3.06Å; I1540-F1581 HydrophobicContact CD1-CB 3.88Å; I1540-F1581 HydrophobicContact CD1-CD2 4.14Å; I1540-F1581 HydrophobicContact CD1-CG 4.32Å; I1540-Q1638 HydrophobicContact CD1-CG 4.44Å; I1540-Q1638 HydrophobicContact CG2-CG 4.15Å |
| 1541 | F | 90.8 | Very high | 86.3 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 175.9 | -60.3 | -22.4 | 0 | 0 | 0 | 111.9 | L1508 I1512 L1535 V1536 N1537 A1545 F1609 E1610 M1635 | L1508-F1541 HydrophobicContact CD1-CZ 4.41Å; I1512-F1541 HydrophobicContact CD1-CE1 4.24Å; I1512-F1541 HydrophobicContact CD1-CZ 4.24Å; L1535-F1541 VanDerWaalsContact O-CE1 3.27Å; L1535-F1541 WeakPolarHBondContact O-CE1 3.3Å; V1536-F1541 HydrophobicContact CG1-CE2 4.43Å; V1536-F1541 HydrophobicContact CG1-CZ 4.19Å; N1537-F1541 PolarHBondContact O-N 2.9Å; F1541-A1545 WeakPolarHBondContact O-CB 3.47Å; F1541-A1545 PolarHBondContact O-N 3.38Å; F1541-F1609 HydrophobicContact CB-CB 4.07Å; F1541-F1609 HydrophobicContact CB-CD1 3.62Å; F1541-F1609 HydrophobicContact CB-CE1 4.31Å; F1541-F1609 HydrophobicContact CB-CG 4.03Å; F1541-F1609 AromaticContact CD1-CD1 3.67Å; F1541-F1609 HydrophobicContact CD1-CD1 3.67Å; F1541-F1609 AromaticContact CD1-CE1 3.6Å; F1541-F1609 HydrophobicContact CD1-CE1 3.6Å; F1541-F1609 HydrophobicContact CD2-CD1 4.44Å; F1541-F1609 HydrophobicContact CE1-CD1 4.43Å; F1541-F1609 HydrophobicContact CE1-CE1 4.17Å; F1541-F1609 AromaticContact CG-CD1 3.67Å; F1541-F1609 HydrophobicContact CG-CD1 3.67Å; F1541-F1609 HydrophobicContact CG-CE1 4.11Å; F1541-E1610 HydrophobicContact CD2-CG 3.95Å; F1541-E1610 WeakPolarHBondContact CD2-OE1 3.13Å; F1541-E1610 HydrophobicContact CE2-CG 4.04Å; F1541-E1610 WeakPolarHBondContact CE2-OE1 3.39Å; F1541-M1635 HydrophobicContact CD1-CE 4.46Å; F1541-M1635 HydrophobicContact CE1-CE 3.89Å |
| 1542 | S | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 174 | -66.8 | 0 | 0 | 0 | 0 | 112.7 | N1538 T1539 I1540 A1545 V1546 V1601 G1606 | N1538-S1542 WeakPolarHBondContact O-CB 3.47Å; N1538-S1542 PolarHBondContact O-N 3.28Å; N1538-S1542 PolarHBondContact O-OG 3.45Å; N1538-S1542 PolarHBondContact OD1-OG 2.75Å; T1539-S1542 PolarHBondContact O-N 3.29Å; I1540-S1542 VanDerWaalsContact C-N 3.3Å; I1540-S1542 PolarHBondContact O-N 3.37Å; S1542-A1545 PolarHBondContact O-N 3.18Å; S1542-V1546 WeakPolarHBondContact O-CG2 3.46Å; S1542-V1546 PolarHBondContact O-N 3.46Å; S1542-V1546 VanDerWaalsContact O-N 3.07Å; S1542-V1601 WeakPolarHBondContact OG-CG1 3.39Å; S1542-G1606 PolarHBondContact OG-N 2.78Å; S1542-G1606 VanDerWaalsContact OG-N 3.1Å |
| 1543 | S | 85.2 | Confident | 86.7 | Confident | 8 Ų | 8 | 27.9 Ų | 27.9 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.3 | -36 | 179.1 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | T1539 I1540 V1546 K1547 | T1539-S1543 PolarHBondContact O-N 3.32Å; I1540-S1543 PolarHBondContact O-N 3.34Å; I1540-S1543 PolarHBondContact O-OG 3.18Å; I1540-S1543 VanDerWaalsContact O-OG 3.11Å; S1543-V1546 PolarHBondContact O-N 3.18Å; S1543-K1547 WeakPolarHBondContact O-CB 3.5Å; S1543-K1547 PolarHBondContact O-N 2.9Å |
| 1544 | L | 88.7 | Confident | 87.1 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -43.6 | 171.2 | -69.2 | 173.3 | 0 | 0 | 0 | 112.1 | I1540 V1546 K1547 F1548 F1609 M1635 | I1540-L1544 HydrophobicContact CG2-CD1 3.82Å; I1540-L1544 HydrophobicContact CG2-CG 4.3Å; I1540-L1544 WeakPolarHBondContact O-CB 3.4Å; I1540-L1544 VanDerWaalsContact O-CG 3.3Å; I1540-L1544 WeakPolarHBondContact O-CG 3.23Å; I1540-L1544 PolarHBondContact O-N 3.06Å; L1544-V1546 PolarHBondContact O-N 3Å; L1544-K1547 PolarHBondContact O-N 2.78Å; L1544-K1547 VanDerWaalsContact O-N 3.15Å; L1544-F1548 HydrophobicContact CD2-CE2 4.38Å; L1544-F1548 WeakPolarHBondContact O-CD2 3.06Å; L1544-F1548 PolarHBondContact O-N 2.94Å; L1544-F1609 HydrophobicContact CB-CD2 4.47Å; L1544-F1609 HydrophobicContact CB-CE2 3.82Å; L1544-F1609 HydrophobicContact CB-CZ 4.04Å; L1544-F1609 HydrophobicContact CD1-CE1 4.47Å; L1544-F1609 HydrophobicContact CD1-CZ 3.95Å; L1544-M1635 HydrophobicContact CD1-CE 4.36Å; L1544-M1635 HydrophobicContact CD1-CG 3.87Å |
| 1545 | A | 91.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.5 | -32.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1541 S1542 K1549 F1550 L1605 F1609 | F1541-A1545 WeakPolarHBondContact O-CB 3.47Å; F1541-A1545 PolarHBondContact O-N 3.38Å; S1542-A1545 PolarHBondContact O-N 3.18Å; A1545-K1549 CarbonylContact O-C 3.6Å; A1545-K1549 WeakPolarHBondContact O-CA 3.22Å; A1545-K1549 PolarHBondContact O-N 3.48Å; A1545-K1549 VanDerWaalsContact O-N 3.14Å; A1545-F1550 HydrophobicContact CB-CB 4.12Å; A1545-F1550 HydrophobicContact CB-CG 4.31Å; A1545-F1550 PolarHBondContact O-N 3.47Å; A1545-L1605 HydrophobicContact CB-CB 4.38Å; A1545-L1605 WeakPolarHBondContact CB-O 3.33Å; A1545-F1609 HydrophobicContact CB-CB 4.35Å; A1545-F1609 HydrophobicContact CB-CD2 4.23Å |
| 1546 | V | 89.2 | Confident | 87.1 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 6% | 0.055 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -74.8 | -48.6 | 170.4 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | S1542 S1543 L1544 F1548 K1549 F1568 V1569 L1572 L1605 | S1542-V1546 WeakPolarHBondContact O-CG2 3.46Å; S1542-V1546 PolarHBondContact O-N 3.46Å; S1542-V1546 VanDerWaalsContact O-N 3.07Å; S1543-V1546 PolarHBondContact O-N 3.18Å; L1544-V1546 PolarHBondContact O-N 3Å; V1546-F1548 VanDerWaalsContact C-N 3.31Å; V1546-F1548 PolarHBondContact O-N 2.73Å; V1546-K1549 WeakPolarHBondContact O-CA 3.39Å; V1546-K1549 WeakPolarHBondContact O-CG 3.37Å; V1546-K1549 PolarHBondContact O-N 3.13Å; V1546-F1568 HydrophobicContact CG2-CD1 3.98Å; V1546-F1568 HydrophobicContact CG2-CE1 4.05Å; V1546-V1569 HydrophobicContact CG1-CB 4.37Å; V1546-V1569 HydrophobicContact CG1-CG1 4.31Å; V1546-V1569 HydrophobicContact CG1-CG2 3.96Å; V1546-V1569 HydrophobicContact CG2-CG2 3.77Å; V1546-L1572 HydrophobicContact CB-CD1 3.66Å; V1546-L1572 HydrophobicContact CG1-CB 4.23Å; V1546-L1572 HydrophobicContact CG1-CD1 3.71Å; V1546-L1572 HydrophobicContact CG2-CD1 3.93Å; V1546-L1605 HydrophobicContact CG2-CD1 3.97Å |
| 1547 | K | 86.1 | Confident | 86.4 | Confident | 80 Ų | 80 | 27.3 Ų | 27.3 | 35% | 0.348 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -55.7 | -43.3 | 179.3 | -172.5 | 167.8 | 176.4 | 172.6 | 0 | 111.9 | S1543 L1544 K1549 E1637 | S1543-K1547 WeakPolarHBondContact O-CB 3.5Å; S1543-K1547 PolarHBondContact O-N 2.9Å; L1544-K1547 PolarHBondContact O-N 2.78Å; L1544-K1547 VanDerWaalsContact O-N 3.15Å; K1547-K1549 VanDerWaalsContact C-N 3.35Å; K1547-E1637 IonicContact NZ-OE1 2.93Å; K1547-E1637 PolarHBondContact NZ-OE1 2.95Å; K1547-E1637 VanDerWaalsContact NZ-OE1 3.09Å; K1547-E1637 IonicContact NZ-OE2 3.87Å; K1547-E1637 PolarHBondContact NZ-OE2 3.01Å |
| 1548 | F | 88.7 | Confident | 85.6 | Confident | 51 Ų | 51 | 26.4 Ų | 26.4 | 22% | 0.224 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 1.6 | 175.7 | -69.8 | -94.4 | 0 | 0 | 0 | 113.8 | K1468 L1544 V1546 F1550 I1634 | K1468-F1548 VanDerWaalsContact CE-O 3.25Å; K1468-F1548 WeakPolarHBondContact CE-O 3.4Å; K1468-F1548 PolarHBondContact NZ-O 3.35Å; L1544-F1548 HydrophobicContact CD2-CE2 4.38Å; L1544-F1548 WeakPolarHBondContact O-CD2 3.06Å; L1544-F1548 PolarHBondContact O-N 2.94Å; V1546-F1548 VanDerWaalsContact C-N 3.31Å; V1546-F1548 PolarHBondContact O-N 2.73Å; F1548-F1550 HydrophobicContact CB-CD1 3.99Å; F1548-F1550 HydrophobicContact CB-CE1 3.84Å; F1548-I1634 HydrophobicContact CD1-CG1 4.14Å; F1548-I1634 HydrophobicContact CD2-CG2 3.8Å; F1548-I1634 HydrophobicContact CE1-CG1 4.01Å; F1548-I1634 HydrophobicContact CE2-CB 4.25Å; F1548-I1634 HydrophobicContact CE2-CG2 3.74Å; F1548-I1634 WeakPolarHBondContact CE2-O 3.37Å; F1548-I1634 HydrophobicContact CG-CG1 4.46Å; F1548-I1634 HydrophobicContact CG-CG2 4.34Å; F1548-I1634 HydrophobicContact CZ-CB 4.22Å; F1548-I1634 HydrophobicContact CZ-CG1 4.21Å; F1548-I1634 HydrophobicContact CZ-CG2 4.21Å |
| 1549 | K | 89.5 | Confident | 84.3 | Confident | 62 Ų | 62 | 25.9 Ų | 25.9 | 27% | 0.27 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 40 | 175.7 | -45.4 | -162.7 | 177.5 | -120.9 | 0 | 116.2 | A1545 V1546 K1547 H1551 Q1552 Y1553 E1573 | A1545-K1549 CarbonylContact O-C 3.6Å; A1545-K1549 WeakPolarHBondContact O-CA 3.22Å; A1545-K1549 PolarHBondContact O-N 3.48Å; A1545-K1549 VanDerWaalsContact O-N 3.14Å; V1546-K1549 WeakPolarHBondContact O-CA 3.39Å; V1546-K1549 WeakPolarHBondContact O-CG 3.37Å; V1546-K1549 PolarHBondContact O-N 3.13Å; K1547-K1549 VanDerWaalsContact C-N 3.35Å; K1549-H1551 PolarHBondContact O-N 3.45Å; K1549-Q1552 HydrophobicContact CB-CG 4.01Å; K1549-Q1552 PolarHBondContact O-N 3.18Å; K1549-Y1553 WeakPolarHBondContact O-CD2 3.38Å; K1549-E1573 IonicContact NZ-OE1 3.18Å; K1549-E1573 PolarHBondContact NZ-OE1 2.89Å |
| 1550 | F | 92 | Very high | 83.5 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -56.6 | -36.7 | 171.3 | -75.8 | 36.4 | 0 | 0 | 0 | 111.2 | F1465 I1469 A1545 F1548 Q1552 Y1553 F1554 I1608 F1609 V1612 I1634 | F1465-F1550 HydrophobicContact CE2-CB 4.37Å; F1465-F1550 AromaticContact CE2-CD1 3.61Å; F1465-F1550 HydrophobicContact CE2-CD1 3.61Å; F1465-F1550 HydrophobicContact CE2-CD2 4.31Å; F1465-F1550 AromaticContact CE2-CE1 3.91Å; F1465-F1550 HydrophobicContact CE2-CE1 3.91Å; F1465-F1550 AromaticContact CE2-CG 3.82Å; F1465-F1550 HydrophobicContact CE2-CG 3.82Å; F1465-F1550 HydrophobicContact CE2-CZ 4.38Å; F1465-F1550 AromaticContact CZ-CD1 3.93Å; F1465-F1550 HydrophobicContact CZ-CD1 3.93Å; F1465-F1550 HydrophobicContact CZ-CD2 4.02Å; F1465-F1550 AromaticContact CZ-CE1 3.87Å; F1465-F1550 HydrophobicContact CZ-CE1 3.87Å; F1465-F1550 AromaticContact CZ-CE2 3.96Å; F1465-F1550 HydrophobicContact CZ-CE2 3.96Å; F1465-F1550 HydrophobicContact CZ-CG 4Å; F1465-F1550 AromaticContact CZ-CZ 3.88Å; F1465-F1550 HydrophobicContact CZ-CZ 3.88Å; I1469-F1550 HydrophobicContact CG2-CE1 4.2Å; I1469-F1550 HydrophobicContact CG2-CZ 4.31Å; A1545-F1550 HydrophobicContact CB-CB 4.12Å; A1545-F1550 HydrophobicContact CB-CG 4.31Å; A1545-F1550 PolarHBondContact O-N 3.47Å; F1548-F1550 HydrophobicContact CB-CD1 3.99Å; F1548-F1550 HydrophobicContact CB-CE1 3.84Å; F1550-Q1552 PolarHBondContact O-N 2.95Å; F1550-Y1553 PolarHBondContact O-N 3.34Å; F1550-F1554 PolarHBondContact O-N 3.34Å; F1550-I1608 HydrophobicContact CB-CD1 4.28Å; F1550-F1609 HydrophobicContact CD2-CD2 4.31Å; F1550-F1609 AromaticContact CE2-CD2 3.79Å; F1550-F1609 HydrophobicContact CE2-CD2 3.79Å; F1550-F1609 HydrophobicContact CE2-CE2 4.47Å; F1550-F1609 HydrophobicContact CZ-CD2 4.01Å; F1550-F1609 HydrophobicContact CZ-CE2 4.25Å; F1550-V1612 HydrophobicContact CD2-CG2 4.42Å; F1550-V1612 HydrophobicContact CE2-CB 4.09Å; F1550-V1612 HydrophobicContact CE2-CG1 4.22Å; F1550-V1612 HydrophobicContact CE2-CG2 4.17Å; F1550-I1634 HydrophobicContact CZ-CD1 4.43Å |
| 1551 | H | 88.1 | Confident | 82.8 | Confident | 36 Ų | 36 | 27.7 Ų | 27.7 | 17% | 0.167 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -56 | -21.5 | 177.3 | 64.7 | -97.7 | 0 | 0 | 0 | 114.9 | K1549 Y1553 I1565 L1605 | K1549-H1551 PolarHBondContact O-N 3.45Å; H1551-Y1553 VanDerWaalsContact C-N 3.31Å; H1551-I1565 HydrophobicContact CB-CG2 4.05Å; H1551-L1605 HydrophobicContact CB-CD2 3.89Å |
| 1552 | Q | 87.5 | Confident | 82 | Confident | 111 Ų | 111 | 29.2 Ų | 29.2 | 52% | 0.519 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -77 | -18 | 178.1 | -64.1 | -173.1 | -45.2 | 0 | 0 | 113.4 | K1549 F1550 | K1549-Q1552 HydrophobicContact CB-CG 4.01Å; K1549-Q1552 PolarHBondContact O-N 3.18Å; F1550-Q1552 PolarHBondContact O-N 2.95Å |
| 1553 | Y | 89.7 | Confident | 81.1 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -0.5 | -177.6 | -53.4 | -90.6 | 0 | 0 | 0 | 112.2 | F1460 L1462 Q1464 F1465 K1549 F1550 H1551 M1555 | F1460-Y1553 WeakPolarHBondContact O-CD1 3.45Å; L1462-Y1553 HydrophobicContact CD2-CD1 4.22Å; Q1464-Y1553 HydrophobicContact CB-CE1 4.21Å; Q1464-Y1553 WeakPolarHBondContact CG-OH 3.49Å; Q1464-Y1553 PolarHBondContact OE1-OH 3.02Å; Q1464-Y1553 VanDerWaalsContact OE1-OH 3.08Å; F1465-Y1553 HydrophobicContact CB-CD1 3.91Å; F1465-Y1553 HydrophobicContact CB-CD2 4.34Å; F1465-Y1553 HydrophobicContact CB-CE1 4Å; F1465-Y1553 HydrophobicContact CB-CE2 4.44Å; F1465-Y1553 HydrophobicContact CB-CG 4.08Å; F1465-Y1553 AromaticContact CD2-CD2 3.52Å; F1465-Y1553 HydrophobicContact CD2-CD2 3.52Å; F1465-Y1553 AromaticContact CD2-CE2 3.89Å; F1465-Y1553 HydrophobicContact CD2-CE2 3.89Å; F1465-Y1553 AromaticContact CD2-CG 3.89Å; F1465-Y1553 HydrophobicContact CD2-CG 3.89Å; F1465-Y1553 HydrophobicContact CE2-CD2 4.29Å; F1465-Y1553 HydrophobicContact CG-CD2 4.34Å; F1465-Y1553 HydrophobicContact CG-CG 4.32Å; K1549-Y1553 WeakPolarHBondContact O-CD2 3.38Å; F1550-Y1553 PolarHBondContact O-N 3.34Å; H1551-Y1553 VanDerWaalsContact C-N 3.31Å; Y1553-M1555 PolarHBondContact O-N 3.02Å |
| 1554 | F | 88.2 | Confident | 80.5 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | trans | -75.3 | 120.6 | -176.1 | 179.5 | -132.9 | 0 | 0 | 0 | 111.2 | L1483 H1485 F1550 V1556 L1561 I1565 V1604 I1608 | L1483-F1554 WeakPolarHBondContact O-CD2 3.45Å; H1485-F1554 HydrophobicContact CB-CE2 3.78Å; H1485-F1554 HydrophobicContact CB-CZ 3.6Å; H1485-F1554 AromaticContact CD2-CZ 3.79Å; H1485-F1554 AromaticContact CG-CZ 3.86Å; F1550-F1554 PolarHBondContact O-N 3.34Å; F1554-V1556 HydrophobicContact CD1-CB 3.91Å; F1554-V1556 HydrophobicContact CD1-CG1 3.82Å; F1554-V1556 HydrophobicContact CE1-CB 3.64Å; F1554-V1556 HydrophobicContact CE1-CG1 3.98Å; F1554-V1556 HydrophobicContact CE1-CG2 3.98Å; F1554-V1556 HydrophobicContact CZ-CB 4.11Å; F1554-V1556 HydrophobicContact CZ-CG2 4.4Å; F1554-V1556 PolarHBondContact O-N 3.03Å; F1554-L1561 HydrophobicContact CE1-CD2 4.41Å; F1554-I1565 HydrophobicContact CD1-CD1 4.12Å; F1554-I1565 HydrophobicContact CE1-CD1 3.99Å; F1554-V1604 HydrophobicContact CE1-CG1 4.1Å; F1554-V1604 HydrophobicContact CE2-CG1 4.26Å; F1554-V1604 HydrophobicContact CZ-CG1 3.46Å; F1554-V1604 VanDerWaalsContact CZ-CG1 3.46Å; F1554-I1608 HydrophobicContact CB-CD1 4.15Å; F1554-I1608 HydrophobicContact CD2-CD1 3.91Å; F1554-I1608 HydrophobicContact CD2-CG2 3.8Å; F1554-I1608 HydrophobicContact CE2-CD1 4.47Å; F1554-I1608 HydrophobicContact CE2-CG2 3.53Å; F1554-I1608 HydrophobicContact CG-CD1 3.98Å; F1554-I1608 HydrophobicContact CZ-CG2 4.31Å | ||
| 1555 | M | 85.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -88.4 | 99.7 | -178 | -41.1 | -173.5 | -168.3 | 0 | 0 | 109.2 | L1456 F1460 L1462 V1480 L1483 C1484 H1485 Y1488 Y1553 | L1456-M1555 HydrophobicContact CB-CE 4.5Å; L1456-M1555 HydrophobicContact CD2-SD 4.37Å; F1460-M1555 HydrophobicContact CD1-CG 4.25Å; F1460-M1555 HydrophobicContact CD2-CE 3.76Å; F1460-M1555 HydrophobicContact CD2-CG 3.91Å; F1460-M1555 HydrophobicContact CD2-SD 3.8Å; F1460-M1555 HydrophobicContact CE1-CB 4.33Å; F1460-M1555 HydrophobicContact CE1-CG 3.96Å; F1460-M1555 HydrophobicContact CE2-CB 4.18Å; F1460-M1555 HydrophobicContact CE2-CE 4.23Å; F1460-M1555 HydrophobicContact CE2-CG 3.59Å; F1460-M1555 HydrophobicContact CE2-SD 3.62Å; F1460-M1555 HydrophobicContact CG-CE 4.22Å; F1460-M1555 HydrophobicContact CG-CG 4.23Å; F1460-M1555 HydrophobicContact CZ-CB 3.85Å; F1460-M1555 HydrophobicContact CZ-CG 3.62Å; F1460-M1555 HydrophobicContact CZ-SD 4.25Å; L1462-M1555 HydrophobicContact CD1-CE 3.83Å; L1462-M1555 HydrophobicContact CD2-CE 4.38Å; L1462-M1555 HydrophobicContact CG-CE 4.49Å; V1480-M1555 HydrophobicContact CG1-CE 4.21Å; V1480-M1555 HydrophobicContact CG2-CE 4.35Å; L1483-M1555 PolarHBondContact O-N 3.07Å; C1484-M1555 HydrophobicContact CB-CB 4.49Å; H1485-M1555 VanDerWaalsContact CB-O 3.32Å; H1485-M1555 WeakPolarHBondContact CB-O 3.41Å; H1485-M1555 PolarHBondContact N-O 2.92Å; Y1488-M1555 WeakPolarHBondContact CB-O 3.26Å; Y1488-M1555 HydrophobicContact CD1-CB 3.87Å; Y1488-M1555 HydrophobicContact CD2-CB 3.76Å; Y1488-M1555 HydrophobicContact CE1-CB 4.11Å; Y1488-M1555 HydrophobicContact CE1-SD 4.32Å; Y1488-M1555 HydrophobicContact CE2-CB 4.03Å; Y1488-M1555 HydrophobicContact CG-CB 3.72Å; Y1553-M1555 PolarHBondContact O-N 3.02Å |
