| 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 | 51.9 | Low | 89.5 | Confident | 228 Ų | 228 | 90.1 Ų | 90.1 | 100% | 1.123 | 45% | 0.445 | S | S | * | . | 0 | 142.7 | 0 | -75 | 177.1 | -174.2 | 0 | 0 | 108.2 | |||||
| 2 | K | 78.1 | Confident | 90 | Very high | 201 Ų | 201 | 92.4 Ų | 92.4 | 87% | 0.874 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -71 | 138.9 | 172.5 | -168.7 | 175.7 | -179.9 | 178.8 | 0 | 108.6 | ||
| 3 | S | 88.7 | Confident | 90.5 | Very high | 34 Ų | 34 | 97.7 Ų | 97.7 | 24% | 0.238 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 149.7 | 175.2 | 45 | 0 | 0 | 0 | 0 | 111.4 | W129 | S3-W129 CarbonylContact C-O 3.06Å; S3-W129 WeakPolarHBondContact CA-O 3.24Å; S3-W129 WeakPolarHBondContact CB-O 3.48Å |
| 4 | Q | 93.5 | Very high | 91 | Very high | 117 Ų | 117 | 93.6 Ų | 93.6 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.7 | 178.9 | -64.9 | -174.7 | 2.2 | 0 | 0 | 110.2 | F6 W129 V130 D131 | Q4-F6 PolarHBondContact O-N 3.44Å; Q4-W129 PolarHBondContact N-O 2.78Å; Q4-V130 CarbonylContact O-C 3.57Å; Q4-V130 WeakPolarHBondContact O-CA 3.43Å; Q4-D131 PolarHBondContact O-N 2.8Å |
| 5 | P | 96.3 | Very high | 91.4 | Very high | 61 Ų | 61 | 89.7 Ų | 89.7 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 122.4 | 178 | -22.6 | 33.8 | 0 | 0 | 0 | 112.5 | R7 N8 | P5-R7 PolarHBondContact O-N 2.83Å; P5-N8 PolarHBondContact O-N 2.92Å |
| 6 | F | 95.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 94.5 Ų | 94.5 | 16% | 0.162 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -66.7 | 129.3 | 172.5 | -173.3 | -116.1 | 0 | 0 | 0 | 110 | Q4 N8 Q9 V130 D131 V132 K167 L168 | Q4-F6 PolarHBondContact O-N 3.44Å; F6-N8 PolarHBondContact O-N 3.42Å; F6-N8 VanDerWaalsContact O-N 3.07Å; F6-Q9 PolarHBondContact O-N 3.49Å; F6-V130 HydrophobicContact CB-CG1 3.72Å; F6-V130 HydrophobicContact CD2-CG1 3.96Å; F6-V130 HydrophobicContact CG-CG1 4.24Å; F6-D131 WeakPolarHBondContact CB-O 3.43Å; F6-D131 PolarHBondContact N-O 2.82Å; F6-V132 HydrophobicContact CB-CG2 4.04Å; F6-V132 HydrophobicContact CD1-CG1 4.24Å; F6-V132 HydrophobicContact CG-CG2 4.29Å; F6-K167 HydrophobicContact CD1-CD 4.48Å; F6-K167 HydrophobicContact CD1-CG 4.3Å; F6-K167 HydrophobicContact CE1-CD 4.46Å; F6-K167 HydrophobicContact CE1-CG 3.86Å; F6-L168 HydrophobicContact CD2-CD1 3.89Å; F6-L168 HydrophobicContact CE2-CD1 3.8Å; F6-L168 HydrophobicContact CZ-CD1 4.33Å |
