| 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 | 44.3 | Very low | 85.9 | Confident | 243 Ų | 243 | 98.7 Ų | 98.7 | 100% | 1.197 | 54% | 0.535 | S | S | * | . | 0 | 129.1 | 0 | -69.2 | -177.3 | -122.2 | 0 | 0 | 106.1 | E3 | M1-E3 PolarHBondContact O-N 3.29Š| |||
| 2 | S | 59.9 | Low | 87 | Confident | 119 Ų | 119 | 95.2 Ų | 95.2 | 83% | 0.832 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 128.7 | 172.8 | 50.9 | 0 | 0 | 0 | 0 | 107.9 | T4 | S2-T4 PolarHBondContact O-N 3.15Š|
| 3 | E | 78.1 | Confident | 87.9 | Confident | 178 Ų | 178 | 96.7 Ų | 96.7 | 83% | 0.832 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 137.8 | 173.4 | -79.5 | 177.3 | 145.9 | 0 | 0 | 109.9 | M1 | M1-E3 PolarHBondContact O-N 3.29Š|
| 4 | T | 88.2 | Confident | 88.6 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 147.4 | 174.4 | 47.5 | 0 | 0 | 0 | 0 | 109.7 | S2 Q8 R324 | S2-T4 PolarHBondContact O-N 3.15Å; T4-Q8 VanDerWaalsContact CB-OE1 3.26Å; T4-R324 PolarHBondContact O-NH1 2.83Å; T4-R324 PolarHBondContact O-NH2 3.5Å; T4-R324 PolarHBondContact OG1-NH1 3.34Å; T4-R324 PolarHBondContact OG1-NH2 3.02Å; T4-R324 VanDerWaalsContact OG1-NH2 3.11Å |
| 5 | A | 92.9 | Very high | 89.3 | Confident | 48 Ų | 48 | 91.2 Ų | 91.2 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 145.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | W7 Q8 R324 | A5-W7 PolarHBondContact O-N 3Å; A5-W7 VanDerWaalsContact O-N 3.13Å; A5-Q8 HydrophobicContact CB-CG 4.48Å; A5-Q8 VanDerWaalsContact N-OE1 3.16Å; A5-Q8 VanDerWaalsContact O-CB 3.31Å; A5-Q8 WeakPolarHBondContact O-CB 3.42Å; A5-Q8 PolarHBondContact O-N 3.44Å; A5-R324 PolarHBondContact O-NH1 3.46Å |
| 6 | S | 94.8 | Very high | 89.9 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.5 | -171.3 | 54 | 0 | 0 | 0 | 0 | 114.7 | Q8 | S6-Q8 PolarHBondContact O-N 3.37Š|
| 7 | W | 96.4 | Very high | 90.4 | Very high | 193 Ų | 193 | 90.5 Ų | 90.5 | 73% | 0.731 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.4 | 174.3 | 72.5 | -95.8 | 0 | 0 | 0 | 113.4 | A5 | A5-W7 PolarHBondContact O-N 3Å; A5-W7 VanDerWaalsContact O-N 3.13Å |
| 8 | Q | 97.9 | Very high | 90.9 | Very high | 66 Ų | 66 | 91.4 Ų | 91.4 | 31% | 0.308 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -78 | 147.4 | 179.3 | -60.5 | -173.7 | -84.3 | 0 | 0 | 110.4 | T4 A5 S6 R324 | T4-Q8 VanDerWaalsContact CB-OE1 3.26Å; A5-Q8 HydrophobicContact CB-CG 4.48Å; A5-Q8 VanDerWaalsContact N-OE1 3.16Å; A5-Q8 VanDerWaalsContact O-CB 3.31Å; A5-Q8 WeakPolarHBondContact O-CB 3.42Å; A5-Q8 PolarHBondContact O-N 3.44Å; S6-Q8 PolarHBondContact O-N 3.37Å; Q8-R324 PolarHBondContact O-NH1 3.2Å |
| 9 | P | 97.7 | Very high | 91.3 | Very high | 39 Ų | 39 | 88.4 Ų | 88.4 | 25% | 0.253 | 48% | 0.476 | S | S | . | . | trans | -61 | 150.3 | 175.6 | 27.9 | -36 | 0 | 0 | 0 | 111.5 | I13 A319 F320 | P9-I13 HydrophobicContact CG-CD1 4.39Å; P9-A319 CarbonylContact C-O 3.56Å; P9-A319 WeakPolarHBondContact CA-O 3.43Å; P9-A319 WeakPolarHBondContact CB-O 3.49Å; P9-F320 HydrophobicContact CB-CE1 4.28Å; P9-F320 HydrophobicContact CB-CZ 4.38Å | ||
| 10 | S | 97.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 87 Ų | 87 | 22% | 0.217 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -70.4 | -40.3 | 173.4 | 46 | 0 | 0 | 0 | 0 | 111.5 | A315 I318 A319 S321 | S10-A315 CarbonylContact C-O 3.49Å; S10-A315 VanDerWaalsContact CB-O 3.23Å; S10-A315 WeakPolarHBondContact CB-O 3.37Å; S10-A315 PolarHBondContact OG-O 3.44Å; S10-I318 PolarHBondContact OG-O 3.36Å; S10-A319 PolarHBondContact N-O 3.34Å; S10-A319 PolarHBondContact OG-O 2.96Å; S10-S321 WeakPolarHBondContact CB-OG 3.47Å; S10-S321 PolarHBondContact OG-N 3.44Å |
| 11 | A | 98.1 | Very high | 92 | Very high | 2 Ų | 2 | 85.6 Ų | 85.6 | 2% | 0.017 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -82 | 145.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L16 A315 E316 I318 | A11-L16 HydrophobicContact CB-CD2 3.75Å; A11-L16 HydrophobicContact CB-CG 4.07Å; A11-A315 PolarHBondContact N-O 3.04Å; A11-E316 WeakPolarHBondContact CB-O 3.39Å; A11-I318 WeakPolarHBondContact CB-O 3.45Å; A11-I318 PolarHBondContact N-O 3.4Å |
| 12 | S | 98.3 | Very high | 94.6 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 39% | 0.392 | 42% | 0.423 | S | S | . | . | trans | -66.4 | 147.5 | 170.3 | 77.7 | 0 | 0 | 0 | 0 | 111.2 | P14 N15 L16 | S12-P14 VanDerWaalsContact C-N 3.32Å; S12-N15 WeakPolarHBondContact O-CB 3.42Å; S12-N15 PolarHBondContact O-N 3.24Å; S12-N15 PolarHBondContact OG-N 3Å; S12-L16 PolarHBondContact O-N 3.37Å | ||
| 13 | I | 98.5 | Very high | 96.5 | Very high | 115 Ų | 115 | 70.4 Ų | 70.4 | 59% | 0.59 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -55.4 | -41 | 175 | -57.5 | -57.4 | 0 | 0 | 0 | 112.5 | P9 N15 L16 L17 | P9-I13 HydrophobicContact CG-CD1 4.39Å; I13-N15 VanDerWaalsContact C-N 3.33Å; I13-N15 PolarHBondContact O-N 3.1Å; I13-L16 HydrophobicContact CD1-CD1 4.21Å; I13-L16 PolarHBondContact O-N 3.14Å; I13-L17 PolarHBondContact O-N 2.9Å |
| 14 | P | 98.7 | Very high | 97.5 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 171.7 | -28 | 36.7 | 0 | 0 | 0 | 114 | S12 L17 K18 | S12-P14 VanDerWaalsContact C-N 3.32Å; P14-L17 PolarHBondContact O-N 2.95Å; P14-K18 WeakPolarHBondContact O-CG 3.32Å; P14-K18 PolarHBondContact O-N 2.94Å; P14-K18 VanDerWaalsContact O-N 3.08Å |
| 15 | N | 98.7 | Very high | 98 | Very high | 29 Ų | 29 | 63.9 Ų | 63.9 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.4 | -75.9 | 3.1 | 0 | 0 | 0 | 111.4 | S12 I13 L17 K18 R19 L309 E316 | S12-N15 WeakPolarHBondContact O-CB 3.42Å; S12-N15 PolarHBondContact O-N 3.24Å; S12-N15 PolarHBondContact OG-N 3Å; I13-N15 VanDerWaalsContact C-N 3.33Å; I13-N15 PolarHBondContact O-N 3.1Å; N15-L17 VanDerWaalsContact C-N 3.32Å; N15-L17 PolarHBondContact O-N 2.81Å; N15-K18 PolarHBondContact O-N 2.97Å; N15-R19 WeakPolarHBondContact O-CB 3.28Å; N15-R19 PolarHBondContact O-N 3.13Å; N15-L309 HydrophobicContact CB-CD1 4.01Å; N15-E316 PolarHBondContact ND2-O 3.47Å |
| 16 | L | 98.8 | Very high | 98.3 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 176.3 | -64.5 | -176.6 | 0 | 0 | 0 | 112.6 | A11 S12 I13 R19 A20 A319 | A11-L16 HydrophobicContact CB-CD2 3.75Å; A11-L16 HydrophobicContact CB-CG 4.07Å; S12-L16 PolarHBondContact O-N 3.37Å; I13-L16 HydrophobicContact CD1-CD1 4.21Å; I13-L16 PolarHBondContact O-N 3.14Å; L16-R19 PolarHBondContact O-N 3.43Å; L16-A20 PolarHBondContact O-N 3.25Å; L16-A319 HydrophobicContact CD1-CB 4.26Å; L16-A319 HydrophobicContact CD2-CB 4.08Å |
| 17 | L | 98.7 | Very high | 98.5 | Very high | 126 Ų | 126 | 61.5 Ų | 61.5 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.9 | -44.3 | 175.9 | -167.1 | 153.9 | 0 | 0 | 0 | 111.2 | I13 P14 N15 A20 A21 | I13-L17 PolarHBondContact O-N 2.9Å; P14-L17 PolarHBondContact O-N 2.95Å; N15-L17 VanDerWaalsContact C-N 3.32Å; N15-L17 PolarHBondContact O-N 2.81Å; L17-A20 PolarHBondContact O-N 3.31Å; L17-A21 PolarHBondContact O-N 3.08Å; L17-A21 VanDerWaalsContact O-N 3.15Å |
| 18 | K | 98.7 | Very high | 98.6 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 47% | 0.47 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 176.2 | -65.7 | 180 | -177.4 | 179.9 | 0 | 112.4 | P14 N15 A20 A21 I22 L309 | P14-K18 WeakPolarHBondContact O-CG 3.32Å; P14-K18 PolarHBondContact O-N 2.94Å; P14-K18 VanDerWaalsContact O-N 3.08Å; N15-K18 PolarHBondContact O-N 2.97Å; K18-A20 VanDerWaalsContact C-N 3.31Å; K18-A20 PolarHBondContact O-N 3.27Å; K18-A21 WeakPolarHBondContact O-CB 3.37Å; K18-A21 PolarHBondContact O-N 2.9Å; K18-A21 VanDerWaalsContact O-N 3.14Å; K18-I22 WeakPolarHBondContact O-CG1 3.47Å; K18-I22 PolarHBondContact O-N 3.36Å; K18-L309 HydrophobicContact CB-CD1 4.1Å; K18-L309 HydrophobicContact CB-CD2 3.66Å; K18-L309 HydrophobicContact CD-CD2 3.49Å; K18-L309 VanDerWaalsContact CD-CD2 3.49Å; K18-L309 HydrophobicContact CG-CD2 4.24Å |
| 19 | R | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 57.3 Ų | 57.3 | 13% | 0.125 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 171.7 | -179.6 | -174.2 | -179 | 91.9 | 7.4 | 110.9 | N15 L16 A21 I22 M23 T113 D302 V305 V317 | N15-R19 WeakPolarHBondContact O-CB 3.28Å; N15-R19 PolarHBondContact O-N 3.13Å; L16-R19 PolarHBondContact O-N 3.43Å; R19-A21 VanDerWaalsContact C-N 3.27Å; R19-A21 PolarHBondContact O-N 3.38Å; R19-I22 PolarHBondContact O-N 3.42Å; R19-M23 HydrophobicContact CG-CG 4.37Å; R19-M23 VanDerWaalsContact O-CG 3.24Å; R19-M23 WeakPolarHBondContact O-CG 3.24Å; R19-M23 PolarHBondContact O-N 2.91Å; R19-T113 PolarHBondContact NH2-OG1 3.32Å; R19-D302 IonicContact CZ-OD1 2.93Å; R19-D302 IonicContact NH1-OD1 2.85Å; R19-D302 PolarHBondContact NH1-OD1 3.43Å; R19-D302 IonicContact NH2-OD1 3.57Å; R19-D302 PolarHBondContact NH2-OD1 3.25Å; R19-V305 HydrophobicContact CB-CG1 4.1Å; R19-V305 HydrophobicContact CG-CG1 4.18Å; R19-V305 HydrophobicContact CG-CG2 4.31Å; R19-V317 WeakPolarHBondContact CD-O 3.49Å; R19-V317 PolarHBondContact NH1-O 3.44Å |
| 20 | A | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 50% | 0.504 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L16 L17 K18 M23 A24 | L16-A20 PolarHBondContact O-N 3.25Å; L17-A20 PolarHBondContact O-N 3.31Å; K18-A20 VanDerWaalsContact C-N 3.31Å; K18-A20 PolarHBondContact O-N 3.27Å; A20-M23 PolarHBondContact O-N 2.91Å; A20-A24 PolarHBondContact O-N 3.21Å; A20-A24 VanDerWaalsContact O-N 3.1Å |
| 21 | A | 98.8 | Very high | 98.8 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L17 K18 R19 M23 A24 E25 | L17-A21 PolarHBondContact O-N 3.08Å; L17-A21 VanDerWaalsContact O-N 3.15Å; K18-A21 WeakPolarHBondContact O-CB 3.37Å; K18-A21 PolarHBondContact O-N 2.9Å; K18-A21 VanDerWaalsContact O-N 3.14Å; R19-A21 VanDerWaalsContact C-N 3.27Å; R19-A21 PolarHBondContact O-N 3.38Å; A21-M23 VanDerWaalsContact C-N 3.32Å; A21-M23 PolarHBondContact O-N 3.15Å; A21-A24 PolarHBondContact O-N 3.41Å; A21-A24 VanDerWaalsContact O-N 3.15Å; A21-E25 WeakPolarHBondContact O-CB 3.44Å; A21-E25 PolarHBondContact O-N 3.22Å |
| 22 | I | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 62.9 Ų | 62.9 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 176 | -67.8 | 166.1 | 0 | 0 | 0 | 111 | K18 R19 A24 E25 I26 V138 V305 A308 L309 | K18-I22 WeakPolarHBondContact O-CG1 3.47Å; K18-I22 PolarHBondContact O-N 3.36Å; R19-I22 PolarHBondContact O-N 3.42Å; I22-A24 VanDerWaalsContact C-N 3.31Å; I22-A24 PolarHBondContact O-N 3.07Å; I22-E25 WeakPolarHBondContact O-CB 3.45Å; I22-E25 PolarHBondContact O-N 3.42Å; I22-I26 HydrophobicContact CG2-CD1 3.9Å; I22-I26 HydrophobicContact CG2-CG1 4.37Å; I22-I26 WeakPolarHBondContact O-CG1 3.28Å; I22-I26 PolarHBondContact O-N 3.44Å; I22-V138 HydrophobicContact CG1-CG1 4.45Å; I22-V138 HydrophobicContact CG2-CG1 3.72Å; I22-V305 HydrophobicContact CB-CG2 4.38Å; I22-V305 HydrophobicContact CD1-CB 4.49Å; I22-V305 HydrophobicContact CD1-CG1 4.22Å; I22-V305 HydrophobicContact CD1-CG2 4.17Å; I22-V305 HydrophobicContact CG2-CG2 3.93Å; I22-A308 HydrophobicContact CD1-CB 3.74Å; I22-L309 HydrophobicContact CD1-CD2 4.21Å |
| 23 | M | 98.9 | Very high | 98.8 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.5 | -69.6 | -66.8 | -70.5 | 0 | 0 | 112.6 | R19 A20 A21 R27 L95 T113 V301 | R19-M23 HydrophobicContact CG-CG 4.37Å; R19-M23 VanDerWaalsContact O-CG 3.24Å; R19-M23 WeakPolarHBondContact O-CG 3.24Å; R19-M23 PolarHBondContact O-N 2.91Å; A20-M23 PolarHBondContact O-N 2.91Å; A21-M23 VanDerWaalsContact C-N 3.32Å; A21-M23 PolarHBondContact O-N 3.15Å; M23-R27 PolarHBondContact O-N 3.28Å; M23-L95 HydrophobicContact CE-CB 4.23Å; M23-L95 HydrophobicContact CE-CD1 3.91Å; M23-L95 HydrophobicContact CE-CD2 4Å; M23-L95 HydrophobicContact CE-CG 4.28Å; M23-L95 HydrophobicContact SD-CD2 4.34Å; M23-T113 HydrophobicContact CE-CG2 4.22Å; M23-V301 HydrophobicContact SD-CG1 3.71Å |
| 24 | A | 98.9 | Very high | 98.8 | Very high | 52 Ų | 52 | 61.4 Ų | 61.4 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.8 | -36.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A20 A21 I22 R27 R28 | A20-A24 PolarHBondContact O-N 3.21Å; A20-A24 VanDerWaalsContact O-N 3.1Å; A21-A24 PolarHBondContact O-N 3.41Å; A21-A24 VanDerWaalsContact O-N 3.15Å; I22-A24 VanDerWaalsContact C-N 3.31Å; I22-A24 PolarHBondContact O-N 3.07Å; A24-R27 PolarHBondContact O-N 2.95Å; A24-R28 WeakPolarHBondContact O-CB 3.45Å; A24-R28 PolarHBondContact O-N 3.22Å |
| 25 | E | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 175.4 | 176.5 | 168.1 | -154.1 | 0 | 0 | 112.3 | A21 I22 R27 R28 F29 Q137 V138 | A21-E25 WeakPolarHBondContact O-CB 3.44Å; A21-E25 PolarHBondContact O-N 3.22Å; I22-E25 WeakPolarHBondContact O-CB 3.45Å; I22-E25 PolarHBondContact O-N 3.42Å; E25-R27 VanDerWaalsContact C-N 3.34Å; E25-R27 PolarHBondContact O-N 3.08Å; E25-R28 WeakPolarHBondContact O-CB 3.35Å; E25-R28 PolarHBondContact O-N 3.23Å; E25-R28 VanDerWaalsContact O-N 3.13Å; E25-F29 PolarHBondContact O-N 3.07Å; E25-Q137 WeakPolarHBondContact OE1-CG 3.32Å; E25-Q137 PolarHBondContact OE1-NE2 2.87Å; E25-V138 HydrophobicContact CG-CG2 4.46Å |
| 26 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.6 | -68.1 | 167.5 | 0 | 0 | 0 | 110.4 | I22 R28 F29 F30 L95 L115 L134 V138 V301 L304 | I22-I26 HydrophobicContact CG2-CD1 3.9Å; I22-I26 HydrophobicContact CG2-CG1 4.37Å; I22-I26 WeakPolarHBondContact O-CG1 3.28Å; I22-I26 PolarHBondContact O-N 3.44Å; I26-R28 VanDerWaalsContact C-N 3.29Å; I26-R28 PolarHBondContact O-N 3Å; I26-F29 WeakPolarHBondContact O-CB 3.26Å; I26-F29 PolarHBondContact O-N 3.26Å; I26-F30 HydrophobicContact CG2-CD2 4.03Å; I26-F30 HydrophobicContact CG2-CE2 3.85Å; I26-F30 VanDerWaalsContact O-CD2 3.26Å; I26-F30 WeakPolarHBondContact O-CD2 3.24Å; I26-F30 PolarHBondContact O-N 3.02Å; I26-L95 HydrophobicContact CG2-CD1 4.14Å; I26-L95 HydrophobicContact CG2-CD2 4.34Å; I26-L115 HydrophobicContact CG2-CD1 3.99Å; I26-L115 HydrophobicContact CG2-CD2 3.81Å; I26-L115 HydrophobicContact CG2-CG 4.48Å; I26-L134 HydrophobicContact CG1-CD1 4.33Å; I26-V138 HydrophobicContact CG1-CG2 4.19Å; I26-V301 HydrophobicContact CD1-CG1 4.34Å; I26-L304 HydrophobicContact CD1-CD2 4.1Å |
| 27 | R | 98.9 | Very high | 98.8 | Very high | 89 Ų | 89 | 62.4 Ų | 62.4 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.3 | -75.7 | -171.8 | 174.1 | 87.8 | 4.1 | 112.3 | M23 A24 E25 F30 A31 E37 F93 L95 | M23-R27 PolarHBondContact O-N 3.28Å; A24-R27 PolarHBondContact O-N 2.95Å; E25-R27 VanDerWaalsContact C-N 3.34Å; E25-R27 PolarHBondContact O-N 3.08Å; R27-F30 PolarHBondContact O-N 3.15Å; R27-A31 VanDerWaalsContact O-CB 3.28Å; R27-A31 WeakPolarHBondContact O-CB 3.37Å; R27-A31 PolarHBondContact O-N 3.44Å; R27-E37 WeakPolarHBondContact CD-OE2 3.48Å; R27-E37 IonicContact CZ-OE1 2.65Å; R27-E37 IonicContact NE-OE1 2.59Å; R27-E37 PolarHBondContact NE-OE1 2.92Å; R27-E37 IonicContact NE-OE2 3.33Å; R27-E37 PolarHBondContact NE-OE2 2.89Å; R27-E37 IonicContact NH2-OE1 2.66Å; R27-E37 PolarHBondContact NH2-OE1 3.24Å; R27-F93 HydrophobicContact CG-CE2 4.3Å; R27-F93 HydrophobicContact CG-CZ 4.25Å; R27-L95 HydrophobicContact CG-CD1 3.8Å |
| 28 | R | 98.9 | Very high | 98.9 | Very high | 170 Ų | 170 | 57.3 Ų | 57.3 | 64% | 0.642 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 177.2 | -174.7 | 166.9 | -66 | 161 | 2.8 | 111.7 | A24 E25 I26 F30 A31 D32 | A24-R28 WeakPolarHBondContact O-CB 3.45Å; A24-R28 PolarHBondContact O-N 3.22Å; E25-R28 WeakPolarHBondContact O-CB 3.35Å; E25-R28 PolarHBondContact O-N 3.23Å; E25-R28 VanDerWaalsContact O-N 3.13Å; I26-R28 VanDerWaalsContact C-N 3.29Å; I26-R28 PolarHBondContact O-N 3Å; R28-F30 VanDerWaalsContact C-N 3.26Å; R28-F30 PolarHBondContact O-N 3.24Å; R28-A31 PolarHBondContact O-N 3.18Å; R28-D32 WeakPolarHBondContact CG-OD2 3.2Å; R28-D32 WeakPolarHBondContact O-CB 3.32Å; R28-D32 PolarHBondContact O-N 3.38Å |
| 29 | F | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -51.3 | -45.8 | 176.3 | 175.9 | -85.1 | 0 | 0 | 0 | 112.5 | E25 I26 R33 E130 D133 L134 | E25-F29 PolarHBondContact O-N 3.07Å; I26-F29 WeakPolarHBondContact O-CB 3.26Å; I26-F29 PolarHBondContact O-N 3.26Å; F29-R33 VanDerWaalsContact CE2-NH1 3.33Å; F29-R33 WeakPolarHBondContact O-CD 3.46Å; F29-R33 WeakPolarHBondContact O-CG 3.47Å; F29-R33 PolarHBondContact O-NH1 3.29Å; F29-E130 HydrophobicContact CE1-CG 4.02Å; F29-E130 HydrophobicContact CZ-CG 4.04Å; F29-D133 HydrophobicContact CE2-CB 3.81Å; F29-D133 HydrophobicContact CZ-CB 3.92Å; F29-L134 HydrophobicContact CB-CD1 4.24Å; F29-L134 HydrophobicContact CD1-CD1 4.03Å; F29-L134 HydrophobicContact CD2-CB 4.45Å; F29-L134 HydrophobicContact CD2-CD1 4.02Å; F29-L134 HydrophobicContact CE1-CB 4.14Å; F29-L134 HydrophobicContact CE1-CD1 4.4Å; F29-L134 HydrophobicContact CE2-CB 3.95Å; F29-L134 HydrophobicContact CE2-CD1 4.37Å; F29-L134 HydrophobicContact CG-CD1 3.85Å; F29-L134 HydrophobicContact CZ-CB 3.8Å |
| 30 | F | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77.7 | -39.7 | 179.4 | -75.1 | -64.5 | 0 | 0 | 0 | 113.1 | I26 R27 R28 D32 R33 G34 V35 F93 L115 W117 | I26-F30 HydrophobicContact CG2-CD2 4.03Å; I26-F30 HydrophobicContact CG2-CE2 3.85Å; I26-F30 VanDerWaalsContact O-CD2 3.26Å; I26-F30 WeakPolarHBondContact O-CD2 3.24Å; I26-F30 PolarHBondContact O-N 3.02Å; R27-F30 PolarHBondContact O-N 3.15Å; R28-F30 VanDerWaalsContact C-N 3.26Å; R28-F30 PolarHBondContact O-N 3.24Å; F30-D32 VanDerWaalsContact C-N 3.32Å; F30-D32 PolarHBondContact O-N 3.03Å; F30-R33 CarbonylContact O-C 3.44Å; F30-R33 PolarHBondContact O-N 2.88Å; F30-R33 VanDerWaalsContact O-N 3.07Å; F30-G34 PolarHBondContact O-N 3.42Å; F30-G34 VanDerWaalsContact O-N 3.15Å; F30-V35 HydrophobicContact CB-CB 4.05Å; F30-V35 HydrophobicContact CD1-CB 3.92Å; F30-V35 HydrophobicContact CD1-CG1 4.07Å; F30-V35 HydrophobicContact CD1-CG2 3.91Å; F30-V35 HydrophobicContact CG-CB 4.41Å; F30-V35 PolarHBondContact O-N 3.23Å; F30-F93 HydrophobicContact CB-CD1 3.53Å; F30-F93 HydrophobicContact CB-CD2 4.4Å; F30-F93 HydrophobicContact CB-CE1 3.44Å; F30-F93 VanDerWaalsContact CB-CE1 3.44Å; F30-F93 HydrophobicContact CB-CE2 4.34Å; F30-F93 HydrophobicContact CB-CG 4.01Å; F30-F93 HydrophobicContact CB-CZ 3.88Å; F30-F93 HydrophobicContact CD1-CB 4.18Å; F30-F93 HydrophobicContact CD1-CD1 4.31Å; F30-F93 HydrophobicContact CD1-CG 4.21Å; F30-F93 HydrophobicContact CD2-CB 4.29Å; F30-F93 HydrophobicContact CD2-CD1 4.19Å; F30-F93 AromaticContact CD2-CD2 3.63Å; F30-F93 HydrophobicContact CD2-CD2 3.63Å; F30-F93 HydrophobicContact CD2-CE1 4.43Å; F30-F93 AromaticContact CD2-CE2 3.92Å; F30-F93 HydrophobicContact CD2-CE2 3.92Å; F30-F93 AromaticContact CD2-CG 3.78Å; F30-F93 HydrophobicContact CD2-CG 3.78Å; F30-F93 HydrophobicContact CD2-CZ 4.31Å; F30-F93 HydrophobicContact CE1-CB 4.31Å; F30-F93 HydrophobicContact CE2-CB 4.45Å; F30-F93 HydrophobicContact CE2-CD2 4.13Å; F30-F93 HydrophobicContact CE2-CG 4.34Å; F30-F93 HydrophobicContact CG-CB 4.18Å; F30-F93 AromaticContact CG-CD1 3.76Å; F30-F93 HydrophobicContact CG-CD1 3.76Å; F30-F93 HydrophobicContact CG-CD2 4.05Å; F30-F93 HydrophobicContact CG-CE1 4.09Å; F30-F93 HydrophobicContact CG-CE2 4.38Å; F30-F93 AromaticContact CG-CG 3.72Å; F30-F93 HydrophobicContact CG-CG 3.72Å; F30-F93 HydrophobicContact CG-CZ 4.4Å; F30-F93 HydrophobicContact CZ-CB 4.45Å; F30-L115 HydrophobicContact CD2-CD1 4.33Å; F30-L115 HydrophobicContact CE2-CD1 3.55Å; F30-L115 HydrophobicContact CE2-CD2 3.8Å; F30-L115 HydrophobicContact CE2-CG 4.18Å; F30-L115 HydrophobicContact CZ-CD1 4.14Å; F30-L115 HydrophobicContact CZ-CD2 4.17Å; F30-L115 HydrophobicContact CZ-CG 4.5Å; F30-W117 HydrophobicContact CE1-CB 4.23Å; F30-W117 AromaticContact CE1-CD1 3.83Å; F30-W117 AromaticContact CE1-CD2 3.88Å; F30-W117 HydrophobicContact CE1-CD2 3.88Å; F30-W117 AromaticContact CE1-CE2 3.99Å; F30-W117 HydrophobicContact CE1-CE3 4.49Å; F30-W117 AromaticContact CE1-CG 3.76Å; F30-W117 HydrophobicContact CE1-CG 3.76Å; F30-W117 AromaticContact CE1-NE1 3.94Å; F30-W117 HydrophobicContact CZ-CB 4.43Å; F30-W117 AromaticContact CZ-CD2 3.67Å; F30-W117 HydrophobicContact CZ-CD2 3.67Å; F30-W117 AromaticContact CZ-CE2 3.95Å; F30-W117 AromaticContact CZ-CE3 3.83Å; F30-W117 HydrophobicContact CZ-CE3 3.83Å; F30-W117 AromaticContact CZ-CG 3.98Å; F30-W117 HydrophobicContact CZ-CG 3.98Å; F30-W117 HydrophobicContact CZ-CH2 4.48Å; F30-W117 HydrophobicContact CZ-CZ2 4.35Å; F30-W117 HydrophobicContact CZ-CZ3 4.24Å |
| 31 | A | 98.9 | Very high | 98.9 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R27 R28 R33 G34 | R27-A31 VanDerWaalsContact O-CB 3.28Å; R27-A31 WeakPolarHBondContact O-CB 3.37Å; R27-A31 PolarHBondContact O-N 3.44Å; R28-A31 PolarHBondContact O-N 3.18Å; A31-R33 PolarHBondContact O-N 3.13Å; A31-G34 PolarHBondContact O-N 2.98Å; A31-G34 VanDerWaalsContact O-N 3.08Å |
| 32 | D | 98.8 | Very high | 98.9 | Very high | 123 Ų | 123 | 60.8 Ų | 60.8 | 66% | 0.658 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.6 | 177.7 | -68.1 | -13.8 | 0 | 0 | 0 | 112.4 | R28 F30 | R28-D32 WeakPolarHBondContact CG-OD2 3.2Å; R28-D32 WeakPolarHBondContact O-CB 3.32Å; R28-D32 PolarHBondContact O-N 3.38Å; F30-D32 VanDerWaalsContact C-N 3.32Å; F30-D32 PolarHBondContact O-N 3.03Å |
| 33 | R | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 65.1 Ų | 65.1 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 8.5 | 176.8 | -67.5 | 170.9 | 173 | 70.9 | -2.1 | 113.5 | F29 F30 A31 V35 D133 | F29-R33 VanDerWaalsContact CE2-NH1 3.33Å; F29-R33 WeakPolarHBondContact O-CD 3.46Å; F29-R33 WeakPolarHBondContact O-CG 3.47Å; F29-R33 PolarHBondContact O-NH1 3.29Å; F30-R33 CarbonylContact O-C 3.44Å; F30-R33 PolarHBondContact O-N 2.88Å; F30-R33 VanDerWaalsContact O-N 3.07Å; A31-R33 PolarHBondContact O-N 3.13Å; R33-V35 VanDerWaalsContact C-N 3.28Å; R33-V35 HydrophobicContact CB-CG2 4.11Å; R33-V35 PolarHBondContact O-N 3.39Å; R33-D133 IonicContact NH2-OD2 3.23Å; R33-D133 PolarHBondContact NH2-OD2 2.86Å |
| 34 | G | 98.6 | Very high | 98.8 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 31 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | F30 A31 | F30-G34 PolarHBondContact O-N 3.42Å; F30-G34 VanDerWaalsContact O-N 3.15Å; A31-G34 PolarHBondContact O-N 2.98Å; A31-G34 VanDerWaalsContact O-N 3.08Å |
| 35 | V | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 125.9 | 175.8 | -168.5 | 0 | 0 | 0 | 0 | 109.1 | F30 R33 P91 V92 F93 R119 | F30-V35 HydrophobicContact CB-CB 4.05Å; F30-V35 HydrophobicContact CD1-CB 3.92Å; F30-V35 HydrophobicContact CD1-CG1 4.07Å; F30-V35 HydrophobicContact CD1-CG2 3.91Å; F30-V35 HydrophobicContact CG-CB 4.41Å; F30-V35 PolarHBondContact O-N 3.23Å; R33-V35 VanDerWaalsContact C-N 3.28Å; R33-V35 HydrophobicContact CB-CG2 4.11Å; R33-V35 PolarHBondContact O-N 3.39Å; V35-P91 HydrophobicContact CG1-CB 4.29Å; V35-V92 VanDerWaalsContact CG1-C 3.47Å; V35-F93 HydrophobicContact CB-CD1 4.15Å; V35-F93 HydrophobicContact CG1-CB 4.04Å; V35-F93 HydrophobicContact CG1-CD1 3.88Å; V35-F93 HydrophobicContact CG1-CG 4.44Å; V35-F93 WeakPolarHBondContact O-CE1 3.49Å; V35-R119 VanDerWaalsContact CG2-NH1 3.33Å |
| 36 | L | 98.9 | Very high | 98.7 | Very high | 95 Ų | 95 | 65 Ų | 65 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.1 | -175.3 | 172.8 | 66.1 | 0 | 0 | 0 | 111 | V38 P91 V92 F93 | L36-V38 HydrophobicContact CD2-CG1 4.04Å; L36-V38 HydrophobicContact CG-CG1 3.99Å; L36-P91 PolarHBondContact N-O 3.36Å; L36-V92 HydrophobicContact CB-CG1 4.03Å; L36-V92 HydrophobicContact CD2-CG1 4.1Å; L36-V92 HydrophobicContact CG-CG1 4.28Å; L36-V92 CarbonylContact O-C 3.58Å; L36-V92 WeakPolarHBondContact O-CA 3.3Å; L36-F93 PolarHBondContact O-N 3.02Å |
| 37 | E | 98.9 | Very high | 98.7 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 35% | 0.346 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.7 | 167.8 | -164.1 | 168.1 | 176.4 | 0 | 0 | 109.3 | R27 F93 | R27-E37 WeakPolarHBondContact CD-OE2 3.48Å; R27-E37 IonicContact CZ-OE1 2.65Å; R27-E37 IonicContact NE-OE1 2.59Å; R27-E37 PolarHBondContact NE-OE1 2.92Å; R27-E37 IonicContact NE-OE2 3.33Å; R27-E37 PolarHBondContact NE-OE2 2.89Å; R27-E37 IonicContact NH2-OE1 2.66Å; R27-E37 PolarHBondContact NH2-OE1 3.24Å; E37-F93 CarbonylContact C-O 3.52Å; E37-F93 VanDerWaalsContact CA-O 3.31Å; E37-F93 WeakPolarHBondContact CA-O 3.42Å; E37-F93 HydrophobicContact CB-CD1 4.19Å; E37-F93 HydrophobicContact CB-CE1 3.48Å; E37-F93 VanDerWaalsContact CB-CE1 3.48Å; E37-F93 HydrophobicContact CB-CE2 4.22Å; E37-F93 HydrophobicContact CB-CZ 3.49Å; E37-F93 VanDerWaalsContact CB-CZ 3.49Å; E37-F93 HydrophobicContact CG-CE1 4.06Å; E37-F93 HydrophobicContact CG-CE2 3.85Å; E37-F93 HydrophobicContact CG-CZ 3.6Å |
| 38 | V | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | trans | -124.4 | 156.2 | 175 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | L36 M81 L84 V92 F93 Q94 | L36-V38 HydrophobicContact CD2-CG1 4.04Å; L36-V38 HydrophobicContact CG-CG1 3.99Å; V38-M81 HydrophobicContact CG2-CE 3.94Å; V38-L84 HydrophobicContact CB-CD1 4.23Å; V38-L84 HydrophobicContact CG1-CD1 4.36Å; V38-L84 HydrophobicContact CG2-CD1 4.11Å; V38-V92 HydrophobicContact CG1-CB 4.22Å; V38-V92 HydrophobicContact CG1-CG1 3.71Å; V38-V92 HydrophobicContact CG2-CB 4.26Å; V38-F93 PolarHBondContact N-O 2.95Å; V38-Q94 HydrophobicContact CG2-CB 4.22Å; V38-Q94 WeakPolarHBondContact O-CB 3.45Å; V38-Q94 WeakPolarHBondContact O-CG 3.36Å | ||
| 39 | E | 98.9 | Very high | 98.6 | Very high | 189 Ų | 189 | 53.9 Ų | 53.9 | 88% | 0.883 | 30% | 0.302 | S | S | * | . | trans | -121.9 | 108.8 | 173.9 | -66.3 | 179.9 | -97.3 | 0 | 0 | 109.3 | ||||
| 40 | T | 98.8 | Very high | 98.5 | Very high | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.104 | 31% | 0.314 | C | S | . | . | trans | -97.4 | 159.8 | 175.5 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | P77 H80 M81 L84 Q94 | T40-P77 WeakPolarHBondContact OG1-CB 3.31Å; T40-H80 HydrophobicContact CG2-CB 3.6Å; T40-M81 HydrophobicContact CG2-CG 4.09Å; T40-L84 HydrophobicContact CG2-CD1 3.86Å; T40-Q94 VanDerWaalsContact OG1-CD 3.28Å; T40-Q94 PolarHBondContact OG1-NE2 3.47Å; T40-Q94 PolarHBondContact OG1-OE1 3.32Å | ||
| 41 | P | 98.8 | Very high | 98.3 | Very high | 70 Ų | 70 | 57 Ų | 57 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | trans | -62.5 | 143 | -175.8 | -23.5 | 34.6 | 0 | 0 | 0 | 114.2 | M43 M74 | P41-M43 WeakPolarHBondContact CB-O 3.07Å; P41-M74 WeakPolarHBondContact O-CG 3.21Å | ||
| 42 | C | 98.8 | Very high | 98 | Very high | 56 Ų | 56 | 59 Ų | 59 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -79.7 | -16.6 | 168.7 | -64 | 0 | 0 | 0 | 0 | 113.7 | L73 M74 F99 | C42-L73 VanDerWaalsContact O-CA 3.31Å; C42-L73 WeakPolarHBondContact O-CA 2.98Å; C42-M74 PolarHBondContact O-N 3.22Å; C42-F99 HydrophobicContact CB-CE2 3.95Å |
| 43 | M | 98.5 | Very high | 97.8 | Very high | 103 Ų | 103 | 54.2 Ų | 54.2 | 51% | 0.507 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.2 | -179.8 | -69.6 | 179.3 | -71.2 | 0 | 0 | 110.2 | P41 T58 L71 W72 L73 | P41-M43 WeakPolarHBondContact CB-O 3.07Å; M43-T58 HydrophobicContact SD-CG2 4.24Å; M43-L71 HydrophobicContact CB-CB 4.43Å; M43-L71 HydrophobicContact CB-CD1 4.08Å; M43-L71 HydrophobicContact SD-CD1 4.05Å; M43-W72 CarbonylContact C-O 3.58Å; M43-W72 WeakPolarHBondContact CA-O 3.36Å; M43-L73 HydrophobicContact CG-CD2 3.65Å |
| 44 | S | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158 | 177.5 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | A46 L71 W72 M74 | S44-A46 VanDerWaalsContact C-N 3.28Å; S44-A46 VanDerWaalsContact CB-O 3.24Å; S44-A46 WeakPolarHBondContact CB-O 3.18Å; S44-A46 PolarHBondContact OG-N 3.46Å; S44-A46 VanDerWaalsContact OG-N 3.17Å; S44-A46 PolarHBondContact OG-O 2.88Å; S44-A46 VanDerWaalsContact OG-O 3.1Å; S44-L71 CarbonylContact O-C 3.44Å; S44-L71 WeakPolarHBondContact O-CA 3.4Å; S44-L71 WeakPolarHBondContact O-CD2 3.48Å; S44-W72 PolarHBondContact N-O 2.85Å; S44-W72 PolarHBondContact O-N 3.19Å; S44-M74 WeakPolarHBondContact CB-SD 3.12Å |
| 45 | Q | 97.8 | Very high | 97.7 | Very high | 124 Ų | 124 | 49.9 Ų | 49.9 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -82.3 | -5.5 | 171.5 | -68 | 179.4 | -16.3 | 0 | 0 | 113.1 | M69 L71 W72 | Q45-M69 HydrophobicContact CG-SD 3.74Å; Q45-M69 PolarHBondContact NE2-SD 3.11Å; Q45-L71 HydrophobicContact CB-CD2 4.44Å; Q45-L71 HydrophobicContact CG-CD2 3.71Å; Q45-W72 WeakPolarHBondContact O-CZ3 3.48Å |
| 46 | A | 98 | Very high | 97.7 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -133.2 | 165.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S44 D280 | S44-A46 VanDerWaalsContact C-N 3.28Å; S44-A46 VanDerWaalsContact CB-O 3.24Å; S44-A46 WeakPolarHBondContact CB-O 3.18Å; S44-A46 PolarHBondContact OG-N 3.46Å; S44-A46 VanDerWaalsContact OG-N 3.17Å; S44-A46 PolarHBondContact OG-O 2.88Å; S44-A46 VanDerWaalsContact OG-O 3.1Å; A46-D280 HydrophobicContact CB-CB 3.66Å |