| 1556 | V | 80.2 | Confident | 79.6 | Confident | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.152 | 20% | 0.202 | C | C | . | . | trans | -132.3 | 154 | -176 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | H1485 F1554 N1558 L1561 | H1485-V1556 HydrophobicContact CB-CB 4.2Å; H1485-V1556 HydrophobicContact CB-CG2 4.25Å; F1554-V1556 HydrophobicContact CD1-CB 3.91Å; F1554-V1556 HydrophobicContact CD1-CG1 3.82Å; F1554-V1556 HydrophobicContact CE1-CB 3.64Å; F1554-V1556 HydrophobicContact CE1-CG1 3.98Å; F1554-V1556 HydrophobicContact CE1-CG2 3.98Å; F1554-V1556 HydrophobicContact CZ-CB 4.11Å; F1554-V1556 HydrophobicContact CZ-CG2 4.4Å; F1554-V1556 PolarHBondContact O-N 3.03Å; V1556-N1558 HydrophobicContact CG2-CB 4.41Å; V1556-L1561 HydrophobicContact CG2-CD2 3.9Å; V1556-L1561 HydrophobicContact CG2-CG 4.44Å | ||
| 1557 | L | 69.7 | Low | 78.9 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | trans | -138.8 | 60.7 | 174.3 | -66.5 | 178.1 | 0 | 0 | 0 | 110 | E11 S1487 Y1488 Y1490 | E11-L1557 WeakPolarHBondContact OE1-CA 3.25Å; S1487-L1557 PolarHBondContact OG-N 3.47Å; Y1488-L1557 HydrophobicContact CD2-CD1 4.28Å; Y1488-L1557 HydrophobicContact CD2-CD2 4.2Å; Y1488-L1557 HydrophobicContact CD2-CG 3.73Å; Y1488-L1557 HydrophobicContact CE2-CD2 4.31Å; Y1488-L1557 HydrophobicContact CE2-CG 4.28Å; Y1488-L1557 HydrophobicContact CG-CG 4.44Å; Y1490-L1557 HydrophobicContact CD2-CD1 3.85Å; Y1490-L1557 HydrophobicContact CE2-CD1 3.77Å; Y1490-L1557 HydrophobicContact CE2-CD2 4.09Å | ||
| 1558 | N | 67.2 | Low | 78.6 | Confident | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | trans | -150.8 | 127.3 | 176.6 | -174.2 | -82 | 0 | 0 | 0 | 112.3 | E11 F487 V1556 T1560 L1561 C1562 | E11-N1558 PolarHBondContact OE1-N 3.12Å; E11-N1558 PolarHBondContact OE2-N 3.39Å; F487-N1558 PolarHBondContact O-ND2 3.33Å; V1556-N1558 HydrophobicContact CG2-CB 4.41Å; N1558-T1560 PolarHBondContact OD1-N 3.02Å; N1558-T1560 VanDerWaalsContact OD1-N 3.12Å; N1558-L1561 HydrophobicContact CB-CB 4.13Å; N1558-L1561 PolarHBondContact O-N 3.26Å; N1558-L1561 PolarHBondContact OD1-N 3.33Å; N1558-C1562 WeakPolarHBondContact O-CB 3.48Å; N1558-C1562 PolarHBondContact O-N 2.9Å; N1558-C1562 PolarHBondContact O-SG 2.93Å | ||
| 1559 | P | 57.5 | Low | 78.4 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -82.5 | -32.6 | -166.7 | 32.4 | -30.7 | 0 | 0 | 0 | 111.2 | E11 L1561 C1562 T1563 | E11-P1559 HydrophobicContact CB-CB 3.66Å; E11-P1559 HydrophobicContact CB-CG 3.63Å; E11-P1559 VanDerWaalsContact OE2-CA 3.22Å; E11-P1559 WeakPolarHBondContact OE2-CA 3.39Å; E11-P1559 WeakPolarHBondContact OE2-CB 3.48Å; P1559-L1561 VanDerWaalsContact C-N 3.27Å; P1559-L1561 PolarHBondContact O-N 3.43Å; P1559-C1562 PolarHBondContact O-N 3.48Å; P1559-T1563 VanDerWaalsContact O-CB 3.31Å; P1559-T1563 WeakPolarHBondContact O-CB 3.12Å; P1559-T1563 PolarHBondContact O-N 3.01Å; P1559-T1563 PolarHBondContact O-OG1 2.77Å; P1559-T1563 VanDerWaalsContact O-OG1 3.13Å |
| 1560 | T | 64.7 | Low | 78 | Confident | 79 Ų | 79 | 41.3 Ų | 41.3 | 49% | 0.485 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68 | -35.5 | 179.3 | -47.6 | 0 | 0 | 0 | 0 | 109.9 | F487 N1558 K1564 | F487-T1560 HydrophobicContact CD1-CG2 3.97Å; F487-T1560 HydrophobicContact CE1-CG2 3.66Å; N1558-T1560 PolarHBondContact OD1-N 3.02Å; N1558-T1560 VanDerWaalsContact OD1-N 3.12Å; T1560-K1564 VanDerWaalsContact O-CB 3.26Å; T1560-K1564 WeakPolarHBondContact O-CB 3.23Å; T1560-K1564 WeakPolarHBondContact O-CG 3.13Å; T1560-K1564 PolarHBondContact O-N 3.19Å; T1560-K1564 VanDerWaalsContact O-N 3.15Å |
| 1561 | L | 69.2 | Low | 77.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.2 | -48.6 | 171.3 | -176.1 | 54.1 | 0 | 0 | 0 | 111.5 | F487 F1554 V1556 N1558 P1559 T1563 K1564 I1565 P1602 V1604 | F487-L1561 HydrophobicContact CD2-CB 4.16Å; F487-L1561 HydrophobicContact CD2-CD1 4.32Å; F487-L1561 HydrophobicContact CE2-CD1 4.25Å; F487-L1561 HydrophobicContact CG-CB 4.42Å; F1554-L1561 HydrophobicContact CE1-CD2 4.41Å; V1556-L1561 HydrophobicContact CG2-CD2 3.9Å; V1556-L1561 HydrophobicContact CG2-CG 4.44Å; N1558-L1561 HydrophobicContact CB-CB 4.13Å; N1558-L1561 PolarHBondContact O-N 3.26Å; N1558-L1561 PolarHBondContact OD1-N 3.33Å; P1559-L1561 VanDerWaalsContact C-N 3.27Å; P1559-L1561 PolarHBondContact O-N 3.43Å; L1561-T1563 PolarHBondContact O-N 3.18Å; L1561-K1564 WeakPolarHBondContact O-CB 3.42Å; L1561-K1564 PolarHBondContact O-N 3.04Å; L1561-I1565 HydrophobicContact CD1-CD1 3.95Å; L1561-I1565 HydrophobicContact CD1-CG1 4.2Å; L1561-I1565 HydrophobicContact CG-CD1 3.91Å; L1561-I1565 VanDerWaalsContact O-CG1 3.32Å; L1561-I1565 WeakPolarHBondContact O-CG1 3.39Å; L1561-I1565 PolarHBondContact O-N 3.38Å; L1561-P1602 HydrophobicContact CD1-CB 4.28Å; L1561-V1604 HydrophobicContact CD1-CB 4.2Å; L1561-V1604 HydrophobicContact CD1-CG2 3.77Å; L1561-V1604 HydrophobicContact CD2-CB 4.32Å; L1561-V1604 HydrophobicContact CD2-CG1 4.29Å; L1561-V1604 HydrophobicContact CD2-CG2 3.93Å |
| 1562 | C | 73.6 | Confident | 76.8 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.4 | -53.4 | 176.1 | -69.4 | 0 | 0 | 0 | 0 | 112 | N1558 P1559 K1564 I1565 E1566 | N1558-C1562 WeakPolarHBondContact O-CB 3.48Å; N1558-C1562 PolarHBondContact O-N 2.9Å; N1558-C1562 PolarHBondContact O-SG 2.93Å; P1559-C1562 PolarHBondContact O-N 3.48Å; C1562-K1564 VanDerWaalsContact C-N 3.31Å; C1562-K1564 PolarHBondContact O-N 3.16Å; C1562-I1565 CarbonylContact O-C 3.49Å; C1562-I1565 WeakPolarHBondContact O-CA 3.42Å; C1562-I1565 WeakPolarHBondContact O-CB 3.45Å; C1562-I1565 PolarHBondContact O-N 2.97Å; C1562-E1566 WeakPolarHBondContact O-CG 3.39Å; C1562-E1566 PolarHBondContact O-N 3.46Å |
| 1563 | T | 71.5 | Confident | 76.3 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.6 | -28 | 178 | -57.5 | 0 | 0 | 0 | 0 | 113 | P1559 L1561 K1567 | P1559-T1563 VanDerWaalsContact O-CB 3.31Å; P1559-T1563 WeakPolarHBondContact O-CB 3.12Å; P1559-T1563 PolarHBondContact O-N 3.01Å; P1559-T1563 PolarHBondContact O-OG1 2.77Å; P1559-T1563 VanDerWaalsContact O-OG1 3.13Å; L1561-T1563 PolarHBondContact O-N 3.18Å; T1563-K1567 WeakPolarHBondContact O-CB 3.15Å; T1563-K1567 VanDerWaalsContact O-CG 3.26Å; T1563-K1567 WeakPolarHBondContact O-CG 3.43Å; T1563-K1567 PolarHBondContact O-N 3.49Å |
| 1564 | K | 71.3 | Confident | 75.5 | Confident | 52 Ų | 52 | 46.8 Ų | 46.8 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 168.2 | -94.2 | -169 | 163.9 | -139.8 | 0 | 111.2 | F487 T1560 L1561 C1562 K1567 F1568 E1600 P1602 | F487-K1564 HydrophobicContact CZ-CD 4.07Å; T1560-K1564 VanDerWaalsContact O-CB 3.26Å; T1560-K1564 WeakPolarHBondContact O-CB 3.23Å; T1560-K1564 WeakPolarHBondContact O-CG 3.13Å; T1560-K1564 PolarHBondContact O-N 3.19Å; T1560-K1564 VanDerWaalsContact O-N 3.15Å; L1561-K1564 WeakPolarHBondContact O-CB 3.42Å; L1561-K1564 PolarHBondContact O-N 3.04Å; C1562-K1564 VanDerWaalsContact C-N 3.31Å; C1562-K1564 PolarHBondContact O-N 3.16Å; K1564-K1567 PolarHBondContact O-N 3.26Å; K1564-F1568 WeakPolarHBondContact O-CB 3.31Å; K1564-F1568 PolarHBondContact O-N 3.2Å; K1564-E1600 PolarHBondContact NZ-O 3.24Å; K1564-E1600 IonicContact NZ-OE2 3.58Å; K1564-E1600 PolarHBondContact NZ-OE2 3.22Å; K1564-P1602 HydrophobicContact CB-CB 4.36Å; K1564-P1602 HydrophobicContact CB-CG 4.22Å |
| 1565 | I | 80.5 | Confident | 74.5 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 176.6 | -69.3 | 168 | 0 | 0 | 0 | 110.3 | H1551 F1554 L1561 C1562 K1567 F1568 V1569 P1602 L1605 | H1551-I1565 HydrophobicContact CB-CG2 4.05Å; F1554-I1565 HydrophobicContact CD1-CD1 4.12Å; F1554-I1565 HydrophobicContact CE1-CD1 3.99Å; L1561-I1565 HydrophobicContact CD1-CD1 3.95Å; L1561-I1565 HydrophobicContact CD1-CG1 4.2Å; L1561-I1565 HydrophobicContact CG-CD1 3.91Å; L1561-I1565 VanDerWaalsContact O-CG1 3.32Å; L1561-I1565 WeakPolarHBondContact O-CG1 3.39Å; L1561-I1565 PolarHBondContact O-N 3.38Å; C1562-I1565 CarbonylContact O-C 3.49Å; C1562-I1565 WeakPolarHBondContact O-CA 3.42Å; C1562-I1565 WeakPolarHBondContact O-CB 3.45Å; C1562-I1565 PolarHBondContact O-N 2.97Å; I1565-K1567 PolarHBondContact O-N 3.37Å; I1565-F1568 PolarHBondContact O-N 2.74Å; I1565-F1568 VanDerWaalsContact O-N 3.14Å; I1565-V1569 HydrophobicContact CG2-CG2 4.13Å; I1565-V1569 WeakPolarHBondContact O-CB 3.32Å; I1565-V1569 VanDerWaalsContact O-CG2 3.27Å; I1565-V1569 WeakPolarHBondContact O-CG2 3.49Å; I1565-V1569 PolarHBondContact O-N 3.22Å; I1565-P1602 HydrophobicContact CG1-CB 3.87Å; I1565-P1602 HydrophobicContact CG1-CG 4.1Å; I1565-L1605 HydrophobicContact CD1-CD2 4.14Å; I1565-L1605 HydrophobicContact CD1-CG 4.44Å; I1565-L1605 HydrophobicContact CG1-CD1 4.12Å; I1565-L1605 HydrophobicContact CG1-CD2 4.11Å; I1565-L1605 HydrophobicContact CG1-CG 4.07Å; I1565-L1605 HydrophobicContact CG2-CD1 4.33Å; I1565-L1605 HydrophobicContact CG2-CD2 4.09Å |
| 1566 | E | 81 | Confident | 73 | Confident | 115 Ų | 115 | 57.4 Ų | 57.4 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 178.1 | -70.6 | 171.2 | 151.8 | 0 | 0 | 112.4 | C1562 V1569 T1570 | C1562-E1566 WeakPolarHBondContact O-CG 3.39Å; C1562-E1566 PolarHBondContact O-N 3.46Å; E1566-V1569 PolarHBondContact O-N 3.17Å; E1566-T1570 WeakPolarHBondContact O-CB 3.47Å; E1566-T1570 PolarHBondContact O-N 2.75Å; E1566-T1570 PolarHBondContact O-OG1 2.74Å |
| 1567 | K | 75.1 | Confident | 71.6 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | 173.8 | -81.1 | -179.4 | 172.4 | -164.8 | 0 | 112 | T1563 K1564 I1565 T1570 M1571 | T1563-K1567 WeakPolarHBondContact O-CB 3.15Å; T1563-K1567 VanDerWaalsContact O-CG 3.26Å; T1563-K1567 WeakPolarHBondContact O-CG 3.43Å; T1563-K1567 PolarHBondContact O-N 3.49Å; K1564-K1567 PolarHBondContact O-N 3.26Å; I1565-K1567 PolarHBondContact O-N 3.37Å; K1567-T1570 PolarHBondContact O-N 2.77Å; K1567-M1571 WeakPolarHBondContact O-CB 3.36Å; K1567-M1571 PolarHBondContact O-N 2.76Å |
| 1568 | F | 80.5 | Confident | 70.5 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 179.4 | -175.6 | -111.3 | 0 | 0 | 0 | 111.9 | V1546 K1564 I1565 M1571 L1572 V1601 P1602 L1605 | V1546-F1568 HydrophobicContact CG2-CD1 3.98Å; V1546-F1568 HydrophobicContact CG2-CE1 4.05Å; K1564-F1568 WeakPolarHBondContact O-CB 3.31Å; K1564-F1568 PolarHBondContact O-N 3.2Å; I1565-F1568 PolarHBondContact O-N 2.74Å; I1565-F1568 VanDerWaalsContact O-N 3.14Å; F1568-M1571 HydrophobicContact CD2-CE 3.77Å; F1568-M1571 HydrophobicContact CD2-SD 4.47Å; F1568-M1571 HydrophobicContact CE2-CE 4.06Å; F1568-M1571 PolarHBondContact O-N 3.42Å; F1568-L1572 HydrophobicContact CD1-CD1 3.92Å; F1568-L1572 HydrophobicContact CE1-CD1 3.45Å; F1568-L1572 VanDerWaalsContact CE1-CD1 3.45Å; F1568-L1572 HydrophobicContact CE1-CG 4.37Å; F1568-L1572 HydrophobicContact CE2-CD1 4.29Å; F1568-L1572 HydrophobicContact CE2-CG 4.42Å; F1568-L1572 HydrophobicContact CZ-CD1 3.67Å; F1568-L1572 HydrophobicContact CZ-CG 4.25Å; F1568-L1572 WeakPolarHBondContact O-CG 3.41Å; F1568-L1572 PolarHBondContact O-N 3.23Å; F1568-V1601 HydrophobicContact CE1-CG1 4.27Å; F1568-V1601 HydrophobicContact CE2-CB 4.4Å; F1568-V1601 HydrophobicContact CE2-CG1 4.05Å; F1568-V1601 HydrophobicContact CE2-CG2 3.95Å; F1568-V1601 HydrophobicContact CZ-CG1 3.82Å; F1568-V1601 HydrophobicContact CZ-CG2 4.4Å; F1568-P1602 HydrophobicContact CB-CG 3.81Å; F1568-P1602 HydrophobicContact CD1-CG 4.3Å; F1568-P1602 HydrophobicContact CG-CG 4.13Å; F1568-L1605 HydrophobicContact CD1-CD1 3.58Å; F1568-L1605 HydrophobicContact CE1-CD1 4.01Å |
| 1569 | V | 83.8 | Confident | 69.5 | Low | 16 Ų | 16 | 66.7 Ų | 66.7 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 172.4 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | V1546 I1565 E1566 M1571 L1572 E1573 | V1546-V1569 HydrophobicContact CG1-CB 4.37Å; V1546-V1569 HydrophobicContact CG1-CG1 4.31Å; V1546-V1569 HydrophobicContact CG1-CG2 3.96Å; V1546-V1569 HydrophobicContact CG2-CG2 3.77Å; I1565-V1569 HydrophobicContact CG2-CG2 4.13Å; I1565-V1569 WeakPolarHBondContact O-CB 3.32Å; I1565-V1569 VanDerWaalsContact O-CG2 3.27Å; I1565-V1569 WeakPolarHBondContact O-CG2 3.49Å; I1565-V1569 PolarHBondContact O-N 3.22Å; E1566-V1569 PolarHBondContact O-N 3.17Å; V1569-M1571 VanDerWaalsContact C-N 3.33Å; V1569-M1571 PolarHBondContact O-N 3.39Å; V1569-L1572 PolarHBondContact O-N 2.97Å; V1569-E1573 HydrophobicContact CG1-CG 4.42Å; V1569-E1573 WeakPolarHBondContact O-CB 3.4Å; V1569-E1573 WeakPolarHBondContact O-CG 3.35Å; V1569-E1573 PolarHBondContact O-N 2.54Å |
| 1570 | T | 81.3 | Confident | 69 | Low | 83 Ų | 83 | 67.8 Ų | 67.8 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 178.7 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | E1566 K1567 E1573 T1574 | E1566-T1570 WeakPolarHBondContact O-CB 3.47Å; E1566-T1570 PolarHBondContact O-N 2.75Å; E1566-T1570 PolarHBondContact O-OG1 2.74Å; K1567-T1570 PolarHBondContact O-N 2.77Å; T1570-E1573 PolarHBondContact O-N 2.85Å; T1570-T1574 PolarHBondContact O-N 3.41Å; T1570-T1574 PolarHBondContact O-OG1 3.29Å |
| 1571 | M | 78.4 | Confident | 68.4 | Low | 33 Ų | 33 | 65.4 Ų | 65.4 | 16% | 0.163 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.2 | 174.7 | -106.4 | -87.6 | 0 | 0 | 111.5 | K1567 F1568 V1569 E1573 T1574 L1575 L1585 V1599 | K1567-M1571 WeakPolarHBondContact O-CB 3.36Å; K1567-M1571 PolarHBondContact O-N 2.76Å; F1568-M1571 HydrophobicContact CD2-CE 3.77Å; F1568-M1571 HydrophobicContact CD2-SD 4.47Å; F1568-M1571 HydrophobicContact CE2-CE 4.06Å; F1568-M1571 PolarHBondContact O-N 3.42Å; V1569-M1571 VanDerWaalsContact C-N 3.33Å; V1569-M1571 PolarHBondContact O-N 3.39Å; M1571-E1573 PolarHBondContact O-N 2.74Å; M1571-T1574 WeakPolarHBondContact CA-OG1 3.36Å; M1571-T1574 PolarHBondContact O-N 2.97Å; M1571-T1574 PolarHBondContact O-OG1 2.96Å; M1571-L1575 HydrophobicContact CG-CD1 3.88Å; M1571-L1575 WeakPolarHBondContact O-CG 3.35Å; M1571-L1575 PolarHBondContact O-N 2.69Å; M1571-L1575 HydrophobicContact SD-CD1 3.65Å; M1571-L1585 HydrophobicContact CE-CD1 4.16Å; M1571-L1585 HydrophobicContact SD-CD1 4.05Å; M1571-V1599 HydrophobicContact CE-CB 3.84Å; M1571-V1599 HydrophobicContact CE-CG1 3.82Å; M1571-V1599 HydrophobicContact CE-CG2 4.46Å |
| 1572 | L | 76.4 | Confident | 67.3 | Low | 22 Ų | 22 | 68.4 Ų | 68.4 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67 | -33.9 | 175.5 | -69.9 | 178 | 0 | 0 | 0 | 113.5 | V1546 F1568 V1569 T1574 F1581 | V1546-L1572 HydrophobicContact CB-CD1 3.66Å; V1546-L1572 HydrophobicContact CG1-CB 4.23Å; V1546-L1572 HydrophobicContact CG1-CD1 3.71Å; V1546-L1572 HydrophobicContact CG2-CD1 3.93Å; F1568-L1572 HydrophobicContact CD1-CD1 3.92Å; F1568-L1572 HydrophobicContact CE1-CD1 3.45Å; F1568-L1572 VanDerWaalsContact CE1-CD1 3.45Å; F1568-L1572 HydrophobicContact CE1-CG 4.37Å; F1568-L1572 HydrophobicContact CE2-CD1 4.29Å; F1568-L1572 HydrophobicContact CE2-CG 4.42Å; F1568-L1572 HydrophobicContact CZ-CD1 3.67Å; F1568-L1572 HydrophobicContact CZ-CG 4.25Å; F1568-L1572 WeakPolarHBondContact O-CG 3.41Å; F1568-L1572 PolarHBondContact O-N 3.23Å; V1569-L1572 PolarHBondContact O-N 2.97Å; L1572-T1574 VanDerWaalsContact C-N 3.33Å; L1572-F1581 HydrophobicContact CD2-CE1 3.46Å; L1572-F1581 VanDerWaalsContact CD2-CE1 3.46Å; L1572-F1581 HydrophobicContact CD2-CZ 3.76Å |
| 1573 | E | 77.6 | Confident | 65.8 | Low | 116 Ų | 116 | 71 Ų | 71 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.3 | -23.2 | 174.6 | -72.3 | -172.4 | 157.1 | 0 | 0 | 112.3 | K1549 V1569 T1570 M1571 | K1549-E1573 IonicContact NZ-OE1 3.18Å; K1549-E1573 PolarHBondContact NZ-OE1 2.89Å; V1569-E1573 HydrophobicContact CG1-CG 4.42Å; V1569-E1573 WeakPolarHBondContact O-CB 3.4Å; V1569-E1573 WeakPolarHBondContact O-CG 3.35Å; V1569-E1573 PolarHBondContact O-N 2.54Å; T1570-E1573 PolarHBondContact O-N 2.85Å; M1571-E1573 PolarHBondContact O-N 2.74Å |
| 1574 | T | 72.7 | Confident | 64.3 | Low | 101 Ų | 101 | 71.9 Ų | 71.9 | 62% | 0.62 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -84.7 | -31.1 | 173.3 | 40 | 0 | 0 | 0 | 0 | 114 | T1570 M1571 L1572 Q1576 | T1570-T1574 PolarHBondContact O-N 3.41Å; T1570-T1574 PolarHBondContact O-OG1 3.29Å; M1571-T1574 WeakPolarHBondContact CA-OG1 3.36Å; M1571-T1574 PolarHBondContact O-N 2.97Å; M1571-T1574 PolarHBondContact O-OG1 2.96Å; L1572-T1574 VanDerWaalsContact C-N 3.33Å; T1574-Q1576 VanDerWaalsContact C-N 3.26Å; T1574-Q1576 PolarHBondContact O-N 3.45Å |
| 1575 | L | 66 | Low | 62.7 | Low | 70 Ų | 70 | 71.7 Ų | 71.7 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 10.7 | -178.9 | -73.1 | 171.1 | 0 | 0 | 0 | 115.8 | M1571 Q1577 L1585 | M1571-L1575 HydrophobicContact CG-CD1 3.88Å; M1571-L1575 WeakPolarHBondContact O-CG 3.35Å; M1571-L1575 PolarHBondContact O-N 2.69Å; M1571-L1575 HydrophobicContact SD-CD1 3.65Å; L1575-Q1577 PolarHBondContact O-N 2.86Å; L1575-L1585 HydrophobicContact CD1-CD1 4.46Å |