| 7 | R | 94.5 | Very high | 92.1 | Very high | 100 Ų | 100 | 95.2 Ų | 95.2 | 38% | 0.377 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | 47.5 | 37.4 | -176.9 | -56.5 | -169.3 | -168.4 | 170.1 | 7.4 | 113.5 | P5 Q9 E29 | P5-R7 PolarHBondContact O-N 2.83Å; R7-Q9 PolarHBondContact O-N 3.11Å; R7-Q9 VanDerWaalsContact O-N 3.13Å; R7-E29 HydrophobicContact CB-CG 4.24Å; R7-E29 WeakPolarHBondContact CD-OE2 3.25Å; R7-E29 IonicContact CZ-OE2 2.79Å; R7-E29 IonicContact NE-OE2 3.9Å; R7-E29 PolarHBondContact NH1-O 3.44Å; R7-E29 IonicContact NH1-OE2 2.7Å; R7-E29 PolarHBondContact NH1-OE2 3.27Å |
| 8 | N | 94.7 | Very high | 92.4 | Very high | 153 Ų | 153 | 91 Ų | 91 | 82% | 0.818 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | 61.8 | 13.4 | 179.2 | -55.9 | -52.9 | 0 | 0 | 0 | 115.7 | P5 F6 S10 | P5-N8 PolarHBondContact O-N 2.92Å; F6-N8 PolarHBondContact O-N 3.42Å; F6-N8 VanDerWaalsContact O-N 3.07Å; N8-S10 PolarHBondContact O-N 2.95Å |
| 9 | Q | 97.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 89.2 Ų | 89.2 | 11% | 0.112 | 43% | 0.425 | C | S | . | . | trans | -82.9 | 104.7 | 177 | -71.8 | 175.6 | -51 | 0 | 0 | 111 | F6 R7 L14 D27 E29 V133 | F6-Q9 PolarHBondContact O-N 3.49Å; R7-Q9 PolarHBondContact O-N 3.11Å; R7-Q9 VanDerWaalsContact O-N 3.13Å; Q9-L14 HydrophobicContact CB-CD1 3.86Å; Q9-L14 HydrophobicContact CG-CD1 4.18Å; Q9-D27 PolarHBondContact NE2-OD1 3.14Å; Q9-E29 HydrophobicContact CG-CG 4.33Å; Q9-V133 HydrophobicContact CB-CB 4.17Å; Q9-V133 HydrophobicContact CB-CG2 4.13Å; Q9-V133 WeakPolarHBondContact O-CG2 3.44Å | ||
| 10 | S | 96.6 | Very high | 92.7 | Very high | 34 Ų | 34 | 94.1 Ų | 94.1 | 24% | 0.238 | 44% | 0.444 | C | S | . | . | trans | -90.6 | 113.6 | 176 | 176.7 | 0 | 0 | 0 | 0 | 111 | N8 K12 K13 L14 | N8-S10 PolarHBondContact O-N 2.95Å; S10-K12 PolarHBondContact O-N 3.22Å; S10-K13 PolarHBondContact O-N 3.2Å; S10-K13 VanDerWaalsContact O-N 3.15Å; S10-L14 WeakPolarHBondContact O-CG 3.46Å; S10-L14 PolarHBondContact O-N 3.11Å | ||
| 11 | Y | 97.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 93.5 Ų | 93.5 | 1% | 0.008 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -47.8 | -56.5 | 178.9 | 175.3 | -107 | 0 | 0 | 0 | 112.7 | K13 L14 R15 I118 H120 | Y11-K13 VanDerWaalsContact C-N 3.3Å; Y11-K13 PolarHBondContact O-N 2.75Å; Y11-L14 PolarHBondContact O-N 2.94Å; Y11-R15 VanDerWaalsContact O-CB 3.26Å; Y11-R15 WeakPolarHBondContact O-CB 3.45Å; Y11-R15 PolarHBondContact O-N 3.27Å; Y11-R15 VanDerWaalsContact OH-CD 3.29Å; Y11-R15 WeakPolarHBondContact OH-CD 3.4Å; Y11-I118 HydrophobicContact CD2-CD1 4.23Å; Y11-I118 HydrophobicContact CD2-CG1 4.04Å; Y11-I118 HydrophobicContact CE2-CG1 4.14Å; Y11-I118 HydrophobicContact CE2-CG2 4.09Å; Y11-H120 VanDerWaalsContact CB-ND1 3.31Å; Y11-H120 WeakPolarHBondContact CB-ND1 