| 47 | T | 98.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | trans | -135.7 | 174.4 | 178.1 | -171.7 | 0 | 0 | 0 | 0 | 110 | P55 W72 H277 | T47-P55 HydrophobicContact CG2-CG 4.17Å; T47-P55 WeakPolarHBondContact OG1-CB 3.47Å; T47-P55 WeakPolarHBondContact OG1-CG 3.29Å; T47-W72 HydrophobicContact CG2-CD2 4.34Å; T47-W72 HydrophobicContact CG2-CG 4.05Å; T47-H277 HydrophobicContact CG2-CB 3.64Å; T47-H277 VanDerWaalsContact CG2-CG 3.49Å | ||
| 48 | V | 98 | Very high | 97.6 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | trans | -69.8 | 151.1 | 175 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | D50 L53 T75 Y79 H277 | V48-D50 HydrophobicContact CB-CB 4.46Å; V48-D50 HydrophobicContact CG2-CB 4.34Å; V48-L53 HydrophobicContact CG2-CB 4.04Å; V48-L53 HydrophobicContact CG2-CD1 4.24Å; V48-T75 HydrophobicContact CG2-CG2 4.29Å; V48-Y79 HydrophobicContact CG1-CE1 4.35Å; V48-Y79 HydrophobicContact CG1-CE2 4.28Å; V48-H277 PolarHBondContact O-CD2 3.3Å | ||
| 49 | T | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | trans | -91.7 | -9.2 | 170.2 | 53 | 0 | 0 | 0 | 0 | 112.9 | I51 F262 D265 R269 | T49-I51 PolarHBondContact O-N 3.4Å; T49-F262 HydrophobicContact CG2-CB 4.13Å; T49-F262 WeakPolarHBondContact OG1-CD1 3.28Å; T49-D265 WeakPolarHBondContact O-CB 3.31Å; T49-D265 PolarHBondContact OG1-OD2 3.37Å; T49-R269 VanDerWaalsContact C-NH1 3.35Å; T49-R269 WeakPolarHBondContact O-CD 3.27Å; T49-R269 PolarHBondContact O-NH1 3.35Å | ||
| 50 | D | 96.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | trans | -47.3 | 120.7 | -177.1 | -174 | -56.8 | 0 | 0 | 0 | 112.2 | V48 H52 L53 R269 | V48-D50 HydrophobicContact CB-CB 4.46Å; V48-D50 HydrophobicContact CG2-CB 4.34Å; D50-H52 PolarHBondContact O-N 3.23Å; D50-H52 VanDerWaalsContact O-N 3.13Å; D50-H52 PolarHBondContact OD1-N 2.93Å; D50-L53 HydrophobicContact CB-CB 4.29Å; D50-L53 HydrophobicContact CB-CD1 3.75Å; D50-L53 HydrophobicContact CB-CG 4.45Å; D50-L53 PolarHBondContact O-N 2.85Å; D50-L53 VanDerWaalsContact O-N 3.09Å; D50-R269 VanDerWaalsContact C-NH1 3.28Å; D50-R269 PolarHBondContact O-NH1 3.16Å | ||
| 51 | I | 94.1 | Very high | 97.2 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28 | -165.6 | -56.8 | 151.9 | 0 | 0 | 0 | 112.5 | T49 D265 K268 R269 L274 | T49-I51 PolarHBondContact O-N 3.4Å; I51-D265 HydrophobicContact CG1-CB 4.25Å; I51-K268 HydrophobicContact CD1-CB 3.77Å; I51-K268 HydrophobicContact CD1-CD 3.4Å; I51-K268 HydrophobicContact CD1-CG 4.24Å; I51-K268 HydrophobicContact CG1-CB 4.14Å; I51-R269 HydrophobicContact CG1-CG 4.41Å; I51-L274 HydrophobicContact CG2-CD1 4.3Å |
| 52 | H | 92.5 | Very high | 96.8 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6.7 | -175.4 | -58.5 | -73.1 | 0 | 0 | 0 | 112.9 | D50 | D50-H52 PolarHBondContact O-N 3.23Å; D50-H52 VanDerWaalsContact O-N 3.13Å; D50-H52 PolarHBondContact OD1-N 2.93Å |
| 53 | L | 95.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | trans | -99.5 | 130.6 | -178.8 | -79.1 | 156.5 | 0 | 0 | 0 | 111.9 | V48 D50 T75 R100 R269 | V48-L53 HydrophobicContact CG2-CB 4.04Å; V48-L53 HydrophobicContact CG2-CD1 4.24Å; D50-L53 HydrophobicContact CB-CB 4.29Å; D50-L53 HydrophobicContact CB-CD1 3.75Å; D50-L53 HydrophobicContact CB-CG 4.45Å; D50-L53 PolarHBondContact O-N 2.85Å; D50-L53 VanDerWaalsContact O-N 3.09Å; L53-T75 HydrophobicContact CD2-CG2 4.11Å; L53-R100 HydrophobicContact CD2-CB 4.43Å; L53-R100 VanDerWaalsContact CD2-CD 3.46Å; L53-R100 HydrophobicContact CD2-CG 3.7Å; L53-R269 PolarHBondContact O-NH2 3.03Å | ||
| 54 | V | 97.3 | Very high | 95.7 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | trans | -112.2 | 108.2 | 170.9 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | N101 E102 | V54-N101 HydrophobicContact CB-CB 4.22Å; V54-N101 HydrophobicContact CG1-CB 4.03Å; V54-N101 WeakPolarHBondContact O-CA 3.44Å; V54-N101 WeakPolarHBondContact O-CB 3.47Å; V54-N101 PolarHBondContact O-N 3.33Å; V54-E102 HydrophobicContact CB-CG 4.46Å | ||
| 55 | P | 98.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | trans | -75.8 | 155.1 | 179.9 | 31.9 | -36.6 | 0 | 0 | 0 | 111.8 | T47 T75 | T47-P55 HydrophobicContact CG2-CG 4.17Å; T47-P55 WeakPolarHBondContact OG1-CB 3.47Å; T47-P55 WeakPolarHBondContact OG1-CG 3.29Å; P55-T75 HydrophobicContact CB-CG2 4.26Å | ||
| 56 | F | 98.4 | Very high | 94.1 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | trans | -74.8 | 145.6 | 162.1 | -81.4 | -87.7 | 0 | 0 | 0 | 110.4 | W72 L73 F99 N101 P110 | F56-W72 WeakPolarHBondContact O-CA 3.35Å; F56-L73 HydrophobicContact CB-CB 4.04Å; F56-L73 HydrophobicContact CB-CD1 3.78Å; F56-L73 HydrophobicContact CB-CG 3.93Å; F56-L73 HydrophobicContact CG-CD1 4.38Å; F56-L73 PolarHBondContact O-N 2.98Å; F56-F99 HydrophobicContact CD2-CB 4.13Å; F56-N101 HydrophobicContact CD2-CB 3.93Å; F56-N101 HydrophobicContact CE2-CB 3.84Å; F56-N101 HydrophobicContact CG-CB 4.31Å; F56-N101 HydrophobicContact CZ-CB 4.15Å; F56-P110 HydrophobicContact CE2-CB 3.97Å; F56-P110 HydrophobicContact CZ-CB 4.01Å | ||
| 57 | E | 98.2 | Very high | 93.6 | Very high | 120 Ų | 120 | 72.3 Ų | 72.3 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 146.6 | 178.7 | -55.6 | -164.8 | 168.5 | 0 | 0 | 111.2 | W72 | E57-W72 PolarHBondContact OE1-NE1 2.93Å |
| 58 | T | 98.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 72.9 Ų | 72.9 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 168.1 | 175.9 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | M43 L71 | M43-T58 HydrophobicContact SD-CG2 4.24Å; T58-L71 HydrophobicContact CG2-CB 3.9Å; T58-L71 PolarHBondContact N-O 3.41Å; T58-L71 PolarHBondContact O-N 2.69Å |
| 59 | R | 97.4 | Very high | 93.2 | Very high | 121 Ų | 121 | 75.1 Ų | 75.1 | 46% | 0.457 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.4 | 179.1 | -173.6 | 73.2 | -177.8 | 177.4 | 0.8 | 110.3 | V61 Q67 G68 M69 N70 | R59-V61 HydrophobicContact CG-CG1 4.43Å; R59-Q67 PolarHBondContact NH2-O 2.89Å; R59-G68 VanDerWaalsContact CZ-C 3.48Å; R59-G68 PolarHBondContact NH2-O 2.86Å; R59-M69 WeakPolarHBondContact CD-O 3.49Å; R59-N70 WeakPolarHBondContact CD-OD1 3.39Å; R59-N70 PolarHBondContact NH1-OD1 3.29Å |
| 60 | F | 96.7 | Very high | 93.2 | Very high | 101 Ų | 101 | 78.8 Ų | 78.8 | 44% | 0.443 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.7 | 169.5 | 173 | -108.8 | 0 | 0 | 0 | 110 | G68 M69 L71 | F60-G68 CarbonylContact O-C 3.54Å; F60-G68 WeakPolarHBondContact O-CA 3.33Å; F60-M69 HydrophobicContact CB-CG 4.11Å; F60-M69 HydrophobicContact CD1-CE 3.7Å; F60-M69 HydrophobicContact CD1-CG 4.11Å; F60-M69 HydrophobicContact CD1-SD 4.43Å; F60-M69 HydrophobicContact CE1-CE 4.03Å; F60-M69 PolarHBondContact N-O 3.49Å; F60-M69 PolarHBondContact O-N 3.33Å; F60-L71 HydrophobicContact CB-CD1 3.6Å; F60-L71 HydrophobicContact CB-CG 4.18Å; F60-L71 HydrophobicContact CG-CD1 4.33Å |
| 61 | V | 93.8 | Very high | 93.3 | Very high | 100 Ų | 100 | 77.4 Ų | 77.4 | 61% | 0.606 | 42% | 0.421 | S | S | * | . | trans | -85.4 | -27.5 | -174.6 | -65.6 | 0 | 0 | 0 | 0 | 113.9 | R59 S66 | R59-V61 HydrophobicContact CG-CG1 4.43Å; V61-S66 WeakPolarHBondContact O-CB 3.47Å; V61-S66 PolarHBondContact O-OG 3.16Å | ||
| 62 | G | 90.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 77.8 Ų | 77.8 | 14% | 0.144 | 42% | 0.421 | C | S | . | . | trans | 68.5 | 166.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 63 | P | 89.3 | Confident | 93.8 | Very high | 124 Ų | 124 | 74.4 Ų | 74.4 | 81% | 0.805 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -69.8 | 143.8 | -179.1 | -19 | 32.5 | 0 | 0 | 0 | 113.5 | ||
| 64 | G | 85.6 | Confident | 94 | Very high | 82 Ų | 82 | 73.9 Ų | 73.9 | 85% | 0.845 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 69.1 | -131.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S66 | G64-S66 VanDerWaalsContact C-N 3.33Å; G64-S66 PolarHBondContact O-N 3Å |
| 65 | H | 76.9 | Confident | 94.1 | Very high | 208 Ų | 208 | 72 Ų | 72 | 96% | 0.963 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -96.8 | 54.8 | -179.3 | -140.3 | 83.6 | 0 | 0 | 0 | 111.1 | ||
| 66 | S | 85.4 | Confident | 94.1 | Very high | 62 Ų | 62 | 72.5 Ų | 72.5 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | trans | -87.3 | 145.6 | 178.5 | 158.6 | 0 | 0 | 0 | 0 | 110.7 | V61 G64 G68 | V61-S66 WeakPolarHBondContact O-CB 3.47Å; V61-S66 PolarHBondContact O-OG 3.16Å; G64-S66 VanDerWaalsContact C-N 3.33Å; G64-S66 PolarHBondContact O-N 3Å; S66-G68 PolarHBondContact O-N 2.89Å; S66-G68 PolarHBondContact OG-N 3.19Å | ||
| 67 | Q | 87.7 | Confident | 94.1 | Very high | 187 Ų | 187 | 69.5 Ų | 69.5 | 87% | 0.874 | 38% | 0.383 | S | S | * | . | trans | -64.4 | -22.4 | -179.5 | -168.5 | 172.3 | 4.6 | 0 | 0 | 112.6 | R59 | R59-Q67 PolarHBondContact NH2-O 2.89Š| ||
| 68 | G | 92.3 | Very high | 94.1 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 19% | 0.186 | 36% | 0.361 | C | S | . | . | trans | 68.9 | 167.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R59 F60 S66 | R59-G68 VanDerWaalsContact CZ-C 3.48Å; R59-G68 PolarHBondContact NH2-O 2.86Å; F60-G68 CarbonylContact O-C 3.54Å; F60-G68 WeakPolarHBondContact O-CA 3.33Å; S66-G68 PolarHBondContact O-N 2.89Å; S66-G68 PolarHBondContact OG-N 3.19Å | ||
| 69 | M | 95.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.8 | 176.5 | 79.9 | -177.7 | 80.6 | 0 | 0 | 111.1 | Q45 R59 F60 L71 | Q45-M69 HydrophobicContact CG-SD 3.74Å; Q45-M69 PolarHBondContact NE2-SD 3.11Å; R59-M69 WeakPolarHBondContact CD-O 3.49Å; F60-M69 HydrophobicContact CB-CG 4.11Å; F60-M69 HydrophobicContact CD1-CE 3.7Å; F60-M69 HydrophobicContact CD1-CG 4.11Å; F60-M69 HydrophobicContact CD1-SD 4.43Å; F60-M69 HydrophobicContact CE1-CE 4.03Å; F60-M69 PolarHBondContact N-O 3.49Å; F60-M69 PolarHBondContact O-N 3.33Å; M69-L71 HydrophobicContact CG-CD2 3.82Å; M69-L71 HydrophobicContact CG-CG 3.95Å; M69-L71 HydrophobicContact SD-CD2 3.62Å; M69-L71 HydrophobicContact SD-CG 4.33Å |
| 70 | N | 97.6 | Very high | 94.2 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.1 | 168 | -68.6 | -11 | 0 | 0 | 0 | 108.5 | R59 W72 | R59-N70 WeakPolarHBondContact CD-OD1 3.39Å; R59-N70 PolarHBondContact NH1-OD1 3.29Å; N70-W72 HydrophobicContact CB-CH2 4.12Å; N70-W72 HydrophobicContact CB-CZ3 4.43Å; N70-W72 WeakPolarHBondContact O-CZ3 3.47Å |
| 71 | L | 98.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.3 | 173.5 | -62.8 | 177.3 | 0 | 0 | 0 | 108.9 | M43 S44 Q45 T58 F60 M69 | M43-L71 HydrophobicContact CB-CB 4.43Å; M43-L71 HydrophobicContact CB-CD1 4.08Å; M43-L71 HydrophobicContact SD-CD1 4.05Å; S44-L71 CarbonylContact O-C 3.44Å; S44-L71 WeakPolarHBondContact O-CA 3.4Å; S44-L71 WeakPolarHBondContact O-CD2 3.48Å; Q45-L71 HydrophobicContact CB-CD2 4.44Å; Q45-L71 HydrophobicContact CG-CD2 3.71Å; T58-L71 HydrophobicContact CG2-CB 3.9Å; T58-L71 PolarHBondContact N-O 3.41Å; T58-L71 PolarHBondContact O-N 2.69Å; F60-L71 HydrophobicContact CB-CD1 3.6Å; F60-L71 HydrophobicContact CB-CG 4.18Å; F60-L71 HydrophobicContact CG-CD1 4.33Å; M69-L71 HydrophobicContact CG-CD2 3.82Å; M69-L71 HydrophobicContact CG-CG 3.95Å; M69-L71 HydrophobicContact SD-CD2 3.62Å; M69-L71 HydrophobicContact SD-CG 4.33Å |
| 72 | W | 98.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 144.9 | 174.1 | -62.5 | -97.9 | 0 | 0 | 0 | 108.9 | M43 S44 Q45 T47 F56 E57 N70 | M43-W72 CarbonylContact C-O 3.58Å; M43-W72 WeakPolarHBondContact CA-O 3.36Å; S44-W72 PolarHBondContact N-O 2.85Å; S44-W72 PolarHBondContact O-N 3.19Å; Q45-W72 WeakPolarHBondContact O-CZ3 3.48Å; T47-W72 HydrophobicContact CG2-CD2 4.34Å; T47-W72 HydrophobicContact CG2-CG 4.05Å; F56-W72 WeakPolarHBondContact O-CA 3.35Å; E57-W72 PolarHBondContact OE1-NE1 2.93Å; N70-W72 HydrophobicContact CB-CH2 4.12Å; N70-W72 HydrophobicContact CB-CZ3 4.43Å; N70-W72 WeakPolarHBondContact O-CZ3 3.47Å |
| 73 | L | 98.7 | Very high | 94.9 | Very high | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 140 | 168.4 | -58.1 | -173.7 | 0 | 0 | 0 | 109.8 | C42 M43 F56 T75 F99 | C42-L73 VanDerWaalsContact O-CA 3.31Å; C42-L73 WeakPolarHBondContact O-CA 2.98Å; M43-L73 HydrophobicContact CG-CD2 3.65Å; F56-L73 HydrophobicContact CB-CB 4.04Å; F56-L73 HydrophobicContact CB-CD1 3.78Å; F56-L73 HydrophobicContact CB-CG 3.93Å; F56-L73 HydrophobicContact CG-CD1 4.38Å; F56-L73 PolarHBondContact O-N 2.98Å; L73-T75 PolarHBondContact O-N 3.35Å; L73-F99 HydrophobicContact CB-CB 3.69Å; L73-F99 HydrophobicContact CB-CD2 3.77Å; L73-F99 HydrophobicContact CB-CG 3.77Å; L73-F99 HydrophobicContact CD1-CB 4.12Å; L73-F99 HydrophobicContact CD1-CD1 3.77Å; L73-F99 HydrophobicContact CD1-CD2 4.28Å; L73-F99 HydrophobicContact CD1-CE1 4.23Å; L73-F99 HydrophobicContact CD1-CG 3.79Å; L73-F99 HydrophobicContact CG-CG 4.39Å |
| 74 | M | 98.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 6% | 0.059 | 26% | 0.262 | C | S | . | . | trans | -70.1 | 123.9 | -174.7 | -63.9 | -52.5 | -62.6 | 0 | 0 | 112.1 | P41 C42 S44 S76 S98 F99 | P41-M74 WeakPolarHBondContact O-CG 3.21Å; C42-M74 PolarHBondContact O-N 3.22Å; S44-M74 WeakPolarHBondContact CB-SD 3.12Å; M74-S76 VanDerWaalsContact C-N 3.33Å; M74-S76 WeakPolarHBondContact CE-O 3.39Å; M74-S98 WeakPolarHBondContact O-CA 3.38Å; M74-F99 PolarHBondContact O-N 2.99Å | ||
| 75 | T | 98.4 | Very high | 96 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -75.1 | -24.2 | 171.7 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | V48 L53 P55 L73 F99 R100 M114 | V48-T75 HydrophobicContact CG2-CG2 4.29Å; L53-T75 HydrophobicContact CD2-CG2 4.11Å; P55-T75 HydrophobicContact CB-CG2 4.26Å; L73-T75 PolarHBondContact O-N 3.35Å; T75-F99 WeakPolarHBondContact CA-O 3.49Å; T75-F99 WeakPolarHBondContact CG2-O 3.28Å; T75-R100 HydrophobicContact CG2-CG 4.22Å; T75-R100 PolarHBondContact O-NE 2.93Å; T75-M114 VanDerWaalsContact O-CE 3.31Å; T75-M114 WeakPolarHBondContact O-CE 3.46Å |
| 76 | S | 98.6 | Very high | 97.1 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 12% | 0.119 | 19% | 0.186 | C | C | . | . | trans | -159.7 | 153.2 | 171.2 | 148.6 | 0 | 0 | 0 | 0 | 109.2 | M74 E78 E116 | M74-S76 VanDerWaalsContact C-N 3.33Å; M74-S76 WeakPolarHBondContact CE-O 3.39Å; S76-E78 PolarHBondContact O-N 3Å; S76-E78 WeakPolarHBondContact OG-CB 3.26Å; S76-E78 PolarHBondContact OG-N 2.63Å; S76-E116 PolarHBondContact OG-OE1 2.97Å; S76-E116 PolarHBondContact OG-OE2 3.16Å | ||
| 77 | P | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -73 | -4 | 172.1 | 33.4 | -40 | 0 | 0 | 0 | 115.3 | T40 Y79 H80 M81 Q94 E116 | T40-P77 WeakPolarHBondContact OG1-CB 3.31Å; P77-Y79 PolarHBondContact O-N 3.3Å; P77-Y79 VanDerWaalsContact O-N 3.14Å; P77-H80 PolarHBondContact O-N 2.79Å; P77-M81 HydrophobicContact CB-CG 4.15Å; P77-M81 HydrophobicContact CB-SD 4.06Å; P77-M81 HydrophobicContact CG-SD 3.93Å; P77-M81 PolarHBondContact O-N 3.5Å; P77-Q94 VanDerWaalsContact CB-OE1 3.32Å; P77-E116 WeakPolarHBondContact CD-OE2 3.27Å; P77-E116 HydrophobicContact CG-CB 3.86Å; P77-E116 HydrophobicContact CG-CG 4.34Å; P77-E116 WeakPolarHBondContact CG-OE2 3.15Å |
| 78 | E | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -42.9 | -53.1 | -170.4 | 172.5 | 168.6 | -174.6 | 0 | 0 | 114 | S76 H80 M81 K82 E116 Y118 L222 | S76-E78 PolarHBondContact O-N 3Å; S76-E78 WeakPolarHBondContact OG-CB 3.26Å; S76-E78 PolarHBondContact OG-N 2.63Å; E78-H80 VanDerWaalsContact C-N 3.29Å; E78-H80 PolarHBondContact O-N 2.97Å; E78-M81 PolarHBondContact O-N 3.5Å; E78-M81 VanDerWaalsContact O-N 3.15Å; E78-K82 HydrophobicContact CG-CD 3.99Å; E78-K82 HydrophobicContact CG-CG 4.36Å; E78-K82 WeakPolarHBondContact O-CB 3.41Å; E78-K82 WeakPolarHBondContact O-CG 3.24Å; E78-K82 PolarHBondContact O-N 3.32Å; E78-K82 VanDerWaalsContact OE1-CE 3.27Å; E78-K82 WeakPolarHBondContact OE1-CE 3.19Å; E78-K82 IonicContact OE1-NZ 2.69Å; E78-K82 PolarHBondContact OE1-NZ 2.86Å; E78-E116 WeakPolarHBondContact CA-OE1 3.31Å; E78-E116 VanDerWaalsContact CB-OE1 3.29Å; E78-E116 WeakPolarHBondContact CB-OE1 3.5Å; E78-E116 PolarHBondContact N-OE1 3.45Å; E78-Y118 WeakPolarHBondContact CA-OH 3.5Å; E78-Y118 VanDerWaalsContact CB-OH 3.29Å; E78-Y118 WeakPolarHBondContact CB-OH 3.43Å; E78-Y118 WeakPolarHBondContact CG-OH 3.45Å; E78-L222 WeakPolarHBondContact OE1-CD2 3.23Å |
| 79 | Y | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 32 Ų | 32 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -36.6 | -174.1 | -70 | 9.9 | 0 | 0 | 0 | 112 | V48 P77 R83 L222 F262 D280 L283 | V48-Y79 HydrophobicContact CG1-CE1 4.35Å; V48-Y79 HydrophobicContact CG1-CE2 4.28Å; P77-Y79 PolarHBondContact O-N 3.3Å; P77-Y79 VanDerWaalsContact O-N 3.14Å; Y79-R83 VanDerWaalsContact O-CD 3.32Å; Y79-R83 WeakPolarHBondContact O-CD 3.28Å; Y79-R83 VanDerWaalsContact O-CG 3.22Å; Y79-R83 WeakPolarHBondContact O-CG 3.39Å; Y79-R83 PolarHBondContact O-N 3.26Å; Y79-L222 HydrophobicContact CE1-CD2 3.84Å; Y79-F262 HydrophobicContact CE1-CZ 4.24Å; Y79-F262 HydrophobicContact CE2-CZ 4.49Å; Y79-F262 AromaticContact CZ-CZ 3.76Å; Y79-F262 WeakPolarHBondContact OH-CE1 3.37Å; Y79-F262 WeakPolarHBondContact OH-CZ 3.33Å; Y79-D280 HydrophobicContact CD2-CB 3.82Å; Y79-D280 HydrophobicContact CE2-CB 3.99Å; Y79-L283 HydrophobicContact CD1-CD2 3.6Å; Y79-L283 HydrophobicContact CD2-CD2 3.97Å; Y79-L283 HydrophobicContact CE1-CD2 3.71Å; Y79-L283 HydrophobicContact CE2-CD2 4.06Å; Y79-L283 HydrophobicContact CG-CD2 3.74Å |
| 80 | H | 98.9 | Very high | 98.6 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 9% | 0.088 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.4 | -39.4 | 176.7 | -66.5 | 107.7 | 0 | 0 | 0 | 111.5 | T40 P77 E78 R83 L84 | T40-H80 HydrophobicContact CG2-CB 3.6Å; P77-H80 PolarHBondContact O-N 2.79Å; E78-H80 VanDerWaalsContact C-N 3.29Å; E78-H80 PolarHBondContact O-N 2.97Å; H80-R83 PolarHBondContact CD2-NH1 3.3Å; H80-R83 VanDerWaalsContact CD2-NH1 3.31Å; H80-R83 WeakPolarHBondContact O-CB 3.21Å; H80-R83 PolarHBondContact O-N 2.91Å; H80-L84 PolarHBondContact O-N 3.5Å |
| 81 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 177.1 | -66.4 | -172.2 | 78.8 | 0 | 0 | 111.7 | V38 T40 P77 E78 R83 L84 L85 V92 Q94 E116 Y118 | V38-M81 HydrophobicContact CG2-CE 3.94Å; T40-M81 HydrophobicContact CG2-CG 4.09Å; P77-M81 HydrophobicContact CB-CG 4.15Å; P77-M81 HydrophobicContact CB-SD 4.06Å; P77-M81 HydrophobicContact CG-SD 3.93Å; P77-M81 PolarHBondContact O-N 3.5Å; E78-M81 PolarHBondContact O-N 3.5Å; E78-M81 VanDerWaalsContact O-N 3.15Å; M81-R83 VanDerWaalsContact C-N 3.34Å; M81-R83 PolarHBondContact O-N 3.35Å; M81-L84 CarbonylContact O-C 3.49Å; M81-L84 WeakPolarHBondContact O-CA 3.4Å; M81-L84 WeakPolarHBondContact O-CB 3.4Å; M81-L84 PolarHBondContact O-N 2.96Å; M81-L84 VanDerWaalsContact O-N 3.09Å; M81-L85 WeakPolarHBondContact O-CG 3.23Å; M81-L85 PolarHBondContact O-N 3.31Å; M81-V92 HydrophobicContact CE-CB 4.09Å; M81-V92 HydrophobicContact CE-CG2 3.69Å; M81-Q94 HydrophobicContact CE-CB 4.08Å; M81-Q94 HydrophobicContact SD-CB 3.96Å; M81-E116 HydrophobicContact SD-CB 4.3Å; M81-E116 HydrophobicContact SD-CG 4.48Å; M81-Y118 HydrophobicContact CB-CD2 3.83Å; M81-Y118 HydrophobicContact CB-CE2 3.58Å; M81-Y118 HydrophobicContact CE-CD2 3.83Å; M81-Y118 HydrophobicContact CE-CE2 4.21Å; M81-Y118 HydrophobicContact CG-CE2 4.29Å; M81-Y118 HydrophobicContact SD-CD2 4.07Å; M81-Y118 HydrophobicContact SD-CE2 3.81Å |
| 82 | K | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 170.9 | -74.6 | -174.8 | 169.4 | 173.8 | 0 | 112.6 | E78 L84 L85 V86 Y118 E251 L283 M291 | E78-K82 HydrophobicContact CG-CD 3.99Å; E78-K82 HydrophobicContact CG-CG 4.36Å; E78-K82 WeakPolarHBondContact O-CB 3.41Å; E78-K82 WeakPolarHBondContact O-CG 3.24Å; E78-K82 PolarHBondContact O-N 3.32Å; E78-K82 VanDerWaalsContact OE1-CE 3.27Å; E78-K82 WeakPolarHBondContact OE1-CE 3.19Å; E78-K82 IonicContact OE1-NZ 2.69Å; E78-K82 PolarHBondContact OE1-NZ 2.86Å; K82-L84 VanDerWaalsContact C-N 3.32Å; K82-L84 PolarHBondContact O-N 2.95Å; K82-L85 WeakPolarHBondContact O-CB 3.39Å; K82-L85 PolarHBondContact O-N 2.97Å; K82-V86 WeakPolarHBondContact O-CG2 3.46Å; K82-V86 PolarHBondContact O-N 2.88Å; K82-V86 VanDerWaalsContact O-N 3.09Å; K82-Y118 HydrophobicContact CG-CE1 4.36Å; K82-E251 WeakPolarHBondContact CE-OE2 3.42Å; K82-E251 IonicContact NZ-OE2 3.71Å; K82-E251 PolarHBondContact NZ-OE2 3.23Å; K82-L283 HydrophobicContact CB-CD1 3.81Å; K82-L283 HydrophobicContact CD-CD1 4.09Å; K82-M291 HydrophobicContact CB-SD 3.84Å; K82-M291 HydrophobicContact CD-CE 4.31Å; K82-M291 HydrophobicContact CD-SD 4.08Å; K82-M291 HydrophobicContact CG-SD 3.71Å |
| 83 | R | 98.8 | Very high | 98.7 | Very high | 85 Ų | 85 | 26.5 Ų | 26.5 | 32% | 0.321 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 173 | -70.7 | 162.8 | 59.9 | -165.3 | -0.8 | 112.1 | Y79 H80 M81 A87 A286 | Y79-R83 VanDerWaalsContact O-CD 3.32Å; Y79-R83 WeakPolarHBondContact O-CD 3.28Å; Y79-R83 VanDerWaalsContact O-CG 3.22Å; Y79-R83 WeakPolarHBondContact O-CG 3.39Å; Y79-R83 PolarHBondContact O-N 3.26Å; H80-R83 PolarHBondContact CD2-NH1 3.3Å; H80-R83 VanDerWaalsContact CD2-NH1 3.31Å; H80-R83 WeakPolarHBondContact O-CB 3.21Å; H80-R83 PolarHBondContact O-N 2.91Å; M81-R83 VanDerWaalsContact C-N 3.34Å; M81-R83 PolarHBondContact O-N 3.35Å; R83-A87 PolarHBondContact O-N 3.44Å; R83-A286 HydrophobicContact CB-CB 4.45Å; R83-A286 HydrophobicContact CG-CB 3.83Å |
| 84 | L | 98.8 | Very high | 98.7 | Very high | 60 Ų | 60 | 25 Ų | 25 | 31% | 0.314 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 173.4 | -75.7 | 173.7 | 0 | 0 | 0 | 112.4 | V38 T40 H80 M81 K82 V86 A87 G88 C89 | V38-L84 HydrophobicContact CB-CD1 4.23Å; V38-L84 HydrophobicContact CG1-CD1 4.36Å; V38-L84 HydrophobicContact CG2-CD1 4.11Å; T40-L84 HydrophobicContact CG2-CD1 3.86Å; H80-L84 PolarHBondContact O-N 3.5Å; M81-L84 CarbonylContact O-C 3.49Å; M81-L84 WeakPolarHBondContact O-CA 3.4Å; M81-L84 WeakPolarHBondContact O-CB 3.4Å; M81-L84 PolarHBondContact O-N 2.96Å; M81-L84 VanDerWaalsContact O-N 3.09Å; K82-L84 VanDerWaalsContact C-N 3.32Å; K82-L84 PolarHBondContact O-N 2.95Å; L84-V86 VanDerWaalsContact C-N 3.35Å; L84-V86 PolarHBondContact O-N 3.43Å; L84-A87 CarbonylContact O-C 3.41Å; L84-A87 WeakPolarHBondContact O-CA 3.27Å; L84-A87 WeakPolarHBondContact O-CB 3.25Å; L84-A87 PolarHBondContact O-N 3.03Å; L84-A87 VanDerWaalsContact O-N 3.07Å; L84-G88 PolarHBondContact O-N 3.45Å; L84-G88 VanDerWaalsContact O-N 3.14Å; L84-C89 HydrophobicContact CB-CB 4.2Å; L84-C89 WeakPolarHBondContact O-CB 3.2Å; L84-C89 PolarHBondContact O-N 3.13Å; L84-C89 VanDerWaalsContact O-N 3.14Å; L84-C89 PolarHBondContact O-SG 2.94Å |
| 85 | L | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 175.4 | -73.1 | 169.9 | 0 | 0 | 0 | 111.2 | M81 K82 A87 G88 G90 V92 Y118 P120 M291 | M81-L85 WeakPolarHBondContact O-CG 3.23Å; M81-L85 PolarHBondContact O-N 3.31Å; K82-L85 WeakPolarHBondContact O-CB 3.39Å; K82-L85 PolarHBondContact O-N 2.97Å; L85-A87 VanDerWaalsContact C-N 3.25Å; L85-A87 PolarHBondContact O-N 2.89Å; L85-G88 PolarHBondContact O-N 3.37Å; L85-G90 WeakPolarHBondContact CD2-O 3.36Å; L85-V92 HydrophobicContact CD2-CG2 4.4Å; L85-Y118 HydrophobicContact CD1-CD1 3.76Å; L85-Y118 HydrophobicContact CD1-CG 3.78Å; L85-P120 HydrophobicContact CD2-CG 3.95Å; L85-M291 HydrophobicContact CB-CG 4.24Å; L85-M291 HydrophobicContact CD1-SD 4.26Å |
| 86 | V | 98.7 | Very high | 98.8 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 19% | 0.188 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -35.4 | 173.8 | 175 | 0 | 0 | 0 | 0 | 111.3 | K82 L84 G88 A286 V289 M291 | K82-V86 WeakPolarHBondContact O-CG2 3.46Å; K82-V86 PolarHBondContact O-N 2.88Å; K82-V86 VanDerWaalsContact O-N 3.09Å; L84-V86 VanDerWaalsContact C-N 3.35Å; L84-V86 PolarHBondContact O-N 3.43Å; V86-G88 PolarHBondContact O-N 3.38Å; V86-A286 HydrophobicContact CB-CB 4.17Å; V86-A286 HydrophobicContact CG1-CB 4.2Å; V86-A286 WeakPolarHBondContact CG1-O 3.47Å; V86-A286 HydrophobicContact CG2-CB 3.98Å; V86-A286 WeakPolarHBondContact CG2-O 3.49Å; V86-V289 HydrophobicContact CG1-CB 3.88Å; V86-V289 HydrophobicContact CG1-CG1 3.84Å; V86-M291 HydrophobicContact CG2-CB 3.67Å; V86-M291 HydrophobicContact CG2-CG 4.09Å |
| 87 | A | 98.8 | Very high | 98.8 | Very high | 83 Ų | 83 | 30.2 Ų | 30.2 | 69% | 0.686 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -0.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | R83 L84 L85 | R83-A87 PolarHBondContact O-N 3.44Å; L84-A87 CarbonylContact O-C 3.41Å; L84-A87 WeakPolarHBondContact O-CA 3.27Å; L84-A87 WeakPolarHBondContact O-CB 3.25Å; L84-A87 PolarHBondContact O-N 3.03Å; L84-A87 VanDerWaalsContact O-N 3.07Å; L85-A87 VanDerWaalsContact C-N 3.25Å; L85-A87 PolarHBondContact O-N 2.89Å |
| 88 | G | 98.5 | Very high | 98.8 | Very high | 63 Ų | 63 | 30.1 Ų | 30.1 | 65% | 0.649 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 28 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L84 L85 V86 G90 | L84-G88 PolarHBondContact O-N 3.45Å; L84-G88 VanDerWaalsContact O-N 3.14Å; L85-G88 PolarHBondContact O-N 3.37Å; V86-G88 PolarHBondContact O-N 3.38Å; G88-G90 PolarHBondContact O-N 2.92Å |
| 89 | C | 98.5 | Very high | 98.8 | Very high | 35 Ų | 35 | 30.5 Ų | 30.5 | 24% | 0.236 | 18% | 0.184 | C | C | . | . | trans | -65.7 | -17.8 | 178.9 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | L84 V92 | L84-C89 HydrophobicContact CB-CB 4.2Å; L84-C89 WeakPolarHBondContact O-CB 3.2Å; L84-C89 PolarHBondContact O-N 3.13Å; L84-C89 VanDerWaalsContact O-N 3.14Å; L84-C89 PolarHBondContact O-SG 2.94Å; C89-V92 HydrophobicContact CB-CG1 3.82Å; C89-V92 WeakPolarHBondContact SG-CG1 3.34Å | ||
| 90 | G | 98.7 | Very high | 98.7 | Very high | 25 Ų | 25 | 32.9 Ų | 32.9 | 26% | 0.258 | 19% | 0.194 | S | C | . | . | trans | 73.6 | -155.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L85 G88 V92 | L85-G90 WeakPolarHBondContact CD2-O 3.36Å; G88-G90 PolarHBondContact O-N 2.92Å; G90-V92 PolarHBondContact O-N 3.38Å | ||
| 91 | P | 98.9 | Very high | 98.6 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -67.5 | 123.3 | 178.6 | 28.9 | -33.8 | 0 | 0 | 0 | 110.7 | V35 L36 Y118 | V35-P91 HydrophobicContact CG1-CB 4.29Å; L36-P91 PolarHBondContact N-O 3.36Å; P91-Y118 WeakPolarHBondContact CA-O 3.45Å |
| 92 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.6 | -175.4 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | V35 L36 V38 M81 L85 C89 G90 W117 Y118 | V35-V92 VanDerWaalsContact CG1-C 3.47Å; L36-V92 HydrophobicContact CB-CG1 4.03Å; L36-V92 HydrophobicContact CD2-CG1 4.1Å; L36-V92 HydrophobicContact CG-CG1 4.28Å; L36-V92 CarbonylContact O-C 3.58Å; L36-V92 WeakPolarHBondContact O-CA 3.3Å; V38-V92 HydrophobicContact CG1-CB 4.22Å; V38-V92 HydrophobicContact CG1-CG1 3.71Å; V38-V92 HydrophobicContact CG2-CB 4.26Å; M81-V92 HydrophobicContact CE-CB 4.09Å; M81-V92 HydrophobicContact CE-CG2 3.69Å; L85-V92 HydrophobicContact CD2-CG2 4.4Å; C89-V92 HydrophobicContact CB-CG1 3.82Å; C89-V92 WeakPolarHBondContact SG-CG1 3.34Å; G90-V92 PolarHBondContact O-N 3.38Å; V92-W117 CarbonylContact O-C 3.43Å; V92-W117 WeakPolarHBondContact O-CA 3.4Å; V92-W117 VanDerWaalsContact O-CB 3.25Å; V92-W117 WeakPolarHBondContact O-CB 3.35Å; V92-Y118 PolarHBondContact N-O 2.97Å; V92-Y118 PolarHBondContact O-N 2.9Å |
| 93 | F | 98.9 | Very high | 97 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 160.4 | 167.5 | 82.7 | -78.3 | 0 | 0 | 0 | 110.5 | R27 F30 V35 L36 E37 V38 L95 L115 E116 W117 | R27-F93 HydrophobicContact CG-CE2 4.3Å; R27-F93 HydrophobicContact CG-CZ 4.25Å; F30-F93 HydrophobicContact CB-CD1 3.53Å; F30-F93 HydrophobicContact CB-CD2 4.4Å; F30-F93 HydrophobicContact CB-CE1 3.44Å; F30-F93 VanDerWaalsContact CB-CE1 3.44Å; F30-F93 HydrophobicContact CB-CE2 4.34Å; F30-F93 HydrophobicContact CB-CG 4.01Å; F30-F93 HydrophobicContact CB-CZ 3.88Å; F30-F93 HydrophobicContact CD1-CB 4.18Å; F30-F93 HydrophobicContact CD1-CD1 4.31Å; F30-F93 HydrophobicContact CD1-CG 4.21Å; F30-F93 HydrophobicContact CD2-CB 4.29Å; F30-F93 HydrophobicContact CD2-CD1 4.19Å; F30-F93 AromaticContact CD2-CD2 3.63Å; F30-F93 HydrophobicContact CD2-CD2 3.63Å; F30-F93 HydrophobicContact CD2-CE1 4.43Å; F30-F93 AromaticContact CD2-CE2 3.92Å; F30-F93 HydrophobicContact CD2-CE2 3.92Å; F30-F93 AromaticContact CD2-CG 3.78Å; F30-F93 HydrophobicContact CD2-CG 3.78Å; F30-F93 HydrophobicContact CD2-CZ 4.31Å; F30-F93 HydrophobicContact CE1-CB 4.31Å; F30-F93 HydrophobicContact CE2-CB 4.45Å; F30-F93 HydrophobicContact CE2-CD2 4.13Å; F30-F93 HydrophobicContact CE2-CG 4.34Å; F30-F93 HydrophobicContact CG-CB 4.18Å; F30-F93 AromaticContact CG-CD1 3.76Å; F30-F93 HydrophobicContact CG-CD1 3.76Å; F30-F93 HydrophobicContact CG-CD2 4.05Å; F30-F93 HydrophobicContact CG-CE1 4.09Å; F30-F93 HydrophobicContact CG-CE2 4.38Å; F30-F93 AromaticContact CG-CG 3.72Å; F30-F93 HydrophobicContact CG-CG 3.72Å; F30-F93 HydrophobicContact CG-CZ 4.4Å; F30-F93 HydrophobicContact CZ-CB 4.45Å; V35-F93 HydrophobicContact CB-CD1 4.15Å; V35-F93 HydrophobicContact CG1-CB 4.04Å; V35-F93 HydrophobicContact CG1-CD1 3.88Å; V35-F93 HydrophobicContact CG1-CG 4.44Å; V35-F93 WeakPolarHBondContact O-CE1 3.49Å; L36-F93 PolarHBondContact O-N 3.02Å; E37-F93 CarbonylContact C-O 3.52Å; E37-F93 VanDerWaalsContact CA-O 3.31Å; E37-F93 WeakPolarHBondContact CA-O 3.42Å; E37-F93 HydrophobicContact CB-CD1 4.19Å; E37-F93 HydrophobicContact CB-CE1 3.48Å; E37-F93 VanDerWaalsContact CB-CE1 3.48Å; E37-F93 HydrophobicContact CB-CE2 4.22Å; E37-F93 HydrophobicContact CB-CZ 3.49Å; E37-F93 VanDerWaalsContact CB-CZ 3.49Å; E37-F93 HydrophobicContact CG-CE1 4.06Å; E37-F93 HydrophobicContact CG-CE2 3.85Å; E37-F93 HydrophobicContact CG-CZ 3.6Å; V38-F93 PolarHBondContact N-O 2.95Å; F93-L95 HydrophobicContact CE2-CD1 4.23Å; F93-L95 HydrophobicContact CE2-CG 4.38Å; F93-L115 HydrophobicContact CD2-CD1 3.86Å; F93-E116 CarbonylContact C-O 3.58Å; F93-E116 VanDerWaalsContact CA-O 3.27Å; F93-E116 WeakPolarHBondContact CA-O 3.32Å; F93-W117 HydrophobicContact CB-CB 3.46Å; F93-W117 VanDerWaalsContact CB-CB 3.46Å |