| 1576 | Q | 54.3 | Low | 60.7 | Low | 166 Ų | 166 | 76.9 Ų | 76.9 | 78% | 0.776 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 56.1 | 171.4 | -64.2 | -161.4 | -2.9 | 0 | 0 | 117.6 | T1574 D1578 | T1574-Q1576 VanDerWaalsContact C-N 3.26Å; T1574-Q1576 PolarHBondContact O-N 3.45Å; Q1576-D1578 PolarHBondContact O-N 2.82Å |
| 1577 | Q | 50.7 | Low | 58.4 | Low | 149 Ų | 149 | 74.5 Ų | 74.5 | 70% | 0.696 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -28.1 | 158.7 | -63.3 | -165.8 | -3.8 | 0 | 0 | 121.1 | L1575 | L1575-Q1577 PolarHBondContact O-N 2.86Š|
| 1578 | D | 48.4 | Very low | 56.4 | Low | 118 Ų | 118 | 72.5 Ų | 72.5 | 63% | 0.631 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -3.7 | -172.7 | -89.4 | -43.2 | 0 | 0 | 0 | 114.9 | Q1576 N1580 K1641 | Q1576-D1578 PolarHBondContact O-N 2.82Å; D1578-N1580 PolarHBondContact O-N 2.94Å; D1578-K1641 IonicContact OD1-NZ 3.14Å; D1578-K1641 PolarHBondContact OD1-NZ 3.49Å |
| 1579 | A | 44.5 | Very low | 54 | Low | 18 Ų | 18 | 79.7 Ų | 79.7 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | trans | -52.3 | 120.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1581 E1584 | A1579-F1581 WeakPolarHBondContact O-CD2 3.44Å; A1579-F1581 PolarHBondContact O-N 3.17Å; A1579-F1581 VanDerWaalsContact O-N 3.08Å; A1579-E1584 VanDerWaalsContact CA-OE2 3.25Å; A1579-E1584 WeakPolarHBondContact CA-OE2 3.48Å | ||
| 1580 | N | 48.2 | Very low | 51.6 | Low | 46 Ų | 46 | 87.7 Ų | 87.7 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | trans | -81.8 | 95.5 | -179.9 | -166.5 | 8.7 | 0 | 0 | 0 | 108.4 | D1578 D1582 S1583 E1584 | D1578-N1580 PolarHBondContact O-N 2.94Å; N1580-D1582 VanDerWaalsContact C-N 3.3Å; N1580-D1582 PolarHBondContact O-N 3.09Å; N1580-S1583 WeakPolarHBondContact O-CA 3.5Å; N1580-S1583 WeakPolarHBondContact O-CB 3.3Å; N1580-S1583 PolarHBondContact O-N 2.97Å; N1580-E1584 PolarHBondContact N-OE2 3.5Å; N1580-E1584 PolarHBondContact O-N 3.19Å | ||
| 1581 | F | 51.6 | Low | 49.2 | Very low | 28 Ų | 28 | 93 Ų | 93 | 12% | 0.123 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -52.3 | -33 | -156.7 | -75.2 | -72.3 | 0 | 0 | 0 | 117 | I1540 L1572 A1579 S1583 L1585 | I1540-F1581 HydrophobicContact CD1-CB 3.88Å; I1540-F1581 HydrophobicContact CD1-CD2 4.14Å; I1540-F1581 HydrophobicContact CD1-CG 4.32Å; L1572-F1581 HydrophobicContact CD2-CE1 3.46Å; L1572-F1581 VanDerWaalsContact CD2-CE1 3.46Å; L1572-F1581 HydrophobicContact CD2-CZ 3.76Å; A1579-F1581 WeakPolarHBondContact O-CD2 3.44Å; A1579-F1581 PolarHBondContact O-N 3.17Å; A1579-F1581 VanDerWaalsContact O-N 3.08Å; F1581-S1583 VanDerWaalsContact C-N 3.34Å; F1581-L1585 HydrophobicContact CD1-CD1 4.47Å; F1581-L1585 WeakPolarHBondContact O-CB 3.36Å; F1581-L1585 PolarHBondContact O-N 3.39Å |
| 1582 | D | 46.8 | Very low | 47 | Very low | 64 Ų | 64 | 97.7 Ų | 97.7 | 34% | 0.342 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.7 | -19.1 | 176.5 | -85.9 | -44 | 0 | 0 | 0 | 114.2 | S1534 N1580 P1647 | S1534-D1582 WeakPolarHBondContact CB-OD2 3.38Å; N1580-D1582 VanDerWaalsContact C-N 3.3Å; N1580-D1582 PolarHBondContact O-N 3.09Å; D1582-P1647 HydrophobicContact CB-CB 3.67Å; D1582-P1647 HydrophobicContact CB-CG 4.4Å; D1582-P1647 WeakPolarHBondContact OD2-CG 3.43Å |
| 1583 | S | 42.2 | Very low | 45.1 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -92.5 | -41.8 | 177.5 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | N1580 F1581 | N1580-S1583 WeakPolarHBondContact O-CA 3.5Å; N1580-S1583 WeakPolarHBondContact O-CB 3.3Å; N1580-S1583 PolarHBondContact O-N 2.97Å; F1581-S1583 VanDerWaalsContact C-N 3.34Å |
| 1584 | E | 38.6 | Very low | 43.1 | Very low | 81 Ų | 81 | 108.7 Ų | 108.7 | 38% | 0.379 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -108 | -13.8 | -166.5 | -73.2 | 164.3 | 134 | 0 | 0 | 115 | A1579 N1580 Y1586 L1587 | A1579-E1584 VanDerWaalsContact CA-OE2 3.25Å; A1579-E1584 WeakPolarHBondContact CA-OE2 3.48Å; N1580-E1584 PolarHBondContact N-OE2 3.5Å; N1580-E1584 PolarHBondContact O-N 3.19Å; E1584-Y1586 PolarHBondContact O-N 2.85Å; E1584-L1587 HydrophobicContact CB-CD1 4.04Å; E1584-L1587 HydrophobicContact CB-CG 4.06Å; E1584-L1587 HydrophobicContact CG-CD1 4.46Å; E1584-L1587 HydrophobicContact CG-CG 4.31Å; E1584-L1587 WeakPolarHBondContact O-CB 3.38Å; E1584-L1587 WeakPolarHBondContact O-CD1 3.43Å; E1584-L1587 WeakPolarHBondContact O-CG 3.29Å; E1584-L1587 PolarHBondContact O-N 2.92Å; E1584-L1587 VanDerWaalsContact O-N 3.08Å |
| 1585 | L | 38.9 | Very low | 41.1 | Very low | 49 Ų | 49 | 107.1 Ų | 107.1 | 26% | 0.257 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 15.5 | 166.7 | -136.9 | 75.6 | 0 | 0 | 0 | 113.2 | T1539 M1571 L1575 F1581 V1601 | T1539-L1585 HydrophobicContact CG2-CD2 4.27Å; M1571-L1585 HydrophobicContact CE-CD1 4.16Å; M1571-L1585 HydrophobicContact SD-CD1 4.05Å; L1575-L1585 HydrophobicContact CD1-CD1 4.46Å; F1581-L1585 HydrophobicContact CD1-CD1 4.47Å; F1581-L1585 WeakPolarHBondContact O-CB 3.36Å; F1581-L1585 PolarHBondContact O-N 3.39Å; L1585-V1601 HydrophobicContact CD2-CG2 4.28Å |
| 1586 | Y | 38.1 | Very low | 39.4 | Very low | 121 Ų | 121 | 110 Ų | 110 | 48% | 0.475 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -133.4 | 47.3 | 161.8 | -66.6 | -92.2 | 0 | 0 | 0 | 109.7 | E1584 L1588 K1704 | E1584-Y1586 PolarHBondContact O-N 2.85Å; Y1586-L1588 PolarHBondContact O-N 3.08Å; Y1586-K1704 VanDerWaalsContact CE2-NZ 3.31Å |
| 1587 | L | 32.6 | Very low | 38.6 | Very low | 66 Ų | 66 | 107 Ų | 107 | 35% | 0.346 | 54% | 0.537 | S | S | . | . | trans | -64.7 | 61.9 | 171.6 | -92.3 | 165.8 | 0 | 0 | 0 | 112.2 | E1584 E1589 | E1584-L1587 HydrophobicContact CB-CD1 4.04Å; E1584-L1587 HydrophobicContact CB-CG 4.06Å; E1584-L1587 HydrophobicContact CG-CD1 4.46Å; E1584-L1587 HydrophobicContact CG-CG 4.31Å; E1584-L1587 WeakPolarHBondContact O-CB 3.38Å; E1584-L1587 WeakPolarHBondContact O-CD1 3.43Å; E1584-L1587 WeakPolarHBondContact O-CG 3.29Å; E1584-L1587 PolarHBondContact O-N 2.92Å; E1584-L1587 VanDerWaalsContact O-N 3.08Å; L1587-E1589 HydrophobicContact CD2-CG 3.68Å; L1587-E1589 PolarHBondContact O-N 2.65Å | ||
| 1588 | L | 32.5 | Very low | 38.2 | Very low | 86 Ų | 86 | 106.7 Ų | 106.7 | 45% | 0.45 | 54% | 0.54 | S | S | . | . | trans | -71.7 | 70.4 | 160.5 | -84.1 | 152.8 | 0 | 0 | 0 | 107.8 | Y1586 | Y1586-L1588 PolarHBondContact O-N 3.08Š| ||
| 1589 | E | 29.8 | Very low | 38.2 | Very low | 154 Ų | 154 | 104.6 Ų | 104.6 | 72% | 0.72 | 53% | 0.531 | S | S | * | . | trans | -70.1 | 164.9 | 164.1 | -67 | -165.9 | 147.9 | 0 | 0 | 110 | L1587 | L1587-E1589 HydrophobicContact CD2-CG 3.68Å; L1587-E1589 PolarHBondContact O-N 2.65Å | ||
| 1590 | E | 34.3 | Very low | 38.8 | Very low | 183 Ų | 183 | 108 Ų | 108 | 86% | 0.855 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -76.6 | 143.2 | -148.9 | -60.6 | 174.9 | 141.5 | 0 | 0 | 113.5 | ||
| 1591 | E | 31.5 | Very low | 39.8 | Very low | 196 Ų | 196 | 106.9 Ų | 106.9 | 92% | 0.916 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 102 | -21.2 | 160.2 | -49.6 | -159.5 | 136.9 | 0 | 0 | 121.9 | ||
| 1592 | D | 32.2 | Very low | 41.1 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | trans | -109.4 | 102.6 | 179 | -97.4 | -39.5 | 0 | 0 | 0 | 114.4 | E1594 A1595 | D1592-E1594 PolarHBondContact O-N 2.84Å; D1592-A1595 HydrophobicContact CB-CB 4.18Å | ||
| 1593 | E | 36.5 | Very low | 42.9 | Very low | 194 Ų | 194 | 109.1 Ų | 109.1 | 91% | 0.907 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -78.7 | -7 | -174.1 | -70.1 | -151.7 | 120.1 | 0 | 0 | 116.6 | ||
| 1594 | E | 34.3 | Very low | 45 | Very low | 175 Ų | 175 | 105.4 Ų | 105.4 | 82% | 0.818 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -123 | -1.9 | -175.7 | -68.4 | -153.4 | 122.4 | 0 | 0 | 116.3 | D1592 | D1592-E1594 PolarHBondContact O-N 2.84Š|
| 1595 | A | 32.1 | Very low | 47.5 | Very low | 68 Ų | 68 | 101.5 Ų | 101.5 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | trans | -109.7 | 2.1 | -154.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | D1592 | D1592-A1595 HydrophobicContact CB-CB 4.18Š| ||
| 1596 | E | 30.1 | Very low | 50 | Low | 130 Ų | 130 | 99.2 Ų | 99.2 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | trans | -98.8 | 127.9 | -178.7 | -61 | -158.7 | 107.7 | 0 | 0 | 113.9 | ||||
| 1597 | E | 36.7 | Very low | 52.6 | Low | 104 Ų | 104 | 94.2 Ų | 94.2 | 49% | 0.486 | 47% | 0.471 | S | S | . | . | trans | -84.7 | 109.7 | 165.4 | -75.8 | -146.6 | 109.3 | 0 | 0 | 110.3 | L333 K337 V1599 | L333-E1597 HydrophobicContact CD2-CG 4.01Å; L333-E1597 WeakPolarHBondContact CD2-OE1 3.36Å; K337-E1597 WeakPolarHBondContact CE-OE1 3.5Å; K337-E1597 IonicContact NZ-OE1 3.62Å; K337-E1597 PolarHBondContact NZ-OE1 3.48Å; E1597-V1599 PolarHBondContact O-N 2.92Å | ||
| 1598 | D | 41.6 | Very low | 55.5 | Low | 142 Ų | 142 | 91.1 Ų | 91.1 | 76% | 0.759 | 45% | 0.454 | S | S | * | . | trans | -43.7 | 106.4 | 159.9 | -91.4 | -35.8 | 0 | 0 | 0 | 109.6 | E1600 | D1598-E1600 PolarHBondContact O-N 3.41Š| ||
| 1599 | V | 48.3 | Very low | 58.5 | Low | 74 Ų | 74 | 87 Ų | 87 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | trans | -75.9 | 79.3 | 176.1 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | M1571 E1597 V1601 | M1571-V1599 HydrophobicContact CE-CB 3.84Å; M1571-V1599 HydrophobicContact CE-CG1 3.82Å; M1571-V1599 HydrophobicContact CE-CG2 4.46Å; E1597-V1599 PolarHBondContact O-N 2.92Å; V1599-V1601 PolarHBondContact O-N 3.1Å | ||
| 1600 | E | 57.2 | Low | 61.7 | Low | 89 Ų | 89 | 80.4 Ų | 80.4 | 42% | 0.416 | 40% | 0.402 | S | S | . | . | trans | -54.6 | 107.8 | -174 | -177.7 | -175.2 | -133.7 | 0 | 0 | 111.2 | K1564 D1598 R1693 | K1564-E1600 PolarHBondContact NZ-O 3.24Å; K1564-E1600 IonicContact NZ-OE2 3.58Å; K1564-E1600 PolarHBondContact NZ-OE2 3.22Å; D1598-E1600 PolarHBondContact O-N 3.41Å; E1600-R1693 IonicContact OE1-NH1 3.51Å; E1600-R1693 PolarHBondContact OE1-NH1 3.45Å | ||
| 1601 | V | 70 | Confident | 64.7 | Low | 23 Ų | 23 | 71.7 Ų | 71.7 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | trans | -45.7 | 128.5 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | T1539 S1542 F1568 L1585 V1599 K1603 | T1539-V1601 HydrophobicContact CG2-CG2 4.24Å; S1542-V1601 WeakPolarHBondContact OG-CG1 3.39Å; F1568-V1601 HydrophobicContact CE1-CG1 4.27Å; F1568-V1601 HydrophobicContact CE2-CB 4.4Å; F1568-V1601 HydrophobicContact CE2-CG1 4.05Å; F1568-V1601 HydrophobicContact CE2-CG2 3.95Å; F1568-V1601 HydrophobicContact CZ-CG1 3.82Å; F1568-V1601 HydrophobicContact CZ-CG2 4.4Å; L1585-V1601 HydrophobicContact CD2-CG2 4.28Å; V1599-V1601 PolarHBondContact O-N 3.1Å; V1601-K1603 PolarHBondContact O-N 2.91Å | ||
| 1602 | P | 79.2 | Confident | 67.7 | Low | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | trans | -72.9 | 92.7 | 178.7 | -3.5 | 19 | 0 | 0 | 0 | 109.1 | L1561 K1564 I1565 F1568 V1604 L1605 | L1561-P1602 HydrophobicContact CD1-CB 4.28Å; K1564-P1602 HydrophobicContact CB-CB 4.36Å; K1564-P1602 HydrophobicContact CB-CG 4.22Å; I1565-P1602 HydrophobicContact CG1-CB 3.87Å; I1565-P1602 HydrophobicContact CG1-CG 4.1Å; F1568-P1602 HydrophobicContact CB-CG 3.81Å; F1568-P1602 HydrophobicContact CD1-CG 4.3Å; F1568-P1602 HydrophobicContact CG-CG 4.13Å; P1602-V1604 PolarHBondContact O-N 2.93Å; P1602-L1605 HydrophobicContact CB-CD1 4.2Å; P1602-L1605 HydrophobicContact CB-CG 4.41Å; P1602-L1605 HydrophobicContact CG-CD1 3.92Å; P1602-L1605 WeakPolarHBondContact O-CB 3.46Å; P1602-L1605 PolarHBondContact O-N 3Å | ||
| 1603 | K | 83.2 | Confident | 70.8 | Confident | 135 Ų | 135 | 56.1 Ų | 56.1 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38 | -45.8 | -176.7 | -79.2 | -165.8 | 167.2 | -152.8 | 0 | 114.2 | N1538 V1601 L1605 G1606 D1607 | N1538-K1603 PolarHBondContact ND2-O 3.41Å; N1538-K1603 VanDerWaalsContact OD1-CA 3.29Å; N1538-K1603 WeakPolarHBondContact OD1-CA 3.5Å; N1538-K1603 PolarHBondContact OD1-O 3.22Å; V1601-K1603 PolarHBondContact O-N 2.91Å; K1603-L1605 PolarHBondContact O-N 3.01Å; K1603-G1606 WeakPolarHBondContact O-CA 3.41Å; K1603-G1606 PolarHBondContact O-N 3.45Å; K1603-D1607 VanDerWaalsContact C-CG 3.42Å; K1603-D1607 PolarHBondContact O-N 2.83Å |
| 1604 | V | 88 | Confident | 73.5 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -50.1 | -21.6 | -179.7 | -158.8 | 0 | 0 | 0 | 0 | 114.3 | F1554 L1561 P1602 D1607 I1608 | F1554-V1604 HydrophobicContact CE1-CG1 4.1Å; F1554-V1604 HydrophobicContact CE2-CG1 4.26Å; F1554-V1604 HydrophobicContact CZ-CG1 3.46Å; F1554-V1604 VanDerWaalsContact CZ-CG1 3.46Å; L1561-V1604 HydrophobicContact CD1-CB 4.2Å; L1561-V1604 HydrophobicContact CD1-CG2 3.77Å; L1561-V1604 HydrophobicContact CD2-CB 4.32Å; L1561-V1604 HydrophobicContact CD2-CG1 4.29Å; L1561-V1604 HydrophobicContact CD2-CG2 3.93Å; P1602-V1604 PolarHBondContact O-N 2.93Å; V1604-D1607 WeakPolarHBondContact CA-OD2 3.21Å; V1604-D1607 PolarHBondContact N-OD2 2.63Å; V1604-I1608 WeakPolarHBondContact O-CG1 3.45Å; V1604-I1608 WeakPolarHBondContact O-CG2 3.3Å; V1604-I1608 PolarHBondContact O-N 3.41Å; V1604-I1608 VanDerWaalsContact O-N 3.09Å |
| 1605 | L | 90.3 | Very high | 76.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.5 | -37.5 | 171.5 | -66.4 | 173.3 | 0 | 0 | 0 | 113.4 | A1545 V1546 H1551 I1565 F1568 P1602 K1603 I1608 F1609 | A1545-L1605 HydrophobicContact CB-CB 4.38Å; A1545-L1605 WeakPolarHBondContact CB-O 3.33Å; V1546-L1605 HydrophobicContact CG2-CD1 3.97Å; H1551-L1605 HydrophobicContact CB-CD2 3.89Å; I1565-L1605 HydrophobicContact CD1-CD2 4.14Å; I1565-L1605 HydrophobicContact CD1-CG 4.44Å; I1565-L1605 HydrophobicContact CG1-CD1 4.12Å; I1565-L1605 HydrophobicContact CG1-CD2 4.11Å; I1565-L1605 HydrophobicContact CG1-CG 4.07Å; I1565-L1605 HydrophobicContact CG2-CD1 4.33Å; I1565-L1605 HydrophobicContact CG2-CD2 4.09Å; F1568-L1605 HydrophobicContact CD1-CD1 3.58Å; F1568-L1605 HydrophobicContact CE1-CD1 4.01Å; P1602-L1605 HydrophobicContact CB-CD1 4.2Å; P1602-L1605 HydrophobicContact CB-CG 4.41Å; P1602-L1605 HydrophobicContact CG-CD1 3.92Å; P1602-L1605 WeakPolarHBondContact O-CB 3.46Å; P1602-L1605 PolarHBondContact O-N 3Å; K1603-L1605 PolarHBondContact O-N 3.01Å; L1605-I1608 HydrophobicContact CD2-CD1 4.48Å; L1605-I1608 WeakPolarHBondContact O-CG1 3.24Å; L1605-F1609 PolarHBondContact O-N 3.46Å |
| 1606 | G | 90.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.9 | -42.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1542 K1603 I1608 F1609 E1610 | S1542-G1606 PolarHBondContact OG-N 2.78Å; S1542-G1606 VanDerWaalsContact OG-N 3.1Å; K1603-G1606 WeakPolarHBondContact O-CA 3.41Å; K1603-G1606 PolarHBondContact O-N 3.45Å; G1606-I1608 VanDerWaalsContact C-N 3.27Å; G1606-I1608 PolarHBondContact O-N 3.3Å; G1606-F1609 WeakPolarHBondContact O-CA 3.33Å; G1606-F1609 VanDerWaalsContact O-CB 3.25Å; G1606-F1609 WeakPolarHBondContact O-CB 3.4Å; G1606-F1609 PolarHBondContact O-N 3.22Å; G1606-E1610 PolarHBondContact O-N 3.1Å |
| 1607 | D | 93.6 | Very high | 82.3 | Confident | 17 Ų | 17 | 29.3 Ų | 29.3 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.4 | -34.4 | -178.7 | -37.7 | -18.4 | 0 | 0 | 0 | 111.8 | Y1497 E1501 N1538 K1603 V1604 S1611 | Y1497-D1607 HydrophobicContact CD2-CB 4.42Å; Y1497-D1607 HydrophobicContact CE2-CB 3.55Å; E1501-D1607 HydrophobicContact CG-CB 4.05Å; N1538-D1607 PolarHBondContact ND2-OD1 3.04Å; K1603-D1607 VanDerWaalsContact C-CG 3.42Å; K1603-D1607 PolarHBondContact O-N 2.83Å; V1604-D1607 WeakPolarHBondContact CA-OD2 3.21Å; V1604-D1607 PolarHBondContact N-OD2 2.63Å; D1607-S1611 WeakPolarHBondContact O-CB 3.42Å; D1607-S1611 PolarHBondContact O-N 3.15Å |
| 1608 | I | 94.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.7 | -24.7 | 170.8 | 67 | -178.6 | 0 | 0 | 0 | 114.3 | Y1497 F1550 F1554 V1604 L1605 G1606 E1610 S1611 V1612 | Y1497-I1608 HydrophobicContact CD2-CG2 4.21Å; Y1497-I1608 HydrophobicContact CG-CG2 4.36Å; F1550-I1608 HydrophobicContact CB-CD1 4.28Å; F1554-I1608 HydrophobicContact CB-CD1 4.15Å; F1554-I1608 HydrophobicContact CD2-CD1 3.91Å; F1554-I1608 HydrophobicContact CD2-CG2 3.8Å; F1554-I1608 HydrophobicContact CE2-CD1 4.47Å; F1554-I1608 HydrophobicContact CE2-CG2 3.53Å; F1554-I1608 HydrophobicContact CG-CD1 3.98Å; F1554-I1608 HydrophobicContact CZ-CG2 4.31Å; V1604-I1608 WeakPolarHBondContact O-CG1 3.45Å; V1604-I1608 WeakPolarHBondContact O-CG2 3.3Å; V1604-I1608 PolarHBondContact O-N 3.41Å; V1604-I1608 VanDerWaalsContact O-N 3.09Å; L1605-I1608 HydrophobicContact CD2-CD1 4.48Å; L1605-I1608 WeakPolarHBondContact O-CG1 3.24Å; G1606-I1608 VanDerWaalsContact C-N 3.27Å; G1606-I1608 PolarHBondContact O-N 3.3Å; I1608-E1610 VanDerWaalsContact C-N 3.35Å; I1608-S1611 WeakPolarHBondContact CA-OG 3.43Å; I1608-S1611 PolarHBondContact O-N 3.2Å; I1608-S1611 PolarHBondContact O-OG 3.07Å; I1608-S1611 VanDerWaalsContact O-OG 3.05Å; I1608-V1612 WeakPolarHBondContact O-CG2 3.42Å; I1608-V1612 PolarHBondContact O-N 2.96Å; I1608-V1612 VanDerWaalsContact O-N 3.09Å |