3.19Å; Y11-H120 AromaticContact CD1-CD2 3.95Å; Y11-H120 AromaticContact CD1-CE1 3.52Å; Y11-H120 AromaticContact CD1-CG 3.99Å; Y11-H120 AromaticContact CD1-ND1 3.76Å; Y11-H120 AromaticContact CD1-NE2 3.62Å; Y11-H120 HydrophobicContact CD2-CB 3.84Å; Y11-H120 AromaticContact CD2-CG 3.74Å; Y11-H120 AromaticContact CE1-NE2 3.85Å; Y11-H120 HydrophobicContact CG-CB 4.03Å; Y11-H120 AromaticContact CG-CD2 3.91Å; Y11-H120 AromaticContact CG-CE1 3.76Å; Y11-H120 AromaticContact CG-CG 3.54Å; Y11-H120 AromaticContact CG-ND1 3.49Å |
| 12 | K | 95.5 | Very high | 94.9 | Very high | 118 Ų | 118 | 92 Ų | 92 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.1 | -35.6 | -176.8 | -63.1 | -168.6 | 178.7 | -166.3 | 0 | 113.3 | S10 K16 D101 | S10-K12 PolarHBondContact O-N 3.22Å; K12-K16 VanDerWaalsContact O-CB 3.28Å; K12-K16 WeakPolarHBondContact O-CB 3.36Å; K12-K16 PolarHBondContact O-N 2.85Å; K12-D101 WeakPolarHBondContact CE-OD2 3.5Å; K12-D101 IonicContact NZ-OD1 3.24Å; K12-D101 IonicContact NZ-OD2 2.81Å; K12-D101 PolarHBondContact NZ-OD2 2.97Å; K12-D101 VanDerWaalsContact NZ-OD2 3.13Å |
| 13 | K | 96.9 | Very high | 95.8 | Very high | 161 Ų | 161 | 87.9 Ų | 87.9 | 70% | 0.7 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -71.9 | -49 | 177.5 | -68.7 | -175.3 | -179 | 179.9 | 0 | 111.1 | S10 Y11 K16 Q17 | S10-K13 PolarHBondContact O-N 3.2Å; S10-K13 VanDerWaalsContact O-N 3.15Å; Y11-K13 VanDerWaalsContact C-N 3.3Å; Y11-K13 PolarHBondContact O-N 2.75Å; K13-K16 PolarHBondContact O-N 3Å; K13-Q17 PolarHBondContact O-N 3.22Å |
| 14 | L | 97.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 90.2 Ų | 90.2 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 179.6 | -71.4 | 170.4 | 0 | 0 | 0 | 110.9 | Q9 S10 Y11 K16 Q17 L18 F25 I118 V133 | Q9-L14 HydrophobicContact CB-CD1 3.86Å; Q9-L14 HydrophobicContact CG-CD1 4.18Å; S10-L14 WeakPolarHBondContact O-CG 3.46Å; S10-L14 PolarHBondContact O-N 3.11Å; Y11-L14 PolarHBondContact O-N 2.94Å; L14-K16 PolarHBondContact O-N 3.1Å; L14-Q17 WeakPolarHBondContact O-CB 3.27Å; L14-Q17 PolarHBondContact O-N 2.82Å; L14-Q17 VanDerWaalsContact O-N 3.12Å; L14-L18 WeakPolarHBondContact O-CB 3.3Å; L14-L18 WeakPolarHBondContact O-CD1 3.43Å; L14-L18 VanDerWaalsContact O-CG 3.25Å; L14-L18 WeakPolarHBondContact O-CG 3.31Å; L14-L18 PolarHBondContact O-N 3.22Å; L14-F25 HydrophobicContact CD1-CE2 4.22Å; L14-F25 HydrophobicContact CD1-CZ 4.21Å; L14-I118 HydrophobicContact CB-CD1 3.59Å; L14-I118 HydrophobicContact CD1-CD1 4.37Å; L14-V133 HydrophobicContact CD1-CG1 4.19Å |