| 94 | Q | 98.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 135.7 | 175.7 | 177.2 | 169.7 | 5.6 | 0 | 0 | 110.2 | V38 T40 P77 M81 C96 L115 E116 | V38-Q94 HydrophobicContact CG2-CB 4.22Å; V38-Q94 WeakPolarHBondContact O-CB 3.45Å; V38-Q94 WeakPolarHBondContact O-CG 3.36Å; T40-Q94 VanDerWaalsContact OG1-CD 3.28Å; T40-Q94 PolarHBondContact OG1-NE2 3.47Å; T40-Q94 PolarHBondContact OG1-OE1 3.32Å; P77-Q94 VanDerWaalsContact CB-OE1 3.32Å; M81-Q94 HydrophobicContact CE-CB 4.08Å; M81-Q94 HydrophobicContact SD-CB 3.96Å; Q94-C96 HydrophobicContact CG-CB 3.76Å; Q94-L115 WeakPolarHBondContact O-CA 3.48Å; Q94-E116 PolarHBondContact N-O 3.47Å; Q94-E116 PolarHBondContact O-N 3.33Å |
| 95 | L | 98.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 93.1 | 166.9 | -79.2 | 165.1 | 0 | 0 | 0 | 108.9 | M23 I26 R27 F93 M114 L115 V301 | M23-L95 HydrophobicContact CE-CB 4.23Å; M23-L95 HydrophobicContact CE-CD1 3.91Å; M23-L95 HydrophobicContact CE-CD2 4Å; M23-L95 HydrophobicContact CE-CG 4.28Å; M23-L95 HydrophobicContact SD-CD2 4.34Å; I26-L95 HydrophobicContact CG2-CD1 4.14Å; I26-L95 HydrophobicContact CG2-CD2 4.34Å; R27-L95 HydrophobicContact CG-CD1 3.8Å; F93-L95 HydrophobicContact CE2-CD1 4.23Å; F93-L95 HydrophobicContact CE2-CG 4.38Å; L95-M114 WeakPolarHBondContact CA-O 3.34Å; L95-L115 HydrophobicContact CD2-CB 3.83Å; L95-L115 HydrophobicContact CD2-CD1 3.87Å; L95-L115 HydrophobicContact CD2-CG 4.4Å; L95-L115 HydrophobicContact CG-CD1 4.04Å; L95-V301 HydrophobicContact CD2-CG2 3.77Å |
| 96 | C | 98.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 10% | 0.101 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 164.8 | -174.2 | 60.9 | 0 | 0 | 0 | 0 | 114 | Q94 T113 M114 | Q94-C96 HydrophobicContact CG-CB 3.76Å; C96-T113 CarbonylContact O-C 3.57Å; C96-T113 WeakPolarHBondContact O-CA 3.38Å; C96-M114 PolarHBondContact N-O 3.06Å; C96-M114 PolarHBondContact O-N 3.47Å |
| 97 | R | 98.7 | Very high | 95.7 | Very high | 103 Ų | 103 | 53.5 Ų | 53.5 | 39% | 0.389 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 131.8 | 162.2 | -170.8 | 58.3 | 47.5 | 85.1 | -1.4 | 108.9 | F99 E111 F112 | R97-F99 HydrophobicContact CB-CE2 4.23Å; R97-F99 HydrophobicContact CB-CZ 4Å; R97-F99 HydrophobicContact CG-CD1 4.46Å; R97-F99 HydrophobicContact CG-CE1 3.69Å; R97-F99 HydrophobicContact CG-CE2 3.94Å; R97-F99 HydrophobicContact CG-CZ 3.4Å; R97-E111 WeakPolarHBondContact CD-OE2 3.3Å; R97-E111 HydrophobicContact CG-CB 4.24Å; R97-E111 IonicContact CZ-OE2 3.45Å; R97-E111 IonicContact NH1-OE2 3.44Å; R97-E111 PolarHBondContact NH1-OE2 2.79Å; R97-F112 WeakPolarHBondContact CA-O 3.12Å; R97-F112 VanDerWaalsContact CD-O 3.3Å; R97-F112 WeakPolarHBondContact CD-O 3.3Å |
| 98 | S | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 154.9 | 172.6 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | M74 E111 F112 M114 | M74-S98 WeakPolarHBondContact O-CA 3.38Å; S98-E111 CarbonylContact O-C 3.45Å; S98-E111 VanDerWaalsContact O-CA 3.3Å; S98-E111 WeakPolarHBondContact O-CA 3.46Å; S98-F112 PolarHBondContact N-O 2.82Å; S98-F112 PolarHBondContact O-N 2.86Å; S98-M114 VanDerWaalsContact CB-CE 3.48Å; S98-M114 WeakPolarHBondContact OG-CE 3.07Å |
| 99 | F | 98.7 | Very high | 95.4 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123.1 | -167.3 | -51.8 | -93.2 | 0 | 0 | 0 | 109.9 | C42 F56 L73 M74 T75 R97 P110 E111 | C42-F99 HydrophobicContact CB-CE2 3.95Å; F56-F99 HydrophobicContact CD2-CB 4.13Å; L73-F99 HydrophobicContact CB-CB 3.69Å; L73-F99 HydrophobicContact CB-CD2 3.77Å; L73-F99 HydrophobicContact CB-CG 3.77Å; L73-F99 HydrophobicContact CD1-CB 4.12Å; L73-F99 HydrophobicContact CD1-CD1 3.77Å; L73-F99 HydrophobicContact CD1-CD2 4.28Å; L73-F99 HydrophobicContact CD1-CE1 4.23Å; L73-F99 HydrophobicContact CD1-CG 3.79Å; L73-F99 HydrophobicContact CG-CG 4.39Å; M74-F99 PolarHBondContact O-N 2.99Å; T75-F99 WeakPolarHBondContact CA-O 3.49Å; T75-F99 WeakPolarHBondContact CG2-O 3.28Å; R97-F99 HydrophobicContact CB-CE2 4.23Å; R97-F99 HydrophobicContact CB-CZ 4Å; R97-F99 HydrophobicContact CG-CD1 4.46Å; R97-F99 HydrophobicContact CG-CE1 3.69Å; R97-F99 HydrophobicContact CG-CE2 3.94Å; R97-F99 HydrophobicContact CG-CZ 3.4Å; F99-P110 CarbonylContact C-O 3.58Å; F99-P110 WeakPolarHBondContact CA-O 3.15Å; F99-E111 HydrophobicContact CD1-CB 3.75Å; F99-E111 HydrophobicContact CE1-CB 3.95Å |
| 100 | R | 98 | Very high | 95.3 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | trans | -134.5 | 121.2 | 178 | -64.8 | 178.8 | -173.7 | -179.4 | 1.5 | 108.6 | L53 T75 E103 P110 F112 | L53-R100 HydrophobicContact CD2-CB 4.43Å; L53-R100 VanDerWaalsContact CD2-CD 3.46Å; L53-R100 HydrophobicContact CD2-CG 3.7Å; T75-R100 HydrophobicContact CG2-CG 4.22Å; T75-R100 PolarHBondContact O-NE 2.93Å; R100-E103 HydrophobicContact CB-CB 4.42Å; R100-E103 HydrophobicContact CB-CG 4.24Å; R100-E103 WeakPolarHBondContact CD-OE1 3.42Å; R100-E103 WeakPolarHBondContact CD-OE2 3.33Å; R100-E103 IonicContact NH1-OE1 3.27Å; R100-P110 PolarHBondContact N-O 2.85Å; R100-P110 WeakPolarHBondContact O-CA 3.45Å; R100-F112 HydrophobicContact CB-CE1 4.32Å; R100-F112 HydrophobicContact CG-CE1 3.81Å; R100-F112 HydrophobicContact CG-CZ 4.31Å | ||
| 101 | N | 95.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 159.6 | 178.5 | -156.8 | -1.3 | 0 | 0 | 0 | 109.8 | V54 F56 E103 | V54-N101 HydrophobicContact CB-CB 4.22Å; V54-N101 HydrophobicContact CG1-CB 4.03Å; V54-N101 WeakPolarHBondContact O-CA 3.44Å; V54-N101 WeakPolarHBondContact O-CB 3.47Å; V54-N101 PolarHBondContact O-N 3.33Å; F56-N101 HydrophobicContact CD2-CB 3.93Å; F56-N101 HydrophobicContact CE2-CB 3.84Å; F56-N101 HydrophobicContact CG-CB 4.31Å; F56-N101 HydrophobicContact CZ-CB 4.15Å; N101-E103 PolarHBondContact O-N 3.01Å |
| 102 | E | 84.5 | Confident | 95.3 | Very high | 159 Ų | 159 | 50.7 Ų | 50.7 | 74% | 0.743 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | -0 | -177.5 | -53.8 | -174.8 | -179.5 | 0 | 0 | 116.1 | V54 | V54-E102 HydrophobicContact CB-CG 4.46Š|
| 103 | E | 80.9 | Confident | 95.3 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | trans | -97.7 | 97 | 177.5 | -71.6 | -174.2 | -151.3 | 0 | 0 | 111.8 | R100 N101 H108 N109 P110 | R100-E103 HydrophobicContact CB-CB 4.42Å; R100-E103 HydrophobicContact CB-CG 4.24Å; R100-E103 WeakPolarHBondContact CD-OE1 3.42Å; R100-E103 WeakPolarHBondContact CD-OE2 3.33Å; R100-E103 IonicContact NH1-OE1 3.27Å; N101-E103 PolarHBondContact O-N 3.01Å; E103-H108 HydrophobicContact CB-CB 4.19Å; E103-H108 IonicContact OE2-CD2 2.79Å; E103-H108 PolarHBondContact OE2-CD2 3.28Å; E103-N109 CarbonylContact O-C 3.6Å; E103-P110 WeakPolarHBondContact O-CD 3.33Å | ||
| 104 | M | 85 | Confident | 95.3 | Very high | 146 Ų | 146 | 51.2 Ų | 51.2 | 72% | 0.719 | 24% | 0.244 | S | C | * | . | trans | -136.4 | 128.7 | 171 | -173.6 | -175.2 | 74.4 | 0 | 0 | 110.4 | V322 | M104-V322 HydrophobicContact CG-CG1 4.36Å; M104-V322 HydrophobicContact SD-CG1 3.99Å | ||
| 105 | G | 92.2 | Very high | 95.3 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | 173 | -166.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y107 H108 | G105-Y107 PolarHBondContact O-N 2.73Å; G105-Y107 VanDerWaalsContact O-N 3.16Å; G105-H108 PolarHBondContact N-O 3.25Å; G105-H108 PolarHBondContact O-N 2.69Å |
| 106 | R | 94.3 | Very high | 95.3 | Very high | 117 Ų | 117 | 49.9 Ų | 49.9 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -38.9 | -178.3 | -173 | 176.7 | 178.6 | 163.7 | 1.8 | 113.2 | E312 T313 L314 | R106-E312 VanDerWaalsContact CZ-O 3.3Å; R106-E312 IonicContact CZ-OE2 3.93Å; R106-E312 PolarHBondContact NE-O 3.39Å; R106-E312 PolarHBondContact NH2-O 2.84Å; R106-E312 IonicContact NH2-OE2 2.96Å; R106-E312 PolarHBondContact NH2-OE2 3.24Å; R106-T313 HydrophobicContact CG-CG2 4.21Å; R106-L314 PolarHBondContact O-N 2.92Å |
| 107 | Y | 95.6 | Very high | 95.3 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 27% | 0.271 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 12.3 | -175.9 | -50.9 | -49.6 | 0 | 0 | 0 | 113.9 | G105 I243 R303 M306 | G105-Y107 PolarHBondContact O-N 2.73Å; G105-Y107 VanDerWaalsContact O-N 3.16Å; Y107-I243 HydrophobicContact CD1-CD1 4.47Å; Y107-I243 HydrophobicContact CD1-CG1 4.18Å; Y107-I243 HydrophobicContact CE1-CD1 3.98Å; Y107-I243 HydrophobicContact CE1-CG1 3.9Å; Y107-I243 HydrophobicContact CE2-CG1 4.37Å; Y107-R303 PolarHBondContact O-NE 3.04Å; Y107-R303 VanDerWaalsContact O-NE 3.12Å; Y107-R303 PolarHBondContact O-NH2 3.24Å; Y107-M306 HydrophobicContact CD1-CE 3.66Å; Y107-M306 HydrophobicContact CD1-SD 4.09Å; Y107-M306 HydrophobicContact CE1-CE 3.69Å; Y107-M306 HydrophobicContact CE1-SD 4.29Å |
| 108 | H | 95.6 | Very high | 95.3 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 33% | 0.329 | 21% | 0.214 | S | C | . | . | B | Isolated β-bridge | trans | -138.6 | 133.5 | -174 | -60.6 | 92.7 | 0 | 0 | 0 | 110.7 | E103 G105 R303 | E103-H108 HydrophobicContact CB-CB 4.19Å; E103-H108 IonicContact OE2-CD2 2.79Å; E103-H108 PolarHBondContact OE2-CD2 3.28Å; G105-H108 PolarHBondContact N-O 3.25Å; G105-H108 PolarHBondContact O-N 2.69Å; H108-R303 PolarHBondContact CD2-NH2 3.3Å; H108-R303 VanDerWaalsContact CD2-NH2 3.27Å; H108-R303 PolarHBondContact NE2-NH2 3.4Å |
| 109 | N | 95.3 | Very high | 95.3 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | trans | -131 | 141 | 169.2 | -168.9 | 78.8 | 0 | 0 | 0 | 107.6 | E103 E111 L314 I318 V322 | E103-N109 CarbonylContact O-C 3.6Å; N109-E111 PolarHBondContact ND2-O 3Å; N109-E111 CarbonylContact O-C 3.57Å; N109-E111 PolarHBondContact O-N 3Å; N109-L314 HydrophobicContact CB-CD2 4.23Å; N109-I318 HydrophobicContact CB-CD1 3.87Å; N109-V322 PolarHBondContact OD1-N 2.93Å | ||
| 110 | P | 97.3 | Very high | 95.3 | Very high | 22 Ų | 22 | 45 Ų | 45 | 14% | 0.143 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -57.8 | -25.4 | -173.9 | -27.7 | 35.2 | 0 | 0 | 0 | 114.2 | F56 F99 R100 E103 V322 | F56-P110 HydrophobicContact CE2-CB 3.97Å; F56-P110 HydrophobicContact CZ-CB 4.01Å; F99-P110 CarbonylContact C-O 3.58Å; F99-P110 WeakPolarHBondContact CA-O 3.15Å; R100-P110 PolarHBondContact N-O 2.85Å; R100-P110 WeakPolarHBondContact O-CA 3.45Å; E103-P110 WeakPolarHBondContact O-CD 3.33Å; P110-V322 HydrophobicContact CG-CB 4.43Å; P110-V322 HydrophobicContact CG-CG2 4.2Å |
| 111 | E | 98.3 | Very high | 95.3 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.2 | 166.2 | 74.1 | 170.9 | 137.6 | 0 | 0 | 110.3 | R97 S98 F99 N109 | R97-E111 WeakPolarHBondContact CD-OE2 3.3Å; R97-E111 HydrophobicContact CG-CB 4.24Å; R97-E111 IonicContact CZ-OE2 3.45Å; R97-E111 IonicContact NH1-OE2 3.44Å; R97-E111 PolarHBondContact NH1-OE2 2.79Å; S98-E111 CarbonylContact O-C 3.45Å; S98-E111 VanDerWaalsContact O-CA 3.3Å; S98-E111 WeakPolarHBondContact O-CA 3.46Å; F99-E111 HydrophobicContact CD1-CB 3.75Å; F99-E111 HydrophobicContact CE1-CB 3.95Å; N109-E111 PolarHBondContact ND2-O 3Å; N109-E111 CarbonylContact O-C 3.57Å; N109-E111 PolarHBondContact O-N 3Å |
| 112 | F | 98.4 | Very high | 95.5 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 158.7 | -176.5 | 64.1 | -87.1 | 0 | 0 | 0 | 111.6 | R97 S98 R100 M114 D302 | R97-F112 WeakPolarHBondContact CA-O 3.12Å; R97-F112 VanDerWaalsContact CD-O 3.3Å; R97-F112 WeakPolarHBondContact CD-O 3.3Å; S98-F112 PolarHBondContact N-O 2.82Å; S98-F112 PolarHBondContact O-N 2.86Å; R100-F112 HydrophobicContact CB-CE1 4.32Å; R100-F112 HydrophobicContact CG-CE1 3.81Å; R100-F112 HydrophobicContact CG-CZ 4.31Å; F112-M114 HydrophobicContact CE2-CB 4.14Å; F112-M114 HydrophobicContact CE2-CE 3.85Å; F112-M114 HydrophobicContact CE2-SD 3.87Å; F112-M114 HydrophobicContact CZ-CE 4Å; F112-M114 HydrophobicContact CZ-SD 4.44Å; F112-D302 WeakPolarHBondContact CA-OD2 3.37Å; F112-D302 VanDerWaalsContact CB-OD2 3.28Å; F112-D302 WeakPolarHBondContact CB-OD2 3.3Å |
| 113 | T | 98.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 122.1 | 179.7 | -51 | 0 | 0 | 0 | 0 | 109.8 | R19 M23 C96 V301 D302 | R19-T113 PolarHBondContact NH2-OG1 3.32Å; M23-T113 HydrophobicContact CE-CG2 4.22Å; C96-T113 CarbonylContact O-C 3.57Å; C96-T113 WeakPolarHBondContact O-CA 3.38Å; T113-V301 HydrophobicContact CG2-CB 4.02Å; T113-V301 HydrophobicContact CG2-CG1 4.34Å; T113-V301 HydrophobicContact CG2-CG2 4.18Å; T113-V301 WeakPolarHBondContact O-CB 3.48Å; T113-V301 PolarHBondContact O-N 3.47Å; T113-D302 PolarHBondContact N-OD2 3.41Å |
| 114 | M | 98.7 | Very high | 97 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139 | 177.2 | -169.3 | 133.8 | 51 | 0 | 0 | 109.9 | T75 L95 C96 S98 F112 E116 A298 L299 | T75-M114 VanDerWaalsContact O-CE 3.31Å; T75-M114 WeakPolarHBondContact O-CE 3.46Å; L95-M114 WeakPolarHBondContact CA-O 3.34Å; C96-M114 PolarHBondContact N-O 3.06Å; C96-M114 PolarHBondContact O-N 3.47Å; S98-M114 VanDerWaalsContact CB-CE 3.48Å; S98-M114 WeakPolarHBondContact OG-CE 3.07Å; F112-M114 HydrophobicContact CE2-CB 4.14Å; F112-M114 HydrophobicContact CE2-CE 3.85Å; F112-M114 HydrophobicContact CE2-SD 3.87Å; F112-M114 HydrophobicContact CZ-CE 4Å; F112-M114 HydrophobicContact CZ-SD 4.44Å; M114-E116 HydrophobicContact CG-CB 4.48Å; M114-A298 HydrophobicContact CG-CB 4.32Å; M114-A298 HydrophobicContact SD-CB 3.81Å; M114-L299 WeakPolarHBondContact CA-O 3.21Å |
| 115 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 113.5 | 165.3 | 168.6 | 65.4 | 0 | 0 | 0 | 106.6 | I26 F30 F93 Q94 L95 W117 L134 L299 V301 | I26-L115 HydrophobicContact CG2-CD1 3.99Å; I26-L115 HydrophobicContact CG2-CD2 3.81Å; I26-L115 HydrophobicContact CG2-CG 4.48Å; F30-L115 HydrophobicContact CD2-CD1 4.33Å; F30-L115 HydrophobicContact CE2-CD1 3.55Å; F30-L115 HydrophobicContact CE2-CD2 3.8Å; F30-L115 HydrophobicContact CE2-CG 4.18Å; F30-L115 HydrophobicContact CZ-CD1 4.14Å; F30-L115 HydrophobicContact CZ-CD2 4.17Å; F30-L115 HydrophobicContact CZ-CG 4.5Å; F93-L115 HydrophobicContact CD2-CD1 3.86Å; Q94-L115 WeakPolarHBondContact O-CA 3.48Å; L95-L115 HydrophobicContact CD2-CB 3.83Å; L95-L115 HydrophobicContact CD2-CD1 3.87Å; L95-L115 HydrophobicContact CD2-CG 4.4Å; L95-L115 HydrophobicContact CG-CD1 4.04Å; L115-W117 HydrophobicContact CD1-CE3 4.43Å; L115-W117 HydrophobicContact CD2-CE3 4.17Å; L115-W117 HydrophobicContact CD2-CZ3 3.77Å; L115-W117 HydrophobicContact CG-CE3 3.86Å; L115-W117 HydrophobicContact CG-CZ3 3.87Å; L115-L134 HydrophobicContact CD2-CD2 3.57Å; L115-L299 HydrophobicContact CB-CB 4.31Å; L115-L299 HydrophobicContact CB-CD2 4.33Å; L115-L299 HydrophobicContact CD2-CD2 4.38Å; L115-L299 PolarHBondContact N-O 3.27Å; L115-L299 PolarHBondContact O-N 3.42Å; L115-V301 HydrophobicContact CB-CG2 3.51Å |
| 116 | E | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.7 | 177.8 | -161.2 | 172 | 128.4 | 0 | 0 | 110.1 | S76 P77 E78 M81 F93 Q94 M114 Y118 V297 A298 | S76-E116 PolarHBondContact OG-OE1 2.97Å; S76-E116 PolarHBondContact OG-OE2 3.16Å; P77-E116 WeakPolarHBondContact CD-OE2 3.27Å; P77-E116 HydrophobicContact CG-CB 3.86Å; P77-E116 HydrophobicContact CG-CG 4.34Å; P77-E116 WeakPolarHBondContact CG-OE2 3.15Å; E78-E116 WeakPolarHBondContact CA-OE1 3.31Å; E78-E116 VanDerWaalsContact CB-OE1 3.29Å; E78-E116 WeakPolarHBondContact CB-OE1 3.5Å; E78-E116 PolarHBondContact N-OE1 3.45Å; M81-E116 HydrophobicContact SD-CB 4.3Å; M81-E116 HydrophobicContact SD-CG 4.48Å; F93-E116 CarbonylContact C-O 3.58Å; F93-E116 VanDerWaalsContact CA-O 3.27Å; F93-E116 WeakPolarHBondContact CA-O 3.32Å; Q94-E116 PolarHBondContact N-O 3.47Å; Q94-E116 PolarHBondContact O-N 3.33Å; M114-E116 HydrophobicContact CG-CB 4.48Å; E116-Y118 HydrophobicContact CG-CE2 3.94Å; E116-Y118 WeakPolarHBondContact OE1-CE2 3.41Å; E116-Y118 PolarHBondContact OE1-OH 3.21Å; E116-V297 VanDerWaalsContact CA-O 3.31Å; E116-V297 WeakPolarHBondContact CA-O 3.47Å; E116-V297 WeakPolarHBondContact CG-O 3.39Å; E116-A298 HydrophobicContact CB-CB 4.46Å; E116-A298 HydrophobicContact CG-CB 3.9Å |
| 117 | W | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.6 | 179.1 | 76.8 | 101.1 | 0 | 0 | 0 | 112.7 | F30 V92 F93 L115 L127 E130 V131 L134 G296 V297 L299 | F30-W117 HydrophobicContact CE1-CB 4.23Å; F30-W117 AromaticContact CE1-CD1 3.83Å; F30-W117 AromaticContact CE1-CD2 3.88Å; F30-W117 HydrophobicContact CE1-CD2 3.88Å; F30-W117 AromaticContact CE1-CE2 3.99Å; F30-W117 HydrophobicContact CE1-CE3 4.49Å; F30-W117 AromaticContact CE1-CG 3.76Å; F30-W117 HydrophobicContact CE1-CG 3.76Å; F30-W117 AromaticContact CE1-NE1 3.94Å; F30-W117 HydrophobicContact CZ-CB 4.43Å; F30-W117 AromaticContact CZ-CD2 3.67Å; F30-W117 HydrophobicContact CZ-CD2 3.67Å; F30-W117 AromaticContact CZ-CE2 3.95Å; F30-W117 AromaticContact CZ-CE3 3.83Å; F30-W117 HydrophobicContact CZ-CE3 3.83Å; F30-W117 AromaticContact CZ-CG 3.98Å; F30-W117 HydrophobicContact CZ-CG 3.98Å; F30-W117 HydrophobicContact CZ-CH2 4.48Å; F30-W117 HydrophobicContact CZ-CZ2 4.35Å; F30-W117 HydrophobicContact CZ-CZ3 4.24Å; V92-W117 CarbonylContact O-C 3.43Å; V92-W117 WeakPolarHBondContact O-CA 3.4Å; V92-W117 VanDerWaalsContact O-CB 3.25Å; V92-W117 WeakPolarHBondContact O-CB 3.35Å; F93-W117 HydrophobicContact CB-CB 3.46Å; F93-W117 VanDerWaalsContact CB-CB 3.46Å; L115-W117 HydrophobicContact CD1-CE3 4.43Å; L115-W117 HydrophobicContact CD2-CE3 4.17Å; L115-W117 HydrophobicContact CD2-CZ3 3.77Å; L115-W117 HydrophobicContact CG-CE3 3.86Å; L115-W117 HydrophobicContact CG-CZ3 3.87Å; W117-L127 HydrophobicContact CZ2-CD1 4.29Å; W117-L127 VanDerWaalsContact NE1-CD1 3.35Å; W117-E130 PolarHBondContact NE1-OE1 2.87Å; W117-V131 HydrophobicContact CH2-CB 4.48Å; W117-V131 HydrophobicContact CH2-CG2 3.67Å; W117-V131 HydrophobicContact CZ2-CB 4.45Å; W117-V131 HydrophobicContact CZ2-CG2 3.51Å; W117-L134 HydrophobicContact CH2-CD2 4.04Å; W117-L134 HydrophobicContact CZ3-CD2 4.38Å; W117-G296 VanDerWaalsContact O-CA 3.28Å; W117-G296 WeakPolarHBondContact O-CA 3.17Å; W117-V297 HydrophobicContact CD2-CG1 3.45Å; W117-V297 VanDerWaalsContact CD2-CG1 3.45Å; W117-V297 HydrophobicContact CE3-CG1 3.55Å; W117-V297 HydrophobicContact CG-CG1 4.31Å; W117-V297 HydrophobicContact CH2-CG1 3.36Å; W117-V297 HydrophobicContact CH2-CG2 4.46Å; W117-V297 HydrophobicContact CZ2-CG1 3.23Å; W117-V297 HydrophobicContact CZ3-CG1 3.51Å; W117-V297 PolarHBondContact N-O 2.62Å; W117-V297 VanDerWaalsContact N-O 3.08Å; W117-V297 PolarHBondContact O-N 3.09Å; W117-L299 HydrophobicContact CZ3-CB 4.25Å |
| 118 | Y | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.1 | -177.1 | -66.3 | -96.5 | 0 | 0 | 0 | 110.6 | E78 M81 K82 L85 P91 V92 E116 E251 S295 | E78-Y118 WeakPolarHBondContact CA-OH 3.5Å; E78-Y118 VanDerWaalsContact CB-OH 3.29Å; E78-Y118 WeakPolarHBondContact CB-OH 3.43Å; E78-Y118 WeakPolarHBondContact CG-OH 3.45Å; M81-Y118 HydrophobicContact CB-CD2 3.83Å; M81-Y118 HydrophobicContact CB-CE2 3.58Å; M81-Y118 HydrophobicContact CE-CD2 3.83Å; M81-Y118 HydrophobicContact CE-CE2 4.21Å; M81-Y118 HydrophobicContact CG-CE2 4.29Å; M81-Y118 HydrophobicContact SD-CD2 4.07Å; M81-Y118 HydrophobicContact SD-CE2 3.81Å; K82-Y118 HydrophobicContact CG-CE1 4.36Å; L85-Y118 HydrophobicContact CD1-CD1 3.76Å; L85-Y118 HydrophobicContact CD1-CG 3.78Å; P91-Y118 WeakPolarHBondContact CA-O 3.45Å; V92-Y118 PolarHBondContact N-O 2.97Å; V92-Y118 PolarHBondContact O-N 2.9Å; E116-Y118 HydrophobicContact CG-CE2 3.94Å; E116-Y118 WeakPolarHBondContact OE1-CE2 3.41Å; E116-Y118 PolarHBondContact OE1-OH 3.21Å; Y118-E251 HydrophobicContact CD1-CG 4.18Å; Y118-E251 HydrophobicContact CE1-CG 4.19Å; Y118-E251 VanDerWaalsContact CE1-OE1 3.32Å; Y118-E251 WeakPolarHBondContact CE1-OE1 3.42Å; Y118-S295 WeakPolarHBondContact CA-O 3.24Å |
| 119 | R | 98.9 | Very high | 98.5 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 99.6 | -179.2 | -74.4 | -64.8 | -162.6 | 172.4 | 0.6 | 110.5 | V35 H121 Y122 L127 E130 C294 S295 | V35-R119 VanDerWaalsContact CG2-NH1 3.33Å; R119-H121 PolarHBondContact O-N 2.76Å; R119-Y122 HydrophobicContact CB-CD1 4.01Å; R119-Y122 HydrophobicContact CB-CD2 3.68Å; R119-Y122 HydrophobicContact CB-CE2 4.37Å; R119-Y122 HydrophobicContact CB-CG 3.49Å; R119-Y122 VanDerWaalsContact CB-CG 3.49Å; R119-Y122 HydrophobicContact CG-CD2 3.76Å; R119-Y122 HydrophobicContact CG-CE2 4.05Å; R119-Y122 HydrophobicContact CG-CG 4.09Å; R119-Y122 PolarHBondContact O-N 3.05Å; R119-L127 HydrophobicContact CG-CD1 4.15Å; R119-E130 IonicContact CZ-OE1 3.11Å; R119-E130 IonicContact CZ-OE2 3.03Å; R119-E130 VanDerWaalsContact CZ-OE2 3.27Å; R119-E130 IonicContact NE-OE1 2.63Å; R119-E130 PolarHBondContact NE-OE1 3.35Å; R119-E130 IonicContact NE-OE2 3.54Å; R119-E130 PolarHBondContact NE-OE2 2.92Å; R119-E130 IonicContact NH2-OE1 3.27Å; R119-E130 PolarHBondContact NH2-OE1 3.3Å; R119-E130 IonicContact NH2-OE2 2.69Å; R119-E130 PolarHBondContact NH2-OE2 3.08Å; R119-C294 VanDerWaalsContact O-CA 3.32Å; R119-C294 WeakPolarHBondContact O-CA 3.47Å; R119-C294 WeakPolarHBondContact O-CB 3.4Å; R119-S295 PolarHBondContact N-O 2.92Å; R119-S295 PolarHBondContact O-N 3.24Å |
| 120 | P | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 132 | 167.5 | -27.2 | 35.8 | 0 | 0 | 0 | 111.7 | L85 Y122 | L85-P120 HydrophobicContact CD2-CG 3.95Å; P120-Y122 PolarHBondContact O-N 2.76Å |
| 121 | H | 98.5 | Very high | 98.8 | Very high | 134 Ų | 134 | 35.4 Ų | 35.4 | 62% | 0.62 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 20.9 | 177.8 | -42.9 | -55 | 0 | 0 | 0 | 115 | R119 D293 | R119-H121 PolarHBondContact O-N 2.76Å; H121-D293 PolarHBondContact N-O 3.22Å |
| 122 | Y | 98.8 | Very high | 98.8 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 16% | 0.157 | 15% | 0.154 | C | C | . | . | trans | -95.4 | 132.2 | 164 | -83.7 | 33.4 | 0 | 0 | 0 | 109.1 | R119 P120 R126 S295 | R119-Y122 HydrophobicContact CB-CD1 4.01Å; R119-Y122 HydrophobicContact CB-CD2 3.68Å; R119-Y122 HydrophobicContact CB-CE2 4.37Å; R119-Y122 HydrophobicContact CB-CG 3.49Å; R119-Y122 VanDerWaalsContact CB-CG 3.49Å; R119-Y122 HydrophobicContact CG-CD2 3.76Å; R119-Y122 HydrophobicContact CG-CE2 4.05Å; R119-Y122 HydrophobicContact CG-CG 4.09Å; R119-Y122 PolarHBondContact O-N 3.05Å; P120-Y122 PolarHBondContact O-N 2.76Å; Y122-R126 HydrophobicContact CD1-CG 4.37Å; Y122-R126 HydrophobicContact CD2-CB 3.93Å; Y122-R126 HydrophobicContact CD2-CG 3.61Å; Y122-R126 HydrophobicContact CE1-CG 4.38Å; Y122-R126 VanDerWaalsContact CE1-NE 3.28Å; Y122-R126 HydrophobicContact CE2-CB 4.42Å; Y122-R126 HydrophobicContact CE2-CG 3.63Å; Y122-R126 HydrophobicContact CG-CB 4.17Å; Y122-R126 HydrophobicContact CG-CG 3.98Å; Y122-R126 VanDerWaalsContact CZ-NE 3.26Å; Y122-R126 PolarHBondContact OH-NE 2.87Å; Y122-R126 PolarHBondContact OH-NH2 2.93Å; Y122-S295 WeakPolarHBondContact O-CB 3.31Å; Y122-S295 PolarHBondContact O-N 3.08Å; Y122-S295 PolarHBondContact O-OG 2.85Å | ||
| 123 | D | 98.6 | Very high | 98.8 | Very high | 81 Ų | 81 | 36.1 Ų | 36.1 | 43% | 0.433 | 17% | 0.169 | S | C | . | . | trans | -74.8 | 171.6 | 162.4 | 62.9 | 43.7 | 0 | 0 | 0 | 110.7 | Y125 R126 L127 S295 | D123-Y125 VanDerWaalsContact C-N 3.3Å; D123-Y125 PolarHBondContact O-N 3.39Å; D123-Y125 PolarHBondContact OD1-N 2.85Å; D123-R126 PolarHBondContact O-N 3.26Å; D123-R126 WeakPolarHBondContact OD1-CB 3.1Å; D123-R126 PolarHBondContact OD1-N 2.75Å; D123-L127 PolarHBondContact O-N 3.22Å; D123-L127 VanDerWaalsContact O-N 3.14Å; D123-S295 VanDerWaalsContact C-OG 3.22Å; D123-S295 PolarHBondContact O-OG 3.46Å | ||
| 124 | M | 98.6 | Very high | 98.8 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.8 | -44.6 | -179.9 | -171.8 | -173.6 | 61.1 | 0 | 0 | 112.4 | L127 M128 Y213 E234 F236 H250 S295 | M124-L127 PolarHBondContact O-N 3.24Å; M124-M128 HydrophobicContact CE-SD 4.32Å; M124-M128 HydrophobicContact CG-SD 4.11Å; M124-M128 VanDerWaalsContact O-CG 3.28Å; M124-M128 WeakPolarHBondContact O-CG 3.34Å; M124-M128 PolarHBondContact O-N 3.45Å; M124-Y213 HydrophobicContact CE-CD2 3.71Å; M124-Y213 HydrophobicContact CE-CG 4.1Å; M124-E234 HydrophobicContact SD-CB 4.26Å; M124-F236 HydrophobicContact CG-CD1 3.54Å; M124-F236 HydrophobicContact CG-CE1 4.18Å; M124-F236 HydrophobicContact SD-CB 4.38Å; M124-F236 HydrophobicContact SD-CD1 4.27Å; M124-H250 HydrophobicContact CB-CB 4.47Å; M124-S295 PolarHBondContact N-OG 2.91Å |
| 125 | Y | 98.7 | Very high | 98.8 | Very high | 93 Ų | 93 | 35.4 Ų | 35.4 | 37% | 0.365 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71 | -39.4 | -174.9 | -58.7 | -73.3 | 0 | 0 | 0 | 112.3 | D123 L127 M128 N129 Y213 H214 | D123-Y125 VanDerWaalsContact C-N 3.3Å; D123-Y125 PolarHBondContact O-N 3.39Å; D123-Y125 PolarHBondContact OD1-N 2.85Å; Y125-L127 VanDerWaalsContact C-N 3.27Å; Y125-L127 PolarHBondContact O-N 3.34Å; Y125-M128 HydrophobicContact CD1-SD 4.18Å; Y125-M128 WeakPolarHBondContact O-CB 3.29Å; Y125-M128 PolarHBondContact O-N 3.36Å; Y125-N129 PolarHBondContact O-N 3.14Å; Y125-N129 PolarHBondContact O-OD1 2.94Å; Y125-Y213 AromaticContact CE1-CD2 3.97Å; Y125-Y213 HydrophobicContact CE1-CD2 3.97Å; Y125-Y213 AromaticContact CE1-CE2 3.78Å; Y125-Y213 HydrophobicContact CE1-CE2 3.78Å; Y125-H214 PolarHBondContact OH-CE1 3.45Å; Y125-H214 PolarHBondContact OH-NE2 3.05Å |
| 126 | R | 98.8 | Very high | 98.8 | Very high | 126 Ų | 126 | 38.3 Ų | 38.3 | 48% | 0.475 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.9 | -34.5 | 176.7 | -163.7 | 178.9 | 179 | -176.8 | -2.2 | 111.2 | Y122 D123 E130 | Y122-R126 HydrophobicContact CD1-CG 4.37Å; Y122-R126 HydrophobicContact CD2-CB 3.93Å; Y122-R126 HydrophobicContact CD2-CG 3.61Å; Y122-R126 HydrophobicContact CE1-CG 4.38Å; Y122-R126 VanDerWaalsContact CE1-NE 3.28Å; Y122-R126 HydrophobicContact CE2-CB 4.42Å; Y122-R126 HydrophobicContact CE2-CG 3.63Å; Y122-R126 HydrophobicContact CG-CB 4.17Å; Y122-R126 HydrophobicContact CG-CG 3.98Å; Y122-R126 VanDerWaalsContact CZ-NE 3.26Å; Y122-R126 PolarHBondContact OH-NE 2.87Å; Y122-R126 PolarHBondContact OH-NH2 2.93Å; D123-R126 PolarHBondContact O-N 3.26Å; D123-R126 WeakPolarHBondContact OD1-CB 3.1Å; D123-R126 PolarHBondContact OD1-N 2.75Å; R126-E130 PolarHBondContact O-N 3.29Å |
| 127 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 171.2 | -175.9 | 61.1 | 0 | 0 | 0 | 112 | W117 R119 D123 M124 Y125 N129 E130 V131 F236 G296 V297 | W117-L127 HydrophobicContact CZ2-CD1 4.29Å; W117-L127 VanDerWaalsContact NE1-CD1 3.35Å; R119-L127 HydrophobicContact CG-CD1 4.15Å; D123-L127 PolarHBondContact O-N 3.22Å; D123-L127 VanDerWaalsContact O-N 3.14Å; M124-L127 PolarHBondContact O-N 3.24Å; Y125-L127 VanDerWaalsContact C-N 3.27Å; Y125-L127 PolarHBondContact O-N 3.34Å; L127-N129 VanDerWaalsContact C-N 3.27Å; L127-N129 PolarHBondContact O-N 3.25Å; L127-E130 WeakPolarHBondContact O-CB 3.13Å; L127-E130 PolarHBondContact O-N 2.84Å; L127-V131 WeakPolarHBondContact O-CG2 3.32Å; L127-V131 PolarHBondContact O-N 2.83Å; L127-F236 HydrophobicContact CD2-CE1 4.1Å; L127-F236 HydrophobicContact CD2-CZ 4.16Å; L127-F236 HydrophobicContact CG-CE1 4.32Å; L127-F236 HydrophobicContact CG-CZ 4.16Å; L127-G296 VanDerWaalsContact CD2-C 3.46Å; L127-G296 WeakPolarHBondContact CD2-O 3.49Å; L127-V297 HydrophobicContact CD1-CG1 3.91Å; L127-V297 HydrophobicContact CD2-CB 3.92Å; L127-V297 HydrophobicContact CD2-CG1 3.87Å; L127-V297 HydrophobicContact CG-CB 4.46Å; L127-V297 HydrophobicContact CG-CG1 4.04Å |