| 1609 | F | 95.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.1 | -40.8 | 174.9 | -173.5 | -96.9 | 0 | 0 | 0 | 110.3 | L1508 F1541 L1544 A1545 F1550 L1605 G1606 Y1631 I1634 M1635 | L1508-F1609 HydrophobicContact CD1-CD1 4.26Å; L1508-F1609 HydrophobicContact CD1-CE1 4.39Å; F1541-F1609 HydrophobicContact CB-CB 4.07Å; F1541-F1609 HydrophobicContact CB-CD1 3.62Å; F1541-F1609 HydrophobicContact CB-CE1 4.31Å; F1541-F1609 HydrophobicContact CB-CG 4.03Å; F1541-F1609 AromaticContact CD1-CD1 3.67Å; F1541-F1609 HydrophobicContact CD1-CD1 3.67Å; F1541-F1609 AromaticContact CD1-CE1 3.6Å; F1541-F1609 HydrophobicContact CD1-CE1 3.6Å; F1541-F1609 HydrophobicContact CD2-CD1 4.44Å; F1541-F1609 HydrophobicContact CE1-CD1 4.43Å; F1541-F1609 HydrophobicContact CE1-CE1 4.17Å; F1541-F1609 AromaticContact CG-CD1 3.67Å; F1541-F1609 HydrophobicContact CG-CD1 3.67Å; F1541-F1609 HydrophobicContact CG-CE1 4.11Å; L1544-F1609 HydrophobicContact CB-CD2 4.47Å; L1544-F1609 HydrophobicContact CB-CE2 3.82Å; L1544-F1609 HydrophobicContact CB-CZ 4.04Å; L1544-F1609 HydrophobicContact CD1-CE1 4.47Å; L1544-F1609 HydrophobicContact CD1-CZ 3.95Å; A1545-F1609 HydrophobicContact CB-CB 4.35Å; A1545-F1609 HydrophobicContact CB-CD2 4.23Å; F1550-F1609 HydrophobicContact CD2-CD2 4.31Å; F1550-F1609 AromaticContact CE2-CD2 3.79Å; F1550-F1609 HydrophobicContact CE2-CD2 3.79Å; F1550-F1609 HydrophobicContact CE2-CE2 4.47Å; F1550-F1609 HydrophobicContact CZ-CD2 4.01Å; F1550-F1609 HydrophobicContact CZ-CE2 4.25Å; L1605-F1609 PolarHBondContact O-N 3.46Å; G1606-F1609 WeakPolarHBondContact O-CA 3.33Å; G1606-F1609 VanDerWaalsContact O-CB 3.25Å; G1606-F1609 WeakPolarHBondContact O-CB 3.4Å; G1606-F1609 PolarHBondContact O-N 3.22Å; F1609-Y1631 HydrophobicContact CD1-CD1 4.49Å; F1609-Y1631 AromaticContact CD1-CE1 3.81Å; F1609-Y1631 HydrophobicContact CD1-CE1 3.81Å; F1609-Y1631 HydrophobicContact CD2-CE1 4.34Å; F1609-Y1631 AromaticContact CE1-CD1 3.75Å; F1609-Y1631 HydrophobicContact CE1-CD1 3.75Å; F1609-Y1631 AromaticContact CE1-CE1 3.49Å; F1609-Y1631 HydrophobicContact CE1-CE1 3.49Å; F1609-Y1631 VanDerWaalsContact CE1-CE1 3.49Å; F1609-Y1631 HydrophobicContact CE2-CE1 4.05Å; F1609-Y1631 HydrophobicContact CG-CE1 4.23Å; F1609-Y1631 AromaticContact CZ-CD1 3.79Å; F1609-Y1631 HydrophobicContact CZ-CD1 3.79Å; F1609-Y1631 AromaticContact CZ-CE1 3.62Å; F1609-Y1631 HydrophobicContact CZ-CE1 3.62Å; F1609-Y1631 WeakPolarHBondContact O-CE1 3.32Å; F1609-Y1631 PolarHBondContact O-OH 3.42Å; F1609-I1634 HydrophobicContact CE2-CG2 3.71Å; F1609-I1634 HydrophobicContact CZ-CG2 3.73Å; F1609-M1635 HydrophobicContact CE1-SD 4.33Å; F1609-M1635 HydrophobicContact CZ-CG 4.31Å |
| 1610 | E | 96.5 | Very high | 89.2 | Confident | 16 Ų | 16 | 16.2 Ų | 16.2 | 8% | 0.075 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64 | -48.2 | 169.1 | -67.2 | 156.2 | -170.8 | 0 | 0 | 110.7 | G1504 L1508 F1541 G1606 I1608 V1612 A1613 G1614 | G1504-E1610 WeakPolarHBondContact CA-O 3.49Å; L1508-E1610 HydrophobicContact CD1-CG 4.2Å; F1541-E1610 HydrophobicContact CD2-CG 3.95Å; F1541-E1610 WeakPolarHBondContact CD2-OE1 3.13Å; F1541-E1610 HydrophobicContact CE2-CG 4.04Å; F1541-E1610 WeakPolarHBondContact CE2-OE1 3.39Å; G1606-E1610 PolarHBondContact O-N 3.1Å; I1608-E1610 VanDerWaalsContact C-N 3.35Å; E1610-V1612 VanDerWaalsContact C-N 3.3Å; E1610-V1612 PolarHBondContact O-N 3.07Å; E1610-A1613 WeakPolarHBondContact O-CA 3.41Å; E1610-A1613 WeakPolarHBondContact O-CB 3.44Å; E1610-A1613 PolarHBondContact O-N 3.28Å; E1610-G1614 PolarHBondContact O-N 3.32Å |
| 1611 | S | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.8 | -33.6 | -177 | 85.5 | 0 | 0 | 0 | 0 | 114.3 | A1482 D1607 I1608 G1614 A1615 | A1482-S1611 WeakPolarHBondContact CA-OG 3.38Å; A1482-S1611 WeakPolarHBondContact CB-OG 3.35Å; A1482-S1611 PolarHBondContact O-OG 3.18Å; D1607-S1611 WeakPolarHBondContact O-CB 3.42Å; D1607-S1611 PolarHBondContact O-N 3.15Å; I1608-S1611 WeakPolarHBondContact CA-OG 3.43Å; I1608-S1611 PolarHBondContact O-N 3.2Å; I1608-S1611 PolarHBondContact O-OG 3.07Å; I1608-S1611 VanDerWaalsContact O-OG 3.05Å; S1611-G1614 PolarHBondContact O-N 2.85Å; S1611-A1615 PolarHBondContact O-N 2.64Å |
| 1612 | V | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -71 | -32.2 | 175 | 171 | 0 | 0 | 0 | 0 | 111.5 | F1465 L1479 A1482 L1483 F1550 I1608 E1610 A1615 I1616 Y1631 | F1465-V1612 HydrophobicContact CE1-CG1 4.2Å; F1465-V1612 HydrophobicContact CZ-CG1 4.4Å; F1465-V1612 HydrophobicContact CZ-CG2 4.46Å; L1479-V1612 HydrophobicContact CD1-CG2 4.41Å; A1482-V1612 HydrophobicContact CB-CG2 3.84Å; L1483-V1612 HydrophobicContact CD2-CG2 4.1Å; L1483-V1612 HydrophobicContact CG-CG2 4.41Å; F1550-V1612 HydrophobicContact CD2-CG2 4.42Å; F1550-V1612 HydrophobicContact CE2-CB 4.09Å; F1550-V1612 HydrophobicContact CE2-CG1 4.22Å; F1550-V1612 HydrophobicContact CE2-CG2 4.17Å; I1608-V1612 WeakPolarHBondContact O-CG2 3.42Å; I1608-V1612 PolarHBondContact O-N 2.96Å; I1608-V1612 VanDerWaalsContact O-N 3.09Å; E1610-V1612 VanDerWaalsContact C-N 3.3Å; E1610-V1612 PolarHBondContact O-N 3.07Å; V1612-A1615 WeakPolarHBondContact O-CB 3.47Å; V1612-A1615 PolarHBondContact O-N 2.81Å; V1612-I1616 HydrophobicContact CG1-CD1 4.18Å; V1612-I1616 WeakPolarHBondContact O-CG1 3.31Å; V1612-I1616 PolarHBondContact O-N 2.88Å; V1612-Y1631 WeakPolarHBondContact CB-OH 3.18Å; V1612-Y1631 WeakPolarHBondContact CG1-OH 3.37Å |
| 1613 | A | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1508 E1610 A1615 I1616 Y1617 V1627 Y1631 | L1508-A1613 HydrophobicContact CD1-CB 3.92Å; L1508-A1613 HydrophobicContact CD2-CB 3.8Å; L1508-A1613 HydrophobicContact CG-CB 3.79Å; E1610-A1613 WeakPolarHBondContact O-CA 3.41Å; E1610-A1613 WeakPolarHBondContact O-CB 3.44Å; E1610-A1613 PolarHBondContact O-N 3.28Å; A1613-A1615 VanDerWaalsContact C-N 3.31Å; A1613-A1615 PolarHBondContact O-N 2.65Å; A1613-I1616 PolarHBondContact O-N 2.89Å; A1613-Y1617 WeakPolarHBondContact O-CB 3.1Å; A1613-Y1617 PolarHBondContact O-N 3.48Å; A1613-V1627 HydrophobicContact CB-CG1 3.91Å; A1613-Y1631 HydrophobicContact CB-CD1 4.48Å; A1613-Y1631 HydrophobicContact CB-CE1 3.94Å; A1613-Y1631 HydrophobicContact CB-CE2 4.04Å; A1613-Y1631 PolarHBondContact N-OH 2.95Å; A1613-Y1631 VanDerWaalsContact N-OH 3.11Å |
| 1614 | G | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.7 | -37.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1610 S1611 L1618 | E1610-G1614 PolarHBondContact O-N 3.32Å; S1611-G1614 PolarHBondContact O-N 2.85Å; G1614-L1618 WeakPolarHBondContact O-CG 3.48Å; G1614-L1618 PolarHBondContact O-N 3.36Å |
| 1615 | A | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.3 | -47 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | F1473 A1482 L1500 S1611 V1612 A1613 Y1617 L1618 D1619 | F1473-A1615 HydrophobicContact CE1-CB 3.92Å; F1473-A1615 HydrophobicContact CZ-CB 4.21Å; A1482-A1615 HydrophobicContact CB-CB 3.92Å; L1500-A1615 HydrophobicContact CD1-CB 4.23Å; S1611-A1615 PolarHBondContact O-N 2.64Å; V1612-A1615 WeakPolarHBondContact O-CB 3.47Å; V1612-A1615 PolarHBondContact O-N 2.81Å; A1613-A1615 VanDerWaalsContact C-N 3.31Å; A1613-A1615 PolarHBondContact O-N 2.65Å; A1615-Y1617 VanDerWaalsContact C-N 3.32Å; A1615-L1618 PolarHBondContact O-N 2.88Å; A1615-D1619 WeakPolarHBondContact O-CB 3.2Å; A1615-D1619 PolarHBondContact O-N 3.08Å |
| 1616 | I | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 178 | -65.2 | 166.8 | 0 | 0 | 0 | 110.5 | I1469 Y1471 F1473 V1612 A1613 L1618 D1619 S1620 V1627 V1630 Y1631 | I1469-I1616 HydrophobicContact CD1-CD1 4.21Å; Y1471-I1616 HydrophobicContact CD1-CG1 4.02Å; Y1471-I1616 HydrophobicContact CD1-CG2 4.5Å; Y1471-I1616 HydrophobicContact CD2-CG2 4.2Å; Y1471-I1616 HydrophobicContact CE1-CG1 4.26Å; Y1471-I1616 HydrophobicContact CE1-CG2 4.34Å; Y1471-I1616 HydrophobicContact CE2-CG2 4.01Å; Y1471-I1616 HydrophobicContact CG-CG1 4.4Å; Y1471-I1616 HydrophobicContact CG-CG2 4.45Å; F1473-I1616 HydrophobicContact CE1-CG1 4.17Å; F1473-I1616 HydrophobicContact CE2-CG1 4.48Å; F1473-I1616 HydrophobicContact CZ-CG1 3.67Å; V1612-I1616 HydrophobicContact CG1-CD1 4.18Å; V1612-I1616 WeakPolarHBondContact O-CG1 3.31Å; V1612-I1616 PolarHBondContact O-N 2.88Å; A1613-I1616 PolarHBondContact O-N 2.89Å; I1616-L1618 VanDerWaalsContact C-N 3.35Å; I1616-L1618 PolarHBondContact O-N 3.02Å; I1616-D1619 PolarHBondContact O-N 2.84Å; I1616-S1620 VanDerWaalsContact O-CB 3.25Å; I1616-S1620 WeakPolarHBondContact O-CB 3.42Å; I1616-S1620 PolarHBondContact O-N 2.79Å; I1616-S1620 PolarHBondContact O-OG 3.08Å; I1616-V1627 HydrophobicContact CB-CG2 4.48Å; I1616-V1627 HydrophobicContact CG2-CG2 4.16Å; I1616-V1630 HydrophobicContact CD1-CB 4.29Å; I1616-V1630 HydrophobicContact CD1-CG1 3.97Å; I1616-V1630 HydrophobicContact CD1-CG2 4.33Å; I1616-Y1631 HydrophobicContact CD1-CE2 3.97Å |
| 1617 | Y | 92.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.7 | -46 | 175.5 | 179.4 | -101.4 | 0 | 0 | 0 | 111.7 | Y1269 V1273 L1503 V1507 A1613 A1615 S1620 C1622 L1624 V1627 | Y1269-Y1617 HydrophobicContact CE2-CE2 4.03Å; Y1269-Y1617 AromaticContact CE2-CZ 3.9Å; Y1269-Y1617 PolarHBondContact OH-OH 3.23Å; V1273-Y1617 HydrophobicContact CG2-CE1 4.25Å; L1503-Y1617 HydrophobicContact CD1-CD1 4.41Å; L1503-Y1617 HydrophobicContact CD1-CE1 4.32Å; L1503-Y1617 HydrophobicContact CD2-CD1 4.03Å; L1503-Y1617 HydrophobicContact CG-CD1 4.34Å; V1507-Y1617 HydrophobicContact CG1-CD2 4.45Å; V1507-Y1617 HydrophobicContact CG2-CD2 4.14Å; V1507-Y1617 HydrophobicContact CG2-CE2 4.34Å; V1507-Y1617 HydrophobicContact CG2-CG 4.21Å; A1613-Y1617 WeakPolarHBondContact O-CB 3.1Å; A1613-Y1617 PolarHBondContact O-N 3.48Å; A1615-Y1617 VanDerWaalsContact C-N 3.32Å; Y1617-S1620 PolarHBondContact O-OG 3Å; Y1617-C1622 HydrophobicContact CE1-CB 3.86Å; Y1617-C1622 VanDerWaalsContact CE2-C 3.49Å; Y1617-C1622 HydrophobicContact CE2-CB 4.08Å; Y1617-C1622 VanDerWaalsContact CE2-O 3.25Å; Y1617-C1622 WeakPolarHBondContact CE2-O 3.28Å; Y1617-C1622 WeakPolarHBondContact O-CA 3.42Å; Y1617-C1622 PolarHBondContact O-N 2.95Å; Y1617-L1624 HydrophobicContact CD2-CD2 4.04Å; Y1617-L1624 HydrophobicContact CE2-CD2 3.74Å; Y1617-L1624 HydrophobicContact CE2-CG 4.09Å; Y1617-V1627 HydrophobicContact CD2-CG2 4.21Å; Y1617-V1627 HydrophobicContact CG-CG2 4.48Å |
| 1618 | L | 91 | Very high | 91.6 | Very high | 14 Ų | 14 | 12.8 Ų | 12.8 | 7% | 0.073 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -73.2 | -40.1 | 178.8 | -65.4 | 175.8 | 0 | 0 | 0 | 113.3 | F1276 V1438 Y1478 L1500 L1503 G1614 A1615 I1616 S1620 G1621 | F1276-L1618 HydrophobicContact CE1-CD1 3.77Å; F1276-L1618 HydrophobicContact CE1-CD2 4.03Å; F1276-L1618 HydrophobicContact CZ-CD1 3.68Å; V1438-L1618 HydrophobicContact CB-CD2 4.34Å; V1438-L1618 HydrophobicContact CG2-CD2 3.84Å; Y1478-L1618 HydrophobicContact CD1-CB 4.08Å; Y1478-L1618 HydrophobicContact CD1-CD1 4.15Å; Y1478-L1618 HydrophobicContact CE1-CB 3.61Å; Y1478-L1618 HydrophobicContact CE1-CD1 3.71Å; Y1478-L1618 HydrophobicContact CE1-CG 4.31Å; Y1478-L1618 HydrophobicContact CE2-CB 4.17Å; L1500-L1618 HydrophobicContact CD2-CD1 3.5Å; L1503-L1618 HydrophobicContact CD2-CD1 3.89Å; L1503-L1618 HydrophobicContact CD2-CD2 3.9Å; L1503-L1618 HydrophobicContact CD2-CG 3.8Å; G1614-L1618 WeakPolarHBondContact O-CG 3.48Å; G1614-L1618 PolarHBondContact O-N 3.36Å; A1615-L1618 PolarHBondContact O-N 2.88Å; I1616-L1618 VanDerWaalsContact C-N 3.35Å; I1616-L1618 PolarHBondContact O-N 3.02Å; L1618-S1620 VanDerWaalsContact C-N 3.34Å; L1618-S1620 PolarHBondContact O-N 3.03Å; L1618-G1621 PolarHBondContact O-N 3.15Å |
| 1619 | D | 90.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 15.2 Ų | 15.2 | 6% | 0.059 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.2 | -34.1 | 180 | -167.9 | 78 | 0 | 0 | 0 | 112.8 | Y1471 F1473 Q1474 N1475 Y1478 A1615 I1616 G1621 | Y1471-D1619 HydrophobicContact CE1-CB 4.42Å; Y1471-D1619 WeakPolarHBondContact CE1-OD2 3.04Å; Y1471-D1619 PolarHBondContact OH-OD2 3.46Å; F1473-D1619 WeakPolarHBondContact CA-OD2 3.47Å; F1473-D1619 HydrophobicContact CD1-CB 3.73Å; F1473-D1619 HydrophobicContact CE1-CB 4.07Å; Q1474-D1619 PolarHBondContact N-OD1 3.12Å; Q1474-D1619 PolarHBondContact N-OD2 3.46Å; N1475-D1619 PolarHBondContact N-OD1 3.31Å; Y1478-D1619 HydrophobicContact CD2-CB 3.79Å; Y1478-D1619 HydrophobicContact CE2-CB 4.27Å; A1615-D1619 WeakPolarHBondContact O-CB 3.2Å; A1615-D1619 PolarHBondContact O-N 3.08Å; I1616-D1619 PolarHBondContact O-N 2.84Å; D1619-G1621 PolarHBondContact O-N 2.89Å |
| 1620 | S | 88.9 | Confident | 91.2 | Very high | 19 Ų | 19 | 15.6 Ų | 15.6 | 13% | 0.133 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2.8 | 175.7 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | I1616 Y1617 L1618 F1623 | I1616-S1620 VanDerWaalsContact O-CB 3.25Å; I1616-S1620 WeakPolarHBondContact O-CB 3.42Å; I1616-S1620 PolarHBondContact O-N 2.79Å; I1616-S1620 PolarHBondContact O-OG 3.08Å; Y1617-S1620 PolarHBondContact O-OG 3Å; L1618-S1620 VanDerWaalsContact C-N 3.34Å; L1618-S1620 PolarHBondContact O-N 3.03Å; S1620-F1623 WeakPolarHBondContact O-CB 3.44Å |
| 1621 | G | 84.1 | Confident | 91 | Very high | 56 Ų | 56 | 14.9 Ų | 14.9 | 58% | 0.577 | 9% | 0.088 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 39.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L1618 D1619 F1623 | L1618-G1621 PolarHBondContact O-N 3.15Å; D1619-G1621 PolarHBondContact O-N 2.89Å; G1621-F1623 VanDerWaalsContact C-N 3.33Å |
| 1622 | C | 86 | Confident | 90.8 | Very high | 21 Ų | 21 | 15.3 Ų | 15.3 | 14% | 0.142 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 66.1 | 27.8 | -175.5 | -56.2 | 0 | 0 | 0 | 0 | 114.1 | Y1617 L1624 | Y1617-C1622 HydrophobicContact CE1-CB 3.86Å; Y1617-C1622 VanDerWaalsContact CE2-C 3.49Å; Y1617-C1622 HydrophobicContact CE2-CB 4.08Å; Y1617-C1622 VanDerWaalsContact CE2-O 3.25Å; Y1617-C1622 WeakPolarHBondContact CE2-O 3.28Å; Y1617-C1622 WeakPolarHBondContact O-CA 3.42Å; Y1617-C1622 PolarHBondContact O-N 2.95Å; C1622-L1624 PolarHBondContact O-N 2.86Å |
| 1623 | F | 84.6 | Confident | 90.4 | Very high | 67 Ų | 67 | 18.6 Ų | 18.6 | 29% | 0.294 | 11% | 0.109 | S | C | . | . | trans | -93.3 | 94.6 | -171.5 | -160.5 | -105.3 | 0 | 0 | 0 | 112.3 | F1209 I1224 S1620 G1621 H1625 A1626 | F1209-F1623 HydrophobicContact CE2-CD1 4.38Å; F1209-F1623 HydrophobicContact CE2-CE1 4.19Å; F1209-F1623 AromaticContact CZ-CD1 3.89Å; F1209-F1623 HydrophobicContact CZ-CD1 3.89Å; F1209-F1623 HydrophobicContact CZ-CE1 4.1Å; I1224-F1623 HydrophobicContact CD1-CD1 4.34Å; I1224-F1623 HydrophobicContact CD1-CD2 4.11Å; I1224-F1623 HydrophobicContact CD1-CE1 3.82Å; I1224-F1623 HydrophobicContact CD1-CE2 3.56Å; I1224-F1623 HydrophobicContact CD1-CG 4.48Å; I1224-F1623 HydrophobicContact CD1-CZ 3.4Å; I1224-F1623 HydrophobicContact CG1-CD2 4.13Å; I1224-F1623 HydrophobicContact CG1-CE2 3.6Å; I1224-F1623 HydrophobicContact CG1-CZ 3.95Å; S1620-F1623 WeakPolarHBondContact O-CB 3.44Å; G1621-F1623 VanDerWaalsContact C-N 3.33Å; F1623-H1625 VanDerWaalsContact C-N 3.27Å; F1623-H1625 HydrophobicContact CD1-CB 4.11Å; F1623-H1625 HydrophobicContact CE1-CB 3.82Å; F1623-H1625 PolarHBondContact O-N 2.87Å; F1623-H1625 VanDerWaalsContact O-N 3.11Å; F1623-A1626 HydrophobicContact CB-CB 4.47Å; F1623-A1626 HydrophobicContact CD1-CB 4.08Å; F1623-A1626 WeakPolarHBondContact O-CB 3.38Å; F1623-A1626 PolarHBondContact O-N 3.31Å | ||
| 1624 | L | 88.3 | Confident | 90.2 | Very high | 12 Ų | 12 | 19 Ų | 19 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -48.1 | -41.4 | -176.4 | -76.2 | 176.9 | 0 | 0 | 0 | 114.7 | F1223 Y1269 V1507 Y1510 L1511 Y1617 C1622 A1626 V1627 W1628 | F1223-L1624 HydrophobicContact CB-CB 3.84Å; F1223-L1624 HydrophobicContact CG-CB 4.45Å; Y1269-L1624 HydrophobicContact CE1-CD1 4.28Å; Y1269-L1624 HydrophobicContact CE2-CD2 3.9Å; V1507-L1624 HydrophobicContact CG1-CD2 4.01Å; V1507-L1624 HydrophobicContact CG2-CD2 4.46Å; Y1510-L1624 HydrophobicContact CD1-CD1 4.07Å; Y1510-L1624 HydrophobicContact CE1-CD1 3.79Å; L1511-L1624 HydrophobicContact CD2-CB 4.13Å; L1511-L1624 HydrophobicContact CD2-CD2 4.25Å; L1511-L1624 HydrophobicContact CG-CD2 4.34Å; Y1617-L1624 HydrophobicContact CD2-CD2 4.04Å; Y1617-L1624 HydrophobicContact CE2-CD2 3.74Å; Y1617-L1624 HydrophobicContact CE2-CG 4.09Å; C1622-L1624 PolarHBondContact O-N 2.86Å; L1624-A1626 VanDerWaalsContact C-N 3.27Å; L1624-A1626 PolarHBondContact O-N 3.16Å; L1624-V1627 WeakPolarHBondContact O-CB 3.42Å; L1624-V1627 PolarHBondContact O-N 3.38Å; L1624-W1628 PolarHBondContact O-N 3.07Å; L1624-W1628 VanDerWaalsContact O-N 3.1Å |