| 15 | R | 96.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 85.3 Ų | 85.3 | 13% | 0.132 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.7 | -48.9 | 176.8 | -176.7 | 171.1 | -178.5 | -111.1 | 2.5 | 111.8 | Y11 Q17 L18 L19 E104 I118 | Y11-R15 VanDerWaalsContact O-CB 3.26Å; Y11-R15 WeakPolarHBondContact O-CB 3.45Å; Y11-R15 PolarHBondContact O-N 3.27Å; Y11-R15 VanDerWaalsContact OH-CD 3.29Å; Y11-R15 WeakPolarHBondContact OH-CD 3.4Å; R15-Q17 VanDerWaalsContact C-N 3.29Å; R15-Q17 PolarHBondContact O-N 3.14Å; R15-L18 PolarHBondContact O-N 3.2Å; R15-L19 HydrophobicContact CG-CD1 4.06Å; R15-L19 HydrophobicContact CG-CG 4.35Å; R15-L19 WeakPolarHBondContact O-CB 3.44Å; R15-L19 VanDerWaalsContact O-CG 3.25Å; R15-L19 WeakPolarHBondContact O-CG 3.47Å; R15-L19 PolarHBondContact O-N 3.47Å; R15-E104 IonicContact NH1-OE2 2.86Å; R15-E104 PolarHBondContact NH1-OE2 3.33Å; R15-E104 VanDerWaalsContact NH1-OE2 3.11Å; R15-E104 PolarHBondContact NH2-O 2.82Å; R15-I118 HydrophobicContact CB-CG2 4.11Å; R15-I118 HydrophobicContact CG-CG2 4.19Å |
| 16 | K | 96.5 | Very high | 96.5 | Very high | 167 Ų | 167 | 85.4 Ų | 85.4 | 73% | 0.726 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.3 | -41.4 | 177.8 | -176.2 | 179.2 | -179 | 179 | 0 | 112.3 | K12 K13 L14 K20 | K12-K16 VanDerWaalsContact O-CB 3.28Å; K12-K16 WeakPolarHBondContact O-CB 3.36Å; K12-K16 PolarHBondContact O-N 2.85Å; K13-K16 PolarHBondContact O-N 3Å; L14-K16 PolarHBondContact O-N 3.1Å; K16-K20 PolarHBondContact O-N 3.27Å |
| 17 | Q | 97.5 | Very high | 96.6 | Very high | 106 Ų | 106 | 83.6 Ų | 83.6 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.7 | -47.9 | 177.6 | -179.2 | 178.8 | -6.7 | 0 | 0 | 111.6 | K13 L14 R15 L19 K20 E21 | K13-Q17 PolarHBondContact O-N 3.22Å; L14-Q17 WeakPolarHBondContact O-CB 3.27Å; L14-Q17 PolarHBondContact O-N 2.82Å; L14-Q17 VanDerWaalsContact O-N 3.12Å; R15-Q17 VanDerWaalsContact C-N 3.29Å; R15-Q17 PolarHBondContact O-N 3.14Å; Q17-L19 VanDerWaalsContact C-N 3.35Å; Q17-L19 PolarHBondContact O-N 2.63Å; Q17-K20 WeakPolarHBondContact O-CB 3.47Å; Q17-K20 PolarHBondContact O-N 2.78Å; Q17-K20 VanDerWaalsContact O-N 3.14Å; Q17-E21 HydrophobicContact CG-CG 4.46Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.47Å; Q17-E21 PolarHBondContact NE2-OE1 3.33Å; Q17-E21 WeakPolarHBondContact O-CG 3.48Å; Q17-E21 PolarHBondContact O-N 3.5Å |