| 128 | M | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.1 | -40.7 | 175.1 | -70.5 | 164.4 | 60.4 | 0 | 0 | 112.2 | M124 Y125 E130 V131 D132 F211 Y213 F236 | M124-M128 HydrophobicContact CE-SD 4.32Å; M124-M128 HydrophobicContact CG-SD 4.11Å; M124-M128 VanDerWaalsContact O-CG 3.28Å; M124-M128 WeakPolarHBondContact O-CG 3.34Å; M124-M128 PolarHBondContact O-N 3.45Å; Y125-M128 HydrophobicContact CD1-SD 4.18Å; Y125-M128 WeakPolarHBondContact O-CB 3.29Å; Y125-M128 PolarHBondContact O-N 3.36Å; M128-E130 VanDerWaalsContact C-N 3.32Å; M128-E130 PolarHBondContact O-N 2.92Å; M128-V131 WeakPolarHBondContact O-CB 3.16Å; M128-V131 PolarHBondContact O-N 2.77Å; M128-D132 PolarHBondContact O-N 3.07Å; M128-F211 HydrophobicContact CB-CD1 4.14Å; M128-F211 HydrophobicContact CB-CE1 3.95Å; M128-F211 HydrophobicContact CB-CZ 4.4Å; M128-F211 HydrophobicContact CE-CB 3.64Å; M128-F211 HydrophobicContact CE-CD1 3.87Å; M128-F211 HydrophobicContact CE-CG 3.84Å; M128-F211 HydrophobicContact CG-CD1 3.85Å; M128-F211 HydrophobicContact CG-CE1 3.96Å; M128-F211 WeakPolarHBondContact O-CZ 3.31Å; M128-Y213 HydrophobicContact CE-CD1 4.02Å; M128-Y213 HydrophobicContact CE-CG 4.36Å; M128-F236 HydrophobicContact CG-CB 4.2Å; M128-F236 HydrophobicContact CG-CD1 3.54Å; M128-F236 HydrophobicContact CG-CD2 3.76Å; M128-F236 HydrophobicContact CG-CE1 3.72Å; M128-F236 HydrophobicContact CG-CE2 3.94Å; M128-F236 HydrophobicContact CG-CG 3.54Å; M128-F236 HydrophobicContact CG-CZ 3.9Å; M128-F236 HydrophobicContact SD-CB 3.96Å; M128-F236 HydrophobicContact SD-CD1 4.05Å; M128-F236 HydrophobicContact SD-CG 3.95Å |
| 129 | N | 98.9 | Very high | 98.8 | Very high | 105 Ų | 105 | 44.1 Ų | 44.1 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.7 | -38 | 175.7 | -69 | -9 | 0 | 0 | 0 | 112.4 | Y125 L127 D132 D133 | Y125-N129 PolarHBondContact O-N 3.14Å; Y125-N129 PolarHBondContact O-OD1 2.94Å; L127-N129 VanDerWaalsContact C-N 3.27Å; L127-N129 PolarHBondContact O-N 3.25Å; N129-D132 PolarHBondContact O-N 3.32Å; N129-D133 PolarHBondContact O-N 2.68Å |
| 130 | E | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.5 | -35.1 | 175.7 | 179.7 | 164.2 | 89.2 | 0 | 0 | 112.3 | F29 W117 R119 R126 L127 M128 D132 D133 L134 | F29-E130 HydrophobicContact CE1-CG 4.02Å; F29-E130 HydrophobicContact CZ-CG 4.04Å; W117-E130 PolarHBondContact NE1-OE1 2.87Å; R119-E130 IonicContact CZ-OE1 3.11Å; R119-E130 IonicContact CZ-OE2 3.03Å; R119-E130 VanDerWaalsContact CZ-OE2 3.27Å; R119-E130 IonicContact NE-OE1 2.63Å; R119-E130 PolarHBondContact NE-OE1 3.35Å; R119-E130 IonicContact NE-OE2 3.54Å; R119-E130 PolarHBondContact NE-OE2 2.92Å; R119-E130 IonicContact NH2-OE1 3.27Å; R119-E130 PolarHBondContact NH2-OE1 3.3Å; R119-E130 IonicContact NH2-OE2 2.69Å; R119-E130 PolarHBondContact NH2-OE2 3.08Å; R126-E130 PolarHBondContact O-N 3.29Å; L127-E130 WeakPolarHBondContact O-CB 3.13Å; L127-E130 PolarHBondContact O-N 2.84Å; M128-E130 VanDerWaalsContact C-N 3.32Å; M128-E130 PolarHBondContact O-N 2.92Å; E130-D132 VanDerWaalsContact C-N 3.33Å; E130-D133 PolarHBondContact O-N 3.11Å; E130-L134 PolarHBondContact O-N 3.04Å; E130-L134 VanDerWaalsContact O-N 3.13Å |
| 131 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | W117 L127 M128 L134 L135 F211 F236 V238 V297 | W117-V131 HydrophobicContact CH2-CB 4.48Å; W117-V131 HydrophobicContact CH2-CG2 3.67Å; W117-V131 HydrophobicContact CZ2-CB 4.45Å; W117-V131 HydrophobicContact CZ2-CG2 3.51Å; L127-V131 WeakPolarHBondContact O-CG2 3.32Å; L127-V131 PolarHBondContact O-N 2.83Å; M128-V131 WeakPolarHBondContact O-CB 3.16Å; M128-V131 PolarHBondContact O-N 2.77Å; V131-L134 WeakPolarHBondContact O-CB 3.33Å; V131-L134 PolarHBondContact O-N 2.84Å; V131-L135 HydrophobicContact CG1-CD1 4.18Å; V131-L135 HydrophobicContact CG1-CG 4.26Å; V131-L135 WeakPolarHBondContact O-CG 3.48Å; V131-L135 PolarHBondContact O-N 3.37Å; V131-F211 HydrophobicContact CB-CE1 4Å; V131-F211 HydrophobicContact CB-CZ 3.71Å; V131-F211 HydrophobicContact CG1-CE1 3.88Å; V131-F211 HydrophobicContact CG1-CZ 3.58Å; V131-F236 HydrophobicContact CG2-CE2 4.22Å; V131-F236 HydrophobicContact CG2-CZ 4.15Å; V131-V238 HydrophobicContact CG1-CG1 4.17Å; V131-V297 HydrophobicContact CG2-CG1 3.97Å; V131-V297 HydrophobicContact CG2-CG2 4.13Å |
| 132 | D | 98.9 | Very high | 98.7 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 177.8 | -169.8 | 26.5 | 0 | 0 | 0 | 112 | M128 N129 E130 L134 L135 Q136 A144 F211 | M128-D132 PolarHBondContact O-N 3.07Å; N129-D132 PolarHBondContact O-N 3.32Å; E130-D132 VanDerWaalsContact C-N 3.33Å; D132-L134 VanDerWaalsContact C-N 3.3Å; D132-L134 PolarHBondContact O-N 3.31Å; D132-L135 PolarHBondContact O-N 3.08Å; D132-Q136 WeakPolarHBondContact O-CB 3.28Å; D132-Q136 VanDerWaalsContact O-CG 3.3Å; D132-Q136 WeakPolarHBondContact O-CG 3.18Å; D132-Q136 PolarHBondContact O-N 2.67Å; D132-Q136 PolarHBondContact O-NE2 2.75Å; D132-Q136 PolarHBondContact OD1-NE2 2.55Å; D132-Q136 PolarHBondContact OD2-NE2 2.66Å; D132-A144 WeakPolarHBondContact OD1-CB 3.29Å; D132-A144 PolarHBondContact OD1-N 2.84Å; D132-A144 PolarHBondContact OD2-N 3.14Å; D132-F211 HydrophobicContact CB-CE2 4.13Å; D132-F211 HydrophobicContact CB-CZ 4.46Å |
| 133 | D | 98.9 | Very high | 98.7 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.3 | -45.7 | 172.5 | -80.9 | -4.9 | 0 | 0 | 0 | 111.6 | F29 R33 N129 E130 Q137 | F29-D133 HydrophobicContact CE2-CB 3.81Å; F29-D133 HydrophobicContact CZ-CB 3.92Å; R33-D133 IonicContact NH2-OD2 3.23Å; R33-D133 PolarHBondContact NH2-OD2 2.86Å; N129-D133 PolarHBondContact O-N 2.68Å; E130-D133 PolarHBondContact O-N 3.11Å; D133-Q137 WeakPolarHBondContact O-CB 3.2Å; D133-Q137 PolarHBondContact O-N 2.94Å |
| 134 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | -179.9 | 177.4 | 65.5 | 0 | 0 | 0 | 111.5 | I26 F29 L115 W117 E130 V131 D132 Q137 V138 L299 | I26-L134 HydrophobicContact CG1-CD1 4.33Å; F29-L134 HydrophobicContact CB-CD1 4.24Å; F29-L134 HydrophobicContact CD1-CD1 4.03Å; F29-L134 HydrophobicContact CD2-CB 4.45Å; F29-L134 HydrophobicContact CD2-CD1 4.02Å; F29-L134 HydrophobicContact CE1-CB 4.14Å; F29-L134 HydrophobicContact CE1-CD1 4.4Å; F29-L134 HydrophobicContact CE2-CB 3.95Å; F29-L134 HydrophobicContact CE2-CD1 4.37Å; F29-L134 HydrophobicContact CG-CD1 3.85Å; F29-L134 HydrophobicContact CZ-CB 3.8Å; L115-L134 HydrophobicContact CD2-CD2 3.57Å; W117-L134 HydrophobicContact CH2-CD2 4.04Å; W117-L134 HydrophobicContact CZ3-CD2 4.38Å; E130-L134 PolarHBondContact O-N 3.04Å; E130-L134 VanDerWaalsContact O-N 3.13Å; V131-L134 WeakPolarHBondContact O-CB 3.33Å; V131-L134 PolarHBondContact O-N 2.84Å; D132-L134 VanDerWaalsContact C-N 3.3Å; D132-L134 PolarHBondContact O-N 3.31Å; L134-Q137 PolarHBondContact O-N 3.03Å; L134-V138 HydrophobicContact CD1-CG2 3.98Å; L134-V138 WeakPolarHBondContact O-CG2 3.24Å; L134-V138 PolarHBondContact O-N 2.95Å; L134-L299 HydrophobicContact CD2-CD1 4.29Å |
| 135 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 179.7 | -68.2 | -176.8 | 0 | 0 | 0 | 111.1 | V131 D132 Q137 V138 L139 P209 V238 L245 L299 L304 | V131-L135 HydrophobicContact CG1-CD1 4.18Å; V131-L135 HydrophobicContact CG1-CG 4.26Å; V131-L135 WeakPolarHBondContact O-CG 3.48Å; V131-L135 PolarHBondContact O-N 3.37Å; D132-L135 PolarHBondContact O-N 3.08Å; L135-Q137 VanDerWaalsContact C-N 3.28Å; L135-Q137 PolarHBondContact O-N 2.86Å; L135-V138 PolarHBondContact O-N 2.99Å; L135-L139 HydrophobicContact CB-CD1 4.48Å; L135-L139 HydrophobicContact CD2-CD1 4.17Å; L135-L139 WeakPolarHBondContact O-CB 3.11Å; L135-L139 PolarHBondContact O-N 3.27Å; L135-P209 HydrophobicContact CD1-CB 4.01Å; L135-P209 HydrophobicContact CD1-CG 4.16Å; L135-V238 HydrophobicContact CD1-CG1 4.21Å; L135-V238 HydrophobicContact CD1-CG2 3.73Å; L135-L245 HydrophobicContact CD2-CD1 3.95Å; L135-L299 HydrophobicContact CD2-CD1 4.2Å; L135-L304 HydrophobicContact CD2-CD1 3.75Å |
| 136 | Q | 98.8 | Very high | 98.8 | Very high | 61 Ų | 61 | 45.4 Ų | 45.4 | 29% | 0.285 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.4 | -42.6 | 175.9 | -71.4 | 176.4 | 79.5 | 0 | 0 | 111.3 | D132 D140 C141 A143 | D132-Q136 WeakPolarHBondContact O-CB 3.28Å; D132-Q136 VanDerWaalsContact O-CG 3.3Å; D132-Q136 WeakPolarHBondContact O-CG 3.18Å; D132-Q136 PolarHBondContact O-N 2.67Å; D132-Q136 PolarHBondContact O-NE2 2.75Å; D132-Q136 PolarHBondContact OD1-NE2 2.55Å; D132-Q136 PolarHBondContact OD2-NE2 2.66Å; Q136-D140 VanDerWaalsContact O-CA 3.28Å; Q136-D140 WeakPolarHBondContact O-CA 3.4Å; Q136-D140 PolarHBondContact O-N 3.4Å; Q136-C141 WeakPolarHBondContact CG-O 3.23Å; Q136-A143 VanDerWaalsContact CD-CA 3.48Å |
| 137 | Q | 98.7 | Very high | 98.7 | Very high | 82 Ų | 82 | 39.8 Ų | 39.8 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.2 | -48.7 | -179.7 | -171.3 | -179 | -52.9 | 0 | 0 | 112.3 | E25 D133 L134 L135 | E25-Q137 WeakPolarHBondContact OE1-CG 3.32Å; E25-Q137 PolarHBondContact OE1-NE2 2.87Å; D133-Q137 WeakPolarHBondContact O-CB 3.2Å; D133-Q137 PolarHBondContact O-N 2.94Å; L134-Q137 PolarHBondContact O-N 3.03Å; L135-Q137 VanDerWaalsContact C-N 3.28Å; L135-Q137 PolarHBondContact O-N 2.86Å |
| 138 | V | 98.7 | Very high | 98.7 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.5 | -34.4 | -174.3 | 176.7 | 0 | 0 | 0 | 0 | 112.8 | I22 E25 I26 L134 L135 L304 | I22-V138 HydrophobicContact CG1-CG1 4.45Å; I22-V138 HydrophobicContact CG2-CG1 3.72Å; E25-V138 HydrophobicContact CG-CG2 4.46Å; I26-V138 HydrophobicContact CG1-CG2 4.19Å; L134-V138 HydrophobicContact CD1-CG2 3.98Å; L134-V138 WeakPolarHBondContact O-CG2 3.24Å; L134-V138 PolarHBondContact O-N 2.95Å; L135-V138 PolarHBondContact O-N 2.99Å; V138-L304 HydrophobicContact CB-CD2 4.39Å; V138-L304 HydrophobicContact CG1-CD1 4.26Å; V138-L304 HydrophobicContact CG1-CD2 3.94Å; V138-L304 HydrophobicContact CG1-CG 3.99Å |
| 139 | L | 98.6 | Very high | 98.7 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -97.5 | -8.1 | -175 | -60.5 | 176.2 | 0 | 0 | 0 | 114 | L135 C141 Y240 L245 L304 L307 A308 | L135-L139 HydrophobicContact CB-CD1 4.48Å; L135-L139 HydrophobicContact CD2-CD1 4.17Å; L135-L139 WeakPolarHBondContact O-CB 3.11Å; L135-L139 PolarHBondContact O-N 3.27Å; L139-C141 HydrophobicContact CB-CB 4.17Å; L139-C141 PolarHBondContact O-N 3.16Å; L139-Y240 HydrophobicContact CD1-CD1 3.77Å; L139-Y240 HydrophobicContact CD1-CE1 4.13Å; L139-L245 HydrophobicContact CD1-CD1 4.35Å; L139-L304 HydrophobicContact CD1-CD1 3.89Å; L139-L304 HydrophobicContact CD2-CD1 3.79Å; L139-L304 HydrophobicContact CG-CD1 3.76Å; L139-L307 HydrophobicContact CD2-CB 3.99Å; L139-A308 HydrophobicContact CD2-CB 3.84Å |
| 140 | D | 98.4 | Very high | 98.7 | Very high | 157 Ų | 157 | 37.8 Ų | 37.8 | 84% | 0.84 | 21% | 0.213 | S | C | * | . | trans | 48.7 | 42.7 | -172 | -166.6 | 33.5 | 0 | 0 | 0 | 111.7 | Q136 | Q136-D140 VanDerWaalsContact O-CA 3.28Å; Q136-D140 WeakPolarHBondContact O-CA 3.4Å; Q136-D140 PolarHBondContact O-N 3.4Å | ||
| 141 | C | 98.4 | Very high | 98.7 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.081 | 23% | 0.231 | C | C | . | . | trans | -104.8 | 161.6 | -178.2 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | Q136 L139 Y240 | Q136-C141 WeakPolarHBondContact CG-O 3.23Å; L139-C141 HydrophobicContact CB-CB 4.17Å; L139-C141 PolarHBondContact O-N 3.16Å; C141-Y240 HydrophobicContact CB-CE1 4.39Å | ||
| 142 | P | 98.6 | Very high | 98.7 | Very high | 77 Ų | 77 | 41.7 Ų | 41.7 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 157.9 | 171.2 | -19.1 | 32.4 | 0 | 0 | 0 | 111.9 | A144 K208 | P142-A144 PolarHBondContact O-N 3.33Å; P142-K208 HydrophobicContact CB-CB 4.27Å; P142-K208 HydrophobicContact CB-CD 4.36Å; P142-K208 HydrophobicContact CG-CB 4.4Å |
| 143 | A | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 35% | 0.347 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -50.3 | 136.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q136 K208 | Q136-A143 VanDerWaalsContact CD-CA 3.48Å; A143-K208 WeakPolarHBondContact O-CD 3.43Å; A143-K208 PolarHBondContact O-NZ 3.12Å |
| 144 | A | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 159.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D132 P142 K208 P209 F211 | D132-A144 WeakPolarHBondContact OD1-CB 3.29Å; D132-A144 PolarHBondContact OD1-N 2.84Å; D132-A144 PolarHBondContact OD2-N 3.14Å; P142-A144 PolarHBondContact O-N 3.33Å; A144-K208 PolarHBondContact O-NZ 2.98Å; A144-P209 CarbonylContact C-O 3.46Å; A144-P209 WeakPolarHBondContact CA-O 3.35Å; A144-P209 HydrophobicContact CB-CB 3.95Å; A144-P209 WeakPolarHBondContact CB-O 3.35Å; A144-F211 HydrophobicContact CB-CD2 3.54Å; A144-F211 HydrophobicContact CB-CE2 3.51Å |
| 145 | E | 98.6 | Very high | 98.7 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 163.1 | 157 | 58.3 | 167.1 | -165.1 | 0 | 0 | 110.4 | P209 T210 F211 | E145-P209 PolarHBondContact N-O 2.91Å; E145-T210 HydrophobicContact CG-CG2 3.94Å; E145-T210 WeakPolarHBondContact CG-OG1 3.3Å; E145-T210 WeakPolarHBondContact O-CA 3.37Å; E145-T210 WeakPolarHBondContact OE1-CG2 3.36Å; E145-T210 PolarHBondContact OE1-OG1 2.87Å; E145-F211 PolarHBondContact O-N 2.94Å |
| 146 | S | 98.7 | Very high | 98.6 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 43% | 0.427 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135 | 177.9 | -50.2 | 0 | 0 | 0 | 0 | 110.1 | F211 | S146-F211 WeakPolarHBondContact CA-O 3.44Å |
| 147 | L | 98.3 | Very high | 98.6 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.4 | 178.9 | -59.8 | 167.5 | 0 | 0 | 0 | 108.5 | R155 T210 F211 V212 Y213 | L147-R155 VanDerWaalsContact CD2-NH2 3.27Å; L147-T210 HydrophobicContact CD1-CG2 4.26Å; L147-F211 PolarHBondContact N-O 3.25Å; L147-V212 VanDerWaalsContact O-CA 3.28Å; L147-V212 WeakPolarHBondContact O-CA 3.29Å; L147-Y213 WeakPolarHBondContact O-CD1 3.27Å; L147-Y213 WeakPolarHBondContact O-CE1 3.49Å; L147-Y213 PolarHBondContact O-N 3.17Å |
| 148 | S | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 155.4 | 166.3 | 74.8 | 0 | 0 | 0 | 0 | 110.3 | Q150 Q151 A152 Y213 | S148-Q150 PolarHBondContact O-N 3.14Å; S148-Q151 PolarHBondContact O-N 3.39Å; S148-Q151 VanDerWaalsContact OG-CG 3.31Å; S148-Q151 WeakPolarHBondContact OG-CG 3.3Å; S148-Q151 PolarHBondContact OG-N 3.25Å; S148-Q151 VanDerWaalsContact OG-N 3.1Å; S148-A152 PolarHBondContact O-N 3.09Å; S148-Y213 CarbonylContact C-O 3.42Å; S148-Y213 VanDerWaalsContact CA-O 3.27Å; S148-Y213 WeakPolarHBondContact CA-O 3.46Å |
| 149 | Y | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.4 | -41.4 | 174 | -171.3 | -88.2 | 0 | 0 | 0 | 110.9 | A152 F153 P161 L192 F196 V212 Y213 H214 F215 P216 | Y149-A152 PolarHBondContact O-N 3.43Å; Y149-F153 AromaticContact CD1-CD2 3.85Å; Y149-F153 HydrophobicContact CD1-CD2 3.85Å; Y149-F153 AromaticContact CD1-CE2 3.96Å; Y149-F153 HydrophobicContact CD1-CE2 3.96Å; Y149-F153 HydrophobicContact CD2-CE2 4.43Å; Y149-F153 AromaticContact CE1-CD2 3.54Å; Y149-F153 HydrophobicContact CE1-CD2 3.54Å; Y149-F153 AromaticContact CE1-CE2 3.21Å; Y149-F153 HydrophobicContact CE1-CE2 3.21Å; Y149-F153 HydrophobicContact CE1-CG 4.46Å; Y149-F153 AromaticContact CE1-CZ 3.91Å; Y149-F153 HydrophobicContact CE1-CZ 3.91Å; Y149-F153 HydrophobicContact CE2-CD2 4.45Å; Y149-F153 AromaticContact CE2-CE2 3.79Å; Y149-F153 HydrophobicContact CE2-CE2 3.79Å; Y149-F153 HydrophobicContact CG-CD2 4.43Å; Y149-F153 AromaticContact CZ-CD2 3.89Å; Y149-F153 AromaticContact CZ-CE2 3.12Å; Y149-F153 AromaticContact CZ-CZ 3.77Å; Y149-F153 WeakPolarHBondContact O-CD2 3.48Å; Y149-F153 PolarHBondContact O-N 2.85Å; Y149-F153 VanDerWaalsContact O-N 3.07Å; Y149-F153 WeakPolarHBondContact OH-CE2 3.15Å; Y149-F153 VanDerWaalsContact OH-CZ 3.31Å; Y149-F153 WeakPolarHBondContact OH-CZ 3.43Å; Y149-P161 HydrophobicContact CD1-CB 4Å; Y149-P161 HydrophobicContact CD1-CG 3.64Å; Y149-P161 HydrophobicContact CE1-CB 3.64Å; Y149-P161 HydrophobicContact CE1-CG 3.82Å; Y149-L192 PolarHBondContact OH-O 2.81Å; Y149-F196 HydrophobicContact CD2-CD2 4.12Å; Y149-F196 HydrophobicContact CD2-CE2 4.09Å; Y149-F196 HydrophobicContact CE2-CB 4.33Å; Y149-F196 AromaticContact CE2-CD2 3.62Å; Y149-F196 HydrophobicContact CE2-CD2 3.62Å; Y149-F196 HydrophobicContact CE2-CE2 4.02Å; Y149-F196 AromaticContact CE2-CG 3.95Å; Y149-F196 HydrophobicContact CE2-CG 3.95Å; Y149-V212 HydrophobicContact CD2-CG1 4.14Å; Y149-Y213 PolarHBondContact N-O 3.1Å; Y149-H214 VanDerWaalsContact CB-O 3.29Å; Y149-H214 WeakPolarHBondContact CB-O 3.42Å; Y149-F215 AromaticContact CD2-CD1 3.45Å; Y149-F215 HydrophobicContact CD2-CD1 3.45Å; Y149-F215 VanDerWaalsContact CD2-CD1 3.45Å; Y149-F215 HydrophobicContact CD2-CD2 4.31Å; Y149-F215 AromaticContact CD2-CE1 3.56Å; Y149-F215 HydrophobicContact CD2-CE1 3.56Å; Y149-F215 HydrophobicContact CD2-CE2 4.39Å; Y149-F215 AromaticContact CD2-CG 3.85Å; Y149-F215 HydrophobicContact CD2-CG 3.85Å; Y149-F215 HydrophobicContact CD2-CZ 4.03Å; Y149-F215 AromaticContact CE2-CD1 3.48Å; Y149-F215 HydrophobicContact CE2-CD1 3.48Å; Y149-F215 VanDerWaalsContact CE2-CD1 3.48Å; Y149-F215 AromaticContact CE2-CE1 3.51Å; Y149-F215 HydrophobicContact CE2-CE1 3.51Å; Y149-F215 HydrophobicContact CE2-CG 4.32Å; Y149-F215 HydrophobicContact CE2-CZ 4.35Å; Y149-F215 HydrophobicContact CG-CD1 4.48Å; Y149-P216 HydrophobicContact CD1-CG 4.07Å; Y149-P216 HydrophobicContact CE1-CG 3.74Å |
| 150 | Q | 98.8 | Very high | 98.6 | Very high | 54 Ų | 54 | 53 Ų | 53 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 175 | -169 | -176.8 | 35.8 | 0 | 0 | 112.6 | S148 A152 F153 L154 D160 P161 L162 | S148-Q150 PolarHBondContact O-N 3.14Å; Q150-A152 VanDerWaalsContact C-N 3.31Å; Q150-A152 PolarHBondContact O-N 2.61Å; Q150-F153 PolarHBondContact O-N 3.25Å; Q150-L154 HydrophobicContact CG-CD1 4.18Å; Q150-L154 WeakPolarHBondContact O-CG 3.48Å; Q150-L154 PolarHBondContact O-N 3.49Å; Q150-D160 WeakPolarHBondContact CG-OD1 3.36Å; Q150-D160 VanDerWaalsContact NE2-CG 3.29Å; Q150-D160 PolarHBondContact NE2-OD1 2.98Å; Q150-D160 PolarHBondContact NE2-OD2 2.77Å; Q150-P161 HydrophobicContact CB-CG 4.46Å; Q150-L162 HydrophobicContact CB-CD1 4.15Å; Q150-L162 HydrophobicContact CB-CG 4.37Å; Q150-L162 HydrophobicContact CG-CD1 4.2Å; Q150-L162 HydrophobicContact CG-CG 4.32Å |
| 151 | Q | 98.8 | Very high | 98.6 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 179.2 | -74.3 | 170.8 | -16.6 | 0 | 0 | 112.1 | S148 R155 | S148-Q151 PolarHBondContact O-N 3.39Å; S148-Q151 VanDerWaalsContact OG-CG 3.31Å; S148-Q151 WeakPolarHBondContact OG-CG 3.3Å; S148-Q151 PolarHBondContact OG-N 3.25Å; S148-Q151 VanDerWaalsContact OG-N 3.1Å; Q151-R155 VanDerWaalsContact O-CB 3.26Å; Q151-R155 WeakPolarHBondContact O-CB 3.26Å; Q151-R155 PolarHBondContact O-N 3.07Å |
| 152 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | S148 Y149 Q150 L154 R155 Y156 V200 | S148-A152 PolarHBondContact O-N 3.09Å; Y149-A152 PolarHBondContact O-N 3.43Å; Q150-A152 VanDerWaalsContact C-N 3.31Å; Q150-A152 PolarHBondContact O-N 2.61Å; A152-L154 PolarHBondContact O-N 2.87Å; A152-R155 PolarHBondContact O-N 3.05Å; A152-Y156 WeakPolarHBondContact O-CD2 3.31Å; A152-Y156 PolarHBondContact O-N 2.58Å; A152-V200 HydrophobicContact CB-CG1 3.87Å |
| 153 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.7 | -94.2 | -104 | 0 | 0 | 0 | 113 | Y149 Q150 R155 Y156 L157 E158 I159 P161 L192 L195 F196 V200 | Y149-F153 AromaticContact CD1-CD2 3.85Å; Y149-F153 HydrophobicContact CD1-CD2 3.85Å; Y149-F153 AromaticContact CD1-CE2 3.96Å; Y149-F153 HydrophobicContact CD1-CE2 3.96Å; Y149-F153 HydrophobicContact CD2-CE2 4.43Å; Y149-F153 AromaticContact CE1-CD2 3.54Å; Y149-F153 HydrophobicContact CE1-CD2 3.54Å; Y149-F153 AromaticContact CE1-CE2 3.21Å; Y149-F153 HydrophobicContact CE1-CE2 3.21Å; Y149-F153 HydrophobicContact CE1-CG 4.46Å; Y149-F153 AromaticContact CE1-CZ 3.91Å; Y149-F153 HydrophobicContact CE1-CZ 3.91Å; Y149-F153 HydrophobicContact CE2-CD2 4.45Å; Y149-F153 AromaticContact CE2-CE2 3.79Å; Y149-F153 HydrophobicContact CE2-CE2 3.79Å; Y149-F153 HydrophobicContact CG-CD2 4.43Å; Y149-F153 AromaticContact CZ-CD2 3.89Å; Y149-F153 AromaticContact CZ-CE2 3.12Å; Y149-F153 AromaticContact CZ-CZ 3.77Å; Y149-F153 WeakPolarHBondContact O-CD2 3.48Å; Y149-F153 PolarHBondContact O-N 2.85Å; Y149-F153 VanDerWaalsContact O-N 3.07Å; Y149-F153 WeakPolarHBondContact OH-CE2 3.15Å; Y149-F153 VanDerWaalsContact OH-CZ 3.31Å; Y149-F153 WeakPolarHBondContact OH-CZ 3.43Å; Q150-F153 PolarHBondContact O-N 3.25Å; F153-R155 VanDerWaalsContact C-N 3.29Å; F153-R155 PolarHBondContact O-N 2.84Å; F153-Y156 PolarHBondContact O-N 3.38Å; F153-L157 HydrophobicContact CD1-CD1 3.8Å; F153-L157 HydrophobicContact CE1-CD1 3.79Å; F153-L157 HydrophobicContact CZ-CD1 4.48Å; F153-L157 CarbonylContact O-C 3.57Å; F153-L157 WeakPolarHBondContact O-CA 3.32Å; F153-L157 WeakPolarHBondContact O-CB 3.28Å; F153-L157 PolarHBondContact O-N 2.99Å; F153-E158 PolarHBondContact O-N 2.88Å; F153-E158 VanDerWaalsContact O-N 3.16Å; F153-I159 CarbonylContact C-O 3.47Å; F153-I159 WeakPolarHBondContact CB-O 3.17Å; F153-I159 HydrophobicContact CD1-CG2 3.75Å; F153-P161 HydrophobicContact CB-CB 4.29Å; F153-P161 VanDerWaalsContact CB-CD 3.49Å; F153-P161 HydrophobicContact CB-CG 3.7Å; F153-P161 HydrophobicContact CD1-CB 3.93Å; F153-P161 HydrophobicContact CD1-CG 4.27Å; F153-P161 HydrophobicContact CD2-CB 4.17Å; F153-P161 HydrophobicContact CD2-CG 3.99Å; F153-P161 HydrophobicContact CE1-CB 4.28Å; F153-P161 HydrophobicContact CG-CB 3.87Å; F153-P161 HydrophobicContact CG-CG 3.73Å; F153-L192 HydrophobicContact CE1-CD2 4.17Å; F153-L192 HydrophobicContact CZ-CD2 4.31Å; F153-L195 HydrophobicContact CE1-CB 3.78Å; F153-L195 HydrophobicContact CE1-CD1 4.27Å; F153-L195 HydrophobicContact CZ-CB 4.04Å; F153-F196 HydrophobicContact CD2-CD2 4.3Å; F153-F196 HydrophobicContact CE2-CB 3.83Å; F153-F196 AromaticContact CE2-CD2 3.63Å; F153-F196 HydrophobicContact CE2-CD2 3.63Å; F153-F196 HydrophobicContact CE2-CG 4.19Å; F153-F196 HydrophobicContact CZ-CB 3.88Å; F153-V200 HydrophobicContact CD2-CG2 4.07Å; F153-V200 HydrophobicContact CE2-CG2 4.17Å; F153-V200 HydrophobicContact CG-CG2 4.44Å |
| 154 | L | 98.7 | Very high | 98.5 | Very high | 83 Ų | 83 | 44.5 Ų | 44.5 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 176.9 | -75.1 | 170.1 | 0 | 0 | 0 | 111.8 | Q150 A152 E158 I159 D160 | Q150-L154 HydrophobicContact CG-CD1 4.18Å; Q150-L154 WeakPolarHBondContact O-CG 3.48Å; Q150-L154 PolarHBondContact O-N 3.49Å; A152-L154 PolarHBondContact O-N 2.87Å; L154-E158 WeakPolarHBondContact O-CA 3.16Å; L154-E158 PolarHBondContact O-N 3.05Å; L154-I159 PolarHBondContact N-O 3.32Å; L154-D160 HydrophobicContact CD2-CB 4.21Å |
| 155 | R | 98.5 | Very high | 98.4 | Very high | 131 Ų | 131 | 47.8 Ų | 47.8 | 49% | 0.494 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69 | -43.1 | -178.4 | -178.9 | -179.9 | -67.1 | -176.7 | 0.1 | 113 | L147 Q151 A152 F153 | L147-R155 VanDerWaalsContact CD2-NH2 3.27Å; Q151-R155 VanDerWaalsContact O-CB 3.26Å; Q151-R155 WeakPolarHBondContact O-CB 3.26Å; Q151-R155 PolarHBondContact O-N 3.07Å; A152-R155 PolarHBondContact O-N 3.05Å; F153-R155 VanDerWaalsContact C-N 3.29Å; F153-R155 PolarHBondContact O-N 2.84Å |
| 156 | Y | 98.3 | Very high | 98.3 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -103.6 | -23.2 | -169.8 | -61.7 | -67.1 | 0 | 0 | 0 | 114.1 | A152 F153 V200 N203 I204 | A152-Y156 WeakPolarHBondContact O-CD2 3.31Å; A152-Y156 PolarHBondContact O-N 2.58Å; F153-Y156 PolarHBondContact O-N 3.38Å; Y156-V200 HydrophobicContact CD2-CG1 4.03Å; Y156-N203 HydrophobicContact CD1-CB 3.51Å; Y156-N203 HydrophobicContact CE1-CB 3.6Å; Y156-N203 HydrophobicContact CG-CB 4.06Å; Y156-I204 HydrophobicContact CD2-CG2 4.19Å; Y156-I204 HydrophobicContact CE2-CG2 3.37Å |
| 157 | L | 98.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -124.9 | -1.8 | -175.1 | -63.1 | 179.8 | 0 | 0 | 0 | 113.8 | F153 I159 V172 L176 L195 V200 | F153-L157 HydrophobicContact CD1-CD1 3.8Å; F153-L157 HydrophobicContact CE1-CD1 3.79Å; F153-L157 HydrophobicContact CZ-CD1 4.48Å; F153-L157 CarbonylContact O-C 3.57Å; F153-L157 WeakPolarHBondContact O-CA 3.32Å; F153-L157 WeakPolarHBondContact O-CB 3.28Å; F153-L157 PolarHBondContact O-N 2.99Å; L157-I159 HydrophobicContact CB-CG2 3.8Å; L157-I159 PolarHBondContact O-N 2.95Å; L157-I159 VanDerWaalsContact O-N 3.15Å; L157-V172 HydrophobicContact CB-CG1 4.1Å; L157-V172 HydrophobicContact CD1-CG1 4.31Å; L157-V172 HydrophobicContact CD2-CG1 4Å; L157-V172 HydrophobicContact CG-CG1 4.37Å; L157-L176 HydrophobicContact CD2-CD1 4.01Å; L157-L176 HydrophobicContact CD2-CD2 4.4Å; L157-L195 HydrophobicContact CD1-CB 4.02Å; L157-V200 HydrophobicContact CD1-CG2 3.96Å; L157-V200 HydrophobicContact CG-CG2 4.3Å |
| 158 | E | 98.4 | Very high | 98.2 | Very high | 171 Ų | 171 | 53.2 Ų | 53.2 | 80% | 0.799 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 53.3 | 33.5 | 178.8 | -56.5 | -176 | 150.8 | 0 | 0 | 113.3 | F153 L154 | F153-E158 PolarHBondContact O-N 2.88Å; F153-E158 VanDerWaalsContact O-N 3.16Å; L154-E158 WeakPolarHBondContact O-CA 3.16Å; L154-E158 PolarHBondContact O-N 3.05Å |
| 159 | I | 98.4 | Very high | 98.2 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | trans | -135.9 | 143.8 | -177.8 | -167 | 163.8 | 0 | 0 | 0 | 110.2 | F153 L154 L157 P161 A164 Q168 L169 V172 | F153-I159 CarbonylContact C-O 3.47Å; F153-I159 WeakPolarHBondContact CB-O 3.17Å; F153-I159 HydrophobicContact CD1-CG2 3.75Å; L154-I159 PolarHBondContact N-O 3.32Å; L157-I159 HydrophobicContact CB-CG2 3.8Å; L157-I159 PolarHBondContact O-N 2.95Å; L157-I159 VanDerWaalsContact O-N 3.15Å; I159-P161 WeakPolarHBondContact O-CD 3.33Å; I159-A164 HydrophobicContact CD1-CB 3.61Å; I159-A164 HydrophobicContact CG1-CB 3.45Å; I159-A164 VanDerWaalsContact CG1-CB 3.45Å; I159-Q168 HydrophobicContact CD1-CB 4.03Å; I159-L169 HydrophobicContact CD1-CD2 3.9Å; I159-V172 HydrophobicContact CB-CG2 4.2Å; I159-V172 HydrophobicContact CD1-CB 4.48Å; I159-V172 HydrophobicContact CD1-CG2 3.53Å; I159-V172 HydrophobicContact CG1-CG2 4.47Å; I159-V172 HydrophobicContact CG2-CG2 4.3Å | ||
| 160 | D | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | trans | -91.4 | 110.5 | 174.2 | 176.9 | 8 | 0 | 0 | 0 | 110 | Q150 L154 L162 S163 A164 | Q150-D160 WeakPolarHBondContact CG-OD1 3.36Å; Q150-D160 VanDerWaalsContact NE2-CG 3.29Å; Q150-D160 PolarHBondContact NE2-OD1 2.98Å; Q150-D160 PolarHBondContact NE2-OD2 2.77Å; L154-D160 HydrophobicContact CD2-CB 4.21Å; D160-L162 PolarHBondContact O-N 2.94Å; D160-L162 PolarHBondContact OD1-N 3.24Å; D160-S163 WeakPolarHBondContact CB-OG 3.2Å; D160-S163 PolarHBondContact O-N 2.88Å; D160-S163 PolarHBondContact OD2-OG 3.27Å; D160-A164 WeakPolarHBondContact O-CB 3.47Å; D160-A164 PolarHBondContact O-N 2.88Å | ||
| 161 | P | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -15.7 | -176 | 30.1 | -35.1 | 0 | 0 | 0 | 112.8 | Y149 Q150 F153 I159 R188 L192 | Y149-P161 HydrophobicContact CD1-CB 4Å; Y149-P161 HydrophobicContact CD1-CG 3.64Å; Y149-P161 HydrophobicContact CE1-CB 3.64Å; Y149-P161 HydrophobicContact CE1-CG 3.82Å; Q150-P161 HydrophobicContact CB-CG 4.46Å; F153-P161 HydrophobicContact CB-CB 4.29Å; F153-P161 VanDerWaalsContact CB-CD 3.49Å; F153-P161 HydrophobicContact CB-CG 3.7Å; F153-P161 HydrophobicContact CD1-CB 3.93Å; F153-P161 HydrophobicContact CD1-CG 4.27Å; F153-P161 HydrophobicContact CD2-CB 4.17Å; F153-P161 HydrophobicContact CD2-CG 3.99Å; F153-P161 HydrophobicContact CE1-CB 4.28Å; F153-P161 HydrophobicContact CG-CB 3.87Å; F153-P161 HydrophobicContact CG-CG 3.73Å; I159-P161 WeakPolarHBondContact O-CD 3.33Å; P161-R188 PolarHBondContact O-NH2 2.51Å; P161-L192 HydrophobicContact CB-CD2 3.8Å |
| 162 | L | 98.2 | Very high | 98 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -9.7 | -179.4 | -53.6 | -175.3 | 0 | 0 | 0 | 113 | Q150 D160 V232 | Q150-L162 HydrophobicContact CB-CD1 4.15Å; Q150-L162 HydrophobicContact CB-CG 4.37Å; Q150-L162 HydrophobicContact CG-CD1 4.2Å; Q150-L162 HydrophobicContact CG-CG 4.32Å; D160-L162 PolarHBondContact O-N 2.94Å; D160-L162 PolarHBondContact OD1-N 3.24Å; L162-V232 HydrophobicContact CD1-CG1 3.73Å; L162-V232 HydrophobicContact CD2-CG1 3.9Å; L162-V232 HydrophobicContact CG-CG1 4.49Å |
| 163 | S | 97.8 | Very high | 98 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | -30.6 | -177 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | D160 D165 | D160-S163 WeakPolarHBondContact CB-OG 3.2Å; D160-S163 PolarHBondContact O-N 2.88Å; D160-S163 PolarHBondContact OD2-OG 3.27Å; S163-D165 PolarHBondContact O-N 3.29Å |
| 164 | A | 97.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | -62.2 | 134.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I159 D160 Q168 L169 R188 | I159-A164 HydrophobicContact CD1-CB 3.61Å; I159-A164 HydrophobicContact CG1-CB 3.45Å; I159-A164 VanDerWaalsContact CG1-CB 3.45Å; D160-A164 WeakPolarHBondContact O-CB 3.47Å; D160-A164 PolarHBondContact O-N 2.88Å; A164-Q168 HydrophobicContact CB-CB 4.13Å; A164-L169 HydrophobicContact CB-CD2 4.22Å; A164-R188 PolarHBondContact O-NH1 2.59Å; A164-R188 PolarHBondContact O-NH2 2.77Å | ||
| 165 | D | 97.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | trans | -75.9 | 172.2 | -179.7 | 68.9 | 43.1 | 0 | 0 | 0 | 112.9 | S163 T167 Q168 L169 | S163-D165 PolarHBondContact O-N 3.29Å; D165-T167 PolarHBondContact O-N 3.44Å; D165-T167 WeakPolarHBondContact OD1-CA 3.46Å; D165-T167 WeakPolarHBondContact OD1-CB 3.37Å; D165-T167 PolarHBondContact OD1-N 2.78Å; D165-Q168 PolarHBondContact O-N 2.73Å; D165-Q168 PolarHBondContact OD1-N 3.39Å; D165-L169 WeakPolarHBondContact O-CG 3.49Å; D165-L169 PolarHBondContact O-N 2.85Å | ||