| 1625 | H | 86.5 | Confident | 90 | Very high | 42 Ų | 42 | 19 Ų | 19 | 19% | 0.194 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -27.5 | 179.4 | 179.5 | -87.7 | 0 | 0 | 0 | 113.3 | I1221 F1223 I1224 F1623 R1629 | I1221-H1625 PolarHBondContact O-CD2 2.94Å; F1223-H1625 HydrophobicContact CB-CB 4.46Å; F1223-H1625 HydrophobicContact CD2-CB 4.13Å; I1224-H1625 HydrophobicContact CD1-CB 3.56Å; F1623-H1625 VanDerWaalsContact C-N 3.27Å; F1623-H1625 HydrophobicContact CD1-CB 4.11Å; F1623-H1625 HydrophobicContact CE1-CB 3.82Å; F1623-H1625 PolarHBondContact O-N 2.87Å; F1623-H1625 VanDerWaalsContact O-N 3.11Å; H1625-R1629 WeakPolarHBondContact O-CB 3.44Å; H1625-R1629 PolarHBondContact O-N 3.09Å |
| 1626 | A | 88.5 | Confident | 89.6 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.6 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1209 F1623 L1624 | F1209-A1626 HydrophobicContact CE1-CB 4.13Å; F1209-A1626 HydrophobicContact CZ-CB 4.39Å; F1623-A1626 HydrophobicContact CB-CB 4.47Å; F1623-A1626 HydrophobicContact CD1-CB 4.08Å; F1623-A1626 WeakPolarHBondContact O-CB 3.38Å; F1623-A1626 PolarHBondContact O-N 3.31Å; L1624-A1626 VanDerWaalsContact C-N 3.27Å; L1624-A1626 PolarHBondContact O-N 3.16Å |
| 1627 | V | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -49.2 | 174.2 | -173.2 | 0 | 0 | 0 | 0 | 110 | V1507 L1508 L1511 A1613 I1616 Y1617 L1624 R1629 V1630 Y1631 | V1507-V1627 HydrophobicContact CG1-CG1 4.12Å; V1507-V1627 HydrophobicContact CG1-CG2 4.38Å; L1508-V1627 HydrophobicContact CD2-CG1 4.49Å; L1511-V1627 HydrophobicContact CD1-CB 3.91Å; L1511-V1627 HydrophobicContact CD1-CG1 3.85Å; A1613-V1627 HydrophobicContact CB-CG1 3.91Å; I1616-V1627 HydrophobicContact CB-CG2 4.48Å; I1616-V1627 HydrophobicContact CG2-CG2 4.16Å; Y1617-V1627 HydrophobicContact CD2-CG2 4.21Å; Y1617-V1627 HydrophobicContact CG-CG2 4.48Å; L1624-V1627 WeakPolarHBondContact O-CB 3.42Å; L1624-V1627 PolarHBondContact O-N 3.38Å; V1627-R1629 PolarHBondContact O-N 3.39Å; V1627-V1630 PolarHBondContact O-N 3.08Å; V1627-Y1631 HydrophobicContact CG1-CD2 4.31Å; V1627-Y1631 PolarHBondContact O-N 3.46Å |
| 1628 | W | 92.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | -179.2 | -167.6 | -110.1 | 0 | 0 | 0 | 113 | F1223 L1511 I1512 H1515 L1624 V1630 Y1631 Y1632 I1639 | F1223-W1628 HydrophobicContact CD2-CB 4.22Å; F1223-W1628 HydrophobicContact CD2-CG 4.49Å; F1223-W1628 HydrophobicContact CE2-CB 3.58Å; F1223-W1628 AromaticContact CE2-CD1 3.36Å; F1223-W1628 HydrophobicContact CE2-CD2 4.24Å; F1223-W1628 AromaticContact CE2-CG 3.42Å; F1223-W1628 HydrophobicContact CE2-CG 3.42Å; F1223-W1628 VanDerWaalsContact CE2-CG 3.42Å; F1223-W1628 HydrophobicContact CZ-CB 4.03Å; F1223-W1628 AromaticContact CZ-CD1 3.66Å; F1223-W1628 AromaticContact CZ-CD2 3.9Å; F1223-W1628 HydrophobicContact CZ-CD2 3.9Å; F1223-W1628 AromaticContact CZ-CG 3.57Å; F1223-W1628 HydrophobicContact CZ-CG 3.57Å; F1223-W1628 AromaticContact CZ-NE1 3.92Å; L1511-W1628 HydrophobicContact CB-CE3 3.63Å; L1511-W1628 HydrophobicContact CB-CZ3 3.9Å; L1511-W1628 HydrophobicContact CD1-CB 4.38Å; L1511-W1628 HydrophobicContact CD1-CE3 4.27Å; L1511-W1628 HydrophobicContact CD2-CB 4.21Å; L1511-W1628 HydrophobicContact CG-CE3 4.38Å; I1512-W1628 HydrophobicContact CG1-CH2 4.33Å; I1512-W1628 HydrophobicContact CG1-CZ3 3.96Å; H1515-W1628 HydrophobicContact CB-CH2 3.75Å; H1515-W1628 HydrophobicContact CB-CZ2 3.47Å; H1515-W1628 VanDerWaalsContact CB-CZ2 3.47Å; H1515-W1628 AromaticContact CD2-CZ2 3.66Å; H1515-W1628 AromaticContact CG-CH2 3.98Å; H1515-W1628 AromaticContact CG-CZ2 3.41Å; H1515-W1628 VanDerWaalsContact CG-CZ2 3.41Å; H1515-W1628 AromaticContact ND1-CZ2 3.98Å; L1624-W1628 PolarHBondContact O-N 3.07Å; L1624-W1628 VanDerWaalsContact O-N 3.1Å; W1628-V1630 PolarHBondContact O-N 2.95Å; W1628-Y1631 PolarHBondContact O-N 3.43Å; W1628-Y1632 AromaticContact CE2-CD2 3.68Å; W1628-Y1632 HydrophobicContact CH2-CD2 4.2Å; W1628-Y1632 AromaticContact CZ2-CD2 3.4Å; W1628-Y1632 HydrophobicContact CZ2-CD2 3.4Å; W1628-Y1632 HydrophobicContact CZ2-CE2 4.09Å; W1628-Y1632 HydrophobicContact CZ2-CG 4.28Å; W1628-Y1632 AromaticContact NE1-CD2 3.79Å; W1628-Y1632 AromaticContact NE1-CG 3.93Å; W1628-Y1632 WeakPolarHBondContact O-CB 3.24Å; W1628-Y1632 PolarHBondContact O-N 2.97Å; W1628-I1639 HydrophobicContact CH2-CD1 4.13Å |
| 1629 | R | 89 | Confident | 88.5 | Confident | 52 Ų | 52 | 25.7 Ų | 25.7 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.4 | -30.5 | 177.3 | -168.8 | 176.1 | -172.8 | 166.8 | 4.8 | 113.1 | A1212 P1213 L1215 H1625 V1627 | A1212-R1629 PolarHBondContact O-NH2 2.86Å; P1213-R1629 VanDerWaalsContact O-CZ 3.28Å; P1213-R1629 PolarHBondContact O-NE 2.84Å; P1213-R1629 PolarHBondContact O-NH2 2.78Å; L1215-R1629 HydrophobicContact CD1-CG 4.37Å; L1215-R1629 HydrophobicContact CG-CG 4.41Å; H1625-R1629 WeakPolarHBondContact O-CB 3.44Å; H1625-R1629 PolarHBondContact O-N 3.09Å; V1627-R1629 PolarHBondContact O-N 3.39Å |
| 1630 | V | 92.1 | Very high | 88.2 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -83.9 | -52.3 | 174.4 | 176 | 0 | 0 | 0 | 0 | 111 | I1469 Y1471 I1616 V1627 W1628 Y1632 V1633 I1634 | I1469-V1630 HydrophobicContact CB-CG1 4.17Å; Y1471-V1630 HydrophobicContact CD2-CG2 4.15Å; Y1471-V1630 HydrophobicContact CG-CG2 4.29Å; I1616-V1630 HydrophobicContact CD1-CB 4.29Å; I1616-V1630 HydrophobicContact CD1-CG1 3.97Å; I1616-V1630 HydrophobicContact CD1-CG2 4.33Å; V1627-V1630 PolarHBondContact O-N 3.08Å; W1628-V1630 PolarHBondContact O-N 2.95Å; V1630-Y1632 PolarHBondContact O-N 2.95Å; V1630-V1633 PolarHBondContact O-N 3.39Å; V1630-I1634 HydrophobicContact CG1-CD1 4.21Å |
| 1631 | Y | 94 | Very high | 87.8 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.2 | -27.2 | -170.7 | -85.9 | -114.8 | 0 | 0 | 0 | 113.4 | L1508 F1609 V1612 A1613 I1616 V1627 W1628 I1634 M1635 | L1508-Y1631 HydrophobicContact CD1-CD1 4.2Å; L1508-Y1631 HydrophobicContact CD1-CE1 4.03Å; L1508-Y1631 HydrophobicContact CD2-CD1 3.53Å; L1508-Y1631 HydrophobicContact CD2-CE1 4.06Å; L1508-Y1631 HydrophobicContact CD2-CG 4Å; F1609-Y1631 HydrophobicContact CD1-CD1 4.49Å; F1609-Y1631 AromaticContact CD1-CE1 3.81Å; F1609-Y1631 HydrophobicContact CD1-CE1 3.81Å; F1609-Y1631 HydrophobicContact CD2-CE1 4.34Å; F1609-Y1631 AromaticContact CE1-CD1 3.75Å; F1609-Y1631 HydrophobicContact CE1-CD1 3.75Å; F1609-Y1631 AromaticContact CE1-CE1 3.49Å; F1609-Y1631 HydrophobicContact CE1-CE1 3.49Å; F1609-Y1631 VanDerWaalsContact CE1-CE1 3.49Å; F1609-Y1631 HydrophobicContact CE2-CE1 4.05Å; F1609-Y1631 HydrophobicContact CG-CE1 4.23Å; F1609-Y1631 AromaticContact CZ-CD1 3.79Å; F1609-Y1631 HydrophobicContact CZ-CD1 3.79Å; F1609-Y1631 AromaticContact CZ-CE1 3.62Å; F1609-Y1631 HydrophobicContact CZ-CE1 3.62Å; F1609-Y1631 WeakPolarHBondContact O-CE1 3.32Å; F1609-Y1631 PolarHBondContact O-OH 3.42Å; V1612-Y1631 WeakPolarHBondContact CB-OH 3.18Å; V1612-Y1631 WeakPolarHBondContact CG1-OH 3.37Å; A1613-Y1631 HydrophobicContact CB-CD1 4.48Å; A1613-Y1631 HydrophobicContact CB-CE1 3.94Å; A1613-Y1631 HydrophobicContact CB-CE2 4.04Å; A1613-Y1631 PolarHBondContact N-OH 2.95Å; A1613-Y1631 VanDerWaalsContact N-OH 3.11Å; I1616-Y1631 HydrophobicContact CD1-CE2 3.97Å; V1627-Y1631 HydrophobicContact CG1-CD2 4.31Å; V1627-Y1631 PolarHBondContact O-N 3.46Å; W1628-Y1631 PolarHBondContact O-N 3.43Å; Y1631-I1634 WeakPolarHBondContact O-CB 3.48Å; Y1631-I1634 PolarHBondContact O-N 2.84Å; Y1631-M1635 WeakPolarHBondContact O-CB 3.36Å; Y1631-M1635 WeakPolarHBondContact O-CG 3.19Å; Y1631-M1635 PolarHBondContact O-N 3.3Å |
| 1632 | Y | 90.6 | Very high | 87.5 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 173 | -171.7 | -106.6 | 0 | 0 | 0 | 111.5 | L1215 E1219 H1515 W1628 V1630 I1634 M1635 H1636 I1639 K1640 | L1215-Y1632 HydrophobicContact CD2-CD1 3.78Å; L1215-Y1632 HydrophobicContact CD2-CE1 4.5Å; E1219-Y1632 HydrophobicContact CB-CE1 4.26Å; E1219-Y1632 HydrophobicContact CG-CE1 4.45Å; E1219-Y1632 PolarHBondContact OE1-OH 3.09Å; H1515-Y1632 AromaticContact CE1-CE2 3.83Å; H1515-Y1632 AromaticContact NE2-CE2 3.54Å; W1628-Y1632 AromaticContact CE2-CD2 3.68Å; W1628-Y1632 HydrophobicContact CH2-CD2 4.2Å; W1628-Y1632 AromaticContact CZ2-CD2 3.4Å; W1628-Y1632 HydrophobicContact CZ2-CD2 3.4Å; W1628-Y1632 HydrophobicContact CZ2-CE2 4.09Å; W1628-Y1632 HydrophobicContact CZ2-CG 4.28Å; W1628-Y1632 AromaticContact NE1-CD2 3.79Å; W1628-Y1632 AromaticContact NE1-CG 3.93Å; W1628-Y1632 WeakPolarHBondContact O-CB 3.24Å; W1628-Y1632 PolarHBondContact O-N 2.97Å; V1630-Y1632 PolarHBondContact O-N 2.95Å; Y1632-I1634 PolarHBondContact O-N 3.38Å; Y1632-M1635 PolarHBondContact O-N 3.24Å; Y1632-M1635 VanDerWaalsContact O-N 3.13Å; Y1632-H1636 HydrophobicContact CD1-CB 4.2Å; Y1632-H1636 HydrophobicContact CD2-CB 4.43Å; Y1632-H1636 HydrophobicContact CE1-CB 3.83Å; Y1632-H1636 HydrophobicContact CE2-CB 4.09Å; Y1632-H1636 HydrophobicContact CG-CB 4.5Å; Y1632-H1636 WeakPolarHBondContact O-CA 3.47Å; Y1632-H1636 VanDerWaalsContact O-CB 3.22Å; Y1632-H1636 WeakPolarHBondContact O-CB 3.42Å; Y1632-H1636 PolarHBondContact O-N 2.92Å; Y1632-I1639 HydrophobicContact CD2-CD1 4.28Å; Y1632-I1639 HydrophobicContact CE2-CD1 4.29Å; Y1632-K1640 PolarHBondContact OH-NZ 2.82Å |
| 1633 | V | 88.7 | Confident | 87.1 | Confident | 69 Ų | 69 | 29 Ų | 29 | 42% | 0.418 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.9 | -38.1 | 177.1 | -180 | 0 | 0 | 0 | 0 | 110.9 | V1630 H1636 | V1630-V1633 PolarHBondContact O-N 3.39Å; V1633-H1636 PolarHBondContact O-CE1 2.65Å; V1633-H1636 PolarHBondContact O-ND1 3.3Å |
| 1634 | I | 90.4 | Very high | 86.8 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 5% | 0.046 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.8 | -39.9 | 176.9 | -67 | 172.4 | 0 | 0 | 0 | 112.3 | F1548 F1550 F1609 V1630 Y1631 Y1632 | F1548-I1634 HydrophobicContact CD1-CG1 4.14Å; F1548-I1634 HydrophobicContact CD2-CG2 3.8Å; F1548-I1634 HydrophobicContact CE1-CG1 4.01Å; F1548-I1634 HydrophobicContact CE2-CB 4.25Å; F1548-I1634 HydrophobicContact CE2-CG2 3.74Å; F1548-I1634 WeakPolarHBondContact CE2-O 3.37Å; F1548-I1634 HydrophobicContact CG-CG1 4.46Å; F1548-I1634 HydrophobicContact CG-CG2 4.34Å; F1548-I1634 HydrophobicContact CZ-CB 4.22Å; F1548-I1634 HydrophobicContact CZ-CG1 4.21Å; F1548-I1634 HydrophobicContact CZ-CG2 4.21Å; F1550-I1634 HydrophobicContact CZ-CD1 4.43Å; F1609-I1634 HydrophobicContact CE2-CG2 3.71Å; F1609-I1634 HydrophobicContact CZ-CG2 3.73Å; V1630-I1634 HydrophobicContact CG1-CD1 4.21Å; Y1631-I1634 WeakPolarHBondContact O-CB 3.48Å; Y1631-I1634 PolarHBondContact O-N 2.84Å; Y1632-I1634 PolarHBondContact O-N 3.38Å |
| 1635 | M | 90 | Very high | 86 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -99.7 | -19 | -169.8 | -65.6 | -171 | 72.6 | 0 | 0 | 115.4 | I1512 F1541 L1544 F1609 Y1631 Y1632 E1637 Q1638 I1639 | I1512-M1635 HydrophobicContact CD1-CE 3.72Å; I1512-M1635 HydrophobicContact CD1-SD 4.06Å; I1512-M1635 HydrophobicContact CG1-CE 4.35Å; I1512-M1635 HydrophobicContact CG1-SD 4.46Å; F1541-M1635 HydrophobicContact CD1-CE 4.46Å; F1541-M1635 HydrophobicContact CE1-CE 3.89Å; L1544-M1635 HydrophobicContact CD1-CE 4.36Å; L1544-M1635 HydrophobicContact CD1-CG 3.87Å; F1609-M1635 HydrophobicContact CE1-SD 4.33Å; F1609-M1635 HydrophobicContact CZ-CG 4.31Å; Y1631-M1635 WeakPolarHBondContact O-CB 3.36Å; Y1631-M1635 WeakPolarHBondContact O-CG 3.19Å; Y1631-M1635 PolarHBondContact O-N 3.3Å; Y1632-M1635 PolarHBondContact O-N 3.24Å; Y1632-M1635 VanDerWaalsContact O-N 3.13Å; M1635-E1637 VanDerWaalsContact C-N 3.26Å; M1635-E1637 PolarHBondContact O-N 3.21Å; M1635-E1637 VanDerWaalsContact O-N 3.11Å; M1635-Q1638 PolarHBondContact O-N 3.24Å; M1635-I1639 HydrophobicContact CB-CD1 3.79Å; M1635-I1639 HydrophobicContact CB-CG1 4.18Å; M1635-I1639 WeakPolarHBondContact O-CG1 3.34Å; M1635-I1639 PolarHBondContact O-N 3.3Å |
| 1636 | H | 86.9 | Confident | 85.2 | Confident | 72 Ų | 72 | 34.1 Ų | 34.1 | 33% | 0.333 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.3 | -35.7 | -167.2 | 75.5 | -71.4 | 0 | 0 | 0 | 114.1 | Y1632 V1633 K1640 | Y1632-H1636 HydrophobicContact CD1-CB 4.2Å; Y1632-H1636 HydrophobicContact CD2-CB 4.43Å; Y1632-H1636 HydrophobicContact CE1-CB 3.83Å; Y1632-H1636 HydrophobicContact CE2-CB 4.09Å; Y1632-H1636 HydrophobicContact CG-CB 4.5Å; Y1632-H1636 WeakPolarHBondContact O-CA 3.47Å; Y1632-H1636 VanDerWaalsContact O-CB 3.22Å; Y1632-H1636 WeakPolarHBondContact O-CB 3.42Å; Y1632-H1636 PolarHBondContact O-N 2.92Å; V1633-H1636 PolarHBondContact O-CE1 2.65Å; V1633-H1636 PolarHBondContact O-ND1 3.3Å; H1636-K1640 VanDerWaalsContact O-CB 3.28Å; H1636-K1640 WeakPolarHBondContact O-CB 3.5Å; H1636-K1640 VanDerWaalsContact O-CG 3.31Å; H1636-K1640 WeakPolarHBondContact O-CG 3.14Å; H1636-K1640 PolarHBondContact O-N 3.3Å |
| 1637 | E | 85.3 | Confident | 84.2 | Confident | 69 Ų | 69 | 35.2 Ų | 35.2 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.6 | -43 | 177.5 | -168.3 | -156.7 | 131.8 | 0 | 0 | 110.6 | K1547 M1635 K1640 K1641 | K1547-E1637 IonicContact NZ-OE1 2.93Å; K1547-E1637 PolarHBondContact NZ-OE1 2.95Å; K1547-E1637 VanDerWaalsContact NZ-OE1 3.09Å; K1547-E1637 IonicContact NZ-OE2 3.87Å; K1547-E1637 PolarHBondContact NZ-OE2 3.01Å; M1635-E1637 VanDerWaalsContact C-N 3.26Å; M1635-E1637 PolarHBondContact O-N 3.21Å; M1635-E1637 VanDerWaalsContact O-N 3.11Å; E1637-K1640 PolarHBondContact O-N 2.89Å; E1637-K1641 HydrophobicContact CG-CD 4.45Å; E1637-K1641 WeakPolarHBondContact O-CB 3.49Å; E1637-K1641 WeakPolarHBondContact O-CG 3.35Å; E1637-K1641 PolarHBondContact O-N 3.12Å; E1637-K1641 IonicContact OE1-NZ 2.67Å; E1637-K1641 PolarHBondContact OE1-NZ 2.81Å |
| 1638 | Q | 83.9 | Confident | 83 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 7% | 0.065 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75 | -38.1 | 179.2 | -163.6 | 62.4 | 26.3 | 0 | 0 | 111.6 | L1535 I1540 M1635 K1640 K1641 C1642 | L1535-Q1638 HydrophobicContact CD2-CG 4.33Å; I1540-Q1638 HydrophobicContact CD1-CG 4.44Å; I1540-Q1638 HydrophobicContact CG2-CG 4.15Å; M1635-Q1638 PolarHBondContact O-N 3.24Å; Q1638-K1640 VanDerWaalsContact C-N 3.34Å; Q1638-K1640 PolarHBondContact O-N 3.45Å; Q1638-K1641 PolarHBondContact O-N 3.11Å; Q1638-C1642 WeakPolarHBondContact O-CB 3.01Å; Q1638-C1642 PolarHBondContact O-N 3.15Å; Q1638-C1642 PolarHBondContact O-SG 2.93Å; Q1638-C1642 VanDerWaalsContact O-SG 3.33Å |
| 1639 | I | 85.2 | Confident | 82 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 171.4 | -64.6 | 168 | 0 | 0 | 0 | 109.6 | L1535 W1628 Y1632 M1635 C1642 C1643 | L1535-I1639 HydrophobicContact CD1-CG1 4.27Å; L1535-I1639 HydrophobicContact CD2-CG1 4.12Å; W1628-I1639 HydrophobicContact CH2-CD1 4.13Å; Y1632-I1639 HydrophobicContact CD2-CD1 4.28Å; Y1632-I1639 HydrophobicContact CE2-CD1 4.29Å; M1635-I1639 HydrophobicContact CB-CD1 3.79Å; M1635-I1639 HydrophobicContact CB-CG1 4.18Å; M1635-I1639 WeakPolarHBondContact O-CG1 3.34Å; M1635-I1639 PolarHBondContact O-N 3.3Å; I1639-C1642 PolarHBondContact O-N 2.82Å; I1639-C1643 WeakPolarHBondContact O-CB 3.41Å; I1639-C1643 PolarHBondContact O-N 3.11Å; I1639-C1643 PolarHBondContact O-SG 3.13Å; I1639-C1643 VanDerWaalsContact O-SG 3.37Å |
| 1640 | K | 84.2 | Confident | 81.4 | Confident | 99 Ų | 99 | 37.9 Ų | 37.9 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.6 | -37.1 | 178.5 | -74.3 | 166.9 | 178.2 | 163.9 | 0 | 112.5 | E1219 Y1632 H1636 E1637 Q1638 A1644 | E1219-K1640 IonicContact OE1-NZ 3.65Å; E1219-K1640 PolarHBondContact OE1-NZ 3.42Å; Y1632-K1640 PolarHBondContact OH-NZ 2.82Å; H1636-K1640 VanDerWaalsContact O-CB 3.28Å; H1636-K1640 WeakPolarHBondContact O-CB 3.5Å; H1636-K1640 VanDerWaalsContact O-CG 3.31Å; H1636-K1640 WeakPolarHBondContact O-CG 3.14Å; H1636-K1640 PolarHBondContact O-N 3.3Å; E1637-K1640 PolarHBondContact O-N 2.89Å; Q1638-K1640 VanDerWaalsContact C-N 3.34Å; Q1638-K1640 PolarHBondContact O-N 3.45Å; K1640-A1644 WeakPolarHBondContact O-CB 3.02Å; K1640-A1644 PolarHBondContact O-N 2.94Å; K1640-A1644 VanDerWaalsContact O-N 3.1Å |