| 18 | L | 97.4 | Very high | 96.7 | Very high | 20 Ų | 20 | 85.7 Ų | 85.7 | 11% | 0.105 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | -179.9 | -70.9 | 161.1 | 0 | 0 | 0 | 112.3 | L14 R15 K20 E21 K22 K23 F25 C116 I118 | L14-L18 WeakPolarHBondContact O-CB 3.3Å; L14-L18 WeakPolarHBondContact O-CD1 3.43Å; L14-L18 VanDerWaalsContact O-CG 3.25Å; L14-L18 WeakPolarHBondContact O-CG 3.31Å; L14-L18 PolarHBondContact O-N 3.22Å; R15-L18 PolarHBondContact O-N 3.2Å; L18-K20 VanDerWaalsContact C-N 3.35Å; L18-K20 PolarHBondContact O-N 2.52Å; L18-E21 CarbonylContact O-C 3.58Å; L18-E21 PolarHBondContact O-N 3.07Å; L18-K22 WeakPolarHBondContact O-CA 3.37Å; L18-K22 PolarHBondContact O-N 3.12Å; L18-K23 HydrophobicContact CD2-CB 4.21Å; L18-K23 PolarHBondContact O-N 3.27Å; L18-K23 VanDerWaalsContact O-N 3.11Å; L18-F25 HydrophobicContact CD1-CB 3.61Å; L18-F25 HydrophobicContact CD1-CD2 3.82Å; L18-F25 HydrophobicContact CD1-CG 3.94Å; L18-F25 HydrophobicContact CD2-CB 4.31Å; L18-F25 HydrophobicContact CD2-CD2 4.42Å; L18-C116 HydrophobicContact CB-CB 3.88Å; L18-I118 HydrophobicContact CD1-CB 4.2Å; L18-I118 HydrophobicContact CD1-CD1 3.84Å; L18-I118 HydrophobicContact CD1-CG2 4.19Å |
| 19 | L | 95.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 82 Ų | 82 | 29% | 0.293 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.2 | -68.8 | 179.4 | 0 | 0 | 0 | 112.4 | R15 Q17 K22 Q113 K114 C116 | R15-L19 HydrophobicContact CG-CD1 4.06Å; R15-L19 HydrophobicContact CG-CG 4.35Å; R15-L19 WeakPolarHBondContact O-CB 3.44Å; R15-L19 VanDerWaalsContact O-CG 3.25Å; R15-L19 WeakPolarHBondContact O-CG 3.47Å; R15-L19 PolarHBondContact O-N 3.47Å; Q17-L19 VanDerWaalsContact C-N 3.35Å; Q17-L19 PolarHBondContact O-N 2.63Å; L19-K22 PolarHBondContact O-N 3.42Å; L19-Q113 WeakPolarHBondContact CD2-O 3.44Å; L19-K114 WeakPolarHBondContact CD2-O 3.4Å; L19-C116 HydrophobicContact CD2-CB 4.27Å |
| 20 | K | 96.4 | Very high | 96.8 | Very high | 188 Ų | 188 | 81 Ų | 81 | 82% | 0.817 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 175.5 | -177.3 | -176 | 175.4 | -173 | 0 | 111.6 | K16 Q17 L18 K22 | K16-K20 PolarHBondContact O-N 3.27Å; Q17-K20 WeakPolarHBondContact O-CB 3.47Å; Q17-K20 PolarHBondContact O-N 2.78Å; Q17-K20 VanDerWaalsContact O-N 3.14Å; L18-K20 VanDerWaalsContact C-N 3.35Å; L18-K20 PolarHBondContact O-N 2.52Å; K20-K22 VanDerWaalsContact C-N 3.34Å |
| 21 | E | 96.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 81.4 Ų | 81.4 | 38% | 0.383 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -82.6 | -9.7 | -179.1 | -67.7 | -177.3 | -153 | 0 | 0 | 113.6 | Q17 L18 K23 | Q17-E21 HydrophobicContact CG-CG 4.46Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.47Å; Q17-E21 PolarHBondContact NE2-OE1 3.33Å; Q17-E21 WeakPolarHBondContact O-CG 3.48Å; Q17-E21 PolarHBondContact O-N 3.5Å; L18-E21 CarbonylContact O-C 3.58Å; L18-E21 PolarHBondContact O-N 3.07Å; E21-K23 VanDerWaalsContact C-N 3.29Å; E21-K23 HydrophobicContact CB-CB 4.47Å; E21-K23 HydrophobicContact CB-CD 4.1Å; E21-K23 HydrophobicContact CB-CG 4.08Å; E21-K23 PolarHBondContact O-N 2.87Å; E21-K23 WeakPolarHBondContact OE2-CD 3.41Å; E21-K23 WeakPolarHBondContact OE2-CE 3.44Å; E21-K23 IonicContact OE2-NZ 2.78Å; E21-K23 PolarHBondContact OE2-NZ 2.82Å |