| 166 | K | 96.7 | Very high | 97.7 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 32% | 0.317 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -29.8 | -179.1 | -71 | -162.5 | -72.7 | 174.1 | 0 | 113.2 | R170 E186 L191 | K166-R170 WeakPolarHBondContact O-CG 3.42Å; K166-R170 PolarHBondContact O-N 3.37Å; K166-R170 VanDerWaalsContact O-N 3.14Å; K166-E186 WeakPolarHBondContact CD-O 3.43Å; K166-E186 PolarHBondContact NZ-O 2.81Å; K166-E186 IonicContact NZ-OE2 2.74Å; K166-E186 PolarHBondContact NZ-OE2 2.66Å; K166-L191 HydrophobicContact CB-CD1 4.45Å; K166-L191 HydrophobicContact CG-CD1 4.42Å |
| 167 | T | 97.3 | Very high | 97.6 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.9 | -48.3 | 178.3 | -54.2 | 0 | 0 | 0 | 0 | 109.7 | D165 L169 R170 E171 | D165-T167 PolarHBondContact O-N 3.44Å; D165-T167 WeakPolarHBondContact OD1-CA 3.46Å; D165-T167 WeakPolarHBondContact OD1-CB 3.37Å; D165-T167 PolarHBondContact OD1-N 2.78Å; T167-L169 VanDerWaalsContact C-N 3.3Å; T167-L169 PolarHBondContact O-N 2.85Å; T167-R170 PolarHBondContact O-N 3.08Å; T167-R170 VanDerWaalsContact O-N 3.11Å; T167-E171 WeakPolarHBondContact O-CG 3.41Å; T167-E171 PolarHBondContact O-N 3.05Å |
| 168 | Q | 98 | Very high | 97.5 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 176.9 | -64.3 | 175.5 | -55.2 | 0 | 0 | 112 | I159 A164 D165 R170 E171 V172 | I159-Q168 HydrophobicContact CD1-CB 4.03Å; A164-Q168 HydrophobicContact CB-CB 4.13Å; D165-Q168 PolarHBondContact O-N 2.73Å; D165-Q168 PolarHBondContact OD1-N 3.39Å; Q168-R170 PolarHBondContact O-N 2.91Å; Q168-E171 PolarHBondContact O-N 2.88Å; Q168-V172 PolarHBondContact O-N 3.18Å; Q168-V172 VanDerWaalsContact O-N 3.14Å |
| 169 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -43 | 174.2 | -64.8 | -171.2 | 0 | 0 | 0 | 112 | I159 A164 D165 T167 V172 A173 R188 L191 L192 L195 | I159-L169 HydrophobicContact CD1-CD2 3.9Å; A164-L169 HydrophobicContact CB-CD2 4.22Å; D165-L169 WeakPolarHBondContact O-CG 3.49Å; D165-L169 PolarHBondContact O-N 2.85Å; T167-L169 VanDerWaalsContact C-N 3.3Å; T167-L169 PolarHBondContact O-N 2.85Å; L169-V172 PolarHBondContact O-N 3.46Å; L169-A173 PolarHBondContact O-N 3.44Å; L169-R188 HydrophobicContact CD1-CG 4.3Å; L169-R188 VanDerWaalsContact CD1-NH1 3.26Å; L169-L191 HydrophobicContact CB-CB 4.44Å; L169-L191 HydrophobicContact CB-CD1 4.42Å; L169-L191 HydrophobicContact CD1-CB 4.02Å; L169-L192 HydrophobicContact CD1-CD2 3.78Å; L169-L192 HydrophobicContact CD1-CG 3.9Å; L169-L192 HydrophobicContact CD2-CD2 3.8Å; L169-L192 HydrophobicContact CG-CD2 4.48Å; L169-L195 HydrophobicContact CB-CD1 4.08Å; L169-L195 HydrophobicContact CD2-CD1 3.86Å; L169-L195 HydrophobicContact CG-CD1 4.46Å |
| 170 | R | 97.5 | Very high | 96.9 | Very high | 45 Ų | 45 | 58.9 Ų | 58.9 | 17% | 0.17 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 176.9 | -70.9 | -176.7 | -169.7 | 116 | -8.3 | 112.6 | K166 T167 Q168 V172 A173 A174 A182 E185 E186 L191 | K166-R170 WeakPolarHBondContact O-CG 3.42Å; K166-R170 PolarHBondContact O-N 3.37Å; K166-R170 VanDerWaalsContact O-N 3.14Å; T167-R170 PolarHBondContact O-N 3.08Å; T167-R170 VanDerWaalsContact O-N 3.11Å; Q168-R170 PolarHBondContact O-N 2.91Å; R170-V172 VanDerWaalsContact C-N 3.31Å; R170-V172 PolarHBondContact O-N 3.46Å; R170-A173 WeakPolarHBondContact O-CB 3.32Å; R170-A173 PolarHBondContact O-N 3.42Å; R170-A174 PolarHBondContact O-N 3.03Å; R170-A182 WeakPolarHBondContact CD-O 3.35Å; R170-A182 PolarHBondContact NE-O 2.98Å; R170-A182 VanDerWaalsContact NE-O 3.15Å; R170-E185 PolarHBondContact NH2-O 3.46Å; R170-E186 IonicContact CZ-OE1 3.89Å; R170-E186 VanDerWaalsContact NH2-CD 3.34Å; R170-E186 IonicContact NH2-OE1 2.83Å; R170-E186 PolarHBondContact NH2-OE1 2.65Å; R170-E186 IonicContact NH2-OE2 3.5Å; R170-E186 PolarHBondContact NH2-OE2 2.97Å; R170-L191 HydrophobicContact CG-CD1 4.29Å; R170-L191 HydrophobicContact CG-CD2 4.26Å |
| 171 | E | 97.6 | Very high | 96.5 | Very high | 117 Ų | 117 | 60.3 Ų | 60.3 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 174.2 | -71.2 | 172.8 | -172.6 | 0 | 0 | 111.9 | T167 Q168 A174 K175 | T167-E171 WeakPolarHBondContact O-CG 3.41Å; T167-E171 PolarHBondContact O-N 3.05Å; Q168-E171 PolarHBondContact O-N 2.88Å; E171-A174 PolarHBondContact O-N 3.21Å; E171-K175 PolarHBondContact O-N 2.96Å |
| 172 | V | 97.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | L157 I159 Q168 L169 R170 A174 K175 L176 L195 | L157-V172 HydrophobicContact CB-CG1 4.1Å; L157-V172 HydrophobicContact CD1-CG1 4.31Å; L157-V172 HydrophobicContact CD2-CG1 4Å; L157-V172 HydrophobicContact CG-CG1 4.37Å; I159-V172 HydrophobicContact CB-CG2 4.2Å; I159-V172 HydrophobicContact CD1-CB 4.48Å; I159-V172 HydrophobicContact CD1-CG2 3.53Å; I159-V172 HydrophobicContact CG1-CG2 4.47Å; I159-V172 HydrophobicContact CG2-CG2 4.3Å; Q168-V172 PolarHBondContact O-N 3.18Å; Q168-V172 VanDerWaalsContact O-N 3.14Å; L169-V172 PolarHBondContact O-N 3.46Å; R170-V172 VanDerWaalsContact C-N 3.31Å; R170-V172 PolarHBondContact O-N 3.46Å; V172-A174 VanDerWaalsContact C-N 3.28Å; V172-A174 PolarHBondContact O-N 3.08Å; V172-K175 WeakPolarHBondContact O-CB 3.22Å; V172-K175 PolarHBondContact O-N 2.88Å; V172-K175 VanDerWaalsContact O-N 3.1Å; V172-L176 PolarHBondContact O-N 3.31Å; V172-L195 HydrophobicContact CB-CD1 4.37Å; V172-L195 HydrophobicContact CB-CD2 4.24Å; V172-L195 HydrophobicContact CG1-CD1 4.41Å; V172-L195 HydrophobicContact CG1-CD2 3.89Å |
| 173 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L169 R170 K175 L176 D177 L178 A182 L195 | L169-A173 PolarHBondContact O-N 3.44Å; R170-A173 WeakPolarHBondContact O-CB 3.32Å; R170-A173 PolarHBondContact O-N 3.42Å; A173-K175 VanDerWaalsContact C-N 3.32Å; A173-K175 PolarHBondContact O-N 2.96Å; A173-L176 CarbonylContact O-C 3.59Å; A173-L176 PolarHBondContact O-N 2.92Å; A173-L176 VanDerWaalsContact O-N 3.1Å; A173-D177 PolarHBondContact O-N 2.96Å; A173-L178 HydrophobicContact CB-CB 4.32Å; A173-L178 PolarHBondContact O-N 3.03Å; A173-A182 HydrophobicContact CB-CB 3.42Å; A173-A182 VanDerWaalsContact CB-CB 3.42Å; A173-L195 HydrophobicContact CB-CD2 3.83Å |
| 174 | A | 97.2 | Very high | 95.7 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R170 E171 V172 L176 D177 S179 | R170-A174 PolarHBondContact O-N 3.03Å; E171-A174 PolarHBondContact O-N 3.21Å; V172-A174 VanDerWaalsContact C-N 3.28Å; V172-A174 PolarHBondContact O-N 3.08Å; A174-L176 PolarHBondContact O-N 3Å; A174-D177 PolarHBondContact O-N 3.3Å; A174-D177 VanDerWaalsContact O-N 3.13Å; A174-S179 WeakPolarHBondContact CA-OG 3.15Å; A174-S179 WeakPolarHBondContact CB-OG 3.16Å |
| 175 | K | 96.6 | Very high | 95.5 | Very high | 157 Ų | 157 | 67.4 Ų | 67.4 | 68% | 0.683 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.7 | -24.5 | 174.7 | -64.9 | 175 | -174.7 | 175.8 | 0 | 112.9 | E171 V172 A173 | E171-K175 PolarHBondContact O-N 2.96Å; V172-K175 WeakPolarHBondContact O-CB 3.22Å; V172-K175 PolarHBondContact O-N 2.88Å; V172-K175 VanDerWaalsContact O-N 3.1Å; A173-K175 VanDerWaalsContact C-N 3.32Å; A173-K175 PolarHBondContact O-N 2.96Å |
| 176 | L | 96.2 | Very high | 95.3 | Very high | 62 Ų | 62 | 68.8 Ų | 68.8 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.8 | 177.1 | -59.8 | 178.1 | 0 | 0 | 0 | 113 | L157 V172 A173 A174 L178 L195 | L157-L176 HydrophobicContact CD2-CD1 4.01Å; L157-L176 HydrophobicContact CD2-CD2 4.4Å; V172-L176 PolarHBondContact O-N 3.31Å; A173-L176 CarbonylContact O-C 3.59Å; A173-L176 PolarHBondContact O-N 2.92Å; A173-L176 VanDerWaalsContact O-N 3.1Å; A174-L176 PolarHBondContact O-N 3Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 HydrophobicContact CB-CD1 3.74Å; L176-L178 HydrophobicContact CB-CG 3.93Å; L176-L178 HydrophobicContact CD1-CD1 4.07Å; L176-L178 PolarHBondContact O-N 2.91Å; L176-L195 HydrophobicContact CD1-CD2 4.06Å |
| 177 | D | 96.5 | Very high | 95.2 | Very high | 142 Ų | 142 | 67.7 Ų | 67.7 | 76% | 0.759 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 36.6 | -174.7 | -159.4 | 31.1 | 0 | 0 | 0 | 113.6 | A173 A174 | A173-D177 PolarHBondContact O-N 2.96Å; A174-D177 PolarHBondContact O-N 3.3Å; A174-D177 VanDerWaalsContact O-N 3.13Å |
| 178 | L | 95.5 | Very high | 95.1 | Very high | 23 Ų | 23 | 67.2 Ų | 67.2 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | trans | -108.5 | 12.4 | -179.2 | -58.9 | 171.1 | 0 | 0 | 0 | 113.4 | A173 L176 N180 V181 A182 L194 F198 | A173-L178 HydrophobicContact CB-CB 4.32Å; A173-L178 PolarHBondContact O-N 3.03Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 HydrophobicContact CB-CD1 3.74Å; L176-L178 HydrophobicContact CB-CG 3.93Å; L176-L178 HydrophobicContact CD1-CD1 4.07Å; L176-L178 PolarHBondContact O-N 2.91Å; L178-N180 PolarHBondContact O-N 3.15Å; L178-N180 PolarHBondContact O-OD1 3.27Å; L178-V181 PolarHBondContact O-N 3.18Å; L178-V181 VanDerWaalsContact O-N 3.14Å; L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 2.99Å; L178-L194 HydrophobicContact CB-CD2 4.14Å; L178-L194 HydrophobicContact CD1-CD1 4.4Å; L178-L194 HydrophobicContact CD1-CG 4.07Å; L178-F198 HydrophobicContact CD1-CB 3.47Å; L178-F198 VanDerWaalsContact CD1-CB 3.47Å; L178-F198 HydrophobicContact CD1-CD2 4.04Å; L178-F198 HydrophobicContact CD1-CG 3.93Å; L178-F198 HydrophobicContact CD2-CB 4.43Å; L178-F198 HydrophobicContact CD2-CD2 4.29Å; L178-F198 HydrophobicContact CD2-CG 4.16Å | ||
| 179 | S | 92.5 | Very high | 95 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -30 | -179 | -76.9 | 0 | 0 | 0 | 0 | 113.4 | A174 V181 A182 D183 | A174-S179 WeakPolarHBondContact CA-OG 3.15Å; A174-S179 WeakPolarHBondContact CB-OG 3.16Å; S179-V181 PolarHBondContact O-N 3.14Å; S179-V181 VanDerWaalsContact O-N 3.14Å; S179-A182 PolarHBondContact O-N 3.43Å; S179-D183 VanDerWaalsContact O-CB 3.26Å; S179-D183 WeakPolarHBondContact O-CB 3.42Å; S179-D183 PolarHBondContact O-N 3.38Å |
| 180 | N | 92.5 | Very high | 94.8 | Very high | 127 Ų | 127 | 65.4 Ų | 65.4 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.7 | -28 | 177.5 | 65.7 | -44.4 | 0 | 0 | 0 | 113.6 | L178 | L178-N180 PolarHBondContact O-N 3.15Å; L178-N180 PolarHBondContact O-OD1 3.27Å |
| 181 | V | 90.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -103.3 | -42.4 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | L178 S179 D183 T184 E185 L194 | L178-V181 PolarHBondContact O-N 3.18Å; L178-V181 VanDerWaalsContact O-N 3.14Å; S179-V181 PolarHBondContact O-N 3.14Å; S179-V181 VanDerWaalsContact O-N 3.14Å; V181-D183 PolarHBondContact O-N 3.49Å; V181-T184 PolarHBondContact O-OG1 3.27Å; V181-E185 PolarHBondContact O-N 3.06Å; V181-L194 HydrophobicContact CB-CD2 4.27Å; V181-L194 HydrophobicContact CG1-CD2 4.34Å |
| 182 | A | 92.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.2 | -31 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R170 A173 L178 S179 T184 E185 L191 L194 | R170-A182 WeakPolarHBondContact CD-O 3.35Å; R170-A182 PolarHBondContact NE-O 2.98Å; R170-A182 VanDerWaalsContact NE-O 3.15Å; A173-A182 HydrophobicContact CB-CB 3.42Å; A173-A182 VanDerWaalsContact CB-CB 3.42Å; L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 2.99Å; S179-A182 PolarHBondContact O-N 3.43Å; A182-T184 VanDerWaalsContact C-N 3.29Å; A182-T184 PolarHBondContact O-N 3.2Å; A182-E185 PolarHBondContact O-N 3.09Å; A182-L191 HydrophobicContact CB-CD2 3.72Å; A182-L194 HydrophobicContact CB-CD2 3.97Å |
| 183 | D | 91.8 | Very high | 94.7 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -29.8 | -174.2 | -72 | -6.1 | 0 | 0 | 0 | 112.6 | S179 V181 | S179-D183 VanDerWaalsContact O-CB 3.26Å; S179-D183 WeakPolarHBondContact O-CB 3.42Å; S179-D183 PolarHBondContact O-N 3.38Å; V181-D183 PolarHBondContact O-N 3.49Å |
| 184 | T | 92.8 | Very high | 94.7 | Very high | 117 Ų | 117 | 61.4 Ų | 61.4 | 72% | 0.718 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -10.1 | 179.1 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | V181 A182 | V181-T184 PolarHBondContact O-OG1 3.27Å; A182-T184 VanDerWaalsContact C-N 3.29Å; A182-T184 PolarHBondContact O-N 3.2Å |
| 185 | E | 93.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | trans | -76.9 | 128.2 | 178.5 | -179.2 | 55.3 | -99.2 | 0 | 0 | 110.7 | R170 V181 A182 D187 T190 L191 | R170-E185 PolarHBondContact NH2-O 3.46Å; V181-E185 PolarHBondContact O-N 3.06Å; A182-E185 PolarHBondContact O-N 3.09Å; E185-D187 VanDerWaalsContact OE1-CB 3.25Å; E185-D187 WeakPolarHBondContact OE1-CB 3.47Å; E185-D187 PolarHBondContact OE1-N 3.36Å; E185-T190 VanDerWaalsContact CD-CB 3.48Å; E185-T190 HydrophobicContact CG-CG2 3.94Å; E185-T190 WeakPolarHBondContact OE2-CB 3.42Å; E185-T190 WeakPolarHBondContact OE2-CG2 3.32Å; E185-L191 HydrophobicContact CB-CD2 3.94Å; E185-L191 HydrophobicContact CB-CG 4.23Å; E185-L191 HydrophobicContact CG-CD2 4.06Å; E185-L191 HydrophobicContact CG-CG 3.86Å | ||
| 186 | E | 93.4 | Very high | 94.8 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | trans | -110.1 | -17.6 | -177.1 | -75.3 | -56.9 | 138.9 | 0 | 0 | 113.5 | K166 R170 | K166-E186 WeakPolarHBondContact CD-O 3.43Å; K166-E186 PolarHBondContact NZ-O 2.81Å; K166-E186 IonicContact NZ-OE2 2.74Å; K166-E186 PolarHBondContact NZ-OE2 2.66Å; R170-E186 IonicContact CZ-OE1 3.89Å; R170-E186 VanDerWaalsContact NH2-CD 3.34Å; R170-E186 IonicContact NH2-OE1 2.83Å; R170-E186 PolarHBondContact NH2-OE1 2.65Å; R170-E186 IonicContact NH2-OE2 3.5Å; R170-E186 PolarHBondContact NH2-OE2 2.97Å | ||
| 187 | D | 93.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 51.7 Ų | 51.7 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | trans | -78.9 | 125.9 | 174.4 | -171.4 | -79.4 | 0 | 0 | 0 | 110.5 | E185 D189 T190 L191 | E185-D187 VanDerWaalsContact OE1-CB 3.25Å; E185-D187 WeakPolarHBondContact OE1-CB 3.47Å; E185-D187 PolarHBondContact OE1-N 3.36Å; D187-D189 WeakPolarHBondContact OD1-CA 3.14Å; D187-D189 WeakPolarHBondContact OD1-CB 3.29Å; D187-D189 PolarHBondContact OD1-N 3.21Å; D187-T190 PolarHBondContact OD1-N 2.82Å; D187-T190 PolarHBondContact OD1-OG1 2.9Å; D187-L191 PolarHBondContact O-N 2.88Å | ||
| 188 | R | 96.5 | Very high | 94.8 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 28% | 0.275 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | -179.2 | 173 | 175.4 | -176.6 | 72.2 | -2.2 | 111.8 | P161 A164 L169 L191 L192 | P161-R188 PolarHBondContact O-NH2 2.51Å; A164-R188 PolarHBondContact O-NH1 2.59Å; A164-R188 PolarHBondContact O-NH2 2.77Å; L169-R188 HydrophobicContact CD1-CG 4.3Å; L169-R188 VanDerWaalsContact CD1-NH1 3.26Å; R188-L191 PolarHBondContact O-N 2.85Å; R188-L192 HydrophobicContact CG-CD1 4.09Å; R188-L192 HydrophobicContact CG-CG 4.43Å; R188-L192 WeakPolarHBondContact O-CG 3.23Å; R188-L192 PolarHBondContact O-N 3.42Å |
| 189 | D | 95.2 | Very high | 94.9 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.3 | -38.3 | -176.6 | -72.1 | -49.6 | 0 | 0 | 0 | 111 | D187 L191 L192 Q193 S218 Q219 | D187-D189 WeakPolarHBondContact OD1-CA 3.14Å; D187-D189 WeakPolarHBondContact OD1-CB 3.29Å; D187-D189 PolarHBondContact OD1-N 3.21Å; D189-L191 VanDerWaalsContact C-N 3.28Å; D189-L191 PolarHBondContact O-N 3.32Å; D189-L192 CarbonylContact O-C 3.55Å; D189-L192 PolarHBondContact O-N 2.86Å; D189-L192 VanDerWaalsContact O-N 3.12Å; D189-Q193 WeakPolarHBondContact O-CB 2.94Å; D189-Q193 VanDerWaalsContact O-CG 3.3Å; D189-Q193 WeakPolarHBondContact O-CG 3.27Å; D189-Q193 PolarHBondContact O-N 3.08Å; D189-S218 PolarHBondContact OD1-OG 3.5Å; D189-S218 WeakPolarHBondContact OD2-CB 3.37Å; D189-S218 PolarHBondContact OD2-OG 2.85Å; D189-Q219 HydrophobicContact CB-CG 4.2Å; D189-Q219 WeakPolarHBondContact OD1-CG 3.33Å; D189-Q219 PolarHBondContact OD1-NE2 3.37Å |
| 190 | T | 93.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 174 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | E185 D187 Q193 L194 R272 | E185-T190 VanDerWaalsContact CD-CB 3.48Å; E185-T190 HydrophobicContact CG-CG2 3.94Å; E185-T190 WeakPolarHBondContact OE2-CB 3.42Å; E185-T190 WeakPolarHBondContact OE2-CG2 3.32Å; D187-T190 PolarHBondContact OD1-N 2.82Å; D187-T190 PolarHBondContact OD1-OG1 2.9Å; T190-Q193 PolarHBondContact O-N 2.96Å; T190-L194 WeakPolarHBondContact O-CB 3.12Å; T190-L194 PolarHBondContact O-N 3.44Å; T190-R272 PolarHBondContact OG1-NH2 2.69Å |
| 191 | L | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 173.3 | -72.8 | 171.5 | 0 | 0 | 0 | 112 | K166 L169 R170 A182 E185 D187 R188 D189 L194 L195 | K166-L191 HydrophobicContact CB-CD1 4.45Å; K166-L191 HydrophobicContact CG-CD1 4.42Å; L169-L191 HydrophobicContact CB-CB 4.44Å; L169-L191 HydrophobicContact CB-CD1 4.42Å; L169-L191 HydrophobicContact CD1-CB 4.02Å; R170-L191 HydrophobicContact CG-CD1 4.29Å; R170-L191 HydrophobicContact CG-CD2 4.26Å; A182-L191 HydrophobicContact CB-CD2 3.72Å; E185-L191 HydrophobicContact CB-CD2 3.94Å; E185-L191 HydrophobicContact CB-CG 4.23Å; E185-L191 HydrophobicContact CG-CD2 4.06Å; E185-L191 HydrophobicContact CG-CG 3.86Å; D187-L191 PolarHBondContact O-N 2.88Å; R188-L191 PolarHBondContact O-N 2.85Å; D189-L191 VanDerWaalsContact C-N 3.28Å; D189-L191 PolarHBondContact O-N 3.32Å; L191-L194 PolarHBondContact O-N 3.23Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.44Å |
| 192 | L | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 178.1 | -74.1 | 175 | 0 | 0 | 0 | 112 | Y149 F153 P161 L169 R188 D189 L195 F196 P216 | Y149-L192 PolarHBondContact OH-O 2.81Å; F153-L192 HydrophobicContact CE1-CD2 4.17Å; F153-L192 HydrophobicContact CZ-CD2 4.31Å; P161-L192 HydrophobicContact CB-CD2 3.8Å; L169-L192 HydrophobicContact CD1-CD2 3.78Å; L169-L192 HydrophobicContact CD1-CG 3.9Å; L169-L192 HydrophobicContact CD2-CD2 3.8Å; L169-L192 HydrophobicContact CG-CD2 4.48Å; R188-L192 HydrophobicContact CG-CD1 4.09Å; R188-L192 HydrophobicContact CG-CG 4.43Å; R188-L192 WeakPolarHBondContact O-CG 3.23Å; R188-L192 PolarHBondContact O-N 3.42Å; D189-L192 CarbonylContact O-C 3.55Å; D189-L192 PolarHBondContact O-N 2.86Å; D189-L192 VanDerWaalsContact O-N 3.12Å; L192-L195 PolarHBondContact O-N 3.33Å; L192-F196 WeakPolarHBondContact O-CB 3.42Å; L192-F196 PolarHBondContact O-N 2.84Å; L192-P216 HydrophobicContact CD1-CG 4.06Å |
| 193 | Q | 96.3 | Very high | 96 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 29% | 0.29 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.2 | -73.8 | 173.8 | -30 | 0 | 0 | 110.7 | D189 T190 L195 F196 T197 | D189-Q193 WeakPolarHBondContact O-CB 2.94Å; D189-Q193 VanDerWaalsContact O-CG 3.3Å; D189-Q193 WeakPolarHBondContact O-CG 3.27Å; D189-Q193 PolarHBondContact O-N 3.08Å; T190-Q193 PolarHBondContact O-N 2.96Å; Q193-L195 VanDerWaalsContact C-N 3.33Å; Q193-L195 PolarHBondContact O-N 2.65Å; Q193-F196 PolarHBondContact O-N 2.84Å; Q193-T197 WeakPolarHBondContact O-CB 3.45Å; Q193-T197 PolarHBondContact O-N 3.21Å; Q193-T197 PolarHBondContact O-OG1 3.1Å |
| 194 | L | 96.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 13% | 0.131 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56 | -48.3 | 176.2 | -176.2 | 72.6 | 0 | 0 | 0 | 111.3 | L178 V181 A182 T190 L191 F198 | L178-L194 HydrophobicContact CB-CD2 4.14Å; L178-L194 HydrophobicContact CD1-CD1 4.4Å; L178-L194 HydrophobicContact CD1-CG 4.07Å; V181-L194 HydrophobicContact CB-CD2 4.27Å; V181-L194 HydrophobicContact CG1-CD2 4.34Å; A182-L194 HydrophobicContact CB-CD2 3.97Å; T190-L194 WeakPolarHBondContact O-CB 3.12Å; T190-L194 PolarHBondContact O-N 3.44Å; L191-L194 PolarHBondContact O-N 3.23Å; L194-F198 HydrophobicContact CD1-CD2 3.6Å; L194-F198 HydrophobicContact CD1-CE2 3.62Å; L194-F198 HydrophobicContact CG-CD2 4.29Å; L194-F198 VanDerWaalsContact O-CD2 3.3Å; L194-F198 WeakPolarHBondContact O-CD2 3.36Å; L194-F198 PolarHBondContact O-N 2.99Å; L194-F198 VanDerWaalsContact O-N 3.08Å |
| 195 | L | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | 178.4 | -69.7 | -179.8 | 0 | 0 | 0 | 112.9 | F153 L157 L169 V172 A173 L176 L191 L192 Q193 G199 V200 | F153-L195 HydrophobicContact CE1-CB 3.78Å; F153-L195 HydrophobicContact CE1-CD1 4.27Å; F153-L195 HydrophobicContact CZ-CB 4.04Å; L157-L195 HydrophobicContact CD1-CB 4.02Å; L169-L195 HydrophobicContact CB-CD1 4.08Å; L169-L195 HydrophobicContact CD2-CD1 3.86Å; L169-L195 HydrophobicContact CG-CD1 4.46Å; V172-L195 HydrophobicContact CB-CD1 4.37Å; V172-L195 HydrophobicContact CB-CD2 4.24Å; V172-L195 HydrophobicContact CG1-CD1 4.41Å; V172-L195 HydrophobicContact CG1-CD2 3.89Å; A173-L195 HydrophobicContact CB-CD2 3.83Å; L176-L195 HydrophobicContact CD1-CD2 4.06Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.44Å; L192-L195 PolarHBondContact O-N 3.33Å; Q193-L195 VanDerWaalsContact C-N 3.33Å; Q193-L195 PolarHBondContact O-N 2.65Å; L195-G199 WeakPolarHBondContact O-CA 3.35Å; L195-G199 PolarHBondContact O-N 3.4Å; L195-V200 PolarHBondContact O-N 2.91Å |
| 196 | F | 98.2 | Very high | 96.8 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -65.5 | -51.1 | 178.2 | -175.9 | -102.2 | 0 | 0 | 0 | 110.6 | Y149 F153 L192 Q193 F198 V200 E201 V212 F215 Y239 | Y149-F196 HydrophobicContact CD2-CD2 4.12Å; Y149-F196 HydrophobicContact CD2-CE2 4.09Å; Y149-F196 HydrophobicContact CE2-CB 4.33Å; Y149-F196 AromaticContact CE2-CD2 3.62Å; Y149-F196 HydrophobicContact CE2-CD2 3.62Å; Y149-F196 HydrophobicContact CE2-CE2 4.02Å; Y149-F196 AromaticContact CE2-CG 3.95Å; Y149-F196 HydrophobicContact CE2-CG 3.95Å; F153-F196 HydrophobicContact CD2-CD2 4.3Å; F153-F196 HydrophobicContact CE2-CB 3.83Å; F153-F196 AromaticContact CE2-CD2 3.63Å; F153-F196 HydrophobicContact CE2-CD2 3.63Å; F153-F196 HydrophobicContact CE2-CG 4.19Å; F153-F196 HydrophobicContact CZ-CB 3.88Å; L192-F196 WeakPolarHBondContact O-CB 3.42Å; L192-F196 PolarHBondContact O-N 2.84Å; Q193-F196 PolarHBondContact O-N 2.84Å; F196-F198 PolarHBondContact O-N 2.74Å; F196-V200 HydrophobicContact CD2-CB 3.66Å; F196-V200 HydrophobicContact CD2-CG1 3.82Å; F196-V200 HydrophobicContact CD2-CG2 3.98Å; F196-V200 HydrophobicContact CE2-CB 3.98Å; F196-V200 HydrophobicContact CE2-CG1 3.61Å; F196-V200 HydrophobicContact CG-CB 4.32Å; F196-V200 HydrophobicContact CZ-CG1 4.43Å; F196-V200 CarbonylContact O-C 3.48Å; F196-V200 WeakPolarHBondContact O-CA 3.39Å; F196-V200 WeakPolarHBondContact O-CB 3.34Å; F196-V200 PolarHBondContact O-N 3.41Å; F196-E201 HydrophobicContact CD1-CG 3.79Å; F196-E201 WeakPolarHBondContact CD1-OE1 3.4Å; F196-E201 HydrophobicContact CE1-CG 3.56Å; F196-E201 HydrophobicContact CZ-CG 4.27Å; F196-E201 PolarHBondContact O-N 3.38Å; F196-V212 HydrophobicContact CE2-CB 4.45Å; F196-V212 HydrophobicContact CE2-CG1 3.92Å; F196-V212 HydrophobicContact CE2-CG2 4.24Å; F196-V212 HydrophobicContact CZ-CB 4.2Å; F196-V212 HydrophobicContact CZ-CG1 4.08Å; F196-V212 HydrophobicContact CZ-CG2 4.04Å; F196-F215 HydrophobicContact CE1-CE1 4.38Å; F196-F215 HydrophobicContact CE1-CZ 4.3Å; F196-F215 HydrophobicContact CZ-CE1 4.42Å; F196-F215 HydrophobicContact CZ-CZ 4.1Å; F196-Y239 HydrophobicContact CE1-CE2 4.04Å; F196-Y239 AromaticContact CE1-CZ 3.79Å; F196-Y239 WeakPolarHBondContact CE1-OH 3.18Å; F196-Y239 HydrophobicContact CZ-CE2 4.02Å |
| 197 | T | 96.1 | Very high | 97 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -66.3 | -36.6 | -176.3 | -61 | 0 | 0 | 0 | 0 | 113.7 | Q193 E201 P202 | Q193-T197 WeakPolarHBondContact O-CB 3.45Å; Q193-T197 PolarHBondContact O-N 3.21Å; Q193-T197 PolarHBondContact O-OG1 3.1Å; T197-E201 WeakPolarHBondContact CA-OE1 3.45Å; T197-E201 WeakPolarHBondContact CB-OE1 3.31Å; T197-E201 PolarHBondContact OG1-OE1 3.49Å; T197-P202 WeakPolarHBondContact O-CD 3.31Å |
| 198 | F | 96.7 | Very high | 97.2 | Very high | 116 Ų | 116 | 43.5 Ų | 43.5 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -99.4 | -17 | -178.9 | -67.6 | -75.2 | 0 | 0 | 0 | 114 | L178 L194 F196 | L178-F198 HydrophobicContact CD1-CB 3.47Å; L178-F198 VanDerWaalsContact CD1-CB 3.47Å; L178-F198 HydrophobicContact CD1-CD2 4.04Å; L178-F198 HydrophobicContact CD1-CG 3.93Å; L178-F198 HydrophobicContact CD2-CB 4.43Å; L178-F198 HydrophobicContact CD2-CD2 4.29Å; L178-F198 HydrophobicContact CD2-CG 4.16Å; L194-F198 HydrophobicContact CD1-CD2 3.6Å; L194-F198 HydrophobicContact CD1-CE2 3.62Å; L194-F198 HydrophobicContact CG-CD2 4.29Å; L194-F198 VanDerWaalsContact O-CD2 3.3Å; L194-F198 WeakPolarHBondContact O-CD2 3.36Å; L194-F198 PolarHBondContact O-N 2.99Å; L194-F198 VanDerWaalsContact O-N 3.08Å; F196-F198 PolarHBondContact O-N 2.74Å |
| 199 | G | 97.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -111.7 | -31.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L195 N203 | L195-G199 WeakPolarHBondContact O-CA 3.35Å; L195-G199 PolarHBondContact O-N 3.4Å; G199-N203 PolarHBondContact O-ND2 3.38Å |
| 200 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -106.5 | -55.9 | -177.7 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | A152 F153 Y156 L157 L195 F196 P202 N203 I204 | A152-V200 HydrophobicContact CB-CG1 3.87Å; F153-V200 HydrophobicContact CD2-CG2 4.07Å; F153-V200 HydrophobicContact CE2-CG2 4.17Å; F153-V200 HydrophobicContact CG-CG2 4.44Å; Y156-V200 HydrophobicContact CD2-CG1 4.03Å; L157-V200 HydrophobicContact CD1-CG2 3.96Å; L157-V200 HydrophobicContact CG-CG2 4.3Å; L195-V200 PolarHBondContact O-N 2.91Å; F196-V200 HydrophobicContact CD2-CB 3.66Å; F196-V200 HydrophobicContact CD2-CG1 3.82Å; F196-V200 HydrophobicContact CD2-CG2 3.98Å; F196-V200 HydrophobicContact CE2-CB 3.98Å; F196-V200 HydrophobicContact CE2-CG1 3.61Å; F196-V200 HydrophobicContact CG-CB 4.32Å; F196-V200 HydrophobicContact CZ-CG1 4.43Å; F196-V200 CarbonylContact O-C 3.48Å; F196-V200 WeakPolarHBondContact O-CA 3.39Å; F196-V200 WeakPolarHBondContact O-CB 3.34Å; F196-V200 PolarHBondContact O-N 3.41Å; V200-P202 VanDerWaalsContact C-N 3.33Å; V200-N203 WeakPolarHBondContact O-CB 3.19Å; V200-N203 PolarHBondContact O-N 3.07Å; V200-I204 HydrophobicContact CG1-CD1 4.44Å; V200-I204 HydrophobicContact CG1-CG2 4.15Å; V200-I204 PolarHBondContact O-N 3.16Å |
| 201 | E | 97.8 | Very high | 97.8 | Very high | 35 Ų | 35 | 38 Ų | 38 | 16% | 0.164 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -50.1 | -42 | -176.8 | -68.1 | -179.7 | -139.1 | 0 | 0 | 114 | F196 T197 N203 I204 Y239 | F196-E201 HydrophobicContact CD1-CG 3.79Å; F196-E201 WeakPolarHBondContact CD1-OE1 3.4Å; F196-E201 HydrophobicContact CE1-CG 3.56Å; F196-E201 HydrophobicContact CZ-CG 4.27Å; F196-E201 PolarHBondContact O-N 3.38Å; T197-E201 WeakPolarHBondContact CA-OE1 3.45Å; T197-E201 WeakPolarHBondContact CB-OE1 3.31Å; T197-E201 PolarHBondContact OG1-OE1 3.49Å; E201-N203 PolarHBondContact O-N 3.27Å; E201-N203 VanDerWaalsContact O-N 3.08Å; E201-I204 WeakPolarHBondContact O-CG1 3.15Å; E201-I204 PolarHBondContact O-N 2.84Å; E201-Y239 HydrophobicContact CG-CD1 4.17Å; E201-Y239 HydrophobicContact CG-CE1 3.66Å |
| 202 | P | 97.2 | Very high | 97.9 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 42% | 0.422 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -68.3 | -10.9 | -179.8 | -21.3 | 35.8 | 0 | 0 | 0 | 114.3 | T197 V200 K206 | T197-P202 WeakPolarHBondContact O-CD 3.31Å; V200-P202 VanDerWaalsContact C-N 3.33Å; P202-K206 WeakPolarHBondContact O-CE 3.03Å; P202-K206 PolarHBondContact O-NZ 3.32Å |
| 203 | N | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 39.8 Ų | 39.8 | 37% | 0.369 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -110.2 | -11.8 | -173.1 | -65.3 | -59.1 | 0 | 0 | 0 | 114 | Y156 G199 V200 E201 | Y156-N203 HydrophobicContact CD1-CB 3.51Å; Y156-N203 HydrophobicContact CE1-CB 3.6Å; Y156-N203 HydrophobicContact CG-CB 4.06Å; G199-N203 PolarHBondContact O-ND2 3.38Å; V200-N203 WeakPolarHBondContact O-CB 3.19Å; V200-N203 PolarHBondContact O-N 3.07Å; E201-N203 PolarHBondContact O-N 3.27Å; E201-N203 VanDerWaalsContact O-N 3.08Å |
| 204 | I | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -101.9 | 168.2 | 178.2 | 60 | 172.7 | 0 | 0 | 0 | 111.6 | Y156 V200 E201 K206 T210 V212 Y239 | Y156-I204 HydrophobicContact CD2-CG2 4.19Å; Y156-I204 HydrophobicContact CE2-CG2 3.37Å; V200-I204 HydrophobicContact CG1-CD1 4.44Å; V200-I204 HydrophobicContact CG1-CG2 4.15Å; V200-I204 PolarHBondContact O-N 3.16Å; E201-I204 WeakPolarHBondContact O-CG1 3.15Å; E201-I204 PolarHBondContact O-N 2.84Å; I204-K206 PolarHBondContact O-N 3.05Å; I204-K206 VanDerWaalsContact O-N 3.11Å; I204-T210 HydrophobicContact CB-CG2 3.9Å; I204-T210 HydrophobicContact CD1-CG2 4.35Å; I204-T210 HydrophobicContact CG2-CG2 4.15Å; I204-V212 HydrophobicContact CD1-CG2 3.82Å; I204-Y239 HydrophobicContact CD1-CD2 3.75Å; I204-Y239 HydrophobicContact CD1-CE2 4.5Å; I204-Y239 HydrophobicContact CD1-CG 3.79Å |
| 205 | G | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 66.1 | 18 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115 | K208 T210 Y240 K241 | G205-K208 CarbonylContact C-O 3.46Å; G205-K208 VanDerWaalsContact CA-O 3.27Å; G205-K208 WeakPolarHBondContact CA-O 3.14Å; G205-T210 WeakPolarHBondContact CA-OG1 3.14Å; G205-T210 PolarHBondContact N-OG1 3.5Å; G205-Y240 WeakPolarHBondContact O-CD2 3.3Å; G205-K241 PolarHBondContact O-N 2.94Å |