| 1641 | K | 81.3 | Confident | 80.8 | Confident | 59 Ų | 59 | 38.5 Ų | 38.5 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 171.9 | -80.4 | 172.6 | 167.3 | 173.5 | 0 | 112.1 | D1578 E1637 Q1638 A1644 N1645 | D1578-K1641 IonicContact OD1-NZ 3.14Å; D1578-K1641 PolarHBondContact OD1-NZ 3.49Å; E1637-K1641 HydrophobicContact CG-CD 4.45Å; E1637-K1641 WeakPolarHBondContact O-CB 3.49Å; E1637-K1641 WeakPolarHBondContact O-CG 3.35Å; E1637-K1641 PolarHBondContact O-N 3.12Å; E1637-K1641 IonicContact OE1-NZ 2.67Å; E1637-K1641 PolarHBondContact OE1-NZ 2.81Å; Q1638-K1641 PolarHBondContact O-N 3.11Å; K1641-A1644 PolarHBondContact O-N 3.04Å; K1641-N1645 PolarHBondContact O-N 3.4Å |
| 1642 | C | 77.7 | Confident | 80 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.5 | -42.4 | 179.1 | -69.5 | 0 | 0 | 0 | 0 | 113.1 | L1531 L1535 Q1638 I1639 A1644 N1645 P1646 | L1531-C1642 HydrophobicContact CD2-CB 4.16Å; L1535-C1642 HydrophobicContact CD1-CB 4.34Å; L1535-C1642 HydrophobicContact CD2-CB 3.98Å; L1535-C1642 HydrophobicContact CG-CB 4.17Å; Q1638-C1642 WeakPolarHBondContact O-CB 3.01Å; Q1638-C1642 PolarHBondContact O-N 3.15Å; Q1638-C1642 PolarHBondContact O-SG 2.93Å; Q1638-C1642 VanDerWaalsContact O-SG 3.33Å; I1639-C1642 PolarHBondContact O-N 2.82Å; C1642-A1644 VanDerWaalsContact C-N 3.3Å; C1642-A1644 PolarHBondContact O-N 2.8Å; C1642-N1645 CarbonylContact O-C 3.52Å; C1642-N1645 PolarHBondContact O-N 3.14Å; C1642-P1646 WeakPolarHBondContact O-CA 3.27Å |
| 1643 | C | 77.9 | Confident | 79.5 | Confident | 15 Ų | 15 | 46 Ų | 46 | 10% | 0.101 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -32.2 | 175.1 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | I1639 | I1639-C1643 WeakPolarHBondContact O-CB 3.41Å; I1639-C1643 PolarHBondContact O-N 3.11Å; I1639-C1643 PolarHBondContact O-SG 3.13Å; I1639-C1643 VanDerWaalsContact O-SG 3.37Å |
| 1644 | A | 77.2 | Confident | 79.2 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -74.4 | -34.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1640 K1641 C1642 | K1640-A1644 WeakPolarHBondContact O-CB 3.02Å; K1640-A1644 PolarHBondContact O-N 2.94Å; K1640-A1644 VanDerWaalsContact O-N 3.1Å; K1641-A1644 PolarHBondContact O-N 3.04Å; C1642-A1644 VanDerWaalsContact C-N 3.3Å; C1642-A1644 PolarHBondContact O-N 2.8Å |
| 1645 | N | 72.5 | Confident | 78.6 | Confident | 112 Ų | 112 | 46.2 Ų | 46.2 | 60% | 0.599 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -135.6 | 81.1 | 177 | -81.4 | -56 | 0 | 0 | 0 | 110.1 | K1641 C1642 | K1641-N1645 PolarHBondContact O-N 3.4Å; C1642-N1645 CarbonylContact O-C 3.52Å; C1642-N1645 PolarHBondContact O-N 3.14Å |
| 1646 | P | 68.1 | Low | 78 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | trans | -66.7 | 127.8 | -173.7 | 23.3 | -33.2 | 0 | 0 | 0 | 112.6 | L1527 L1531 C1642 V1648 | L1527-P1646 HydrophobicContact CD1-CB 3.35Å; L1527-P1646 HydrophobicContact CD1-CG 3.66Å; L1531-P1646 HydrophobicContact CD2-CB 4.1Å; C1642-P1646 WeakPolarHBondContact O-CA 3.27Å; P1646-V1648 PolarHBondContact O-N 2.67Å | ||
| 1647 | P | 68 | Low | 77.4 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | trans | -76.8 | 84.8 | -179.2 | 31.5 | -35.5 | 0 | 0 | 0 | 111.1 | S1534 D1582 S1649 | S1534-P1647 WeakPolarHBondContact OG-CG 3.42Å; D1582-P1647 HydrophobicContact CB-CB 3.67Å; D1582-P1647 HydrophobicContact CB-CG 4.4Å; D1582-P1647 WeakPolarHBondContact OD2-CG 3.43Å; P1647-S1649 PolarHBondContact O-N 3.29Å | ||
| 1648 | V | 67.4 | Low | 77.1 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 26% | 0.255 | 26% | 0.263 | S | S | . | . | trans | -61.7 | 125.5 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | P1646 R1652 K1653 | P1646-V1648 PolarHBondContact O-N 2.67Å; V1648-R1652 HydrophobicContact CG1-CB 4.25Å; V1648-R1652 HydrophobicContact CG1-CG 4.14Å; V1648-K1653 HydrophobicContact CG1-CB 3.99Å | ||
| 1649 | S | 71.3 | Confident | 76.3 | Confident | 37 Ų | 37 | 52 Ų | 52 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | trans | -48.6 | 130.9 | 176.9 | 169.5 | 0 | 0 | 0 | 0 | 112.4 | D1530 P1647 V1651 R1652 K1653 | D1530-S1649 WeakPolarHBondContact OD1-CB 3.31Å; D1530-S1649 PolarHBondContact OD1-N 3.3Å; P1647-S1649 PolarHBondContact O-N 3.29Å; S1649-V1651 PolarHBondContact O-N 2.99Å; S1649-V1651 VanDerWaalsContact O-N 3.11Å; S1649-R1652 CarbonylContact O-C 3.57Å; S1649-R1652 WeakPolarHBondContact O-CA 3.31Å; S1649-R1652 WeakPolarHBondContact O-CB 3.46Å; S1649-R1652 PolarHBondContact O-N 3.1Å; S1649-K1653 PolarHBondContact O-N 3.24Å | ||
| 1650 | P | 77.5 | Confident | 75.5 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 20% | 0.195 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58 | -28.9 | 179.7 | -28.3 | 36 | 0 | 0 | 0 | 114.3 | L1654 T1700 A1703 K1704 L1707 | P1650-L1654 WeakPolarHBondContact O-CB 3.26Å; P1650-L1654 PolarHBondContact O-N 3.06Å; P1650-T1700 HydrophobicContact CB-CG2 4.17Å; P1650-T1700 HydrophobicContact CG-CG2 3.91Å; P1650-A1703 HydrophobicContact CB-CB 4.42Å; P1650-A1703 WeakPolarHBondContact O-CB 3.46Å; P1650-K1704 HydrophobicContact CB-CG 3.77Å; P1650-K1704 HydrophobicContact CG-CG 3.91Å; P1650-L1707 HydrophobicContact CB-CD1 3.97Å; P1650-L1707 WeakPolarHBondContact O-CD1 3.42Å |
| 1651 | V | 79.7 | Confident | 75.2 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -45.8 | 174.2 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | S1649 L1654 M1655 F1664 K1699 A1703 | S1649-V1651 PolarHBondContact O-N 2.99Å; S1649-V1651 VanDerWaalsContact O-N 3.11Å; V1651-L1654 PolarHBondContact O-N 3.27Å; V1651-M1655 HydrophobicContact CG1-SD 4.11Å; V1651-M1655 WeakPolarHBondContact O-CG 3.45Å; V1651-M1655 PolarHBondContact O-N 2.86Å; V1651-F1664 HydrophobicContact CG1-CE2 3.96Å; V1651-F1664 HydrophobicContact CG1-CZ 3.83Å; V1651-K1699 HydrophobicContact CG1-CD 4.37Å; V1651-K1699 HydrophobicContact CG1-CG 4.44Å; V1651-K1699 HydrophobicContact CG2-CD 4.49Å; V1651-K1699 HydrophobicContact CG2-CG 4.03Å; V1651-A1703 HydrophobicContact CB-CB 4.45Å; V1651-A1703 HydrophobicContact CG2-CB 3.99Å |
| 1652 | R | 75.5 | Confident | 75.1 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 177.5 | -179 | -177.7 | 165.3 | -169.9 | -1.5 | 111.2 | N1526 D1530 V1648 S1649 L1654 M1655 E1656 | N1526-R1652 PolarHBondContact O-NH1 3.08Å; D1530-R1652 VanDerWaalsContact OD2-CD 3.24Å; D1530-R1652 WeakPolarHBondContact OD2-CD 3.19Å; D1530-R1652 IonicContact OD2-CZ 2.66Å; D1530-R1652 IonicContact OD2-NE 3.09Å; D1530-R1652 IonicContact OD2-NH1 3.45Å; D1530-R1652 PolarHBondContact OD2-NH1 3.13Å; V1648-R1652 HydrophobicContact CG1-CB 4.25Å; V1648-R1652 HydrophobicContact CG1-CG 4.14Å; S1649-R1652 CarbonylContact O-C 3.57Å; S1649-R1652 WeakPolarHBondContact O-CA 3.31Å; S1649-R1652 WeakPolarHBondContact O-CB 3.46Å; S1649-R1652 PolarHBondContact O-N 3.1Å; R1652-L1654 PolarHBondContact O-N 2.58Å; R1652-L1654 VanDerWaalsContact O-N 3.14Å; R1652-M1655 CarbonylContact O-C 3.59Å; R1652-M1655 WeakPolarHBondContact O-CA 3.35Å; R1652-M1655 PolarHBondContact O-N 3.03Å; R1652-E1656 HydrophobicContact CG-CG 4.09Å; R1652-E1656 IonicContact CZ-OE1 2.7Å; R1652-E1656 IonicContact NE-OE1 2.68Å; R1652-E1656 PolarHBondContact NE-OE1 3.48Å; R1652-E1656 IonicContact NE-OE2 3.64Å; R1652-E1656 IonicContact NH2-OE1 2.69Å; R1652-E1656 PolarHBondContact NH2-OE1 3.27Å; R1652-E1656 WeakPolarHBondContact O-CG 3.07Å; R1652-E1656 PolarHBondContact O-N 3.42Å |
| 1653 | K | 80.6 | Confident | 75.4 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 47% | 0.47 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.3 | -27.1 | 180 | -166 | 164 | -170.7 | 163.9 | 0 | 113.4 | V1648 S1649 M1657 L1707 | V1648-K1653 HydrophobicContact CG1-CB 3.99Å; S1649-K1653 PolarHBondContact O-N 3.24Å; K1653-M1657 WeakPolarHBondContact O-CG 3.18Å; K1653-M1657 PolarHBondContact O-N 3.36Å; K1653-L1707 HydrophobicContact CB-CD1 4.36Å; K1653-L1707 HydrophobicContact CG-CD2 4.43Å |
| 1654 | L | 81.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.3 | -46 | 170.3 | -177 | 67.2 | 0 | 0 | 0 | 111.3 | P1650 V1651 R1652 E1656 M1657 E1658 T1662 F1664 V1682 A1703 A1706 L1707 L1710 | P1650-L1654 WeakPolarHBondContact O-CB 3.26Å; P1650-L1654 PolarHBondContact O-N 3.06Å; V1651-L1654 PolarHBondContact O-N 3.27Å; R1652-L1654 PolarHBondContact O-N 2.58Å; R1652-L1654 VanDerWaalsContact O-N 3.14Å; L1654-E1656 VanDerWaalsContact C-N 3.32Å; L1654-E1656 PolarHBondContact O-N 3.03Å; L1654-M1657 PolarHBondContact O-N 2.62Å; L1654-E1658 PolarHBondContact O-N 2.86Å; L1654-T1662 HydrophobicContact CD2-CG2 3.65Å; L1654-T1662 HydrophobicContact CG-CG2 3.86Å; L1654-F1664 HydrophobicContact CD2-CZ 4.19Å; L1654-V1682 HydrophobicContact CD1-CG2 4.28Å; L1654-V1682 HydrophobicContact CD2-CG2 4.34Å; L1654-A1703 HydrophobicContact CB-CB 4.49Å; L1654-A1703 HydrophobicContact CD2-CB 4.07Å; L1654-A1706 HydrophobicContact CD1-CB 3.75Å; L1654-A1706 HydrophobicContact CD2-CB 3.71Å; L1654-A1706 HydrophobicContact CG-CB 4.41Å; L1654-L1707 HydrophobicContact CB-CD2 4.02Å; L1654-L1707 HydrophobicContact CB-CG 4.22Å; L1654-L1707 HydrophobicContact CD1-CD2 4.07Å; L1654-L1707 HydrophobicContact CD1-CG 4.35Å; L1654-L1710 HydrophobicContact CD1-CD1 3.48Å; L1654-L1710 VanDerWaalsContact CD1-CD1 3.48Å |
| 1655 | M | 78.8 | Confident | 75.4 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70 | -23.3 | 178.5 | -65.7 | 175.8 | 106.5 | 0 | 0 | 113.3 | V1651 R1652 P1659 T1662 F1664 | V1651-M1655 HydrophobicContact CG1-SD 4.11Å; V1651-M1655 WeakPolarHBondContact O-CG 3.45Å; V1651-M1655 PolarHBondContact O-N 2.86Å; R1652-M1655 CarbonylContact O-C 3.59Å; R1652-M1655 WeakPolarHBondContact O-CA 3.35Å; R1652-M1655 PolarHBondContact O-N 3.03Å; M1655-P1659 WeakPolarHBondContact O-CA 3.27Å; M1655-P1659 WeakPolarHBondContact O-CB 3.48Å; M1655-P1659 VanDerWaalsContact O-CD 3.3Å; M1655-P1659 WeakPolarHBondContact O-CD 3.47Å; M1655-P1659 WeakPolarHBondContact O-CG 3.49Å; M1655-P1659 VanDerWaalsContact O-N 3.1Å; M1655-T1662 HydrophobicContact CG-CG2 3.99Å; M1655-F1664 HydrophobicContact CE-CD2 4.46Å; M1655-F1664 HydrophobicContact CE-CE2 4.28Å; M1655-F1664 HydrophobicContact CG-CE2 4.3Å; M1655-F1664 HydrophobicContact SD-CE2 3.97Å |
| 1656 | E | 76.3 | Confident | 74.8 | Confident | 96 Ų | 96 | 67 Ų | 67 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -79.5 | -32.7 | 173.2 | -72.7 | 175.5 | 146.4 | 0 | 0 | 112.5 | R1652 L1654 | R1652-E1656 HydrophobicContact CG-CG 4.09Å; R1652-E1656 IonicContact CZ-OE1 2.7Å; R1652-E1656 IonicContact NE-OE1 2.68Å; R1652-E1656 PolarHBondContact NE-OE1 3.48Å; R1652-E1656 IonicContact NE-OE2 3.64Å; R1652-E1656 IonicContact NH2-OE1 2.69Å; R1652-E1656 PolarHBondContact NH2-OE1 3.27Å; R1652-E1656 WeakPolarHBondContact O-CG 3.07Å; R1652-E1656 PolarHBondContact O-N 3.42Å; L1654-E1656 VanDerWaalsContact C-N 3.32Å; L1654-E1656 PolarHBondContact O-N 3.03Å |
| 1657 | M | 74.8 | Confident | 74.6 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -80.8 | -31.1 | 174.6 | -69.7 | -165.2 | -52.3 | 0 | 0 | 113.2 | K1653 L1654 L1707 L1710 | K1653-M1657 WeakPolarHBondContact O-CG 3.18Å; K1653-M1657 PolarHBondContact O-N 3.36Å; L1654-M1657 PolarHBondContact O-N 2.62Å; M1657-L1707 HydrophobicContact CE-CD2 3.3Å; M1657-L1710 HydrophobicContact CE-CD1 4.24Å |
| 1658 | E | 78.6 | Confident | 74.1 | Confident | 33 Ų | 33 | 71.9 Ų | 71.9 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -136.5 | 64.7 | -179.6 | -76.3 | -73.7 | -164.4 | 0 | 0 | 112.1 | L1654 E1660 R1661 T1662 V1682 L1710 | L1654-E1658 PolarHBondContact O-N 2.86Å; E1658-E1660 PolarHBondContact O-N 2.91Å; E1658-R1661 HydrophobicContact CB-CB 4.33Å; E1658-R1661 PolarHBondContact O-N 3.19Å; E1658-R1661 IonicContact OE1-NH1 2.6Å; E1658-R1661 PolarHBondContact OE1-NH1 3.22Å; E1658-R1661 WeakPolarHBondContact OE2-CD 3.14Å; E1658-R1661 VanDerWaalsContact OE2-CG 3.3Å; E1658-R1661 WeakPolarHBondContact OE2-CG 3.3Å; E1658-R1661 IonicContact OE2-CZ 3.25Å; E1658-R1661 IonicContact OE2-NE 3.37Å; E1658-R1661 IonicContact OE2-NH1 2.92Å; E1658-R1661 PolarHBondContact OE2-NH1 2.97Å; E1658-T1662 WeakPolarHBondContact CB-OG1 3.28Å; E1658-T1662 VanDerWaalsContact O-CB 3.25Å; E1658-T1662 WeakPolarHBondContact O-CB 3.44Å; E1658-T1662 PolarHBondContact O-N 2.92Å; E1658-T1662 VanDerWaalsContact O-N 3.12Å; E1658-T1662 PolarHBondContact O-OG1 3.45Å; E1658-V1682 HydrophobicContact CB-CG1 4.34Å; E1658-V1682 HydrophobicContact CG-CG1 4.24Å; E1658-L1710 HydrophobicContact CG-CD1 4.43Å |
| 1659 | P | 67.3 | Low | 73.6 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -50.4 | -174.4 | -22.7 | 28.8 | 0 | 0 | 0 | 114.9 | N852 M1655 | N852-P1659 WeakPolarHBondContact ND2-CD 3.46Å; N852-P1659 WeakPolarHBondContact ND2-CG 3.37Å; M1655-P1659 WeakPolarHBondContact O-CA 3.27Å; M1655-P1659 WeakPolarHBondContact O-CB 3.48Å; M1655-P1659 VanDerWaalsContact O-CD 3.3Å; M1655-P1659 WeakPolarHBondContact O-CD 3.47Å; M1655-P1659 WeakPolarHBondContact O-CG 3.49Å; M1655-P1659 VanDerWaalsContact O-N 3.1Å |
| 1660 | E | 69.6 | Low | 72.8 | Confident | 123 Ų | 123 | 78 Ų | 78 | 58% | 0.575 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -17.3 | -174.6 | -58.5 | -172.4 | 155.3 | 0 | 0 | 112.9 | E1658 | E1658-E1660 PolarHBondContact O-N 2.91Š|
| 1661 | R | 76.6 | Confident | 71.4 | Confident | 125 Ų | 125 | 85.7 Ų | 85.7 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -18 | -175.2 | -55.3 | -162.4 | -172.6 | 147 | -9.7 | 113.7 | E1658 V1682 H1683 | E1658-R1661 HydrophobicContact CB-CB 4.33Å; E1658-R1661 PolarHBondContact O-N 3.19Å; E1658-R1661 IonicContact OE1-NH1 2.6Å; E1658-R1661 PolarHBondContact OE1-NH1 3.22Å; E1658-R1661 WeakPolarHBondContact OE2-CD 3.14Å; E1658-R1661 VanDerWaalsContact OE2-CG 3.3Å; E1658-R1661 WeakPolarHBondContact OE2-CG 3.3Å; E1658-R1661 IonicContact OE2-CZ 3.25Å; E1658-R1661 IonicContact OE2-NE 3.37Å; E1658-R1661 IonicContact OE2-NH1 2.92Å; E1658-R1661 PolarHBondContact OE2-NH1 2.97Å; R1661-V1682 HydrophobicContact CB-CG1 4.44Å; R1661-V1682 WeakPolarHBondContact O-CA 3.23Å; R1661-H1683 HydrophobicContact CB-CB 4.16Å; R1661-H1683 VanDerWaalsContact CD-O 3.32Å; R1661-H1683 WeakPolarHBondContact CD-O 3.45Å; R1661-H1683 PolarHBondContact O-N 3.32Å |
| 1662 | T | 80.7 | Confident | 69.8 | Low | 7 Ų | 7 | 89.5 Ų | 89.5 | 4% | 0.043 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 113.3 | -174.1 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | L1654 M1655 E1658 F1664 | L1654-T1662 HydrophobicContact CD2-CG2 3.65Å; L1654-T1662 HydrophobicContact CG-CG2 3.86Å; M1655-T1662 HydrophobicContact CG-CG2 3.99Å; E1658-T1662 WeakPolarHBondContact CB-OG1 3.28Å; E1658-T1662 VanDerWaalsContact O-CB 3.25Å; E1658-T1662 WeakPolarHBondContact O-CB 3.44Å; E1658-T1662 PolarHBondContact O-N 2.92Å; E1658-T1662 VanDerWaalsContact O-N 3.12Å; E1658-T1662 PolarHBondContact O-OG1 3.45Å; T1662-F1664 HydrophobicContact CG2-CD2 4.47Å; T1662-F1664 HydrophobicContact CG2-CE2 3.84Å; T1662-F1664 HydrophobicContact CG2-CZ 4.3Å |
| 1663 | T | 82.6 | Confident | 68.6 | Low | 63 Ų | 63 | 92.6 Ų | 92.6 | 39% | 0.387 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 149 | 171.1 | 61 | 0 | 0 | 0 | 0 | 111.7 | H1681 | T1663-H1681 PolarHBondContact N-O 2.83Å; T1663-H1681 PolarHBondContact O-N 3.11Å; T1663-H1681 PolarHBondContact OG1-O 2.93Å |
| 1664 | F | 82.5 | Confident | 67.4 | Low | 39 Ų | 39 | 90.1 Ų | 90.1 | 17% | 0.171 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.2 | 176.7 | -69.8 | -90.4 | 0 | 0 | 0 | 110.2 | V1651 L1654 M1655 T1662 V1678 A1680 K1699 A1703 | V1651-F1664 HydrophobicContact CG1-CE2 3.96Å; V1651-F1664 HydrophobicContact CG1-CZ 3.83Å; L1654-F1664 HydrophobicContact CD2-CZ 4.19Å; M1655-F1664 HydrophobicContact CE-CD2 4.46Å; M1655-F1664 HydrophobicContact CE-CE2 4.28Å; M1655-F1664 HydrophobicContact CG-CE2 4.3Å; M1655-F1664 HydrophobicContact SD-CE2 3.97Å; T1662-F1664 HydrophobicContact CG2-CD2 4.47Å; T1662-F1664 HydrophobicContact CG2-CE2 3.84Å; T1662-F1664 HydrophobicContact CG2-CZ 4.3Å; F1664-V1678 HydrophobicContact CD1-CG1 4.13Å; F1664-A1680 HydrophobicContact CD1-CB 3.94Å; F1664-A1680 HydrophobicContact CE1-CB 3.69Å; F1664-A1680 HydrophobicContact CZ-CB 4.4Å; F1664-K1699 HydrophobicContact CD1-CG 3.68Å; F1664-K1699 HydrophobicContact CE1-CG 3.68Å; F1664-K1699 HydrophobicContact CG-CG 4.27Å; F1664-K1699 HydrophobicContact CZ-CG 4.29Å; F1664-A1703 HydrophobicContact CE1-CB 4.43Å; F1664-A1703 HydrophobicContact CZ-CB 4.29Å |