| 22 | K | 94.9 | Very high | 96.9 | Very high | 195 Ų | 195 | 83.1 Ų | 83.1 | 85% | 0.848 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 44.7 | -172.3 | -58.1 | -177 | 178.8 | -177 | 0 | 112.6 | L18 L19 K20 | L18-K22 WeakPolarHBondContact O-CA 3.37Å; L18-K22 PolarHBondContact O-N 3.12Å; L19-K22 PolarHBondContact O-N 3.42Å; K20-K22 VanDerWaalsContact C-N 3.34Å |
| 23 | K | 96.4 | Very high | 97 | Very high | 116 Ų | 116 | 80.4 Ų | 80.4 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | trans | -115.5 | 148.4 | 179.8 | -69.8 | 179.8 | -171.7 | 160.9 | 0 | 111.5 | L18 E21 C116 | L18-K23 HydrophobicContact CD2-CB 4.21Å; L18-K23 PolarHBondContact O-N 3.27Å; L18-K23 VanDerWaalsContact O-N 3.11Å; E21-K23 VanDerWaalsContact C-N 3.29Å; E21-K23 HydrophobicContact CB-CB 4.47Å; E21-K23 HydrophobicContact CB-CD 4.1Å; E21-K23 HydrophobicContact CB-CG 4.08Å; E21-K23 PolarHBondContact O-N 2.87Å; E21-K23 WeakPolarHBondContact OE2-CD 3.41Å; E21-K23 WeakPolarHBondContact OE2-CE 3.44Å; E21-K23 IonicContact OE2-NZ 2.78Å; E21-K23 PolarHBondContact OE2-NZ 2.82Å; K23-C116 WeakPolarHBondContact O-CB 3.41Å | ||
| 24 | L | 97 | Very high | 97 | Very high | 82 Ų | 82 | 74.4 Ų | 74.4 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | trans | -78.7 | 142.2 | 166.7 | -59.2 | -180 | 0 | 0 | 0 | 110 | Y115 C116 | L24-Y115 HydrophobicContact CD2-CD1 3.85Å; L24-Y115 HydrophobicContact CD2-CE1 3.43Å; L24-Y115 VanDerWaalsContact CD2-CE1 3.43Å; L24-C116 CarbonylContact C-O 3.53Å | ||
| 25 | F | 98 | Very high | 96.8 | Very high | 15 Ų | 15 | 74.1 Ų | 74.1 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | trans | -70.6 | 137.8 | 175.7 | -171.2 | -130.3 | 0 | 0 | 0 | 110.4 | L14 L18 D27 R51 C116 I118 V133 D135 | L14-F25 HydrophobicContact CD1-CE2 4.22Å; L14-F25 HydrophobicContact CD1-CZ 4.21Å; L18-F25 HydrophobicContact CD1-CB 3.61Å; L18-F25 HydrophobicContact CD1-CD2 3.82Å; L18-F25 HydrophobicContact CD1-CG 3.94Å; L18-F25 HydrophobicContact CD2-CB 4.31Å; L18-F25 HydrophobicContact CD2-CD2 4.42Å; F25-D27 HydrophobicContact CD1-CB 4.46Å; F25-D27 HydrophobicContact CE1-CB 3.71Å; F25-D27 HydrophobicContact CZ-CB 3.98Å; F25-R51 PolarHBondContact O-NH1 3.39Å; F25-R51 PolarHBondContact O-NH2 2.79Å; F25-C116 WeakPolarHBondContact CB-O 3.44Å; F25-C116 