| 206 | K | 97.8 | Very high | 98.1 | Very high | 120 Ų | 120 | 37.4 Ų | 37.4 | 52% | 0.522 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -72.9 | -53.9 | -173.9 | -59.3 | -169.2 | -171.6 | -123.7 | 0 | 112.3 | P202 I204 | P202-K206 WeakPolarHBondContact O-CE 3.03Å; P202-K206 PolarHBondContact O-NZ 3.32Å; I204-K206 PolarHBondContact O-N 3.05Å; I204-K206 VanDerWaalsContact O-N 3.11Å |
| 207 | E | 97.6 | Very high | 98.1 | Very high | 164 Ų | 164 | 38.1 Ų | 38.1 | 77% | 0.766 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -89.5 | -37.3 | -174.5 | -56.8 | -55.5 | 147.2 | 0 | 0 | 112.4 | Y240 | E207-Y240 PolarHBondContact O-OH 3.39Š|
| 208 | K | 98.5 | Very high | 98.1 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 30% | 0.296 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -148.9 | 163.5 | -179.7 | 64.9 | -170.2 | -161.6 | 139.2 | 0 | 109.5 | P142 A143 A144 G205 Y240 | P142-K208 HydrophobicContact CB-CB 4.27Å; P142-K208 HydrophobicContact CB-CD 4.36Å; P142-K208 HydrophobicContact CG-CB 4.4Å; A143-K208 WeakPolarHBondContact O-CD 3.43Å; A143-K208 PolarHBondContact O-NZ 3.12Å; A144-K208 PolarHBondContact O-NZ 2.98Å; G205-K208 CarbonylContact C-O 3.46Å; G205-K208 VanDerWaalsContact CA-O 3.27Å; G205-K208 WeakPolarHBondContact CA-O 3.14Å; K208-Y240 VanDerWaalsContact C-CE2 3.46Å; K208-Y240 VanDerWaalsContact CA-CE2 3.41Å |
| 209 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -56.8 | 144.9 | 179.7 | -24 | 33.6 | 0 | 0 | 0 | 112.4 | L135 A144 E145 V238 Y239 Y240 | L135-P209 HydrophobicContact CD1-CB 4.01Å; L135-P209 HydrophobicContact CD1-CG 4.16Å; A144-P209 CarbonylContact C-O 3.46Å; A144-P209 WeakPolarHBondContact CA-O 3.35Å; A144-P209 HydrophobicContact CB-CB 3.95Å; A144-P209 WeakPolarHBondContact CB-O 3.35Å; E145-P209 PolarHBondContact N-O 2.91Å; P209-V238 HydrophobicContact CB-CG2 4.04Å; P209-Y239 CarbonylContact C-O 3.59Å; P209-Y239 WeakPolarHBondContact CA-O 3.37Å; P209-Y240 HydrophobicContact CB-CD2 4.48Å; P209-Y240 HydrophobicContact CB-CG 4.39Å; P209-Y240 HydrophobicContact CG-CD1 4.25Å; P209-Y240 HydrophobicContact CG-CD2 4.07Å; P209-Y240 HydrophobicContact CG-CG 3.93Å | ||
| 210 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.6 | 175.9 | -58 | 0 | 0 | 0 | 0 | 109.2 | E145 L147 I204 G205 V212 V238 Y239 | E145-T210 HydrophobicContact CG-CG2 3.94Å; E145-T210 WeakPolarHBondContact CG-OG1 3.3Å; E145-T210 WeakPolarHBondContact O-CA 3.37Å; E145-T210 WeakPolarHBondContact OE1-CG2 3.36Å; E145-T210 PolarHBondContact OE1-OG1 2.87Å; L147-T210 HydrophobicContact CD1-CG2 4.26Å; I204-T210 HydrophobicContact CB-CG2 3.9Å; I204-T210 HydrophobicContact CD1-CG2 4.35Å; I204-T210 HydrophobicContact CG2-CG2 4.15Å; G205-T210 WeakPolarHBondContact CA-OG1 3.14Å; G205-T210 PolarHBondContact N-OG1 3.5Å; T210-V212 HydrophobicContact CG2-CG2 4.43Å; T210-V238 WeakPolarHBondContact O-CA 3.21Å; T210-Y239 PolarHBondContact N-O 3.34Å; T210-Y239 PolarHBondContact O-N 3.38Å |
| 211 | F | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 136 | 165 | -72.9 | -96.2 | 0 | 0 | 0 | 110.4 | M128 V131 D132 A144 E145 S146 L147 F236 E237 V238 | M128-F211 HydrophobicContact CB-CD1 4.14Å; M128-F211 HydrophobicContact CB-CE1 3.95Å; M128-F211 HydrophobicContact CB-CZ 4.4Å; M128-F211 HydrophobicContact CE-CB 3.64Å; M128-F211 HydrophobicContact CE-CD1 3.87Å; M128-F211 HydrophobicContact CE-CG 3.84Å; M128-F211 HydrophobicContact CG-CD1 3.85Å; M128-F211 HydrophobicContact CG-CE1 3.96Å; M128-F211 WeakPolarHBondContact O-CZ 3.31Å; V131-F211 HydrophobicContact CB-CE1 4Å; V131-F211 HydrophobicContact CB-CZ 3.71Å; V131-F211 HydrophobicContact CG1-CE1 3.88Å; V131-F211 HydrophobicContact CG1-CZ 3.58Å; D132-F211 HydrophobicContact CB-CE2 4.13Å; D132-F211 HydrophobicContact CB-CZ 4.46Å; A144-F211 HydrophobicContact CB-CD2 3.54Å; A144-F211 HydrophobicContact CB-CE2 3.51Å; E145-F211 PolarHBondContact O-N 2.94Å; S146-F211 WeakPolarHBondContact CA-O 3.44Å; L147-F211 PolarHBondContact N-O 3.25Å; F211-F236 AromaticContact CD1-CD2 3.58Å; F211-F236 HydrophobicContact CD1-CD2 3.58Å; F211-F236 HydrophobicContact CD1-CE2 4.04Å; F211-F236 HydrophobicContact CD1-CG 4.38Å; F211-F236 AromaticContact CE1-CD2 3.75Å; F211-F236 HydrophobicContact CE1-CD2 3.75Å; F211-F236 AromaticContact CE1-CE2 3.69Å; F211-F236 HydrophobicContact CE1-CE2 3.69Å; F211-E237 CarbonylContact C-O 3.51Å; F211-E237 VanDerWaalsContact CA-O 3.3Å; F211-E237 WeakPolarHBondContact CA-O 3.43Å; F211-V238 HydrophobicContact CD1-CB 3.76Å; F211-V238 HydrophobicContact CD1-CG2 4.12Å; F211-V238 HydrophobicContact CD2-CB 4.45Å; F211-V238 HydrophobicContact CD2-CG2 3.89Å; F211-V238 HydrophobicContact CE1-CB 3.71Å; F211-V238 HydrophobicContact CE1-CG1 4.28Å; F211-V238 HydrophobicContact CE1-CG2 4.03Å; F211-V238 HydrophobicContact CE2-CB 4.4Å; F211-V238 HydrophobicContact CE2-CG2 3.8Å; F211-V238 HydrophobicContact CG-CB 4.14Å; F211-V238 HydrophobicContact CG-CG2 4.05Å; F211-V238 HydrophobicContact CZ-CB 4.04Å; F211-V238 HydrophobicContact CZ-CG2 3.87Å |
| 212 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122 | 165.1 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | L147 Y149 F196 I204 T210 F215 F236 E237 | L147-V212 VanDerWaalsContact O-CA 3.28Å; L147-V212 WeakPolarHBondContact O-CA 3.29Å; Y149-V212 HydrophobicContact CD2-CG1 4.14Å; F196-V212 HydrophobicContact CE2-CB 4.45Å; F196-V212 HydrophobicContact CE2-CG1 3.92Å; F196-V212 HydrophobicContact CE2-CG2 4.24Å; F196-V212 HydrophobicContact CZ-CB 4.2Å; F196-V212 HydrophobicContact CZ-CG1 4.08Å; F196-V212 HydrophobicContact CZ-CG2 4.04Å; I204-V212 HydrophobicContact CD1-CG2 3.82Å; T210-V212 HydrophobicContact CG2-CG2 4.43Å; V212-F215 HydrophobicContact CB-CE2 4.29Å; V212-F215 HydrophobicContact CB-CZ 4.46Å; V212-F215 HydrophobicContact CG1-CE2 4.05Å; V212-F215 HydrophobicContact CG1-CZ 4.2Å; V212-F215 WeakPolarHBondContact O-CE2 3.4Å; V212-F236 CarbonylContact O-C 3.52Å; V212-F236 WeakPolarHBondContact O-CA 3.48Å; V212-F236 WeakPolarHBondContact O-CB 3.3Å; V212-E237 PolarHBondContact N-O 3.2Å; V212-E237 PolarHBondContact O-N 3.47Å |
| 213 | Y | 98.8 | Very high | 97.6 | Very high | 41 Ų | 41 | 31.9 Ų | 31.9 | 16% | 0.161 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 170.2 | -178.2 | 68.3 | -87.2 | 0 | 0 | 0 | 112 | M124 Y125 M128 L147 S148 Y149 R235 | M124-Y213 HydrophobicContact CE-CD2 3.71Å; M124-Y213 HydrophobicContact CE-CG 4.1Å; Y125-Y213 AromaticContact CE1-CD2 3.97Å; Y125-Y213 HydrophobicContact CE1-CD2 3.97Å; Y125-Y213 AromaticContact CE1-CE2 3.78Å; Y125-Y213 HydrophobicContact CE1-CE2 3.78Å; M128-Y213 HydrophobicContact CE-CD1 4.02Å; M128-Y213 HydrophobicContact CE-CG 4.36Å; L147-Y213 WeakPolarHBondContact O-CD1 3.27Å; L147-Y213 WeakPolarHBondContact O-CE1 3.49Å; L147-Y213 PolarHBondContact O-N 3.17Å; S148-Y213 CarbonylContact C-O 3.42Å; S148-Y213 VanDerWaalsContact CA-O 3.27Å; S148-Y213 WeakPolarHBondContact CA-O 3.46Å; Y149-Y213 PolarHBondContact N-O 3.1Å; Y213-R235 CarbonylContact C-O 3.58Å; Y213-R235 VanDerWaalsContact CA-O 3.32Å; Y213-R235 WeakPolarHBondContact CA-O 3.29Å |
| 214 | H | 98.8 | Very high | 97.6 | Very high | 26 Ų | 26 | 30.3 Ų | 30.3 | 12% | 0.12 | 16% | 0.155 | C | C | . | . | trans | 60.6 | 51 | -177.9 | -69.5 | 176.7 | 0 | 0 | 0 | 113.4 | Y125 Y149 V232 A233 R235 | Y125-H214 PolarHBondContact OH-CE1 3.45Å; Y125-H214 PolarHBondContact OH-NE2 3.05Å; Y149-H214 VanDerWaalsContact CB-O 3.29Å; Y149-H214 WeakPolarHBondContact CB-O 3.42Å; H214-V232 HydrophobicContact CB-CB 3.86Å; H214-V232 HydrophobicContact CB-CG1 4.14Å; H214-V232 HydrophobicContact CB-CG2 3.88Å; H214-V232 WeakPolarHBondContact O-CG1 3.47Å; H214-A233 VanDerWaalsContact CA-O 3.29Å; H214-A233 WeakPolarHBondContact CA-O 3.42Å; H214-R235 PolarHBondContact N-O 2.78Å | ||
| 215 | F | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | trans | -57.3 | 157.6 | 169.7 | -80.7 | -104.6 | 0 | 0 | 0 | 111.3 | Y149 F196 V212 A217 V232 A233 R235 E237 | Y149-F215 AromaticContact CD2-CD1 3.45Å; Y149-F215 HydrophobicContact CD2-CD1 3.45Å; Y149-F215 VanDerWaalsContact CD2-CD1 3.45Å; Y149-F215 HydrophobicContact CD2-CD2 4.31Å; Y149-F215 AromaticContact CD2-CE1 3.56Å; Y149-F215 HydrophobicContact CD2-CE1 3.56Å; Y149-F215 HydrophobicContact CD2-CE2 4.39Å; Y149-F215 AromaticContact CD2-CG 3.85Å; Y149-F215 HydrophobicContact CD2-CG 3.85Å; Y149-F215 HydrophobicContact CD2-CZ 4.03Å; Y149-F215 AromaticContact CE2-CD1 3.48Å; Y149-F215 HydrophobicContact CE2-CD1 3.48Å; Y149-F215 VanDerWaalsContact CE2-CD1 3.48Å; Y149-F215 AromaticContact CE2-CE1 3.51Å; Y149-F215 HydrophobicContact CE2-CE1 3.51Å; Y149-F215 HydrophobicContact CE2-CG 4.32Å; Y149-F215 HydrophobicContact CE2-CZ 4.35Å; Y149-F215 HydrophobicContact CG-CD1 4.48Å; F196-F215 HydrophobicContact CE1-CE1 4.38Å; F196-F215 HydrophobicContact CE1-CZ 4.3Å; F196-F215 HydrophobicContact CZ-CE1 4.42Å; F196-F215 HydrophobicContact CZ-CZ 4.1Å; V212-F215 HydrophobicContact CB-CE2 4.29Å; V212-F215 HydrophobicContact CB-CZ 4.46Å; V212-F215 HydrophobicContact CG1-CE2 4.05Å; V212-F215 HydrophobicContact CG1-CZ 4.2Å; V212-F215 WeakPolarHBondContact O-CE2 3.4Å; F215-A217 PolarHBondContact O-N 2.83Å; F215-V232 CarbonylContact O-C 3.45Å; F215-V232 VanDerWaalsContact O-CA 3.23Å; F215-V232 WeakPolarHBondContact O-CA 3.31Å; F215-V232 WeakPolarHBondContact O-CB 3.38Å; F215-A233 PolarHBondContact O-N 3.24Å; F215-R235 HydrophobicContact CD2-CG 4.24Å; F215-E237 HydrophobicContact CE2-CB 4.19Å; F215-E237 HydrophobicContact CE2-CG 4.02Å; F215-E237 HydrophobicContact CZ-CB 4.18Å; F215-E237 HydrophobicContact CZ-CG 3.97Å; F215-E237 WeakPolarHBondContact CZ-OE2 3.35Å | ||
| 216 | P | 98.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 5% | 0.045 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -51.7 | 141.3 | 175.1 | -26.1 | 35 | 0 | 0 | 0 | 112 | Y149 L192 S218 Q219 | Y149-P216 HydrophobicContact CD1-CG 4.07Å; Y149-P216 HydrophobicContact CE1-CG 3.74Å; L192-P216 HydrophobicContact CD1-CG 4.06Å; P216-S218 PolarHBondContact O-N 3.38Å; P216-S218 VanDerWaalsContact O-N 3.08Å; P216-Q219 HydrophobicContact CB-CG 4.37Å; P216-Q219 CarbonylContact O-C 3.34Å; P216-Q219 WeakPolarHBondContact O-CA 3.4Å; P216-Q219 WeakPolarHBondContact O-CB 3.48Å; P216-Q219 PolarHBondContact O-N 3.18Å |
| 217 | A | 98 | Very high | 97.6 | Very high | 22 Ų | 22 | 34 Ų | 34 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -57.6 | -27.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F215 Q219 A220 I225 H230 R231 | F215-A217 PolarHBondContact O-N 2.83Å; A217-Q219 PolarHBondContact O-N 3.32Å; A217-A220 WeakPolarHBondContact O-CB 3.34Å; A217-A220 PolarHBondContact O-N 3.17Å; A217-I225 HydrophobicContact CB-CD1 4.21Å; A217-I225 HydrophobicContact CB-CG1 4.13Å; A217-I225 HydrophobicContact CB-CG2 4.34Å; A217-H230 WeakPolarHBondContact CB-O 3.42Å; A217-R231 WeakPolarHBondContact CB-O 3.39Å; A217-R231 PolarHBondContact N-O 3.07Å |
| 218 | S | 95.5 | Very high | 97.6 | Very high | 68 Ų | 68 | 34 Ų | 34 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -69.1 | -17.4 | 173.8 | 51 | 0 | 0 | 0 | 0 | 114 | D189 P216 | D189-S218 PolarHBondContact OD1-OG 3.5Å; D189-S218 WeakPolarHBondContact OD2-CB 3.37Å; D189-S218 PolarHBondContact OD2-OG 2.85Å; P216-S218 PolarHBondContact O-N 3.38Å; P216-S218 VanDerWaalsContact O-N 3.08Å |
| 219 | Q | 96.2 | Very high | 97.5 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -107.8 | 23.6 | 175.3 | -54.1 | 179.2 | 22.6 | 0 | 0 | 111.5 | D189 P216 A217 S221 R235 | D189-Q219 HydrophobicContact CB-CG 4.2Å; D189-Q219 WeakPolarHBondContact OD1-CG 3.33Å; D189-Q219 PolarHBondContact OD1-NE2 3.37Å; P216-Q219 HydrophobicContact CB-CG 4.37Å; P216-Q219 CarbonylContact O-C 3.34Å; P216-Q219 WeakPolarHBondContact O-CA 3.4Å; P216-Q219 WeakPolarHBondContact O-CB 3.48Å; P216-Q219 PolarHBondContact O-N 3.18Å; A217-Q219 PolarHBondContact O-N 3.32Å; Q219-S221 PolarHBondContact O-N 3.08Å; Q219-R235 PolarHBondContact O-NH1 3.2Å |
| 220 | A | 95.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | trans | -63.5 | -23.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | A217 L222 A223 A233 R261 | A217-A220 WeakPolarHBondContact O-CB 3.34Å; A217-A220 PolarHBondContact O-N 3.17Å; A220-L222 PolarHBondContact O-N 2.92Å; A220-L222 VanDerWaalsContact O-N 3.12Å; A220-A223 HydrophobicContact CB-CB 4.42Å; A220-A223 WeakPolarHBondContact O-CA 3.21Å; A220-A223 WeakPolarHBondContact O-CB 3.36Å; A220-A223 PolarHBondContact O-N 3.2Å; A220-A233 VanDerWaalsContact CA-CB 3.48Å; A220-A233 HydrophobicContact CB-CB 3.47Å; A220-A233 VanDerWaalsContact CB-CB 3.47Å; A220-R261 VanDerWaalsContact CB-NH1 3.31Å | ||
| 221 | S | 92.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -117.5 | -169.5 | -174.6 | 0 | 0 | 0 | 0 | 110 | Q219 R261 | Q219-S221 PolarHBondContact O-N 3.08Å; S221-R261 PolarHBondContact O-NH1 3.38Å |
| 222 | L | 96 | Very high | 97.5 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 13.2 | 174.8 | -70.6 | 82.4 | 0 | 0 | 0 | 113.5 | E78 Y79 A220 F249 L252 F262 | E78-L222 WeakPolarHBondContact OE1-CD2 3.23Å; Y79-L222 HydrophobicContact CE1-CD2 3.84Å; A220-L222 PolarHBondContact O-N 2.92Å; A220-L222 VanDerWaalsContact O-N 3.12Å; L222-F249 HydrophobicContact CB-CE2 3.93Å; L222-F249 HydrophobicContact CB-CZ 4.3Å; L222-L252 WeakPolarHBondContact O-CB 3.39Å; L222-L252 PolarHBondContact O-N 3.05Å; L222-F262 HydrophobicContact CD1-CE1 4.43Å; L222-F262 HydrophobicContact CD2-CE1 4.16Å; L222-F262 HydrophobicContact CD2-CZ 4.02Å; L222-F262 HydrophobicContact CG-CE1 4.39Å |
| 223 | A | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 154.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | A220 A233 R235 F249 H250 R261 | A220-A223 HydrophobicContact CB-CB 4.42Å; A220-A223 WeakPolarHBondContact O-CA 3.21Å; A220-A223 WeakPolarHBondContact O-CB 3.36Å; A220-A223 PolarHBondContact O-N 3.2Å; A223-A233 HydrophobicContact CB-CB 4.4Å; A223-R235 HydrophobicContact CB-CB 4.1Å; A223-F249 HydrophobicContact CB-CB 3.37Å; A223-F249 HydrophobicContact CB-CD2 4.09Å; A223-F249 HydrophobicContact CB-CG 3.79Å; A223-H250 CarbonylContact C-O 3.59Å; A223-H250 VanDerWaalsContact CA-O 3.31Å; A223-H250 WeakPolarHBondContact CA-O 3.42Å; A223-R261 PolarHBondContact O-NH1 2.85Å; A223-R261 PolarHBondContact O-NH2 3.16Å |
| 224 | Q | 98.1 | Very high | 97.4 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 17% | 0.173 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 150.6 | 165.6 | -65.4 | -172.7 | 27.7 | 0 | 0 | 111.5 | A233 E234 H250 E251 | Q224-A233 CarbonylContact O-C 3.56Å; Q224-A233 WeakPolarHBondContact O-CA 3.24Å; Q224-E234 PolarHBondContact O-N 2.86Å; Q224-H250 PolarHBondContact N-O 3.1Å; Q224-H250 PolarHBondContact NE2-CE1 3.37Å; Q224-H250 VanDerWaalsContact NE2-CE1 3.33Å; Q224-H250 PolarHBondContact NE2-NE2 2.95Å; Q224-H250 PolarHBondContact OE1-CE1 3.49Å; Q224-E251 VanDerWaalsContact CG-O 3.31Å; Q224-E251 WeakPolarHBondContact CG-O 3.11Å; Q224-E251 PolarHBondContact NE2-O 3.03Å |
| 225 | I | 98.4 | Very high | 97.4 | Very high | 65 Ų | 65 | 44 Ų | 44 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -82.7 | 137.2 | 165.3 | -67 | 175.1 | 0 | 0 | 0 | 107.6 | A217 T227 H230 | A217-I225 HydrophobicContact CB-CD1 4.21Å; A217-I225 HydrophobicContact CB-CG1 4.13Å; A217-I225 HydrophobicContact CB-CG2 4.34Å; I225-T227 PolarHBondContact O-N 3.45Å; I225-H230 HydrophobicContact CG2-CB 4.24Å; I225-H230 WeakPolarHBondContact CG2-O 3.36Å |
| 226 | S | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 136.6 | -179.4 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | E228 D229 V232 | S226-E228 VanDerWaalsContact C-N 3.26Å; S226-E228 PolarHBondContact O-N 3.34Å; S226-E228 PolarHBondContact OG-N 3.12Å; S226-D229 WeakPolarHBondContact CB-O 3.13Å; S226-D229 PolarHBondContact OG-N 2.82Å; S226-V232 PolarHBondContact N-O 3.07Å |
| 227 | T | 96.9 | Very high | 97.5 | Very high | 130 Ų | 130 | 44 Ų | 44 | 80% | 0.798 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -74.7 | -17.9 | 174.9 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | I225 | I225-T227 PolarHBondContact O-N 3.45Š|
| 228 | E | 97.6 | Very high | 97.5 | Very high | 166 Ų | 166 | 43 Ų | 43 | 78% | 0.776 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -92.2 | -42.8 | -176.1 | -63.3 | 164.5 | 173.9 | 0 | 0 | 111.3 | S226 | S226-E228 VanDerWaalsContact C-N 3.26Å; S226-E228 PolarHBondContact O-N 3.34Å; S226-E228 PolarHBondContact OG-N 3.12Å |
| 229 | D | 98.1 | Very high | 97.7 | Very high | 41 Ų | 41 | 40 Ų | 40 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | trans | -133.8 | 100.5 | 172.5 | -175 | -6.3 | 0 | 0 | 0 | 110.2 | S226 R231 V232 | S226-D229 WeakPolarHBondContact CB-O 3.13Å; S226-D229 PolarHBondContact OG-N 2.82Å; D229-R231 PolarHBondContact O-N 3.05Å; D229-R231 VanDerWaalsContact OD1-CB 3.24Å; D229-R231 WeakPolarHBondContact OD1-CB 3.42Å; D229-R231 VanDerWaalsContact OD1-CG 3.3Å; D229-R231 WeakPolarHBondContact OD1-CG 3.28Å; D229-R231 IonicContact OD1-CZ 2.77Å; D229-R231 PolarHBondContact OD1-N 2.82Å; D229-R231 IonicContact OD1-NE 3.74Å; D229-R231 PolarHBondContact OD1-NE 3.25Å; D229-R231 IonicContact OD1-NH2 3.87Å; D229-R231 IonicContact OD2-CZ 3.78Å; D229-R231 IonicContact OD2-NE 2.9Å; D229-R231 PolarHBondContact OD2-NE 2.87Å; D229-R231 IonicContact OD2-NH2 3.78Å; D229-R231 PolarHBondContact OD2-NH2 2.76Å; D229-V232 HydrophobicContact CB-CG2 4.23Å; D229-V232 WeakPolarHBondContact O-CG2 3.46Å; D229-V232 PolarHBondContact O-N 3.26Å | ||
| 230 | H | 97.9 | Very high | 97.8 | Very high | 144 Ų | 144 | 40.2 Ų | 40.2 | 67% | 0.667 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -3.3 | -177.6 | 71.6 | 77.3 | 0 | 0 | 0 | 114.4 | A217 I225 V232 | A217-H230 WeakPolarHBondContact CB-O 3.42Å; I225-H230 HydrophobicContact CG2-CB 4.24Å; I225-H230 WeakPolarHBondContact CG2-O 3.36Å; H230-V232 VanDerWaalsContact C-N 3.34Å |
| 231 | R | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 45.4 Ų | 45.4 | 37% | 0.366 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -12 | 174.7 | -56.5 | 175 | -62.5 | 159 | 3.3 | 112.4 | A217 D229 | A217-R231 WeakPolarHBondContact CB-O 3.39Å; A217-R231 PolarHBondContact N-O 3.07Å; D229-R231 PolarHBondContact O-N 3.05Å; D229-R231 VanDerWaalsContact OD1-CB 3.24Å; D229-R231 WeakPolarHBondContact OD1-CB 3.42Å; D229-R231 VanDerWaalsContact OD1-CG 3.3Å; D229-R231 WeakPolarHBondContact OD1-CG 3.28Å; D229-R231 IonicContact OD1-CZ 2.77Å; D229-R231 PolarHBondContact OD1-N 2.82Å; D229-R231 IonicContact OD1-NE 3.74Å; D229-R231 PolarHBondContact OD1-NE 3.25Å; D229-R231 IonicContact OD1-NH2 3.87Å; D229-R231 IonicContact OD2-CZ 3.78Å; D229-R231 IonicContact OD2-NE 2.9Å; D229-R231 PolarHBondContact OD2-NE 2.87Å; D229-R231 IonicContact OD2-NH2 3.78Å; D229-R231 PolarHBondContact OD2-NH2 2.76Å |
| 232 | V | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -118.9 | 154.5 | 179.2 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | L162 H214 F215 S226 D229 H230 | L162-V232 HydrophobicContact CD1-CG1 3.73Å; L162-V232 HydrophobicContact CD2-CG1 3.9Å; L162-V232 HydrophobicContact CG-CG1 4.49Å; H214-V232 HydrophobicContact CB-CB 3.86Å; H214-V232 HydrophobicContact CB-CG1 4.14Å; H214-V232 HydrophobicContact CB-CG2 3.88Å; H214-V232 WeakPolarHBondContact O-CG1 3.47Å; F215-V232 CarbonylContact O-C 3.45Å; F215-V232 VanDerWaalsContact O-CA 3.23Å; F215-V232 WeakPolarHBondContact O-CA 3.31Å; F215-V232 WeakPolarHBondContact O-CB 3.38Å; S226-V232 PolarHBondContact N-O 3.07Å; D229-V232 HydrophobicContact CB-CG2 4.23Å; D229-V232 WeakPolarHBondContact O-CG2 3.46Å; D229-V232 PolarHBondContact O-N 3.26Å; H230-V232 VanDerWaalsContact C-N 3.34Å |
| 233 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -100.5 | 150.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H214 F215 A220 A223 Q224 R235 | H214-A233 VanDerWaalsContact CA-O 3.29Å; H214-A233 WeakPolarHBondContact CA-O 3.42Å; F215-A233 PolarHBondContact O-N 3.24Å; A220-A233 VanDerWaalsContact CA-CB 3.48Å; A220-A233 HydrophobicContact CB-CB 3.47Å; A220-A233 VanDerWaalsContact CB-CB 3.47Å; A223-A233 HydrophobicContact CB-CB 4.4Å; Q224-A233 CarbonylContact O-C 3.56Å; Q224-A233 WeakPolarHBondContact O-CA 3.24Å; A233-R235 HydrophobicContact CB-CB 4.38Å; A233-R235 PolarHBondContact O-N 3.06Å |
| 234 | E | 98.7 | Very high | 98 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -79 | 59.1 | 172.7 | -61.2 | -152.8 | 157.7 | 0 | 0 | 111 | M124 Q224 F249 H250 | M124-E234 HydrophobicContact SD-CB 4.26Å; Q224-E234 PolarHBondContact O-N 2.86Å; E234-F249 CarbonylContact O-C 3.58Å; E234-F249 WeakPolarHBondContact O-CA 3.46Å; E234-F249 WeakPolarHBondContact O-CB 3.37Å; E234-H250 HydrophobicContact CB-CB 3.65Å; E234-H250 PolarHBondContact O-N 3.3Å; E234-H250 VanDerWaalsContact OE2-CB 3.3Å; E234-H250 WeakPolarHBondContact OE2-CB 3.3Å; E234-H250 IonicContact OE2-CE1 3.77Å; E234-H250 IonicContact OE2-CG 2.67Å; E234-H250 VanDerWaalsContact OE2-CG 3.31Å; E234-H250 IonicContact OE2-ND1 2.62Å; E234-H250 PolarHBondContact OE2-ND1 3.1Å |
| 235 | R | 98.7 | Very high | 98 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.1 | 178 | 174.4 | 178.9 | 168.4 | -142.4 | -2.1 | 110.1 | Y213 H214 F215 Q219 A223 A233 E237 N247 G248 F249 | Y213-R235 CarbonylContact C-O 3.58Å; Y213-R235 VanDerWaalsContact CA-O 3.32Å; Y213-R235 WeakPolarHBondContact CA-O 3.29Å; H214-R235 PolarHBondContact N-O 2.78Å; F215-R235 HydrophobicContact CD2-CG 4.24Å; Q219-R235 PolarHBondContact O-NH1 3.2Å; A223-R235 HydrophobicContact CB-CB 4.1Å; A233-R235 HydrophobicContact CB-CB 4.38Å; A233-R235 PolarHBondContact O-N 3.06Å; R235-E237 IonicContact CZ-OE1 3.31Å; R235-E237 IonicContact NE-OE1 3.99Å; R235-E237 IonicContact NH2-OE1 2.65Å; R235-E237 PolarHBondContact NH2-OE1 2.84Å; R235-N247 PolarHBondContact NE-OD1 2.82Å; R235-G248 CarbonylContact C-O 3.57Å; R235-G248 WeakPolarHBondContact CA-O 3.18Å; R235-F249 HydrophobicContact CB-CB 4.05Å; R235-F249 HydrophobicContact CG-CB 4.44Å; R235-F249 HydrophobicContact CG-CD1 4.23Å |
| 236 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.3 | 171.2 | 72.2 | -90.3 | 0 | 0 | 0 | 112 | M124 L127 M128 V131 F211 V212 N247 G248 V297 | M124-F236 HydrophobicContact CG-CD1 3.54Å; M124-F236 HydrophobicContact CG-CE1 4.18Å; M124-F236 HydrophobicContact SD-CB 4.38Å; M124-F236 HydrophobicContact SD-CD1 4.27Å; L127-F236 HydrophobicContact CD2-CE1 4.1Å; L127-F236 HydrophobicContact CD2-CZ 4.16Å; L127-F236 HydrophobicContact CG-CE1 4.32Å; L127-F236 HydrophobicContact CG-CZ 4.16Å; M128-F236 HydrophobicContact CG-CB 4.2Å; M128-F236 HydrophobicContact CG-CD1 3.54Å; M128-F236 HydrophobicContact CG-CD2 3.76Å; M128-F236 HydrophobicContact CG-CE1 3.72Å; M128-F236 HydrophobicContact CG-CE2 3.94Å; M128-F236 HydrophobicContact CG-CG 3.54Å; M128-F236 HydrophobicContact CG-CZ 3.9Å; M128-F236 HydrophobicContact SD-CB 3.96Å; M128-F236 HydrophobicContact SD-CD1 4.05Å; M128-F236 HydrophobicContact SD-CG 3.95Å; V131-F236 HydrophobicContact CG2-CE2 4.22Å; V131-F236 HydrophobicContact CG2-CZ 4.15Å; F211-F236 AromaticContact CD1-CD2 3.58Å; F211-F236 HydrophobicContact CD1-CD2 3.58Å; F211-F236 HydrophobicContact CD1-CE2 4.04Å; F211-F236 HydrophobicContact CD1-CG 4.38Å; F211-F236 AromaticContact CE1-CD2 3.75Å; F211-F236 HydrophobicContact CE1-CD2 3.75Å; F211-F236 AromaticContact CE1-CE2 3.69Å; F211-F236 HydrophobicContact CE1-CE2 3.69Å; V212-F236 CarbonylContact O-C 3.52Å; V212-F236 WeakPolarHBondContact O-CA 3.48Å; V212-F236 WeakPolarHBondContact O-CB 3.3Å; F236-N247 PolarHBondContact O-OD1 3.47Å; F236-G248 WeakPolarHBondContact CD1-O 3.4Å; F236-G248 PolarHBondContact N-O 3.35Å; F236-G248 PolarHBondContact O-N 3.08Å; F236-V297 HydrophobicContact CE2-CG2 4.08Å; F236-V297 HydrophobicContact CZ-CB 4.05Å; F236-V297 HydrophobicContact CZ-CG2 3.95Å |
| 237 | E | 98.8 | Very high | 98 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 155.6 | 168.3 | -68.4 | -178.7 | 158 | 0 | 0 | 109.1 | F211 V212 F215 R235 Y239 A246 N247 | F211-E237 CarbonylContact C-O 3.51Å; F211-E237 VanDerWaalsContact CA-O 3.3Å; F211-E237 WeakPolarHBondContact CA-O 3.43Å; V212-E237 PolarHBondContact N-O 3.2Å; V212-E237 PolarHBondContact O-N 3.47Å; F215-E237 HydrophobicContact CE2-CB 4.19Å; F215-E237 HydrophobicContact CE2-CG 4.02Å; F215-E237 HydrophobicContact CZ-CB 4.18Å; F215-E237 HydrophobicContact CZ-CG 3.97Å; F215-E237 WeakPolarHBondContact CZ-OE2 3.35Å; R235-E237 IonicContact CZ-OE1 3.31Å; R235-E237 IonicContact NE-OE1 3.99Å; R235-E237 IonicContact NH2-OE1 2.65Å; R235-E237 PolarHBondContact NH2-OE1 2.84Å; E237-Y239 HydrophobicContact CB-CD2 4.34Å; E237-Y239 HydrophobicContact CB-CE2 3.52Å; E237-Y239 PolarHBondContact OE2-OH 2.97Å; E237-A246 CarbonylContact C-O 3.57Å; E237-A246 VanDerWaalsContact CA-O 3.23Å; E237-A246 WeakPolarHBondContact CA-O 3.47Å; E237-N247 HydrophobicContact CG-CB 3.99Å |
| 238 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131 | 176.7 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | V131 L135 P209 T210 F211 L245 A246 | V131-V238 HydrophobicContact CG1-CG1 4.17Å; L135-V238 HydrophobicContact CD1-CG1 4.21Å; L135-V238 HydrophobicContact CD1-CG2 3.73Å; P209-V238 HydrophobicContact CB-CG2 4.04Å; T210-V238 WeakPolarHBondContact O-CA 3.21Å; F211-V238 HydrophobicContact CD1-CB 3.76Å; F211-V238 HydrophobicContact CD1-CG2 4.12Å; F211-V238 HydrophobicContact CD2-CB 4.45Å; F211-V238 HydrophobicContact CD2-CG2 3.89Å; F211-V238 HydrophobicContact CE1-CB 3.71Å; F211-V238 HydrophobicContact CE1-CG1 4.28Å; F211-V238 HydrophobicContact CE1-CG2 4.03Å; F211-V238 HydrophobicContact CE2-CB 4.4Å; F211-V238 HydrophobicContact CE2-CG2 3.8Å; F211-V238 HydrophobicContact CG-CB 4.14Å; F211-V238 HydrophobicContact CG-CG2 4.05Å; F211-V238 HydrophobicContact CZ-CB 4.04Å; F211-V238 HydrophobicContact CZ-CG2 3.87Å; V238-L245 HydrophobicContact CG1-CB 4.14Å; V238-L245 PolarHBondContact O-N 3.5Å; V238-A246 HydrophobicContact CG1-CB 3.76Å; V238-A246 PolarHBondContact N-O 2.76Å |
| 239 | Y | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.5 | -175 | -66.2 | -95.3 | 0 | 0 | 0 | 110.2 | F196 E201 I204 P209 T210 E237 I243 E244 | F196-Y239 HydrophobicContact CE1-CE2 4.04Å; F196-Y239 AromaticContact CE1-CZ 3.79Å; F196-Y239 WeakPolarHBondContact CE1-OH 3.18Å; F196-Y239 HydrophobicContact CZ-CE2 4.02Å; E201-Y239 HydrophobicContact CG-CD1 4.17Å; E201-Y239 HydrophobicContact CG-CE1 3.66Å; I204-Y239 HydrophobicContact CD1-CD2 3.75Å; I204-Y239 HydrophobicContact CD1-CE2 4.5Å; I204-Y239 HydrophobicContact CD1-CG 3.79Å; P209-Y239 CarbonylContact C-O 3.59Å; P209-Y239 WeakPolarHBondContact CA-O 3.37Å; T210-Y239 PolarHBondContact N-O 3.34Å; T210-Y239 PolarHBondContact O-N 3.38Å; E237-Y239 HydrophobicContact CB-CD2 4.34Å; E237-Y239 HydrophobicContact CB-CE2 3.52Å; E237-Y239 PolarHBondContact OE2-OH 2.97Å; Y239-I243 WeakPolarHBondContact CA-O 3.09Å; Y239-E244 HydrophobicContact CD1-CB 3.92Å; Y239-E244 HydrophobicContact CD1-CG 4.45Å; Y239-E244 HydrophobicContact CE1-CB 3.51Å; Y239-E244 HydrophobicContact CE1-CG 3.82Å |
| 240 | Y | 98.7 | Very high | 98.2 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 135.1 | 170.9 | -171.3 | -137.6 | 0 | 0 | 0 | 111.4 | L139 C141 G205 E207 K208 P209 G242 I243 L307 | L139-Y240 HydrophobicContact CD1-CD1 3.77Å; L139-Y240 HydrophobicContact CD1-CE1 4.13Å; C141-Y240 HydrophobicContact CB-CE1 4.39Å; G205-Y240 WeakPolarHBondContact O-CD2 3.3Å; E207-Y240 PolarHBondContact O-OH 3.39Å; K208-Y240 VanDerWaalsContact C-CE2 3.46Å; K208-Y240 VanDerWaalsContact CA-CE2 3.41Å; P209-Y240 HydrophobicContact CB-CD2 4.48Å; P209-Y240 HydrophobicContact CB-CG 4.39Å; P209-Y240 HydrophobicContact CG-CD1 4.25Å; P209-Y240 HydrophobicContact CG-CD2 4.07Å; P209-Y240 HydrophobicContact CG-CG 3.93Å; Y240-G242 PolarHBondContact O-N 3.42Å; Y240-I243 PolarHBondContact N-O 3.46Å; Y240-I243 PolarHBondContact O-N 3.13Å; Y240-L307 HydrophobicContact CD1-CD1 3.8Å; Y240-L307 HydrophobicContact CG-CD1 4.33Å |
| 241 | K | 97.4 | Very high | 98.2 | Very high | 111 Ų | 111 | 23.5 Ų | 23.5 | 48% | 0.483 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 42.5 | -176.8 | -64.6 | 176 | 175 | 172 | 0 | 113 | G205 I243 L307 | G205-K241 PolarHBondContact O-N 2.94Å; K241-I243 VanDerWaalsContact C-N 3.29Å; K241-I243 PolarHBondContact O-N 3.3Å; K241-L307 HydrophobicContact CB-CD2 3.91Å; K241-L307 HydrophobicContact CD-CD2 4.04Å |
| 242 | G | 93.9 | Very high | 98.2 | Very high | 44 Ų | 44 | 19.1 Ų | 19.1 | 45% | 0.454 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 17.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y240 | Y240-G242 PolarHBondContact O-N 3.42Š|