| 1665 | R | 72.9 | Confident | 66.5 | Low | 164 Ų | 164 | 93.6 Ų | 93.6 | 62% | 0.619 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 156.9 | 176.4 | -75.8 | -169.8 | 173.2 | -165.8 | -1 | 112.4 | T1679 | R1665-T1679 PolarHBondContact N-O 2.87Å |
| 1666 | R | 59.3 | Low | 65.8 | Low | 156 Ų | 156 | 89.9 Ų | 89.9 | 59% | 0.589 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 152 | -174.9 | -158.5 | 175.7 | -172.1 | -170.2 | 1.1 | 112.4 | W578 | W578-R1666 VanDerWaalsContact CG-NH2 3.27Å; W578-R1666 HydrophobicContact CZ2-CG 4.31Å |
| 1667 | V | 63.9 | Low | 65.7 | Low | 42 Ų | 42 | 91.2 Ų | 91.2 | 26% | 0.255 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.2 | -172.8 | -166.2 | 0 | 0 | 0 | 0 | 112.4 | R1669 A1676 R1677 V1678 Y1695 | V1667-R1669 HydrophobicContact CG1-CG 4.1Å; V1667-A1676 HydrophobicContact CG1-CB 3.72Å; V1667-R1677 WeakPolarHBondContact CA-O 3.49Å; V1667-V1678 HydrophobicContact CG2-CG2 4.4Å; V1667-Y1695 HydrophobicContact CG2-CD2 3.25Å; V1667-Y1695 HydrophobicContact CG2-CE2 3.64Å; V1667-Y1695 HydrophobicContact CG2-CG 4.02Å |
| 1668 | E | 58.9 | Low | 65.9 | Low | 135 Ų | 135 | 87 Ų | 87 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 102 | 159.7 | -70 | -179.3 | 171.6 | 0 | 0 | 108.4 | N1670 R1677 | E1668-N1670 PolarHBondContact O-N 3.38Å; E1668-R1677 HydrophobicContact CB-CB 4.37Å; E1668-R1677 PolarHBondContact N-O 3.36Å; E1668-R1677 PolarHBondContact O-N 3.12Å |
| 1669 | R | 56.9 | Low | 66.1 | Low | 141 Ų | 141 | 87.1 Ų | 87.1 | 53% | 0.532 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 107.4 | 168.5 | -77.1 | -176.4 | 175.9 | 169.6 | -3.3 | 108 | D574 V1667 M1671 | D574-R1669 IonicContact OD2-CZ 3.5Å; D574-R1669 IonicContact OD2-NH2 3.11Å; D574-R1669 PolarHBondContact OD2-NH2 3.39Å; V1667-R1669 HydrophobicContact CG1-CG 4.1Å; R1669-M1671 PolarHBondContact O-N 2.96Å |
| 1670 | N | 53.6 | Low | 67 | Low | 66 Ų | 66 | 84.3 Ų | 84.3 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | trans | -74.5 | 99.7 | -176 | -169.3 | 7 | 0 | 0 | 0 | 110.6 | E1668 V1672 E1673 G1674 N1675 | E1668-N1670 PolarHBondContact O-N 3.38Å; N1670-V1672 PolarHBondContact O-N 2.87Å; N1670-E1673 HydrophobicContact CB-CB 4.49Å; N1670-E1673 PolarHBondContact ND2-OE2 3.41Å; N1670-E1673 PolarHBondContact O-N 2.68Å; N1670-G1674 PolarHBondContact O-N 2.87Å; N1670-N1675 PolarHBondContact N-O 2.93Å | ||
| 1671 | M | 47.7 | Very low | 67.9 | Low | 192 Ų | 192 | 80.5 Ų | 80.5 | 95% | 0.946 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -19.4 | -171.4 | -74 | -169.7 | 172.6 | 0 | 0 | 115.3 | R1669 | R1669-M1671 PolarHBondContact O-N 2.96Š|
| 1672 | V | 46.2 | Very low | 68.4 | Low | 100 Ų | 100 | 74.7 Ų | 74.7 | 61% | 0.606 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -22.9 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | K345 N1670 | K345-V1672 PolarHBondContact NZ-O 3.34Å; N1670-V1672 PolarHBondContact O-N 2.87Å |
| 1673 | E | 52 | Low | 68.4 | Low | 125 Ų | 125 | 79.1 Ų | 79.1 | 58% | 0.584 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | -28.1 | -169.6 | -64.5 | 176.6 | 160.5 | 0 | 0 | 113.2 | N1670 N1675 | N1670-E1673 HydrophobicContact CB-CB 4.49Å; N1670-E1673 PolarHBondContact ND2-OE2 3.41Å; N1670-E1673 PolarHBondContact O-N 2.68Å; E1673-N1675 VanDerWaalsContact C-N 3.25Å; E1673-N1675 PolarHBondContact O-N 3.17Å |
| 1674 | G | 55.1 | Low | 68.2 | Low | 57 Ų | 57 | 80.5 Ų | 80.5 | 59% | 0.588 | 41% | 0.41 | S | S | * | . | trans | 84.6 | -13.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1670 | N1670-G1674 PolarHBondContact O-N 2.87Š| ||
| 1675 | N | 61.3 | Low | 68.2 | Low | 73 Ų | 73 | 80.2 Ų | 80.2 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | trans | -70.6 | 144.4 | 176.8 | -70.5 | -29.4 | 0 | 0 | 0 | 112.2 | N1670 E1673 G1692 | N1670-N1675 PolarHBondContact N-O 2.93Å; E1673-N1675 VanDerWaalsContact C-N 3.25Å; E1673-N1675 PolarHBondContact O-N 3.17Å; N1675-G1692 WeakPolarHBondContact CA-O 3.37Å | ||
| 1676 | A | 64.8 | Low | 68.7 | Low | 4 Ų | 4 | 73.7 Ų | 73.7 | 3% | 0.033 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 137.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1667 A1691 G1692 A1698 | V1667-A1676 HydrophobicContact CG1-CB 3.72Å; A1676-A1691 WeakPolarHBondContact O-CA 3.33Å; A1676-G1692 PolarHBondContact N-O 2.86Å; A1676-G1692 PolarHBondContact O-N 3.03Å; A1676-A1698 HydrophobicContact CB-CB 4.4Å; A1676-A1698 WeakPolarHBondContact O-CB 3.32Å |
| 1677 | R | 73.7 | Confident | 70 | Confident | 123 Ų | 123 | 70.4 Ų | 70.4 | 46% | 0.464 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137 | 170.9 | -179.3 | 176.7 | -77.5 | 175.2 | -6.3 | 110.1 | V1667 E1668 G1690 | V1667-R1677 WeakPolarHBondContact CA-O 3.49Å; E1668-R1677 HydrophobicContact CB-CB 4.37Å; E1668-R1677 PolarHBondContact N-O 3.36Å; E1668-R1677 PolarHBondContact O-N 3.12Å; R1677-G1690 WeakPolarHBondContact CA-O 3.23Å |
| 1678 | V | 79.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.4 | -177.4 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | F1664 V1667 T1689 G1690 Y1695 A1698 K1699 | F1664-V1678 HydrophobicContact CD1-CG1 4.13Å; V1667-V1678 HydrophobicContact CG2-CG2 4.4Å; V1678-T1689 WeakPolarHBondContact O-CA 3.26Å; V1678-G1690 PolarHBondContact N-O 3.34Å; V1678-G1690 PolarHBondContact O-N 2.79Å; V1678-Y1695 HydrophobicContact CG1-CE2 4.18Å; V1678-Y1695 HydrophobicContact CG2-CD2 3.43Å; V1678-Y1695 VanDerWaalsContact CG2-CD2 3.43Å; V1678-Y1695 HydrophobicContact CG2-CE2 3.6Å; V1678-A1698 HydrophobicContact CB-CB 4.09Å; V1678-A1698 HydrophobicContact CG2-CB 3.63Å; V1678-K1699 HydrophobicContact CG1-CB 4.27Å; V1678-K1699 HydrophobicContact CG1-CG 4.39Å |
| 1679 | T | 84.1 | Confident | 72.2 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 115.5 | 177.2 | -46.7 | 0 | 0 | 0 | 0 | 109.9 | R1665 F1688 T1689 | R1665-T1679 PolarHBondContact N-O 2.87Å; T1679-F1688 WeakPolarHBondContact CA-O 3.37Å; T1679-T1689 HydrophobicContact CG2-CG2 3.97Å |
| 1680 | A | 86.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 136.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | F1664 T1687 F1688 A1702 | F1664-A1680 HydrophobicContact CD1-CB 3.94Å; F1664-A1680 HydrophobicContact CE1-CB 3.69Å; F1664-A1680 HydrophobicContact CZ-CB 4.4Å; A1680-T1687 CarbonylContact O-C 3.41Å; A1680-T1687 WeakPolarHBondContact O-CA 3.38Å; A1680-F1688 HydrophobicContact CB-CB 4.44Å; A1680-F1688 PolarHBondContact N-O 3.24Å; A1680-F1688 PolarHBondContact O-N 2.93Å; A1680-A1702 HydrophobicContact CB-CB 4.04Å |
| 1681 | H | 87.1 | Confident | 74 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 108 | -178.7 | -166.3 | 96.8 | 0 | 0 | 0 | 106.9 | T1663 H1683 T1687 | T1663-H1681 PolarHBondContact N-O 2.83Å; T1663-H1681 PolarHBondContact O-N 3.11Å; T1663-H1681 PolarHBondContact OG1-O 2.93Å; H1681-H1683 AromaticContact CD2-CE1 3.44Å; H1681-H1683 PolarHBondContact CD2-CE1 3.3Å; H1681-H1683 VanDerWaalsContact CD2-CE1 3.44Å; H1681-H1683 AromaticContact CD2-ND1 3.45Å; H1681-H1683 PolarHBondContact CD2-ND1 3.2Å; H1681-H1683 AromaticContact NE2-CE1 3.45Å; H1681-H1683 PolarHBondContact NE2-CE1 3.21Å; H1681-H1683 AromaticContact NE2-ND1 3.41Å; H1681-H1683 PolarHBondContact NE2-ND1 3.47Å; H1681-T1687 WeakPolarHBondContact ND1-CG2 3.17Å |
| 1682 | V | 87.7 | Confident | 74.6 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 105.4 | -178.9 | -175.2 | 0 | 0 | 0 | 0 | 106.9 | L1654 E1658 R1661 G1684 V1685 G1686 F1688 A1706 | L1654-V1682 HydrophobicContact CD1-CG2 4.28Å; L1654-V1682 HydrophobicContact CD2-CG2 4.34Å; E1658-V1682 HydrophobicContact CB-CG1 4.34Å; E1658-V1682 HydrophobicContact CG-CG1 4.24Å; R1661-V1682 HydrophobicContact CB-CG1 4.44Å; R1661-V1682 WeakPolarHBondContact O-CA 3.23Å; V1682-G1684 PolarHBondContact O-N 2.99Å; V1682-V1685 HydrophobicContact CB-CB 4.04Å; V1682-V1685 HydrophobicContact CG1-CB 3.78Å; V1682-V1685 HydrophobicContact CG1-CG1 4.47Å; V1682-V1685 HydrophobicContact CG1-CG2 3.83Å; V1682-V1685 PolarHBondContact O-N 3.04Å; V1682-G1686 PolarHBondContact N-O 3.41Å; V1682-G1686 PolarHBondContact O-N 3.43Å; V1682-F1688 HydrophobicContact CB-CE2 4.42Å; V1682-F1688 HydrophobicContact CG2-CD2 4.37Å; V1682-F1688 HydrophobicContact CG2-CE2 4.22Å; V1682-A1706 HydrophobicContact CG2-CB 4.28Å |
| 1683 | H | 80.4 | Confident | 75.3 | Confident | 100 Ų | 100 | 53.1 Ų | 53.1 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 135.7 | -176.1 | -77.4 | -44.8 | 0 | 0 | 0 | 111.4 | R1661 H1681 V1685 | R1661-H1683 HydrophobicContact CB-CB 4.16Å; R1661-H1683 VanDerWaalsContact CD-O 3.32Å; R1661-H1683 WeakPolarHBondContact CD-O 3.45Å; R1661-H1683 PolarHBondContact O-N 3.32Å; H1681-H1683 AromaticContact CD2-CE1 3.44Å; H1681-H1683 PolarHBondContact CD2-CE1 3.3Å; H1681-H1683 VanDerWaalsContact CD2-CE1 3.44Å; H1681-H1683 AromaticContact CD2-ND1 3.45Å; H1681-H1683 PolarHBondContact CD2-ND1 3.2Å; H1681-H1683 AromaticContact NE2-CE1 3.45Å; H1681-H1683 PolarHBondContact NE2-CE1 3.21Å; H1681-H1683 AromaticContact NE2-ND1 3.41Å; H1681-H1683 PolarHBondContact NE2-ND1 3.47Å; H1683-V1685 PolarHBondContact O-N 2.83Å |
| 1684 | G | 78.5 | Confident | 75.8 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 95% | 0.948 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | -10.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1682 | V1682-G1684 PolarHBondContact O-N 2.99Š|
| 1685 | V | 82.8 | Confident | 76.5 | Confident | 33 Ų | 33 | 48.1 Ų | 48.1 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -48.8 | -173.2 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | V1682 H1683 F1688 F1709 L1710 L1713 | V1682-V1685 HydrophobicContact CB-CB 4.04Å; V1682-V1685 HydrophobicContact CG1-CB 3.78Å; V1682-V1685 HydrophobicContact CG1-CG1 4.47Å; V1682-V1685 HydrophobicContact CG1-CG2 3.83Å; V1682-V1685 PolarHBondContact O-N 3.04Å; H1683-V1685 PolarHBondContact O-N 2.83Å; V1685-F1688 HydrophobicContact CG1-CE2 4.43Å; V1685-F1688 HydrophobicContact CG1-CZ 4.26Å; V1685-F1709 HydrophobicContact CG1-CD1 3.69Å; V1685-F1709 HydrophobicContact CG1-CE1 3.93Å; V1685-L1710 HydrophobicContact CG1-CD2 3.84Å; V1685-L1710 HydrophobicContact CG1-CG 4.36Å; V1685-L1710 HydrophobicContact CG2-CD2 3.98Å; V1685-L1713 HydrophobicContact CG1-CD1 4.04Å |
| 1686 | G | 83.2 | Confident | 76.7 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154 | -168.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V1682 | V1682-G1686 PolarHBondContact N-O 3.41Å; V1682-G1686 PolarHBondContact O-N 3.43Å |
| 1687 | T | 86.7 | Confident | 77 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.4 | -177.1 | 70.7 | 0 | 0 | 0 | 0 | 111.4 | A1680 H1681 | A1680-T1687 CarbonylContact O-C 3.41Å; A1680-T1687 WeakPolarHBondContact O-CA 3.38Å; H1681-T1687 WeakPolarHBondContact ND1-CG2 3.17Å |
| 1688 | F | 87.3 | Confident | 77 | Confident | 26 Ų | 26 | 50 Ų | 50 | 11% | 0.114 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 113.8 | -170.9 | -52.1 | -81.9 | 0 | 0 | 0 | 110 | T1679 A1680 V1682 V1685 R1705 A1706 F1709 | T1679-F1688 WeakPolarHBondContact CA-O 3.37Å; A1680-F1688 HydrophobicContact CB-CB 4.44Å; A1680-F1688 PolarHBondContact N-O 3.24Å; A1680-F1688 PolarHBondContact O-N 2.93Å; V1682-F1688 HydrophobicContact CB-CE2 4.42Å; V1682-F1688 HydrophobicContact CG2-CD2 4.37Å; V1682-F1688 HydrophobicContact CG2-CE2 4.22Å; V1685-F1688 HydrophobicContact CG1-CE2 4.43Å; V1685-F1688 HydrophobicContact CG1-CZ 4.26Å; F1688-R1705 HydrophobicContact CB-CB 4.17Å; F1688-R1705 HydrophobicContact CD1-CB 4.45Å; F1688-A1706 HydrophobicContact CB-CB 4.19Å; F1688-A1706 HydrophobicContact CD1-CB 4.46Å; F1688-A1706 HydrophobicContact CD2-CB 3.38Å; F1688-A1706 HydrophobicContact CE2-CB 3.84Å; F1688-A1706 HydrophobicContact CG-CB 3.74Å; F1688-F1709 HydrophobicContact CE1-CB 3.52Å; F1688-F1709 AromaticContact CE1-CD1 3.98Å; F1688-F1709 HydrophobicContact CE1-CD1 3.98Å; F1688-F1709 HydrophobicContact CE1-CD2 4.24Å; F1688-F1709 AromaticContact CE1-CG 3.67Å; F1688-F1709 HydrophobicContact CE1-CG 3.67Å; F1688-F1709 HydrophobicContact CZ-CB 3.76Å; F1688-F1709 AromaticContact CZ-CD1 3.59Å; F1688-F1709 HydrophobicContact CZ-CD1 3.59Å; F1688-F1709 HydrophobicContact CZ-CE1 4.31Å; F1688-F1709 AromaticContact CZ-CG 3.77Å; F1688-F1709 HydrophobicContact CZ-CG 3.77Å |
| 1689 | T | 82.4 | Confident | 77 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.7 | 177 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | V1678 T1679 R1705 | V1678-T1689 WeakPolarHBondContact O-CA 3.26Å; T1679-T1689 HydrophobicContact CG2-CG2 3.97Å; T1689-R1705 VanDerWaalsContact O-CD 3.27Å; T1689-R1705 WeakPolarHBondContact O-CD 3.48Å; T1689-R1705 PolarHBondContact O-NH1 3.42Å |
| 1690 | G | 76.4 | Confident | 76.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1677 V1678 | R1677-G1690 WeakPolarHBondContact CA-O 3.23Å; V1678-G1690 PolarHBondContact N-O 3.34Å; V1678-G1690 PolarHBondContact O-N 2.79Å |
| 1691 | A | 70.6 | Confident | 76.2 | Confident | 49 Ų | 49 | 54 Ų | 54 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A1676 | A1676-A1691 WeakPolarHBondContact O-CA 3.33Å |
| 1692 | G | 61.6 | Low | 76.1 | Confident | 12 Ų | 12 | 52 Ų | 52 | 12% | 0.124 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 173 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | N1675 A1676 C1694 | N1675-G1692 WeakPolarHBondContact CA-O 3.37Å; A1676-G1692 PolarHBondContact N-O 2.86Å; A1676-G1692 PolarHBondContact O-N 3.03Å; G1692-C1694 PolarHBondContact O-N 3.06Å |
| 1693 | R | 60.2 | Low | 76 | Confident | 160 Ų | 160 | 51.9 Ų | 51.9 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -65.3 | -19.4 | -178.6 | 61.7 | -179.8 | 172.7 | -157.8 | -3.1 | 115 | E1600 I1697 | E1600-R1693 IonicContact OE1-NH1 3.51Å; E1600-R1693 PolarHBondContact OE1-NH1 3.45Å; R1693-I1697 HydrophobicContact CG-CD1 3.66Å |
| 1694 | C | 62.6 | Low | 76.1 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 31% | 0.311 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -147.8 | 169.8 | 176 | 67.7 | 0 | 0 | 0 | 0 | 111 | G1692 R1696 I1697 A1698 | G1692-C1694 PolarHBondContact O-N 3.06Å; C1694-R1696 PolarHBondContact O-N 3.04Å; C1694-I1697 PolarHBondContact O-N 3.19Å; C1694-A1698 PolarHBondContact O-N 3.41Å; C1694-A1698 VanDerWaalsContact O-N 3.14Å |
| 1695 | Y | 68.6 | Low | 76.3 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.9 | -48.5 | -177.8 | 174 | -122.6 | 0 | 0 | 0 | 112.9 | E576 V1667 V1678 I1697 A1698 K1699 | E576-Y1695 HydrophobicContact CG-CE1 4.4Å; E576-Y1695 WeakPolarHBondContact OE1-CE1 3.45Å; E576-Y1695 PolarHBondContact OE1-OH 2.85Å; V1667-Y1695 HydrophobicContact CG2-CD2 3.25Å; V1667-Y1695 HydrophobicContact CG2-CE2 3.64Å; V1667-Y1695 HydrophobicContact CG2-CG 4.02Å; V1678-Y1695 HydrophobicContact CG1-CE2 4.18Å; V1678-Y1695 HydrophobicContact CG2-CD2 3.43Å; V1678-Y1695 VanDerWaalsContact CG2-CD2 3.43Å; V1678-Y1695 HydrophobicContact CG2-CE2 3.6Å; Y1695-I1697 VanDerWaalsContact C-N 3.34Å; Y1695-I1697 PolarHBondContact O-N 3.27Å; Y1695-A1698 PolarHBondContact O-N 3.23Å; Y1695-K1699 HydrophobicContact CE1-CD 4Å; Y1695-K1699 HydrophobicContact CE2-CB 4.44Å; Y1695-K1699 HydrophobicContact CE2-CD 4.32Å; Y1695-K1699 WeakPolarHBondContact O-CB 3.43Å; Y1695-K1699 PolarHBondContact O-N 2.89Å; Y1695-K1699 WeakPolarHBondContact OH-CE 3.41Å; Y1695-K1699 PolarHBondContact OH-NZ 2.93Å |
| 1696 | R | 66.3 | Low | 76.5 | Confident | 181 Ų | 181 | 49.8 Ų | 49.8 | 68% | 0.683 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -55.6 | -46.3 | -178.6 | -174 | 171.4 | 177.1 | 158.5 | -2 | 112 | C1694 K1699 T1700 | C1694-R1696 PolarHBondContact O-N 3.04Å; R1696-K1699 PolarHBondContact O-N 3.44Å; R1696-T1700 PolarHBondContact O-N 2.96Å; R1696-T1700 PolarHBondContact O-OG1 3.31Å; R1696-T1700 VanDerWaalsContact O-OG1 3.08Å |
| 1697 | I | 72 | Confident | 76.6 | Confident | 59 Ų | 59 | 50 Ų | 50 | 30% | 0.303 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -47.8 | 178.8 | -66.9 | 168.8 | 0 | 0 | 0 | 110.7 | R1693 C1694 Y1695 K1699 T1700 T1701 | R1693-I1697 HydrophobicContact CG-CD1 3.66Å; C1694-I1697 PolarHBondContact O-N 3.19Å; Y1695-I1697 VanDerWaalsContact C-N 3.34Å; Y1695-I1697 PolarHBondContact O-N 3.27Å; I1697-K1699 VanDerWaalsContact C-N 3.3Å; I1697-K1699 PolarHBondContact O-N 3Å; I1697-T1700 PolarHBondContact O-N 3.21Å; I1697-T1700 VanDerWaalsContact O-N 3.16Å; I1697-T1701 PolarHBondContact O-N 3.02Å; I1697-T1701 PolarHBondContact O-OG1 3.02Å; I1697-T1701 VanDerWaalsContact O-OG1 3.08Å |