PolarHBondContact N-O 2.9Å; F25-I118 HydrophobicContact CB-CB 3.81Å; F25-I118 HydrophobicContact CB-CG1 4.38Å; F25-I118 HydrophobicContact CD1-CB 3.87Å; F25-I118 HydrophobicContact CD1-CD1 3.97Å; F25-I118 HydrophobicContact CD1-CG1 3.59Å; F25-I118 HydrophobicContact CD2-CD1 4.33Å; F25-I118 HydrophobicContact CE1-CD1 4.22Å; F25-I118 HydrophobicContact CE1-CG1 4.05Å; F25-I118 HydrophobicContact CG-CB 4.01Å; F25-I118 HydrophobicContact CG-CD1 4.05Å; F25-I118 HydrophobicContact CG-CG1 4.02Å; F25-V133 HydrophobicContact CE1-CG1 3.71Å; F25-V133 HydrophobicContact CZ-CG1 4.05Å; F25-D135 HydrophobicContact CB-CB 4.35Å; F25-D135 HydrophobicContact CD1-CB 3.61Å; F25-D135 HydrophobicContact CE1-CB 4.25Å; F25-D135 HydrophobicContact CG-CB 4.28Å; F25-D135 WeakPolarHBondContact O-CB 3.49Å | ||
| 26 | T | 98.1 | Very high | 96.9 | Very high | 62 Ų | 62 | 72.6 Ų | 72.6 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | trans | -128.7 | 122.3 | 163.6 | -62.3 | 0 | 0 | 0 | 0 | 106.9 | L28 P32 D135 L137 | T26-L28 PolarHBondContact O-N 3.49Å; T26-P32 HydrophobicContact CG2-CG 4.47Å; T26-D135 VanDerWaalsContact CA-OD2 3.31Å; T26-D135 WeakPolarHBondContact CA-OD2 3.44Å; T26-L137 HydrophobicContact CG2-CD1 4.46Å | ||
| 27 | D | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -84.4 | 96.1 | -171 | -173.6 | 5.8 | 0 | 0 | 0 | 110.7 | Q9 F25 E29 F30 P31 D135 K167 | Q9-D27 PolarHBondContact NE2-OD1 3.14Å; F25-D27 HydrophobicContact CD1-CB 4.46Å; F25-D27 HydrophobicContact CE1-CB 3.71Å; F25-D27 HydrophobicContact CZ-CB 3.98Å; D27-E29 PolarHBondContact O-N 3.12Å; D27-E29 WeakPolarHBondContact OD1-CB 3.48Å; D27-E29 PolarHBondContact OD1-N 2.86Å; D27-F30 CarbonylContact O-C 3.47Å; D27-F30 PolarHBondContact O-N 3Å; D27-P31 WeakPolarHBondContact O-CA 3.47Å; D27-P31 VanDerWaalsContact O-N 3.15Å; D27-D135 HydrophobicContact CB-CB 4.2Å; D27-D135 WeakPolarHBondContact CB-OD2 3.25Å; D27-D135 PolarHBondContact N-OD2 3.19Å; D27-K167 IonicContact OD1-NZ 3.7Å; D27-K167 PolarHBondContact OD1-NZ 3.32Å; D27-K167 WeakPolarHBondContact OD2-CD 3.48Å; D27-K167 WeakPolarHBondContact OD2-CE 3.38Å; D27-K167 IonicContact OD2-NZ 3.03Å; D27-K167 PolarHBondContact OD2-NZ 2.76Å | ||
| 28 | L | 96.6 | Very high | 96.8 | Very high | 144 Ų | 144 | 59.9 Ų | 59.9 | 75% | 0.754 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.3 | 179.8 | -58 | -179.1 | 0 | 0 | 0 | 113.3 | T26 F30 | T26-L28 PolarHBondContact O-N 3.49Å; L28-F30 VanDerWaalsContact C-N 3.32Å |