| 243 | I | 96.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.6 | 180 | -66.4 | 145.9 | 0 | 0 | 0 | 109.3 | Y107 Y239 Y240 K241 L245 R303 M306 L307 | Y107-I243 HydrophobicContact CD1-CD1 4.47Å; Y107-I243 HydrophobicContact CD1-CG1 4.18Å; Y107-I243 HydrophobicContact CE1-CD1 3.98Å; Y107-I243 HydrophobicContact CE1-CG1 3.9Å; Y107-I243 HydrophobicContact CE2-CG1 4.37Å; Y239-I243 WeakPolarHBondContact CA-O 3.09Å; Y240-I243 PolarHBondContact N-O 3.46Å; Y240-I243 PolarHBondContact O-N 3.13Å; K241-I243 VanDerWaalsContact C-N 3.29Å; K241-I243 PolarHBondContact O-N 3.3Å; I243-L245 HydrophobicContact CG2-CD2 4.21Å; I243-L245 PolarHBondContact O-N 3.45Å; I243-R303 HydrophobicContact CG2-CB 3.87Å; I243-R303 HydrophobicContact CG2-CG 4.03Å; I243-M306 HydrophobicContact CD1-CE 3.22Å; I243-M306 HydrophobicContact CG1-CE 4.1Å; I243-L307 HydrophobicContact CD1-CD2 3.44Å; I243-L307 VanDerWaalsContact CD1-CD2 3.44Å; I243-L307 HydrophobicContact CD1-CG 4.09Å |
| 244 | E | 97.9 | Very high | 98.2 | Very high | 63 Ų | 63 | 23.8 Ų | 23.8 | 29% | 0.294 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 117.6 | 166.3 | -172.9 | -152.3 | 145.3 | 0 | 0 | 109.2 | Y239 R303 | Y239-E244 HydrophobicContact CD1-CB 3.92Å; Y239-E244 HydrophobicContact CD1-CG 4.45Å; Y239-E244 HydrophobicContact CE1-CB 3.51Å; Y239-E244 HydrophobicContact CE1-CG 3.82Å; E244-R303 WeakPolarHBondContact O-CD 3.25Å; E244-R303 PolarHBondContact O-NH1 2.92Å; E244-R303 IonicContact OE2-NH1 3.26Å |
| 245 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -40.5 | -178.1 | -71 | 177.6 | 0 | 0 | 0 | 112.8 | L135 L139 V238 I243 L299 G300 R303 L307 | L135-L245 HydrophobicContact CD2-CD1 3.95Å; L139-L245 HydrophobicContact CD1-CD1 4.35Å; V238-L245 HydrophobicContact CG1-CB 4.14Å; V238-L245 PolarHBondContact O-N 3.5Å; I243-L245 HydrophobicContact CG2-CD2 4.21Å; I243-L245 PolarHBondContact O-N 3.45Å; L245-L299 CarbonylContact O-C 3.5Å; L245-L299 WeakPolarHBondContact O-CA 3.45Å; L245-G300 PolarHBondContact O-N 3.07Å; L245-R303 HydrophobicContact CD2-CB 3.87Å; L245-L307 HydrophobicContact CD1-CD1 3.96Å; L245-L307 HydrophobicContact CD2-CD1 3.78Å; L245-L307 HydrophobicContact CG-CD1 4.19Å |
| 246 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 154.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E237 V238 V297 A298 L299 | E237-A246 CarbonylContact C-O 3.57Å; E237-A246 VanDerWaalsContact CA-O 3.23Å; E237-A246 WeakPolarHBondContact CA-O 3.47Å; V238-A246 HydrophobicContact CG1-CB 3.76Å; V238-A246 PolarHBondContact N-O 2.76Å; A246-V297 HydrophobicContact CB-CG2 3.85Å; A246-A298 CarbonylContact C-O 3.44Å; A246-A298 WeakPolarHBondContact CA-O 3.39Å; A246-A298 VanDerWaalsContact CB-O 3.31Å; A246-A298 WeakPolarHBondContact CB-O 3.33Å; A246-L299 HydrophobicContact CB-CB 3.73Å; A246-L299 HydrophobicContact CB-CD1 4.2Å; A246-L299 HydrophobicContact CB-CG 4.05Å |
| 247 | N | 98.5 | Very high | 98.1 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 20% | 0.198 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.4 | 172.1 | 176.8 | 25 | 0 | 0 | 0 | 108.4 | R235 F236 E237 A298 | R235-N247 PolarHBondContact NE-OD1 2.82Å; F236-N247 PolarHBondContact O-OD1 3.47Å; E237-N247 HydrophobicContact CG-CB 3.99Å; N247-A298 PolarHBondContact N-O 3.33Å; N247-A298 PolarHBondContact O-N 3.46Å |
| 248 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 163.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R235 F236 G296 | R235-G248 CarbonylContact C-O 3.57Å; R235-G248 WeakPolarHBondContact CA-O 3.18Å; F236-G248 WeakPolarHBondContact CD1-O 3.4Å; F236-G248 PolarHBondContact N-O 3.35Å; F236-G248 PolarHBondContact O-N 3.08Å; G248-G296 CarbonylContact C-O 3.5Å; G248-G296 WeakPolarHBondContact CA-O 3.49Å |
| 249 | F | 98.5 | Very high | 98 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 164 | -173.3 | 31.8 | -90.5 | 0 | 0 | 0 | 113 | L222 A223 E234 R235 E251 S295 G296 | L222-F249 HydrophobicContact CB-CE2 3.93Å; L222-F249 HydrophobicContact CB-CZ 4.3Å; A223-F249 HydrophobicContact CB-CB 3.37Å; A223-F249 HydrophobicContact CB-CD2 4.09Å; A223-F249 HydrophobicContact CB-CG 3.79Å; E234-F249 CarbonylContact O-C 3.58Å; E234-F249 WeakPolarHBondContact O-CA 3.46Å; E234-F249 WeakPolarHBondContact O-CB 3.37Å; R235-F249 HydrophobicContact CB-CB 4.05Å; R235-F249 HydrophobicContact CG-CB 4.44Å; R235-F249 HydrophobicContact CG-CD1 4.23Å; F249-E251 WeakPolarHBondContact CD2-OE1 3.47Å; F249-E251 WeakPolarHBondContact CD2-OE2 3.31Å; F249-E251 WeakPolarHBondContact CE2-OE1 3.23Å; F249-E251 WeakPolarHBondContact CE2-OE2 3.16Å; F249-S295 CarbonylContact O-C 3.41Å; F249-S295 WeakPolarHBondContact O-CA 3.48Å; F249-S295 VanDerWaalsContact O-CB 3.29Å; F249-S295 WeakPolarHBondContact O-CB 3.3Å; F249-G296 PolarHBondContact N-O 3.38Å; F249-G296 PolarHBondContact O-N 2.8Å |
| 250 | H | 98.7 | Very high | 98 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118.9 | 161.1 | -174.6 | -163.6 | 0 | 0 | 0 | 109.3 | M124 A223 Q224 E234 D293 C294 S295 | M124-H250 HydrophobicContact CB-CB 4.47Å; A223-H250 CarbonylContact C-O 3.59Å; A223-H250 VanDerWaalsContact CA-O 3.31Å; A223-H250 WeakPolarHBondContact CA-O 3.42Å; Q224-H250 PolarHBondContact N-O 3.1Å; Q224-H250 PolarHBondContact NE2-CE1 3.37Å; Q224-H250 VanDerWaalsContact NE2-CE1 3.33Å; Q224-H250 PolarHBondContact NE2-NE2 2.95Å; Q224-H250 PolarHBondContact OE1-CE1 3.49Å; E234-H250 HydrophobicContact CB-CB 3.65Å; E234-H250 PolarHBondContact O-N 3.3Å; E234-H250 VanDerWaalsContact OE2-CB 3.3Å; E234-H250 WeakPolarHBondContact OE2-CB 3.3Å; E234-H250 IonicContact OE2-CE1 3.77Å; E234-H250 IonicContact OE2-CG 2.67Å; E234-H250 VanDerWaalsContact OE2-CG 3.31Å; E234-H250 IonicContact OE2-ND1 2.62Å; E234-H250 PolarHBondContact OE2-ND1 3.1Å; H250-D293 IonicContact CE1-OD2 2.7Å; H250-D293 PolarHBondContact CE1-OD2 3Å; H250-D293 IonicContact NE2-OD1 3.81Å; H250-D293 PolarHBondContact NE2-OD1 2.75Å; H250-D293 IonicContact NE2-OD2 3.38Å; H250-D293 PolarHBondContact NE2-OD2 2.75Å; H250-C294 PolarHBondContact CD2-O 3.43Å; H250-C294 VanDerWaalsContact CD2-O 3.24Å; H250-S295 WeakPolarHBondContact CA-OG 3Å |
| 251 | E | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 134.4 | -164.7 | -60.9 | -58.3 | 158.3 | 0 | 0 | 113.6 | K82 Y118 Q224 F249 T253 M291 C294 G296 | K82-E251 WeakPolarHBondContact CE-OE2 3.42Å; K82-E251 IonicContact NZ-OE2 3.71Å; K82-E251 PolarHBondContact NZ-OE2 3.23Å; Y118-E251 HydrophobicContact CD1-CG 4.18Å; Y118-E251 HydrophobicContact CE1-CG 4.19Å; Y118-E251 VanDerWaalsContact CE1-OE1 3.32Å; Y118-E251 WeakPolarHBondContact CE1-OE1 3.42Å; Q224-E251 VanDerWaalsContact CG-O 3.31Å; Q224-E251 WeakPolarHBondContact CG-O 3.11Å; Q224-E251 PolarHBondContact NE2-O 3.03Å; F249-E251 WeakPolarHBondContact CD2-OE1 3.47Å; F249-E251 WeakPolarHBondContact CD2-OE2 3.31Å; F249-E251 WeakPolarHBondContact CE2-OE1 3.23Å; F249-E251 WeakPolarHBondContact CE2-OE2 3.16Å; E251-T253 PolarHBondContact O-N 2.89Å; E251-M291 HydrophobicContact CB-CE 3.75Å; E251-C294 VanDerWaalsContact CB-O 3.24Å; E251-C294 WeakPolarHBondContact CB-O 3.4Å; E251-C294 VanDerWaalsContact CG-O 3.23Å; E251-C294 WeakPolarHBondContact CG-O 3.38Å; E251-C294 PolarHBondContact N-O 2.84Å; E251-G296 WeakPolarHBondContact OE1-CA 3.35Å; E251-G296 PolarHBondContact OE1-N 3.49Å |
| 252 | L | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -66 | 123.2 | 169.2 | -179.6 | 62.8 | 0 | 0 | 0 | 110.6 | L222 D254 E257 Q258 M291 | L222-L252 WeakPolarHBondContact O-CB 3.39Å; L222-L252 PolarHBondContact O-N 3.05Å; L252-D254 HydrophobicContact CD1-CB 4.47Å; L252-E257 HydrophobicContact CD1-CB 4.35Å; L252-E257 HydrophobicContact CD1-CG 4.34Å; L252-E257 HydrophobicContact CD2-CB 4.2Å; L252-E257 HydrophobicContact CD2-CG 4.02Å; L252-Q258 HydrophobicContact CD2-CB 3.88Å; L252-M291 WeakPolarHBondContact O-CE 3.39Å |
| 253 | T | 97.5 | Very high | 98.2 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | trans | -104.9 | -19 | -179.5 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | E251 A255 M291 | E251-T253 PolarHBondContact O-N 2.89Å; T253-A255 PolarHBondContact O-N 3.2Å; T253-M291 HydrophobicContact CG2-CE 4Å | ||
| 254 | D | 98.2 | Very high | 98.3 | Very high | 55 Ų | 55 | 41.6 Ų | 41.6 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | trans | -76 | 110.2 | 177.5 | -172.6 | -50.2 | 0 | 0 | 0 | 110.7 | L252 R256 E257 Q258 | L252-D254 HydrophobicContact CD1-CB 4.47Å; D254-R256 VanDerWaalsContact C-N 3.29Å; D254-R256 PolarHBondContact O-N 3.15Å; D254-R256 WeakPolarHBondContact OD1-CA 3.49Å; D254-R256 VanDerWaalsContact OD1-CB 3.27Å; D254-R256 WeakPolarHBondContact OD1-CB 3.32Å; D254-R256 PolarHBondContact OD1-N 2.7Å; D254-R256 IonicContact OD1-NE 3.28Å; D254-R256 IonicContact OD2-CZ 3.66Å; D254-R256 IonicContact OD2-NE 3.37Å; D254-R256 IonicContact OD2-NH2 2.69Å; D254-R256 PolarHBondContact OD2-NH2 2.9Å; D254-E257 HydrophobicContact CB-CB 4.08Å; D254-E257 PolarHBondContact O-N 3.27Å; D254-E257 PolarHBondContact OD1-N 2.99Å; D254-Q258 WeakPolarHBondContact O-CB 3.17Å; D254-Q258 PolarHBondContact O-N 2.9Å | ||
| 255 | A | 98.4 | Very high | 98.2 | Very high | 10 Ų | 10 | 40 Ų | 40 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.3 | -33.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T253 Q259 L287 K288 | T253-A255 PolarHBondContact O-N 3.2Å; A255-Q259 WeakPolarHBondContact O-CB 3.43Å; A255-Q259 PolarHBondContact O-N 3.28Å; A255-L287 HydrophobicContact CB-CB 3.54Å; A255-K288 HydrophobicContact CB-CB 4.5Å; A255-K288 HydrophobicContact CB-CG 3.75Å |
| 256 | R | 98.4 | Very high | 98.2 | Very high | 178 Ų | 178 | 40.7 Ų | 40.7 | 67% | 0.672 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -72.9 | -43.6 | -179.5 | -59.2 | 172.6 | -63.4 | 170.3 | 3.3 | 109.9 | D254 Q259 Q260 | D254-R256 VanDerWaalsContact C-N 3.29Å; D254-R256 PolarHBondContact O-N 3.15Å; D254-R256 WeakPolarHBondContact OD1-CA 3.49Å; D254-R256 VanDerWaalsContact OD1-CB 3.27Å; D254-R256 WeakPolarHBondContact OD1-CB 3.32Å; D254-R256 PolarHBondContact OD1-N 2.7Å; D254-R256 IonicContact OD1-NE 3.28Å; D254-R256 IonicContact OD2-CZ 3.66Å; D254-R256 IonicContact OD2-NE 3.37Å; D254-R256 IonicContact OD2-NH2 2.69Å; D254-R256 PolarHBondContact OD2-NH2 2.9Å; R256-Q259 PolarHBondContact O-N 2.88Å; R256-Q260 VanDerWaalsContact O-CG 3.3Å; R256-Q260 WeakPolarHBondContact O-CG 2.98Å; R256-Q260 PolarHBondContact O-N 2.89Å |
| 257 | E | 98.1 | Very high | 98.2 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 29% | 0.29 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.1 | -172.4 | 178.8 | 155 | 0 | 0 | 110.6 | L252 D254 Q259 Q260 R261 | L252-E257 HydrophobicContact CD1-CB 4.35Å; L252-E257 HydrophobicContact CD1-CG 4.34Å; L252-E257 HydrophobicContact CD2-CB 4.2Å; L252-E257 HydrophobicContact CD2-CG 4.02Å; D254-E257 HydrophobicContact CB-CB 4.08Å; D254-E257 PolarHBondContact O-N 3.27Å; D254-E257 PolarHBondContact OD1-N 2.99Å; E257-Q259 VanDerWaalsContact C-N 3.31Å; E257-Q259 PolarHBondContact O-N 3.37Å; E257-Q260 WeakPolarHBondContact O-CB 3.19Å; E257-Q260 PolarHBondContact O-N 3.15Å; E257-Q260 VanDerWaalsContact O-N 3.13Å; E257-R261 WeakPolarHBondContact O-CG 3.33Å; E257-R261 PolarHBondContact O-N 2.82Å; E257-R261 IonicContact OE1-CZ 3.71Å; E257-R261 IonicContact OE1-NE 3.49Å; E257-R261 PolarHBondContact OE1-NE 3.39Å; E257-R261 IonicContact OE1-NH2 3.46Å; E257-R261 PolarHBondContact OE1-NH2 2.83Å |
| 258 | Q | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 178 | -173.8 | 62.7 | 80.7 | 0 | 0 | 112 | L252 D254 R261 F262 I284 L287 | L252-Q258 HydrophobicContact CD2-CB 3.88Å; D254-Q258 WeakPolarHBondContact O-CB 3.17Å; D254-Q258 PolarHBondContact O-N 2.9Å; Q258-R261 PolarHBondContact O-N 3.25Å; Q258-F262 HydrophobicContact CG-CD2 4.34Å; Q258-F262 HydrophobicContact CG-CE2 3.71Å; Q258-F262 HydrophobicContact CG-CZ 3.82Å; Q258-F262 VanDerWaalsContact NE2-CZ 3.34Å; Q258-F262 WeakPolarHBondContact O-CD2 3.36Å; Q258-F262 WeakPolarHBondContact O-CG 3.42Å; Q258-F262 PolarHBondContact O-N 2.69Å; Q258-F262 VanDerWaalsContact O-N 3.16Å; Q258-I284 HydrophobicContact CB-CD1 4.38Å; Q258-I284 HydrophobicContact CG-CD1 4.16Å; Q258-L287 HydrophobicContact CB-CD1 3.82Å; Q258-L287 HydrophobicContact CG-CD1 3.67Å |
| 259 | Q | 98.3 | Very high | 97.9 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.7 | -174.8 | -179.1 | -32.1 | 0 | 0 | 111.7 | A255 R256 E257 R261 F262 E263 I279 I284 | A255-Q259 WeakPolarHBondContact O-CB 3.43Å; A255-Q259 PolarHBondContact O-N 3.28Å; R256-Q259 PolarHBondContact O-N 2.88Å; E257-Q259 VanDerWaalsContact C-N 3.31Å; E257-Q259 PolarHBondContact O-N 3.37Å; Q259-R261 VanDerWaalsContact C-N 3.31Å; Q259-R261 PolarHBondContact O-N 3.35Å; Q259-F262 PolarHBondContact O-N 2.8Å; Q259-E263 PolarHBondContact NE2-OE1 2.86Å; Q259-E263 WeakPolarHBondContact O-CG 3.46Å; Q259-E263 PolarHBondContact O-N 2.76Å; Q259-I279 HydrophobicContact CG-CD1 4.47Å; Q259-I284 HydrophobicContact CB-CD1 3.99Å |
| 260 | Q | 98.1 | Very high | 97.9 | Very high | 121 Ų | 121 | 51.1 Ų | 51.1 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.6 | -37.2 | 178.4 | -73.3 | 172.7 | -14.4 | 0 | 0 | 112.6 | R256 E257 E263 Q264 | R256-Q260 VanDerWaalsContact O-CG 3.3Å; R256-Q260 WeakPolarHBondContact O-CG 2.98Å; R256-Q260 PolarHBondContact O-N 2.89Å; E257-Q260 WeakPolarHBondContact O-CB 3.19Å; E257-Q260 PolarHBondContact O-N 3.15Å; E257-Q260 VanDerWaalsContact O-N 3.13Å; Q260-E263 PolarHBondContact O-N 2.85Å; Q260-Q264 WeakPolarHBondContact O-CB 3.49Å; Q260-Q264 PolarHBondContact O-N 3.43Å |
| 261 | R | 97.9 | Very high | 97.8 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 174.7 | -69.1 | -175.3 | -175.6 | -165.7 | 8.2 | 111.3 | A220 S221 A223 E257 Q258 Q259 E263 Q264 D265 | A220-R261 VanDerWaalsContact CB-NH1 3.31Å; S221-R261 PolarHBondContact O-NH1 3.38Å; A223-R261 PolarHBondContact O-NH1 2.85Å; A223-R261 PolarHBondContact O-NH2 3.16Å; E257-R261 WeakPolarHBondContact O-CG 3.33Å; E257-R261 PolarHBondContact O-N 2.82Å; E257-R261 IonicContact OE1-CZ 3.71Å; E257-R261 IonicContact OE1-NE 3.49Å; E257-R261 PolarHBondContact OE1-NE 3.39Å; E257-R261 IonicContact OE1-NH2 3.46Å; E257-R261 PolarHBondContact OE1-NH2 2.83Å; Q258-R261 PolarHBondContact O-N 3.25Å; Q259-R261 VanDerWaalsContact C-N 3.31Å; Q259-R261 PolarHBondContact O-N 3.35Å; R261-E263 VanDerWaalsContact C-N 3.35Å; R261-E263 PolarHBondContact O-N 2.63Å; R261-Q264 CarbonylContact O-C 3.47Å; R261-Q264 WeakPolarHBondContact O-CA 3.42Å; R261-Q264 WeakPolarHBondContact O-CB 3.41Å; R261-Q264 PolarHBondContact O-N 2.98Å; R261-D265 PolarHBondContact O-N 3.07Å |
| 262 | F | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 175.5 | -62.6 | -30.4 | 0 | 0 | 0 | 113.4 | T49 Y79 L222 Q258 Q259 Q264 D265 N266 I279 L283 I284 | T49-F262 HydrophobicContact CG2-CB 4.13Å; T49-F262 WeakPolarHBondContact OG1-CD1 3.28Å; Y79-F262 HydrophobicContact CE1-CZ 4.24Å; Y79-F262 HydrophobicContact CE2-CZ 4.49Å; Y79-F262 AromaticContact CZ-CZ 3.76Å; Y79-F262 WeakPolarHBondContact OH-CE1 3.37Å; Y79-F262 WeakPolarHBondContact OH-CZ 3.33Å; L222-F262 HydrophobicContact CD1-CE1 4.43Å; L222-F262 HydrophobicContact CD2-CE1 4.16Å; L222-F262 HydrophobicContact CD2-CZ 4.02Å; L222-F262 HydrophobicContact CG-CE1 4.39Å; Q258-F262 HydrophobicContact CG-CD2 4.34Å; Q258-F262 HydrophobicContact CG-CE2 3.71Å; Q258-F262 HydrophobicContact CG-CZ 3.82Å; Q258-F262 VanDerWaalsContact NE2-CZ 3.34Å; Q258-F262 WeakPolarHBondContact O-CD2 3.36Å; Q258-F262 WeakPolarHBondContact O-CG 3.42Å; Q258-F262 PolarHBondContact O-N 2.69Å; Q258-F262 VanDerWaalsContact O-N 3.16Å; Q259-F262 PolarHBondContact O-N 2.8Å; F262-Q264 VanDerWaalsContact C-N 3.3Å; F262-Q264 PolarHBondContact O-N 3.36Å; F262-D265 PolarHBondContact O-N 2.97Å; F262-N266 PolarHBondContact O-N 3.49Å; F262-N266 VanDerWaalsContact O-N 3.09Å; F262-I279 HydrophobicContact CB-CD1 3.75Å; F262-I279 HydrophobicContact CB-CG1 3.83Å; F262-I279 HydrophobicContact CB-CG2 4.46Å; F262-I279 HydrophobicContact CD2-CG2 3.7Å; F262-I279 HydrophobicContact CE2-CG2 4.4Å; F262-L283 HydrophobicContact CE2-CD2 3.88Å; F262-L283 HydrophobicContact CZ-CD2 3.75Å; F262-I284 HydrophobicContact CD2-CD1 4.01Å; F262-I284 HydrophobicContact CE2-CD1 3.87Å |
| 263 | E | 98.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 63 Ų | 63 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 172.6 | -69.6 | 170.6 | -173.9 | 0 | 0 | 111.8 | Q259 Q260 R261 R267 I279 | Q259-E263 PolarHBondContact NE2-OE1 2.86Å; Q259-E263 WeakPolarHBondContact O-CG 3.46Å; Q259-E263 PolarHBondContact O-N 2.76Å; Q260-E263 PolarHBondContact O-N 2.85Å; R261-E263 VanDerWaalsContact C-N 3.35Å; R261-E263 PolarHBondContact O-N 2.63Å; E263-R267 WeakPolarHBondContact O-CG 3.46Å; E263-R267 PolarHBondContact O-N 3.09Å; E263-R267 PolarHBondContact O-NE 3.13Å; E263-I279 HydrophobicContact CG-CD1 3.79Å |
| 264 | Q | 97 | Very high | 97.3 | Very high | 93 Ų | 93 | 63.9 Ų | 63.9 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 173.1 | -171.9 | 180 | 23.6 | 0 | 0 | 112 | Q260 R261 F262 N266 R267 K268 | Q260-Q264 WeakPolarHBondContact O-CB 3.49Å; Q260-Q264 PolarHBondContact O-N 3.43Å; R261-Q264 CarbonylContact O-C 3.47Å; R261-Q264 WeakPolarHBondContact O-CA 3.42Å; R261-Q264 WeakPolarHBondContact O-CB 3.41Å; R261-Q264 PolarHBondContact O-N 2.98Å; F262-Q264 VanDerWaalsContact C-N 3.3Å; F262-Q264 PolarHBondContact O-N 3.36Å; Q264-N266 PolarHBondContact O-N 2.8Å; Q264-R267 WeakPolarHBondContact O-CB 3.09Å; Q264-R267 PolarHBondContact O-N 2.98Å; Q264-K268 PolarHBondContact O-N 2.77Å |
| 265 | D | 97.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 17% | 0.166 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 175.8 | -70.7 | -18.8 | 0 | 0 | 0 | 111.2 | T49 I51 R261 F262 R267 K268 R269 | T49-D265 WeakPolarHBondContact O-CB 3.31Å; T49-D265 PolarHBondContact OG1-OD2 3.37Å; I51-D265 HydrophobicContact CG1-CB 4.25Å; R261-D265 PolarHBondContact O-N 3.07Å; F262-D265 PolarHBondContact O-N 2.97Å; D265-R267 VanDerWaalsContact C-N 3.29Å; D265-R267 PolarHBondContact O-N 3.31Å; D265-K268 CarbonylContact O-C 3.57Å; D265-K268 WeakPolarHBondContact O-CA 3.44Å; D265-K268 WeakPolarHBondContact O-CB 3.5Å; D265-K268 PolarHBondContact O-N 3.01Å; D265-R269 WeakPolarHBondContact O-CG 3.47Å; D265-R269 PolarHBondContact O-N 3.23Å |
| 266 | N | 98.3 | Very high | 97.3 | Very high | 15 Ų | 15 | 70.6 Ų | 70.6 | 8% | 0.08 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 177.9 | -84.7 | -39.2 | 0 | 0 | 0 | 112.8 | F262 Q264 R269 A270 Q276 H277 | F262-N266 PolarHBondContact O-N 3.49Å; F262-N266 VanDerWaalsContact O-N 3.09Å; Q264-N266 PolarHBondContact O-N 2.8Å; N266-R269 PolarHBondContact O-N 3.01Å; N266-A270 WeakPolarHBondContact O-CB 3.1Å; N266-A270 PolarHBondContact O-N 3.2Å; N266-Q276 HydrophobicContact CB-CB 4.4Å; N266-Q276 HydrophobicContact CB-CG 4.11Å; N266-Q276 WeakPolarHBondContact O-CG 3.03Å; N266-Q276 WeakPolarHBondContact OD1-CA 3.47Å; N266-H277 PolarHBondContact ND2-O 2.92Å; N266-H277 PolarHBondContact OD1-N 3.01Å; N266-H277 PolarHBondContact OD1-O 3.12Å |
| 267 | R | 98 | Very high | 97.3 | Very high | 158 Ų | 158 | 62.8 Ų | 62.8 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 171.8 | -75.3 | 178.8 | -70.5 | -163.7 | 0.6 | 112 | E263 Q264 D265 A270 A271 | E263-R267 WeakPolarHBondContact O-CG 3.46Å; E263-R267 PolarHBondContact O-N 3.09Å; E263-R267 PolarHBondContact O-NE 3.13Å; Q264-R267 WeakPolarHBondContact O-CB 3.09Å; Q264-R267 PolarHBondContact O-N 2.98Å; D265-R267 VanDerWaalsContact C-N 3.29Å; D265-R267 PolarHBondContact O-N 3.31Å; R267-A270 PolarHBondContact O-N 3.36Å; R267-A271 WeakPolarHBondContact O-CB 3.27Å; R267-A271 PolarHBondContact O-N 2.76Å |
| 268 | K | 95.5 | Very high | 97.2 | Very high | 60 Ų | 60 | 63.2 Ų | 63.2 | 26% | 0.261 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 174.8 | -73.6 | 178.5 | 174 | -174.7 | 0 | 111.4 | I51 Q264 D265 A271 R272 | I51-K268 HydrophobicContact CD1-CB 3.77Å; I51-K268 HydrophobicContact CD1-CD 3.4Å; I51-K268 HydrophobicContact CD1-CG 4.24Å; I51-K268 HydrophobicContact CG1-CB 4.14Å; Q264-K268 PolarHBondContact O-N 2.77Å; D265-K268 CarbonylContact O-C 3.57Å; D265-K268 WeakPolarHBondContact O-CA 3.44Å; D265-K268 WeakPolarHBondContact O-CB 3.5Å; D265-K268 PolarHBondContact O-N 3.01Å; K268-A271 PolarHBondContact O-N 3.31Å; K268-R272 WeakPolarHBondContact O-CG 3.38Å; K268-R272 PolarHBondContact O-N 3Å |
| 269 | R | 96.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.1 | -52 | 172.7 | -72.2 | -178.4 | 100 | 97.1 | 7.8 | 110.9 | T49 D50 I51 L53 D265 N266 A271 R272 G273 L274 P275 H277 | T49-R269 VanDerWaalsContact C-NH1 3.35Å; T49-R269 WeakPolarHBondContact O-CD 3.27Å; T49-R269 PolarHBondContact O-NH1 3.35Å; D50-R269 VanDerWaalsContact C-NH1 3.28Å; D50-R269 PolarHBondContact O-NH1 3.16Å; I51-R269 HydrophobicContact CG1-CG 4.41Å; L53-R269 PolarHBondContact O-NH2 3.03Å; D265-R269 WeakPolarHBondContact O-CG 3.47Å; D265-R269 PolarHBondContact O-N 3.23Å; N266-R269 PolarHBondContact O-N 3.01Å; R269-A271 VanDerWaalsContact C-N 3.33Å; R269-A271 PolarHBondContact O-N 3.07Å; R269-R272 CarbonylContact O-C 3.59Å; R269-R272 WeakPolarHBondContact O-CA 3.48Å; R269-R272 PolarHBondContact O-N 2.94Å; R269-G273 PolarHBondContact O-N 3.41Å; R269-G273 VanDerWaalsContact O-N 3.1Å; R269-L274 HydrophobicContact CB-CB 3.93Å; R269-L274 HydrophobicContact CG-CB 4.32Å; R269-L274 WeakPolarHBondContact O-CB 3.35Å; R269-L274 PolarHBondContact O-N 3.28Å; R269-P275 WeakPolarHBondContact CD-O 3.49Å; R269-P275 PolarHBondContact NE-O 3.36Å; R269-H277 PolarHBondContact NH2-CD2 3.38Å; R269-H277 PolarHBondContact NH2-NE2 2.84Å |
| 270 | A | 97.7 | Very high | 97.3 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N266 R267 R272 G273 Q276 | N266-A270 WeakPolarHBondContact O-CB 3.1Å; N266-A270 PolarHBondContact O-N 3.2Å; R267-A270 PolarHBondContact O-N 3.36Å; A270-R272 VanDerWaalsContact C-N 3.26Å; A270-R272 PolarHBondContact O-N 3.32Å; A270-G273 PolarHBondContact O-N 3.43Å; A270-G273 VanDerWaalsContact O-N 3.11Å; A270-Q276 HydrophobicContact CB-CG 4.2Å |
| 271 | A | 95.7 | Very high | 97.3 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 74% | 0.744 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.8 | -30.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R267 K268 R269 G273 | R267-A271 WeakPolarHBondContact O-CB 3.27Å; R267-A271 PolarHBondContact O-N 2.76Å; K268-A271 PolarHBondContact O-N 3.31Å; R269-A271 VanDerWaalsContact C-N 3.33Å; R269-A271 PolarHBondContact O-N 3.07Å; A271-G273 VanDerWaalsContact C-N 3.34Å |
| 272 | R | 93.7 | Very high | 97.3 | Very high | 111 Ų | 111 | 63 Ų | 63 | 42% | 0.419 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 3.3 | 175.2 | -66.2 | -179.2 | -177.2 | -147.7 | -0.5 | 113.5 | T190 K268 R269 A270 L274 | T190-R272 PolarHBondContact OG1-NH2 2.69Å; K268-R272 WeakPolarHBondContact O-CG 3.38Å; K268-R272 PolarHBondContact O-N 3Å; R269-R272 CarbonylContact O-C 3.59Å; R269-R272 WeakPolarHBondContact O-CA 3.48Å; R269-R272 PolarHBondContact O-N 2.94Å; A270-R272 VanDerWaalsContact C-N 3.26Å; A270-R272 PolarHBondContact O-N 3.32Å; R272-L274 VanDerWaalsContact C-N 3.25Å; R272-L274 HydrophobicContact CB-CD1 4.2Å; R272-L274 HydrophobicContact CB-CG 4.11Å; R272-L274 PolarHBondContact O-N 2.8Å |
| 273 | G | 95.9 | Very high | 97.3 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 16.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R269 A270 A271 | R269-G273 PolarHBondContact O-N 3.41Å; R269-G273 VanDerWaalsContact O-N 3.1Å; A270-G273 PolarHBondContact O-N 3.43Å; A270-G273 VanDerWaalsContact O-N 3.11Å; A271-G273 VanDerWaalsContact C-N 3.34Å |
| 274 | L | 96.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 151.8 | 177.1 | -60.2 | 175.7 | 0 | 0 | 0 | 111 | I51 R269 R272 | I51-L274 HydrophobicContact CG2-CD1 4.3Å; R269-L274 HydrophobicContact CB-CB 3.93Å; R269-L274 HydrophobicContact CG-CB 4.32Å; R269-L274 WeakPolarHBondContact O-CB 3.35Å; R269-L274 PolarHBondContact O-N 3.28Å; R272-L274 VanDerWaalsContact C-N 3.25Å; R272-L274 HydrophobicContact CB-CD1 4.2Å; R272-L274 HydrophobicContact CB-CG 4.11Å; R272-L274 PolarHBondContact O-N 2.8Å |
| 275 | P | 97 | Very high | 97.4 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 141.1 | 174.9 | 27.3 | -34.6 | 0 | 0 | 0 | 110.8 | R269 | R269-P275 WeakPolarHBondContact CD-O 3.49Å; R269-P275 PolarHBondContact NE-O 3.36Å |
| 276 | Q | 98.3 | Very high | 97.5 | Very high | 123 Ų | 123 | 57.7 Ų | 57.7 | 58% | 0.575 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 146.2 | 171.4 | -68.6 | 175.1 | 80.7 | 0 | 0 | 109.9 | N266 A270 | N266-Q276 HydrophobicContact CB-CB 4.4Å; N266-Q276 HydrophobicContact CB-CG 4.11Å; N266-Q276 WeakPolarHBondContact O-CG 3.03Å; N266-Q276 WeakPolarHBondContact OD1-CA 3.47Å; A270-Q276 HydrophobicContact CB-CG 4.2Å |
| 277 | H | 98.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 6% | 0.06 | 32% | 0.321 | C | S | . | . | trans | -115.3 | 141 | -179.6 | -64.7 | -48.4 | 0 | 0 | 0 | 111.5 | T47 V48 N266 R269 I279 | T47-H277 HydrophobicContact CG2-CB 3.64Å; T47-H277 VanDerWaalsContact CG2-CG 3.49Å; V48-H277 PolarHBondContact O-CD2 3.3Å; N266-H277 PolarHBondContact ND2-O 2.92Å; N266-H277 PolarHBondContact OD1-N 3.01Å; N266-H277 PolarHBondContact OD1-O 3.12Å; R269-H277 PolarHBondContact NH2-CD2 3.38Å; R269-H277 PolarHBondContact NH2-NE2 2.84Å; H277-I279 PolarHBondContact O-N 3Å | ||
| 278 | P | 97.5 | Very high | 97.5 | Very high | 72 Ų | 72 | 55.6 Ų | 55.6 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | trans | -63.3 | 133.7 | 175.7 | 27.6 | -33.6 | 0 | 0 | 0 | 110.1 | D280 | P278-D280 PolarHBondContact O-N 3.26Š| ||
| 279 | I | 98.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | trans | -65.2 | 132.8 | 176.3 | -64.1 | 176.6 | 0 | 0 | 0 | 109.5 | Q259 F262 E263 H277 Q281 I284 | Q259-I279 HydrophobicContact CG-CD1 4.47Å; F262-I279 HydrophobicContact CB-CD1 3.75Å; F262-I279 HydrophobicContact CB-CG1 3.83Å; F262-I279 HydrophobicContact CB-CG2 4.46Å; F262-I279 HydrophobicContact CD2-CG2 3.7Å; F262-I279 HydrophobicContact CE2-CG2 4.4Å; E263-I279 HydrophobicContact CG-CD1 3.79Å; H277-I279 PolarHBondContact O-N 3Å; I279-Q281 PolarHBondContact O-N 3.38Å; I279-Q281 PolarHBondContact O-NE2 2.97Å; I279-I284 HydrophobicContact CG2-CD1 4.48Å; I279-I284 HydrophobicContact CG2-CG1 3.82Å | ||
| 280 | D | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.011 | 36% | 0.36 | C | S | . | . | trans | -66.1 | 99.1 | 174.2 | -168.7 | -27.4 | 0 | 0 | 0 | 110.8 | A46 Y79 P278 N282 L283 I284 | A46-D280 HydrophobicContact CB-CB 3.66Å; Y79-D280 HydrophobicContact CD2-CB 3.82Å; Y79-D280 HydrophobicContact CE2-CB 3.99Å; P278-D280 PolarHBondContact O-N 3.26Å; D280-N282 VanDerWaalsContact C-N 3.26Å; D280-N282 PolarHBondContact O-N 2.66Å; D280-N282 WeakPolarHBondContact OD1-CA 3.39Å; D280-N282 VanDerWaalsContact OD1-CB 3.28Å; D280-N282 WeakPolarHBondContact OD1-CB 3.34Å; D280-N282 PolarHBondContact OD1-N 2.96Å; D280-L283 HydrophobicContact CB-CB 4.2Å; D280-L283 PolarHBondContact O-N 3.18Å; D280-L283 PolarHBondContact OD1-N 3.11Å; D280-I284 PolarHBondContact O-N 3.43Å | ||
| 281 | Q | 98.4 | Very high | 97.8 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.3 | -26.3 | 178.7 | -61.2 | -54.1 | -50.5 | 0 | 0 | 112.5 | I279 L283 I284 D285 | I279-Q281 PolarHBondContact O-N 3.38Å; I279-Q281 PolarHBondContact O-NE2 2.97Å; Q281-L283 VanDerWaalsContact C-N 3.33Å; Q281-L283 PolarHBondContact O-N 3.49Å; Q281-I284 PolarHBondContact O-N 3.21Å; Q281-D285 VanDerWaalsContact O-CB 3.28Å; Q281-D285 WeakPolarHBondContact O-CB 3.38Å; Q281-D285 VanDerWaalsContact O-CG 3.26Å; Q281-D285 PolarHBondContact O-N 2.96Å |
| 282 | N | 98.7 | Very high | 97.9 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.1 | -36.7 | 177.1 | -63 | -62.1 | 0 | 0 | 0 | 111.3 | D280 A286 | D280-N282 VanDerWaalsContact C-N 3.26Å; D280-N282 PolarHBondContact O-N 2.66Å; D280-N282 WeakPolarHBondContact OD1-CA 3.39Å; D280-N282 VanDerWaalsContact OD1-CB 3.28Å; D280-N282 WeakPolarHBondContact OD1-CB 3.34Å; D280-N282 PolarHBondContact OD1-N 2.96Å; N282-A286 VanDerWaalsContact O-CB 3.3Å; N282-A286 WeakPolarHBondContact O-CB 3.35Å; N282-A286 PolarHBondContact O-N 2.73Å; N282-A286 VanDerWaalsContact O-N 3.08Å |
| 283 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -51.3 | 172.1 | 173.4 | 63.1 | 0 | 0 | 0 | 110.6 | Y79 K82 F262 D280 Q281 D285 A286 L287 | Y79-L283 HydrophobicContact CD1-CD2 3.6Å; Y79-L283 HydrophobicContact CD2-CD2 3.97Å; Y79-L283 HydrophobicContact CE1-CD2 3.71Å; Y79-L283 HydrophobicContact CE2-CD2 4.06Å; Y79-L283 HydrophobicContact CG-CD2 3.74Å; K82-L283 HydrophobicContact CB-CD1 3.81Å; K82-L283 HydrophobicContact CD-CD1 4.09Å; F262-L283 HydrophobicContact CE2-CD2 3.88Å; F262-L283 HydrophobicContact CZ-CD2 3.75Å; D280-L283 HydrophobicContact CB-CB 4.2Å; D280-L283 PolarHBondContact O-N 3.18Å; D280-L283 PolarHBondContact OD1-N 3.11Å; Q281-L283 VanDerWaalsContact C-N 3.33Å; Q281-L283 PolarHBondContact O-N 3.49Å; L283-D285 VanDerWaalsContact C-N 3.32Å; L283-D285 PolarHBondContact O-N 3.14Å; L283-A286 WeakPolarHBondContact O-CB 3.38Å; L283-A286 PolarHBondContact O-N 2.69Å; L283-A286 VanDerWaalsContact O-N 3.17Å; L283-L287 HydrophobicContact CD1-CD1 4.22Å; L283-L287 HydrophobicContact CD1-CG 4.18Å; L283-L287 HydrophobicContact CG-CD1 4.17Å; L283-L287 WeakPolarHBondContact O-CG 3.3Å; L283-L287 PolarHBondContact O-N 3.3Å |