| 1698 | A | 72.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -38.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1676 V1678 C1694 Y1695 T1701 A1702 | A1676-A1698 HydrophobicContact CB-CB 4.4Å; A1676-A1698 WeakPolarHBondContact O-CB 3.32Å; V1678-A1698 HydrophobicContact CB-CB 4.09Å; V1678-A1698 HydrophobicContact CG2-CB 3.63Å; C1694-A1698 PolarHBondContact O-N 3.41Å; C1694-A1698 VanDerWaalsContact O-N 3.14Å; Y1695-A1698 PolarHBondContact O-N 3.23Å; A1698-T1701 PolarHBondContact O-N 3.29Å; A1698-A1702 WeakPolarHBondContact O-CB 3.33Å; A1698-A1702 PolarHBondContact O-N 2.89Å |
| 1699 | K | 79.8 | Confident | 76.2 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.3 | -165.2 | 180 | -167.3 | 163.7 | 0 | 111.7 | V1651 F1664 V1678 Y1695 R1696 I1697 A1702 A1703 | V1651-K1699 HydrophobicContact CG1-CD 4.37Å; V1651-K1699 HydrophobicContact CG1-CG 4.44Å; V1651-K1699 HydrophobicContact CG2-CD 4.49Å; V1651-K1699 HydrophobicContact CG2-CG 4.03Å; F1664-K1699 HydrophobicContact CD1-CG 3.68Å; F1664-K1699 HydrophobicContact CE1-CG 3.68Å; F1664-K1699 HydrophobicContact CG-CG 4.27Å; F1664-K1699 HydrophobicContact CZ-CG 4.29Å; V1678-K1699 HydrophobicContact CG1-CB 4.27Å; V1678-K1699 HydrophobicContact CG1-CG 4.39Å; Y1695-K1699 HydrophobicContact CE1-CD 4Å; Y1695-K1699 HydrophobicContact CE2-CB 4.44Å; Y1695-K1699 HydrophobicContact CE2-CD 4.32Å; Y1695-K1699 WeakPolarHBondContact O-CB 3.43Å; Y1695-K1699 PolarHBondContact O-N 2.89Å; Y1695-K1699 WeakPolarHBondContact OH-CE 3.41Å; Y1695-K1699 PolarHBondContact OH-NZ 2.93Å; R1696-K1699 PolarHBondContact O-N 3.44Å; I1697-K1699 VanDerWaalsContact C-N 3.3Å; I1697-K1699 PolarHBondContact O-N 3Å; K1699-A1702 PolarHBondContact O-N 3.36Å; K1699-A1703 WeakPolarHBondContact O-CB 3.42Å; K1699-A1703 PolarHBondContact O-N 3.35Å |
| 1700 | T | 77.3 | Confident | 76.3 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.1 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | P1650 R1696 I1697 A1703 K1704 | P1650-T1700 HydrophobicContact CB-CG2 4.17Å; P1650-T1700 HydrophobicContact CG-CG2 3.91Å; R1696-T1700 PolarHBondContact O-N 2.96Å; R1696-T1700 PolarHBondContact O-OG1 3.31Å; R1696-T1700 VanDerWaalsContact O-OG1 3.08Å; I1697-T1700 PolarHBondContact O-N 3.21Å; I1697-T1700 VanDerWaalsContact O-N 3.16Å; T1700-A1703 PolarHBondContact O-N 3.03Å; T1700-K1704 HydrophobicContact CG2-CG 4.5Å; T1700-K1704 WeakPolarHBondContact O-CG 3.47Å; T1700-K1704 PolarHBondContact O-N 2.98Å |
| 1701 | T | 77.8 | Confident | 76.6 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 28% | 0.282 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.4 | -55 | 0 | 0 | 0 | 0 | 111.8 | I1697 A1698 K1704 R1705 | I1697-T1701 PolarHBondContact O-N 3.02Å; I1697-T1701 PolarHBondContact O-OG1 3.02Å; I1697-T1701 VanDerWaalsContact O-OG1 3.08Å; A1698-T1701 PolarHBondContact O-N 3.29Å; T1701-K1704 PolarHBondContact O-N 3.02Å; T1701-R1705 PolarHBondContact O-N 2.99Å; T1701-R1705 VanDerWaalsContact O-N 3.14Å |
| 1702 | A | 83.9 | Confident | 77 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1680 A1698 K1699 R1705 A1706 | A1680-A1702 HydrophobicContact CB-CB 4.04Å; A1698-A1702 WeakPolarHBondContact O-CB 3.33Å; A1698-A1702 PolarHBondContact O-N 2.89Å; K1699-A1702 PolarHBondContact O-N 3.36Å; A1702-R1705 PolarHBondContact O-N 3.45Å; A1702-A1706 PolarHBondContact O-N 2.92Å; A1702-A1706 VanDerWaalsContact O-N 3.08Å |
| 1703 | A | 85.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1650 V1651 L1654 F1664 K1699 T1700 R1705 A1706 L1707 | P1650-A1703 HydrophobicContact CB-CB 4.42Å; P1650-A1703 WeakPolarHBondContact O-CB 3.46Å; V1651-A1703 HydrophobicContact CB-CB 4.45Å; V1651-A1703 HydrophobicContact CG2-CB 3.99Å; L1654-A1703 HydrophobicContact CB-CB 4.49Å; L1654-A1703 HydrophobicContact CD2-CB 4.07Å; F1664-A1703 HydrophobicContact CE1-CB 4.43Å; F1664-A1703 HydrophobicContact CZ-CB 4.29Å; K1699-A1703 WeakPolarHBondContact O-CB 3.42Å; K1699-A1703 PolarHBondContact O-N 3.35Å; T1700-A1703 PolarHBondContact O-N 3.03Å; A1703-R1705 VanDerWaalsContact C-N 3.27Å; A1703-R1705 PolarHBondContact O-N 3.35Å; A1703-A1706 PolarHBondContact O-N 2.82Å; A1703-L1707 WeakPolarHBondContact O-CB 3.39Å; A1703-L1707 WeakPolarHBondContact O-CG 3.46Å; A1703-L1707 PolarHBondContact O-N 3.07Å |
| 1704 | K | 82.6 | Confident | 78.6 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -40.8 | 172.8 | -76.9 | -172.6 | 177 | -169.7 | 0 | 111.8 | Y1586 P1650 T1700 T1701 R1708 | Y1586-K1704 VanDerWaalsContact CE2-NZ 3.31Å; P1650-K1704 HydrophobicContact CB-CG 3.77Å; P1650-K1704 HydrophobicContact CG-CG 3.91Å; T1700-K1704 HydrophobicContact CG2-CG 4.5Å; T1700-K1704 WeakPolarHBondContact O-CG 3.47Å; T1700-K1704 PolarHBondContact O-N 2.98Å; T1701-K1704 PolarHBondContact O-N 3.02Å; K1704-R1708 WeakPolarHBondContact O-CG 3.3Å; K1704-R1708 PolarHBondContact O-N 3.22Å; K1704-R1708 VanDerWaalsContact O-N 3.17Å |
| 1705 | R | 83.4 | Confident | 79.2 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 51% | 0.506 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 175.8 | -76.3 | 175.2 | 165.3 | -174 | -10 | 112.3 | F1688 T1689 T1701 A1702 A1703 R1708 F1709 | F1688-R1705 HydrophobicContact CB-CB 4.17Å; F1688-R1705 HydrophobicContact CD1-CB 4.45Å; T1689-R1705 VanDerWaalsContact O-CD 3.27Å; T1689-R1705 WeakPolarHBondContact O-CD 3.48Å; T1689-R1705 PolarHBondContact O-NH1 3.42Å; T1701-R1705 PolarHBondContact O-N 2.99Å; T1701-R1705 VanDerWaalsContact O-N 3.14Å; A1702-R1705 PolarHBondContact O-N 3.45Å; A1703-R1705 VanDerWaalsContact C-N 3.27Å; A1703-R1705 PolarHBondContact O-N 3.35Å; R1705-R1708 PolarHBondContact O-N 3.01Å; R1705-F1709 PolarHBondContact O-N 2.95Å |
| 1706 | A | 86.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1654 V1682 F1688 A1702 A1703 R1708 F1709 L1710 | L1654-A1706 HydrophobicContact CD1-CB 3.75Å; L1654-A1706 HydrophobicContact CD2-CB 3.71Å; L1654-A1706 HydrophobicContact CG-CB 4.41Å; V1682-A1706 HydrophobicContact CG2-CB 4.28Å; F1688-A1706 HydrophobicContact CB-CB 4.19Å; F1688-A1706 HydrophobicContact CD1-CB 4.46Å; F1688-A1706 HydrophobicContact CD2-CB 3.38Å; F1688-A1706 HydrophobicContact CE2-CB 3.84Å; F1688-A1706 HydrophobicContact CG-CB 3.74Å; A1702-A1706 PolarHBondContact O-N 2.92Å; A1702-A1706 VanDerWaalsContact O-N 3.08Å; A1703-A1706 PolarHBondContact O-N 2.82Å; A1706-R1708 PolarHBondContact O-N 3.09Å; A1706-F1709 PolarHBondContact O-N 3.47Å; A1706-L1710 PolarHBondContact O-N 3.04Å |
| 1707 | L | 84.3 | Confident | 79.6 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 177.6 | -74.7 | 175.6 | 0 | 0 | 0 | 112.8 | P1650 K1653 L1654 M1657 A1703 L1710 K1711 | P1650-L1707 HydrophobicContact CB-CD1 3.97Å; P1650-L1707 WeakPolarHBondContact O-CD1 3.42Å; K1653-L1707 HydrophobicContact CB-CD1 4.36Å; K1653-L1707 HydrophobicContact CG-CD2 4.43Å; L1654-L1707 HydrophobicContact CB-CD2 4.02Å; L1654-L1707 HydrophobicContact CB-CG 4.22Å; L1654-L1707 HydrophobicContact CD1-CD2 4.07Å; L1654-L1707 HydrophobicContact CD1-CG 4.35Å; M1657-L1707 HydrophobicContact CE-CD2 3.3Å; A1703-L1707 WeakPolarHBondContact O-CB 3.39Å; A1703-L1707 WeakPolarHBondContact O-CG 3.46Å; A1703-L1707 PolarHBondContact O-N 3.07Å; L1707-L1710 PolarHBondContact O-N 3.2Å; L1707-K1711 WeakPolarHBondContact O-CB 3.44Å; L1707-K1711 PolarHBondContact O-N 3.39Å |
| 1708 | R | 82.5 | Confident | 79.2 | Confident | 119 Ų | 119 | 69.6 Ų | 69.6 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.7 | -75.3 | 179.5 | -179.4 | -167.3 | -4.1 | 112.2 | K1704 R1705 A1706 K1711 R1712 | K1704-R1708 WeakPolarHBondContact O-CG 3.3Å; K1704-R1708 PolarHBondContact O-N 3.22Å; K1704-R1708 VanDerWaalsContact O-N 3.17Å; R1705-R1708 PolarHBondContact O-N 3.01Å; A1706-R1708 PolarHBondContact O-N 3.09Å; R1708-K1711 PolarHBondContact O-N 3.19Å; R1708-R1712 WeakPolarHBondContact O-CG 3.41Å; R1708-R1712 PolarHBondContact O-N 3Å |
| 1709 | F | 84 | Confident | 78.5 | Confident | 91 Ų | 91 | 74.5 Ų | 74.5 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 178.2 | -167.6 | -99 | 0 | 0 | 0 | 111.6 | V1685 F1688 R1705 A1706 K1711 R1712 L1713 | V1685-F1709 HydrophobicContact CG1-CD1 3.69Å; V1685-F1709 HydrophobicContact CG1-CE1 3.93Å; F1688-F1709 HydrophobicContact CE1-CB 3.52Å; F1688-F1709 AromaticContact CE1-CD1 3.98Å; F1688-F1709 HydrophobicContact CE1-CD1 3.98Å; F1688-F1709 HydrophobicContact CE1-CD2 4.24Å; F1688-F1709 AromaticContact CE1-CG 3.67Å; F1688-F1709 HydrophobicContact CE1-CG 3.67Å; F1688-F1709 HydrophobicContact CZ-CB 3.76Å; F1688-F1709 AromaticContact CZ-CD1 3.59Å; F1688-F1709 HydrophobicContact CZ-CD1 3.59Å; F1688-F1709 HydrophobicContact CZ-CE1 4.31Å; F1688-F1709 AromaticContact CZ-CG 3.77Å; F1688-F1709 HydrophobicContact CZ-CG 3.77Å; R1705-F1709 PolarHBondContact O-N 2.95Å; A1706-F1709 PolarHBondContact O-N 3.47Å; F1709-K1711 VanDerWaalsContact C-N 3.31Å; F1709-K1711 PolarHBondContact O-N 3Å; F1709-R1712 PolarHBondContact O-N 3.39Å; F1709-L1713 HydrophobicContact CD1-CD1 3.76Å; F1709-L1713 HydrophobicContact CD1-CG 4.26Å; F1709-L1713 HydrophobicContact CE1-CD1 3.6Å; F1709-L1713 HydrophobicContact CE1-CG 4.12Å; F1709-L1713 HydrophobicContact CZ-CD1 4.49Å; F1709-L1713 WeakPolarHBondContact O-CG 3.34Å; F1709-L1713 PolarHBondContact O-N 2.95Å |
| 1710 | L | 84.2 | Confident | 77.2 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 172.2 | -75.4 | 170 | 0 | 0 | 0 | 112.5 | L1654 M1657 E1658 V1685 A1706 L1707 R1714 | L1654-L1710 HydrophobicContact CD1-CD1 3.48Å; L1654-L1710 VanDerWaalsContact CD1-CD1 3.48Å; M1657-L1710 HydrophobicContact CE-CD1 4.24Å; E1658-L1710 HydrophobicContact CG-CD1 4.43Å; V1685-L1710 HydrophobicContact CG1-CD2 3.84Å; V1685-L1710 HydrophobicContact CG1-CG 4.36Å; V1685-L1710 HydrophobicContact CG2-CD2 3.98Å; A1706-L1710 PolarHBondContact O-N 3.04Å; L1707-L1710 PolarHBondContact O-N 3.2Å; L1710-R1714 PolarHBondContact O-N 3.22Å; L1710-R1714 VanDerWaalsContact O-N 3.09Å |
| 1711 | K | 82.4 | Confident | 75.8 | Confident | 137 Ų | 137 | 80.1 Ų | 80.1 | 60% | 0.596 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.6 | -51.6 | 175.6 | -161.5 | -156.9 | 169.6 | -161.3 | 0 | 111.1 | L1707 R1708 F1709 L1713 R1714 D1715 | L1707-K1711 WeakPolarHBondContact O-CB 3.44Å; L1707-K1711 PolarHBondContact O-N 3.39Å; R1708-K1711 PolarHBondContact O-N 3.19Å; F1709-K1711 VanDerWaalsContact C-N 3.31Å; F1709-K1711 PolarHBondContact O-N 3Å; K1711-L1713 VanDerWaalsContact C-N 3.29Å; K1711-L1713 PolarHBondContact O-N 3.18Å; K1711-R1714 PolarHBondContact O-N 2.74Å; K1711-D1715 VanDerWaalsContact CE-OD2 3.28Å; K1711-D1715 WeakPolarHBondContact CE-OD2 3.47Å; K1711-D1715 IonicContact NZ-OD2 4Å; K1711-D1715 PolarHBondContact O-N 2.93Å |
| 1712 | R | 80.2 | Confident | 73.9 | Confident | 177 Ų | 177 | 88.8 Ų | 88.8 | 67% | 0.668 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -55.4 | -41.1 | 177.2 | -76 | -179.6 | 174.6 | 173.2 | -2.1 | 112.4 | R1708 F1709 D1715 Q1716 | R1708-R1712 WeakPolarHBondContact O-CG 3.41Å; R1708-R1712 PolarHBondContact O-N 3Å; F1709-R1712 PolarHBondContact O-N 3.39Å; R1712-D1715 PolarHBondContact O-N 2.99Å; R1712-Q1716 WeakPolarHBondContact O-CB 3.23Å; R1712-Q1716 VanDerWaalsContact O-CG 3.29Å; R1712-Q1716 WeakPolarHBondContact O-CG 3.44Å; R1712-Q1716 PolarHBondContact O-N 2.92Å |
| 1713 | L | 80.3 | Confident | 73.4 | Confident | 69 Ų | 69 | 93.3 Ų | 93.3 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.9 | -75.7 | 174.5 | 0 | 0 | 0 | 112.9 | V1685 F1709 K1711 A1717 | V1685-L1713 HydrophobicContact CG1-CD1 4.04Å; F1709-L1713 HydrophobicContact CD1-CD1 3.76Å; F1709-L1713 HydrophobicContact CD1-CG 4.26Å; F1709-L1713 HydrophobicContact CE1-CD1 3.6Å; F1709-L1713 HydrophobicContact CE1-CG 4.12Å; F1709-L1713 HydrophobicContact CZ-CD1 4.49Å; F1709-L1713 WeakPolarHBondContact O-CG 3.34Å; F1709-L1713 PolarHBondContact O-N 2.95Å; K1711-L1713 VanDerWaalsContact C-N 3.29Å; K1711-L1713 PolarHBondContact O-N 3.18Å; L1713-A1717 WeakPolarHBondContact O-CB 3.27Å; L1713-A1717 PolarHBondContact O-N 2.83Å |
| 1714 | R | 74.7 | Confident | 72.7 | Confident | 167 Ų | 167 | 98.2 Ų | 98.2 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.6 | -42.1 | 176.1 | 175.5 | 175.9 | -81.1 | 179.1 | -4 | 111.7 | L1710 K1711 A1717 N1718 | L1710-R1714 PolarHBondContact O-N 3.22Å; L1710-R1714 VanDerWaalsContact O-N 3.09Å; K1711-R1714 PolarHBondContact O-N 2.74Å; R1714-A1717 PolarHBondContact O-N 3.28Å; R1714-N1718 WeakPolarHBondContact O-CB 3.4Å; R1714-N1718 VanDerWaalsContact O-CG 3.27Å; R1714-N1718 PolarHBondContact O-N 3.2Å |
| 1715 | D | 75.1 | Confident | 72.2 | Confident | 67 Ų | 67 | 101 Ų | 101 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 179.1 | -62.1 | -22.8 | 0 | 0 | 0 | 110.2 | K1711 R1712 N1718 C1719 | K1711-D1715 VanDerWaalsContact CE-OD2 3.28Å; K1711-D1715 WeakPolarHBondContact CE-OD2 3.47Å; K1711-D1715 IonicContact NZ-OD2 4Å; K1711-D1715 PolarHBondContact O-N 2.93Å; R1712-D1715 PolarHBondContact O-N 2.99Å; D1715-N1718 PolarHBondContact O-N 3.37Å; D1715-C1719 PolarHBondContact O-N 3.14Å; D1715-C1719 VanDerWaalsContact O-N 3.08Å; D1715-C1719 PolarHBondContact O-SG 3.46Å |
| 1716 | Q | 73.2 | Confident | 71.5 | Confident | 134 Ų | 134 | 99.1 Ų | 99.1 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 172.1 | -75.7 | 175.4 | -18.2 | 0 | 0 | 113 | R1712 N1718 C1719 S1720 | R1712-Q1716 WeakPolarHBondContact O-CB 3.23Å; R1712-Q1716 VanDerWaalsContact O-CG 3.29Å; R1712-Q1716 WeakPolarHBondContact O-CG 3.44Å; R1712-Q1716 PolarHBondContact O-N 2.92Å; Q1716-N1718 VanDerWaalsContact C-N 3.34Å; Q1716-N1718 PolarHBondContact O-N 3.46Å; Q1716-C1719 PolarHBondContact O-N 3.29Å; Q1716-S1720 PolarHBondContact O-N 2.9Å; Q1716-S1720 VanDerWaalsContact O-N 3.09Å; Q1716-S1720 PolarHBondContact O-OG 3.2Å |
| 1717 | A | 69.7 | Low | 70.6 | Confident | 52 Ų | 52 | 105.3 Ų | 105.3 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1713 R1714 S1720 S1721 | L1713-A1717 WeakPolarHBondContact O-CB 3.27Å; L1713-A1717 PolarHBondContact O-N 2.83Å; R1714-A1717 PolarHBondContact O-N 3.28Å; A1717-S1720 WeakPolarHBondContact CA-OG 3.49Å; A1717-S1720 CarbonylContact O-C 3.5Å; A1717-S1720 PolarHBondContact O-N 3.45Å; A1717-S1720 VanDerWaalsContact O-N 3.1Å; A1717-S1720 PolarHBondContact O-OG 3.44Å; A1717-S1721 PolarHBondContact O-N 3.09Å |
| 1718 | N | 65 | Low | 69.7 | Low | 89 Ų | 89 | 110.3 Ų | 110.3 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.4 | -46.1 | 175.3 | -71.6 | -12.8 | 0 | 0 | 0 | 111.5 | R1714 D1715 Q1716 S1720 S1721 M1722 | R1714-N1718 WeakPolarHBondContact O-CB 3.4Å; R1714-N1718 VanDerWaalsContact O-CG 3.27Å; R1714-N1718 PolarHBondContact O-N 3.2Å; D1715-N1718 PolarHBondContact O-N 3.37Å; Q1716-N1718 VanDerWaalsContact C-N 3.34Å; Q1716-N1718 PolarHBondContact O-N 3.46Å; N1718-S1720 PolarHBondContact O-N 3.48Å; N1718-S1721 WeakPolarHBondContact CA-OG 3.49Å; N1718-S1721 PolarHBondContact O-N 3.12Å; N1718-S1721 PolarHBondContact O-OG 3.4Å; N1718-M1722 PolarHBondContact O-N 3.44Å |
| 1719 | C | 56 | Low | 68.8 | Low | 103 Ų | 103 | 109.6 Ų | 109.6 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.6 | -7.8 | 175.6 | -71.7 | 0 | 0 | 0 | 0 | 114.8 | D1715 Q1716 | D1715-C1719 PolarHBondContact O-N 3.14Å; D1715-C1719 VanDerWaalsContact O-N 3.08Å; D1715-C1719 PolarHBondContact O-SG 3.46Å; Q1716-C1719 PolarHBondContact O-N 3.29Å |
| 1720 | S | 53.9 | Low | 67.6 | Low | 100 Ų | 100 | 111.1 Ų | 111.1 | 70% | 0.699 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 5.7 | 169 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | Q1716 A1717 N1718 | Q1716-S1720 PolarHBondContact O-N 2.9Å; Q1716-S1720 VanDerWaalsContact O-N 3.09Å; Q1716-S1720 PolarHBondContact O-OG 3.2Å; A1717-S1720 WeakPolarHBondContact CA-OG 3.49Å; A1717-S1720 CarbonylContact O-C 3.5Å; A1717-S1720 PolarHBondContact O-N 3.45Å; A1717-S1720 VanDerWaalsContact O-N 3.1Å; A1717-S1720 PolarHBondContact O-OG 3.44Å; N1718-S1720 PolarHBondContact O-N 3.48Å |
| 1721 | S | 47.1 | Very low | 66.2 | Low | 93 Ų | 93 | 118.1 Ų | 118.1 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -4.2 | 175.8 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | A1717 N1718 | A1717-S1721 PolarHBondContact O-N 3.09Å; N1718-S1721 WeakPolarHBondContact CA-OG 3.49Å; N1718-S1721 PolarHBondContact O-N 3.12Å; N1718-S1721 PolarHBondContact O-OG 3.4Å |
| 1722 | M | 36.8 | Very low | 64.7 | Low | 229 Ų | 229 | 116.4 Ų | 116.4 | 100% | 1.128 | 61% | 0.611 | S | S | * | * | trans | -100.7 | 0 | 165.2 | -74.8 | -173.9 | 159.3 | 0 | 0 | 110 | N1718 | N1718-M1722 PolarHBondContact O-N 3.44Š|
Retrieved 1,722 of 1,722 residues in 522.7 ms
(Link to these results)