| 284 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | -178.1 | -64.4 | -56.4 | 0 | 0 | 0 | 111.4 | Q258 Q259 F262 I279 D280 Q281 A286 L287 K288 | Q258-I284 HydrophobicContact CB-CD1 4.38Å; Q258-I284 HydrophobicContact CG-CD1 4.16Å; Q259-I284 HydrophobicContact CB-CD1 3.99Å; F262-I284 HydrophobicContact CD2-CD1 4.01Å; F262-I284 HydrophobicContact CE2-CD1 3.87Å; I279-I284 HydrophobicContact CG2-CD1 4.48Å; I279-I284 HydrophobicContact CG2-CG1 3.82Å; D280-I284 PolarHBondContact O-N 3.43Å; Q281-I284 PolarHBondContact O-N 3.21Å; I284-A286 VanDerWaalsContact C-N 3.35Å; I284-L287 PolarHBondContact O-N 3.32Å; I284-K288 WeakPolarHBondContact O-CG 3.4Å; I284-K288 PolarHBondContact O-N 2.88Å |
| 285 | D | 98.7 | Very high | 98.4 | Very high | 78 Ų | 78 | 48 Ų | 48 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.6 | -35.1 | 178.1 | -71.2 | -19.1 | 0 | 0 | 0 | 112.2 | Q281 L283 K288 V289 | Q281-D285 VanDerWaalsContact O-CB 3.28Å; Q281-D285 WeakPolarHBondContact O-CB 3.38Å; Q281-D285 VanDerWaalsContact O-CG 3.26Å; Q281-D285 PolarHBondContact O-N 2.96Å; L283-D285 VanDerWaalsContact C-N 3.32Å; L283-D285 PolarHBondContact O-N 3.14Å; D285-K288 PolarHBondContact O-N 3.49Å; D285-K288 IonicContact OD1-NZ 3.07Å; D285-K288 PolarHBondContact OD1-NZ 2.77Å; D285-V289 WeakPolarHBondContact O-CG2 3.49Å; D285-V289 PolarHBondContact O-N 3.44Å |
| 286 | A | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 44 Ų | 44 | 12% | 0.116 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R83 V86 N282 L283 I284 K288 V289 G290 | R83-A286 HydrophobicContact CB-CB 4.45Å; R83-A286 HydrophobicContact CG-CB 3.83Å; V86-A286 HydrophobicContact CB-CB 4.17Å; V86-A286 HydrophobicContact CG1-CB 4.2Å; V86-A286 WeakPolarHBondContact CG1-O 3.47Å; V86-A286 HydrophobicContact CG2-CB 3.98Å; V86-A286 WeakPolarHBondContact CG2-O 3.49Å; N282-A286 VanDerWaalsContact O-CB 3.3Å; N282-A286 WeakPolarHBondContact O-CB 3.35Å; N282-A286 PolarHBondContact O-N 2.73Å; N282-A286 VanDerWaalsContact O-N 3.08Å; L283-A286 WeakPolarHBondContact O-CB 3.38Å; L283-A286 PolarHBondContact O-N 2.69Å; L283-A286 VanDerWaalsContact O-N 3.17Å; I284-A286 VanDerWaalsContact C-N 3.35Å; A286-K288 VanDerWaalsContact C-N 3.28Å; A286-K288 PolarHBondContact O-N 3.14Å; A286-V289 WeakPolarHBondContact O-CB 3.49Å; A286-V289 PolarHBondContact O-N 3.32Å; A286-V289 VanDerWaalsContact O-N 3.07Å; A286-G290 PolarHBondContact O-N 3.37Å; A286-G290 VanDerWaalsContact O-N 3.16Å |
| 287 | L | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.4 | -36.1 | 176.3 | -67.5 | 174.2 | 0 | 0 | 0 | 112.1 | A255 Q258 L283 I284 V289 G290 M291 | A255-L287 HydrophobicContact CB-CB 3.54Å; Q258-L287 HydrophobicContact CB-CD1 3.82Å; Q258-L287 HydrophobicContact CG-CD1 3.67Å; L283-L287 HydrophobicContact CD1-CD1 4.22Å; L283-L287 HydrophobicContact CD1-CG 4.18Å; L283-L287 HydrophobicContact CG-CD1 4.17Å; L283-L287 WeakPolarHBondContact O-CG 3.3Å; L283-L287 PolarHBondContact O-N 3.3Å; I284-L287 PolarHBondContact O-N 3.32Å; L287-V289 VanDerWaalsContact C-N 3.31Å; L287-V289 PolarHBondContact O-N 2.97Å; L287-G290 PolarHBondContact O-N 3.04Å; L287-M291 HydrophobicContact CD2-CB 3.92Å; L287-M291 HydrophobicContact CD2-CE 3.81Å; L287-M291 HydrophobicContact CD2-SD 3.93Å |
| 288 | K | 98.6 | Very high | 98.6 | Very high | 121 Ų | 121 | 38.9 Ų | 38.9 | 53% | 0.526 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.3 | -33 | 174.4 | -70.4 | 170.8 | -166.4 | 152.7 | 0 | 112.9 | A255 I284 D285 A286 G290 | A255-K288 HydrophobicContact CB-CB 4.5Å; A255-K288 HydrophobicContact CB-CG 3.75Å; I284-K288 WeakPolarHBondContact O-CG 3.4Å; I284-K288 PolarHBondContact O-N 2.88Å; D285-K288 PolarHBondContact O-N 3.49Å; D285-K288 IonicContact OD1-NZ 3.07Å; D285-K288 PolarHBondContact OD1-NZ 2.77Å; A286-K288 VanDerWaalsContact C-N 3.28Å; A286-K288 PolarHBondContact O-N 3.14Å; K288-G290 VanDerWaalsContact C-N 3.33Å |
| 289 | V | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 35.4 Ų | 35.4 | 73% | 0.727 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -67.5 | -38.5 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | V86 D285 A286 L287 | V86-V289 HydrophobicContact CG1-CB 3.88Å; V86-V289 HydrophobicContact CG1-CG1 3.84Å; D285-V289 WeakPolarHBondContact O-CG2 3.49Å; D285-V289 PolarHBondContact O-N 3.44Å; A286-V289 WeakPolarHBondContact O-CB 3.49Å; A286-V289 PolarHBondContact O-N 3.32Å; A286-V289 VanDerWaalsContact O-N 3.07Å; L287-V289 VanDerWaalsContact C-N 3.31Å; L287-V289 PolarHBondContact O-N 2.97Å |
| 290 | G | 98.1 | Very high | 98.6 | Very high | 42 Ų | 42 | 34.7 Ų | 34.7 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | trans | 123.7 | 107.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A286 L287 K288 | A286-G290 PolarHBondContact O-N 3.37Å; A286-G290 VanDerWaalsContact O-N 3.16Å; L287-G290 PolarHBondContact O-N 3.04Å; K288-G290 VanDerWaalsContact C-N 3.33Å | ||
| 291 | M | 98.5 | Very high | 98.7 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 6% | 0.064 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -84.6 | 133.5 | 169.1 | -170.7 | 168.7 | 72.4 | 0 | 0 | 108.9 | K82 L85 V86 E251 L252 T253 L287 | K82-M291 HydrophobicContact CB-SD 3.84Å; K82-M291 HydrophobicContact CD-CE 4.31Å; K82-M291 HydrophobicContact CD-SD 4.08Å; K82-M291 HydrophobicContact CG-SD 3.71Å; L85-M291 HydrophobicContact CB-CG 4.24Å; L85-M291 HydrophobicContact CD1-SD 4.26Å; V86-M291 HydrophobicContact CG2-CB 3.67Å; V86-M291 HydrophobicContact CG2-CG 4.09Å; E251-M291 HydrophobicContact CB-CE 3.75Å; L252-M291 WeakPolarHBondContact O-CE 3.39Å; T253-M291 HydrophobicContact CG2-CE 4Å; L287-M291 HydrophobicContact CD2-CB 3.92Å; L287-M291 HydrophobicContact CD2-CE 3.81Å; L287-M291 HydrophobicContact CD2-SD 3.93Å |
| 292 | P | 98.5 | Very high | 98.7 | Very high | 42 Ų | 42 | 30.4 Ų | 30.4 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -62 | 146.8 | 172.7 | 27.9 | -34.5 | 0 | 0 | 0 | 110 | C294 | P292-C294 PolarHBondContact O-N 3.24Å; P292-C294 PolarHBondContact O-SG 3.43Å; P292-C294 VanDerWaalsContact O-SG 3.32Å |
| 293 | D | 98.7 | Very high | 98.7 | Very high | 72 Ų | 72 | 28 Ų | 28 | 39% | 0.385 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -51.5 | 126.1 | 167.5 | -171.7 | -98.4 | 0 | 0 | 0 | 109.8 | H121 H250 | H121-D293 PolarHBondContact N-O 3.22Å; H250-D293 IonicContact CE1-OD2 2.7Å; H250-D293 PolarHBondContact CE1-OD2 3Å; H250-D293 IonicContact NE2-OD1 3.81Å; H250-D293 PolarHBondContact NE2-OD1 2.75Å; H250-D293 IonicContact NE2-OD2 3.38Å; H250-D293 PolarHBondContact NE2-OD2 2.75Å |
| 294 | C | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 157.1 | -172.1 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | R119 H250 E251 P292 | R119-C294 VanDerWaalsContact O-CA 3.32Å; R119-C294 WeakPolarHBondContact O-CA 3.47Å; R119-C294 WeakPolarHBondContact O-CB 3.4Å; H250-C294 PolarHBondContact CD2-O 3.43Å; H250-C294 VanDerWaalsContact CD2-O 3.24Å; E251-C294 VanDerWaalsContact CB-O 3.24Å; E251-C294 WeakPolarHBondContact CB-O 3.4Å; E251-C294 VanDerWaalsContact CG-O 3.23Å; E251-C294 WeakPolarHBondContact CG-O 3.38Å; E251-C294 PolarHBondContact N-O 2.84Å; P292-C294 PolarHBondContact O-N 3.24Å; P292-C294 PolarHBondContact O-SG 3.43Å; P292-C294 VanDerWaalsContact O-SG 3.32Å |
| 295 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 145 | 167.8 | -61.1 | 0 | 0 | 0 | 0 | 110.5 | Y118 R119 Y122 D123 M124 F249 H250 | Y118-S295 WeakPolarHBondContact CA-O 3.24Å; R119-S295 PolarHBondContact N-O 2.92Å; R119-S295 PolarHBondContact O-N 3.24Å; Y122-S295 WeakPolarHBondContact O-CB 3.31Å; Y122-S295 PolarHBondContact O-N 3.08Å; Y122-S295 PolarHBondContact O-OG 2.85Å; D123-S295 VanDerWaalsContact C-OG 3.22Å; D123-S295 PolarHBondContact O-OG 3.46Å; M124-S295 PolarHBondContact N-OG 2.91Å; F249-S295 CarbonylContact O-C 3.41Å; F249-S295 WeakPolarHBondContact O-CA 3.48Å; F249-S295 VanDerWaalsContact O-CB 3.29Å; F249-S295 WeakPolarHBondContact O-CB 3.3Å; H250-S295 WeakPolarHBondContact CA-OG 3Å |
| 296 | G | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 157 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | W117 L127 G248 F249 E251 | W117-G296 VanDerWaalsContact O-CA 3.28Å; W117-G296 WeakPolarHBondContact O-CA 3.17Å; L127-G296 VanDerWaalsContact CD2-C 3.46Å; L127-G296 WeakPolarHBondContact CD2-O 3.49Å; G248-G296 CarbonylContact C-O 3.5Å; G248-G296 WeakPolarHBondContact CA-O 3.49Å; F249-G296 PolarHBondContact N-O 3.38Å; F249-G296 PolarHBondContact O-N 2.8Å; E251-G296 WeakPolarHBondContact OE1-CA 3.35Å; E251-G296 PolarHBondContact OE1-N 3.49Å |
| 297 | V | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 139.7 | 177.4 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | E116 W117 L127 V131 F236 A246 | E116-V297 VanDerWaalsContact CA-O 3.31Å; E116-V297 WeakPolarHBondContact CA-O 3.47Å; E116-V297 WeakPolarHBondContact CG-O 3.39Å; W117-V297 HydrophobicContact CD2-CG1 3.45Å; W117-V297 VanDerWaalsContact CD2-CG1 3.45Å; W117-V297 HydrophobicContact CE3-CG1 3.55Å; W117-V297 HydrophobicContact CG-CG1 4.31Å; W117-V297 HydrophobicContact CH2-CG1 3.36Å; W117-V297 HydrophobicContact CH2-CG2 4.46Å; W117-V297 HydrophobicContact CZ2-CG1 3.23Å; W117-V297 HydrophobicContact CZ3-CG1 3.51Å; W117-V297 PolarHBondContact N-O 2.62Å; W117-V297 VanDerWaalsContact N-O 3.08Å; W117-V297 PolarHBondContact O-N 3.09Å; L127-V297 HydrophobicContact CD1-CG1 3.91Å; L127-V297 HydrophobicContact CD2-CB 3.92Å; L127-V297 HydrophobicContact CD2-CG1 3.87Å; L127-V297 HydrophobicContact CG-CB 4.46Å; L127-V297 HydrophobicContact CG-CG1 4.04Å; V131-V297 HydrophobicContact CG2-CG1 3.97Å; V131-V297 HydrophobicContact CG2-CG2 4.13Å; F236-V297 HydrophobicContact CE2-CG2 4.08Å; F236-V297 HydrophobicContact CZ-CB 4.05Å; F236-V297 HydrophobicContact CZ-CG2 3.95Å; A246-V297 HydrophobicContact CB-CG2 3.85Å |
| 298 | A | 98.8 | Very high | 98.7 | Very high | 24 Ų | 24 | 26 Ų | 26 | 20% | 0.198 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | M114 E116 A246 N247 | M114-A298 HydrophobicContact CG-CB 4.32Å; M114-A298 HydrophobicContact SD-CB 3.81Å; E116-A298 HydrophobicContact CB-CB 4.46Å; E116-A298 HydrophobicContact CG-CB 3.9Å; A246-A298 CarbonylContact C-O 3.44Å; A246-A298 WeakPolarHBondContact CA-O 3.39Å; A246-A298 VanDerWaalsContact CB-O 3.31Å; A246-A298 WeakPolarHBondContact CB-O 3.33Å; N247-A298 PolarHBondContact N-O 3.33Å; N247-A298 PolarHBondContact O-N 3.46Å |
| 299 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132 | -177 | -179 | 151.8 | 0 | 0 | 0 | 111 | M114 L115 W117 L134 L135 L245 A246 V301 L304 | M114-L299 WeakPolarHBondContact CA-O 3.21Å; L115-L299 HydrophobicContact CB-CB 4.31Å; L115-L299 HydrophobicContact CB-CD2 4.33Å; L115-L299 HydrophobicContact CD2-CD2 4.38Å; L115-L299 PolarHBondContact N-O 3.27Å; L115-L299 PolarHBondContact O-N 3.42Å; W117-L299 HydrophobicContact CZ3-CB 4.25Å; L134-L299 HydrophobicContact CD2-CD1 4.29Å; L135-L299 HydrophobicContact CD2-CD1 4.2Å; L245-L299 CarbonylContact O-C 3.5Å; L245-L299 WeakPolarHBondContact O-CA 3.45Å; A246-L299 HydrophobicContact CB-CB 3.73Å; A246-L299 HydrophobicContact CB-CD1 4.2Å; A246-L299 HydrophobicContact CB-CG 4.05Å; L299-V301 HydrophobicContact CD2-CG2 4.25Å; L299-V301 PolarHBondContact O-N 2.94Å; L299-L304 HydrophobicContact CD2-CB 4.03Å; L299-L304 HydrophobicContact CD2-CD2 3.88Å |
| 300 | G | 98.6 | Very high | 98.6 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 99.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L245 D302 R303 L304 | L245-G300 PolarHBondContact O-N 3.07Å; G300-D302 VanDerWaalsContact C-N 3.29Å; G300-D302 PolarHBondContact O-N 2.99Å; G300-R303 PolarHBondContact O-N 3.06Å; G300-R303 VanDerWaalsContact O-N 3.16Å; G300-L304 PolarHBondContact O-N 2.76Å |
| 301 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64 | -36.1 | -175.5 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | M23 I26 L95 T113 L115 L299 R303 L304 V305 | M23-V301 HydrophobicContact SD-CG1 3.71Å; I26-V301 HydrophobicContact CD1-CG1 4.34Å; L95-V301 HydrophobicContact CD2-CG2 3.77Å; T113-V301 HydrophobicContact CG2-CB 4.02Å; T113-V301 HydrophobicContact CG2-CG1 4.34Å; T113-V301 HydrophobicContact CG2-CG2 4.18Å; T113-V301 WeakPolarHBondContact O-CB 3.48Å; T113-V301 PolarHBondContact O-N 3.47Å; L115-V301 HydrophobicContact CB-CG2 3.51Å; L299-V301 HydrophobicContact CD2-CG2 4.25Å; L299-V301 PolarHBondContact O-N 2.94Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 3.04Å; V301-L304 PolarHBondContact O-N 3.13Å; V301-V305 HydrophobicContact CG1-CG2 4.05Å; V301-V305 WeakPolarHBondContact O-CB 3.47Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.26Å; V301-V305 PolarHBondContact O-N 2.87Å |
| 302 | D | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 177.9 | -58.6 | -53.6 | 0 | 0 | 0 | 111.7 | R19 F112 T113 G300 M306 L314 | R19-D302 IonicContact CZ-OD1 2.93Å; R19-D302 IonicContact NH1-OD1 2.85Å; R19-D302 PolarHBondContact NH1-OD1 3.43Å; R19-D302 IonicContact NH2-OD1 3.57Å; R19-D302 PolarHBondContact NH2-OD1 3.25Å; F112-D302 WeakPolarHBondContact CA-OD2 3.37Å; F112-D302 VanDerWaalsContact CB-OD2 3.28Å; F112-D302 WeakPolarHBondContact CB-OD2 3.3Å; T113-D302 PolarHBondContact N-OD2 3.41Å; G300-D302 VanDerWaalsContact C-N 3.29Å; G300-D302 PolarHBondContact O-N 2.99Å; D302-M306 VanDerWaalsContact O-CB 3.23Å; D302-M306 WeakPolarHBondContact O-CB 3.48Å; D302-M306 PolarHBondContact O-N 3.43Å; D302-L314 HydrophobicContact CB-CD1 4.33Å; D302-L314 HydrophobicContact CB-CD2 4Å; D302-L314 HydrophobicContact CB-CG 3.89Å |
| 303 | R | 98.6 | Very high | 98.5 | Very high | 33 Ų | 33 | 23.1 Ų | 23.1 | 13% | 0.125 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -41.3 | 175.7 | -64.6 | 177.5 | -177.6 | 173.4 | 2.5 | 111.4 | Y107 H108 I243 E244 L245 G300 V301 M306 L307 L314 | Y107-R303 PolarHBondContact O-NE 3.04Å; Y107-R303 VanDerWaalsContact O-NE 3.12Å; Y107-R303 PolarHBondContact O-NH2 3.24Å; H108-R303 PolarHBondContact CD2-NH2 3.3Å; H108-R303 VanDerWaalsContact CD2-NH2 3.27Å; H108-R303 PolarHBondContact NE2-NH2 3.4Å; I243-R303 HydrophobicContact CG2-CB 3.87Å; I243-R303 HydrophobicContact CG2-CG 4.03Å; E244-R303 WeakPolarHBondContact O-CD 3.25Å; E244-R303 PolarHBondContact O-NH1 2.92Å; E244-R303 IonicContact OE2-NH1 3.26Å; L245-R303 HydrophobicContact CD2-CB 3.87Å; G300-R303 PolarHBondContact O-N 3.06Å; G300-R303 VanDerWaalsContact O-N 3.16Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 3.04Å; R303-M306 WeakPolarHBondContact O-CB 3.38Å; R303-M306 PolarHBondContact O-N 3.45Å; R303-L307 PolarHBondContact O-N 3.14Å; R303-L314 HydrophobicContact CG-CD1 3.81Å |
| 304 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -49 | 174.7 | -179.6 | 69.7 | 0 | 0 | 0 | 111.7 | I26 L135 V138 L139 L299 G300 V301 M306 L307 A308 | I26-L304 HydrophobicContact CD1-CD2 4.1Å; L135-L304 HydrophobicContact CD2-CD1 3.75Å; V138-L304 HydrophobicContact CB-CD2 4.39Å; V138-L304 HydrophobicContact CG1-CD1 4.26Å; V138-L304 HydrophobicContact CG1-CD2 3.94Å; V138-L304 HydrophobicContact CG1-CG 3.99Å; L139-L304 HydrophobicContact CD1-CD1 3.89Å; L139-L304 HydrophobicContact CD2-CD1 3.79Å; L139-L304 HydrophobicContact CG-CD1 3.76Å; L299-L304 HydrophobicContact CD2-CB 4.03Å; L299-L304 HydrophobicContact CD2-CD2 3.88Å; G300-L304 PolarHBondContact O-N 2.76Å; V301-L304 PolarHBondContact O-N 3.13Å; L304-M306 VanDerWaalsContact C-N 3.34Å; L304-M306 PolarHBondContact O-N 3.14Å; L304-L307 PolarHBondContact O-N 3.39Å; L304-A308 WeakPolarHBondContact O-CB 3.2Å; L304-A308 PolarHBondContact O-N 2.79Å |
| 305 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 177.4 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | R19 I22 V301 L307 A308 L309 V317 | R19-V305 HydrophobicContact CB-CG1 4.1Å; R19-V305 HydrophobicContact CG-CG1 4.18Å; R19-V305 HydrophobicContact CG-CG2 4.31Å; I22-V305 HydrophobicContact CB-CG2 4.38Å; I22-V305 HydrophobicContact CD1-CB 4.49Å; I22-V305 HydrophobicContact CD1-CG1 4.22Å; I22-V305 HydrophobicContact CD1-CG2 4.17Å; I22-V305 HydrophobicContact CG2-CG2 3.93Å; V301-V305 HydrophobicContact CG1-CG2 4.05Å; V301-V305 WeakPolarHBondContact O-CB 3.47Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.26Å; V301-V305 PolarHBondContact O-N 2.87Å; V305-L307 VanDerWaalsContact C-N 3.32Å; V305-L307 PolarHBondContact O-N 2.98Å; V305-A308 PolarHBondContact O-N 2.89Å; V305-L309 HydrophobicContact CG1-CD1 3.74Å; V305-L309 HydrophobicContact CG1-CG 4.05Å; V305-L309 WeakPolarHBondContact O-CB 3.35Å; V305-L309 VanDerWaalsContact O-CG 3.24Å; V305-L309 WeakPolarHBondContact O-CG 3.47Å; V305-L309 PolarHBondContact O-N 2.7Å; V305-V317 HydrophobicContact CG1-CB 3.94Å; V305-V317 HydrophobicContact CG1-CG1 3.98Å |
| 306 | M | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.1 | -47.3 | 175.7 | -173.4 | -172.3 | 74.2 | 0 | 0 | 111.1 | Y107 I243 D302 R303 L304 L309 G310 A311 L314 V317 | Y107-M306 HydrophobicContact CD1-CE 3.66Å; Y107-M306 HydrophobicContact CD1-SD 4.09Å; Y107-M306 HydrophobicContact CE1-CE 3.69Å; Y107-M306 HydrophobicContact CE1-SD 4.29Å; I243-M306 HydrophobicContact CD1-CE 3.22Å; I243-M306 HydrophobicContact CG1-CE 4.1Å; D302-M306 VanDerWaalsContact O-CB 3.23Å; D302-M306 WeakPolarHBondContact O-CB 3.48Å; D302-M306 PolarHBondContact O-N 3.43Å; R303-M306 WeakPolarHBondContact O-CB 3.38Å; R303-M306 PolarHBondContact O-N 3.45Å; L304-M306 VanDerWaalsContact C-N 3.34Å; L304-M306 PolarHBondContact O-N 3.14Å; M306-L309 PolarHBondContact O-N 3.38Å; M306-G310 PolarHBondContact O-N 3Å; M306-G310 VanDerWaalsContact O-N 3.07Å; M306-A311 HydrophobicContact CB-CB 4.46Å; M306-A311 HydrophobicContact CG-CB 3.76Å; M306-A311 VanDerWaalsContact CG-O 3.29Å; M306-A311 WeakPolarHBondContact CG-O 3.49Å; M306-A311 PolarHBondContact O-N 3.15Å; M306-L314 HydrophobicContact SD-CD1 3.93Å; M306-V317 HydrophobicContact CB-CG1 4.39Å; M306-V317 HydrophobicContact CB-CG2 4.14Å |
| 307 | L | 98.5 | Very high | 98.3 | Very high | 17 Ų | 17 | 25 Ų | 25 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 175.8 | -71.8 | -172.1 | 0 | 0 | 0 | 113.3 | L139 Y240 K241 I243 L245 R303 L304 V305 L309 G310 | L139-L307 HydrophobicContact CD2-CB 3.99Å; Y240-L307 HydrophobicContact CD1-CD1 3.8Å; Y240-L307 HydrophobicContact CG-CD1 4.33Å; K241-L307 HydrophobicContact CB-CD2 3.91Å; K241-L307 HydrophobicContact CD-CD2 4.04Å; I243-L307 HydrophobicContact CD1-CD2 3.44Å; I243-L307 VanDerWaalsContact CD1-CD2 3.44Å; I243-L307 HydrophobicContact CD1-CG 4.09Å; L245-L307 HydrophobicContact CD1-CD1 3.96Å; L245-L307 HydrophobicContact CD2-CD1 3.78Å; L245-L307 HydrophobicContact CG-CD1 4.19Å; R303-L307 PolarHBondContact O-N 3.14Å; L304-L307 PolarHBondContact O-N 3.39Å; V305-L307 VanDerWaalsContact C-N 3.32Å; V305-L307 PolarHBondContact O-N 2.98Å; L307-L309 PolarHBondContact O-N 3.4Å; L307-G310 PolarHBondContact O-N 3.38Å |
| 308 | A | 98.6 | Very high | 98.3 | Very high | 37 Ų | 37 | 25.8 Ų | 25.8 | 31% | 0.306 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.2 | -33.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I22 L139 L304 V305 | I22-A308 HydrophobicContact CD1-CB 3.74Å; L139-A308 HydrophobicContact CD2-CB 3.84Å; L304-A308 WeakPolarHBondContact O-CB 3.2Å; L304-A308 PolarHBondContact O-N 2.79Å; V305-A308 PolarHBondContact O-N 2.89Å |
| 309 | L | 98.5 | Very high | 98.3 | Very high | 38 Ų | 38 | 26.4 Ų | 26.4 | 20% | 0.199 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -95 | -4.9 | -177.8 | -58.6 | -168.2 | 0 | 0 | 0 | 113.9 | N15 K18 I22 V305 M306 L307 A311 V317 | N15-L309 HydrophobicContact CB-CD1 4.01Å; K18-L309 HydrophobicContact CB-CD1 4.1Å; K18-L309 HydrophobicContact CB-CD2 3.66Å; K18-L309 HydrophobicContact CD-CD2 3.49Å; K18-L309 VanDerWaalsContact CD-CD2 3.49Å; K18-L309 HydrophobicContact CG-CD2 4.24Å; I22-L309 HydrophobicContact CD1-CD2 4.21Å; V305-L309 HydrophobicContact CG1-CD1 3.74Å; V305-L309 HydrophobicContact CG1-CG 4.05Å; V305-L309 WeakPolarHBondContact O-CB 3.35Å; V305-L309 VanDerWaalsContact O-CG 3.24Å; V305-L309 WeakPolarHBondContact O-CG 3.47Å; V305-L309 PolarHBondContact O-N 2.7Å; M306-L309 PolarHBondContact O-N 3.38Å; L307-L309 PolarHBondContact O-N 3.4Å; L309-A311 PolarHBondContact O-N 3.47Å; L309-V317 HydrophobicContact CD1-CG1 4.2Å |
| 310 | G | 97.8 | Very high | 98.2 | Very high | 60 Ų | 60 | 31 Ų | 31 | 62% | 0.619 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 31.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M306 L307 | M306-G310 PolarHBondContact O-N 3Å; M306-G310 VanDerWaalsContact O-N 3.07Å; L307-G310 PolarHBondContact O-N 3.38Å |
| 311 | A | 98.1 | Very high | 98.1 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | trans | -78 | 151.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | M306 L309 E316 V317 | M306-A311 HydrophobicContact CB-CB 4.46Å; M306-A311 HydrophobicContact CG-CB 3.76Å; M306-A311 VanDerWaalsContact CG-O 3.29Å; M306-A311 WeakPolarHBondContact CG-O 3.49Å; M306-A311 PolarHBondContact O-N 3.15Å; L309-A311 PolarHBondContact O-N 3.47Å; A311-E316 HydrophobicContact CB-CB 3.96Å; A311-V317 HydrophobicContact CB-CG1 3.84Å | ||
| 312 | E | 97.4 | Very high | 97.9 | Very high | 118 Ų | 118 | 33.8 Ų | 33.8 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -91.9 | -25.6 | -176.9 | -67.6 | -71.8 | 143.3 | 0 | 0 | 111.6 | R106 E316 | R106-E312 VanDerWaalsContact CZ-O 3.3Å; R106-E312 IonicContact CZ-OE2 3.93Å; R106-E312 PolarHBondContact NE-O 3.39Å; R106-E312 PolarHBondContact NH2-O 2.84Å; R106-E312 IonicContact NH2-OE2 2.96Å; R106-E312 PolarHBondContact NH2-OE2 3.24Å; E312-E316 PolarHBondContact N-OE2 3.19Å |
| 313 | T | 97.7 | Very high | 97.7 | Very high | 47 Ų | 47 | 39 Ų | 39 | 29% | 0.288 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -136.4 | 156.4 | -175.9 | 71 | 0 | 0 | 0 | 0 | 112.8 | R106 A315 E316 | R106-T313 HydrophobicContact CG-CG2 4.21Å; T313-A315 PolarHBondContact O-N 3.26Å; T313-E316 PolarHBondContact N-OE2 2.9Å; T313-E316 PolarHBondContact O-N 3.41Å; T313-E316 WeakPolarHBondContact OG1-CG 3.37Å; T313-E316 PolarHBondContact OG1-OE2 3.38Å |
| 314 | L | 97.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -59.7 | -33.2 | 174.7 | -117 | 70.6 | 0 | 0 | 0 | 112.9 | R106 N109 D302 R303 M306 E316 V317 I318 | R106-L314 PolarHBondContact O-N 2.92Å; N109-L314 HydrophobicContact CB-CD2 4.23Å; D302-L314 HydrophobicContact CB-CD1 4.33Å; D302-L314 HydrophobicContact CB-CD2 4Å; D302-L314 HydrophobicContact CB-CG 3.89Å; R303-L314 HydrophobicContact CG-CD1 3.81Å; M306-L314 HydrophobicContact SD-CD1 3.93Å; L314-E316 PolarHBondContact O-N 3.17Å; L314-V317 VanDerWaalsContact O-CG2 3.24Å; L314-V317 WeakPolarHBondContact O-CG2 3.49Å; L314-V317 PolarHBondContact O-N 3.04Å; L314-V317 VanDerWaalsContact O-N 3.16Å; L314-I318 HydrophobicContact CB-CD1 4.41Å; L314-I318 HydrophobicContact CD2-CD1 4.35Å; L314-I318 HydrophobicContact CG-CD1 4.45Å; L314-I318 WeakPolarHBondContact O-CG1 3.39Å; L314-I318 PolarHBondContact O-N 3.04Å |
| 315 | A | 97 | Very high | 97.2 | Very high | 33 Ų | 33 | 45 Ų | 45 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -62.6 | -28.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S10 A11 T313 V317 | S10-A315 CarbonylContact C-O 3.49Å; S10-A315 VanDerWaalsContact CB-O 3.23Å; S10-A315 WeakPolarHBondContact CB-O 3.37Å; S10-A315 PolarHBondContact OG-O 3.44Å; A11-A315 PolarHBondContact N-O 3.04Å; T313-A315 PolarHBondContact O-N 3.26Å; A315-V317 PolarHBondContact O-N 2.86Å |
| 316 | E | 98.1 | Very high | 97.1 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -75.8 | -8.3 | 179.8 | -69.7 | 172.9 | 107.4 | 0 | 0 | 113.9 | A11 N15 A311 E312 T313 L314 | A11-E316 WeakPolarHBondContact CB-O 3.39Å; N15-E316 PolarHBondContact ND2-O 3.47Å; A311-E316 HydrophobicContact CB-CB 3.96Å; E312-E316 PolarHBondContact N-OE2 3.19Å; T313-E316 PolarHBondContact N-OE2 2.9Å; T313-E316 PolarHBondContact O-N 3.41Å; T313-E316 WeakPolarHBondContact OG1-CG 3.37Å; T313-E316 PolarHBondContact OG1-OE2 3.38Å; L314-E316 PolarHBondContact O-N 3.17Å |
| 317 | V | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 1.3 | 178.8 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | R19 V305 M306 L309 A311 L314 A315 | R19-V317 WeakPolarHBondContact CD-O 3.49Å; R19-V317 PolarHBondContact NH1-O 3.44Å; V305-V317 HydrophobicContact CG1-CB 3.94Å; V305-V317 HydrophobicContact CG1-CG1 3.98Å; M306-V317 HydrophobicContact CB-CG1 4.39Å; M306-V317 HydrophobicContact CB-CG2 4.14Å; L309-V317 HydrophobicContact CD1-CG1 4.2Å; A311-V317 HydrophobicContact CB-CG1 3.84Å; L314-V317 VanDerWaalsContact O-CG2 3.24Å; L314-V317 WeakPolarHBondContact O-CG2 3.49Å; L314-V317 PolarHBondContact O-N 3.04Å; L314-V317 VanDerWaalsContact O-N 3.16Å; A315-V317 PolarHBondContact O-N 2.86Å |
| 318 | I | 98.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -105.2 | 137.4 | 171.9 | -66.5 | 174.1 | 0 | 0 | 0 | 108.3 | S10 A11 N109 L314 F320 | S10-I318 PolarHBondContact OG-O 3.36Å; A11-I318 WeakPolarHBondContact CB-O 3.45Å; A11-I318 PolarHBondContact N-O 3.4Å; N109-I318 HydrophobicContact CB-CD1 3.87Å; L314-I318 HydrophobicContact CB-CD1 4.41Å; L314-I318 HydrophobicContact CD2-CD1 4.35Å; L314-I318 HydrophobicContact CG-CD1 4.45Å; L314-I318 WeakPolarHBondContact O-CG1 3.39Å; L314-I318 PolarHBondContact O-N 3.04Å; I318-F320 VanDerWaalsContact CG2-O 3.26Å; I318-F320 WeakPolarHBondContact CG2-O 3.37Å; I318-F320 PolarHBondContact O-N 3.11Å |
| 319 | A | 98.3 | Very high | 96.8 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 31% | 0.306 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -59.3 | -48.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | P9 S10 L16 | P9-A319 CarbonylContact C-O 3.56Å; P9-A319 WeakPolarHBondContact CA-O 3.43Å; P9-A319 WeakPolarHBondContact CB-O 3.49Å; S10-A319 PolarHBondContact N-O 3.34Å; S10-A319 PolarHBondContact OG-O 2.96Å; L16-A319 HydrophobicContact CD1-CB 4.26Å; L16-A319 HydrophobicContact CD2-CB 4.08Å |
| 320 | F | 98 | Very high | 96.7 | Very high | 95 Ų | 95 | 53.1 Ų | 53.1 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -134.4 | 110.2 | 174.7 | -60 | -86 | 0 | 0 | 0 | 108.5 | P9 I318 R324 | P9-F320 HydrophobicContact CB-CE1 4.28Å; P9-F320 HydrophobicContact CB-CZ 4.38Å; I318-F320 VanDerWaalsContact CG2-O 3.26Å; I318-F320 WeakPolarHBondContact CG2-O 3.37Å; I318-F320 PolarHBondContact O-N 3.11Å; F320-R324 HydrophobicContact CD1-CB 4.39Å |
| 321 | S | 95.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | trans | -66.5 | 165.3 | 169.1 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | S10 D323 R324 A325 | S10-S321 WeakPolarHBondContact CB-OG 3.47Å; S10-S321 PolarHBondContact OG-N 3.44Å; S321-D323 WeakPolarHBondContact CB-OD1 3.43Å; S321-D323 PolarHBondContact O-N 3.1Å; S321-D323 VanDerWaalsContact O-N 3.08Å; S321-D323 PolarHBondContact OG-OD1 3.18Å; S321-R324 CarbonylContact O-C 3.53Å; S321-R324 WeakPolarHBondContact O-CA 3.38Å; S321-R324 PolarHBondContact O-N 3.49Å; S321-A325 PolarHBondContact O-N 2.74Å | ||
| 322 | V | 94.9 | Very high | 96.5 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 42% | 0.418 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.3 | -175.4 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | M104 N109 P110 R324 | M104-V322 HydrophobicContact CG-CG1 4.36Å; M104-V322 HydrophobicContact SD-CG1 3.99Å; N109-V322 PolarHBondContact OD1-N 2.93Å; P110-V322 HydrophobicContact CG-CB 4.43Å; P110-V322 HydrophobicContact CG-CG2 4.2Å; V322-R324 PolarHBondContact O-N 2.84Å |
| 323 | D | 93.2 | Very high | 96.5 | Very high | 113 Ų | 113 | 50.5 Ų | 50.5 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.7 | 175.6 | 57.8 | -62.8 | 0 | 0 | 0 | 114.1 | S321 | S321-D323 WeakPolarHBondContact CB-OD1 3.43Å; S321-D323 PolarHBondContact O-N 3.1Å; S321-D323 VanDerWaalsContact O-N 3.08Å; S321-D323 PolarHBondContact OG-OD1 3.18Å |
| 324 | R | 94.8 | Very high | 96.4 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 0.9 | -176.7 | -64.7 | 175.8 | 177.9 | -104.7 | -8.5 | 114.5 | T4 A5 Q8 F320 S321 V322 | T4-R324 PolarHBondContact O-NH1 2.83Å; T4-R324 PolarHBondContact O-NH2 3.5Å; T4-R324 PolarHBondContact OG1-NH1 3.34Å; T4-R324 PolarHBondContact OG1-NH2 3.02Å; T4-R324 VanDerWaalsContact OG1-NH2 3.11Å; A5-R324 PolarHBondContact O-NH1 3.46Å; Q8-R324 PolarHBondContact O-NH1 3.2Å; F320-R324 HydrophobicContact CD1-CB 4.39Å; S321-R324 CarbonylContact O-C 3.53Å; S321-R324 WeakPolarHBondContact O-CA 3.38Å; S321-R324 PolarHBondContact O-N 3.49Å; V322-R324 PolarHBondContact O-N 2.84Å |
| 325 | A | 92.2 | Very high | 96.3 | Very high | 120 Ų | 120 | 54.8 Ų | 54.8 | 99% | 0.992 | 33% | 0.33 | S | S | * | . | trans | -73.8 | 0 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | S321 | S321-A325 PolarHBondContact O-N 2.74Š|
Retrieved 325 of 325 residues in 62.4 ms
(Link to these results)