| 29 | E | 96.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 61.6 Ų | 61.6 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.8 | 176.2 | -67.5 | -60.1 | 150.5 | 0 | 0 | 112.7 | R7 Q9 D27 | R7-E29 HydrophobicContact CB-CG 4.24Å; R7-E29 WeakPolarHBondContact CD-OE2 3.25Å; R7-E29 IonicContact CZ-OE2 2.79Å; R7-E29 IonicContact NE-OE2 3.9Å; R7-E29 PolarHBondContact NH1-O 3.44Å; R7-E29 IonicContact NH1-OE2 2.7Å; R7-E29 PolarHBondContact NH1-OE2 3.27Å; Q9-E29 HydrophobicContact CG-CG 4.33Å; D27-E29 PolarHBondContact O-N 3.12Å; D27-E29 WeakPolarHBondContact OD1-CB 3.48Å; D27-E29 PolarHBondContact OD1-N 2.86Å |
| 30 | F | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -146.1 | 67.6 | 176 | -161.7 | -106 | 0 | 0 | 0 | 109.9 | D27 L28 S36 W49 K163 A166 K167 G170 Y172 | D27-F30 CarbonylContact O-C 3.47Å; D27-F30 PolarHBondContact O-N 3Å; L28-F30 VanDerWaalsContact C-N 3.32Å; F30-S36 VanDerWaalsContact CZ-O 3.31Å; F30-S36 WeakPolarHBondContact CZ-O 3.41Å; F30-W49 HydrophobicContact CE1-CH2 4.42Å; F30-K163 HydrophobicContact CD1-CG 4.24Å; F30-K163 HydrophobicContact CE1-CG 3.97Å; F30-A166 HydrophobicContact CZ-CB 3.88Å; F30-K167 HydrophobicContact CB-CB 4.11Å; F30-K167 HydrophobicContact CB-CD 3.64Å; F30-K167 HydrophobicContact CB-CG 3.8Å; F30-K167 HydrophobicContact CD1-CB 4.15Å; F30-K167 VanDerWaalsContact CD2-CA 3.49Å; F30-K167 HydrophobicContact CD2-CB 3.62Å; F30-K167 HydrophobicContact CD2-CG 3.88Å; F30-K167 HydrophobicContact CE1-CB 4.45Å; F30-K167 VanDerWaalsContact CE2-CA 3.42Å; F30-K167 HydrophobicContact CE2-CB 3.97Å; F30-K167 HydrophobicContact CG-CB 3.7Å; F30-K167 HydrophobicContact CG-CD 4.18Å; F30-K167 HydrophobicContact CG-CG 3.92Å; F30-K167 HydrophobicContact CZ-CB 4.36Å; F30-G170 WeakPolarHBondContact CE2-O 3.48Å; F30-Y172 HydrophobicContact CE1-CD2 4.33Å; F30-Y172 AromaticContact CE1-CE2 4Å; F30-Y172 HydrophobicContact CE1-CE2 4Å; F30-Y172 HydrophobicContact CZ-CD2 4.16Å; F30-Y172 HydrophobicContact CZ-CE2 4.27Å |
| 31 | P | 97.6 | Very high | 96.3 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -67 | 152.2 | -166.8 | 27.9 | -35.9 | 0 | 0 | 0 | 111.5 | D27 T33 S36 | D27-P31 WeakPolarHBondContact O-CA 3.47Å; D27-P31 VanDerWaalsContact O-N 3.15Å; P31-T33 HydrophobicContact CB-CG2 4.17Å; P31-T33 PolarHBondContact O-N 2.88Å; P31-S36 VanDerWaalsContact O-CB 3.25Å; P31-S36 WeakPolarHBondContact O-CB 3.39Å; P31-S36 PolarHBondContact O-OG 3.2Å | ||
| 32 | P | 97.5 | Very high | 96.2 | Very high | 38 Ų | 38 | 61.6 Ų | 61.6 | 25% | 0.247 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -72.4 | 64.9 | 178.7 | 33.7 | -39.8 | 0 | 0 | 0 | 111.3 | T26 W49 L137 | T26-P32 HydrophobicContact CG2-CG 4.47Å; P32-W49 VanDerWaalsContact C-CD1 3.49Å; P32-W49 VanDerWaalsContact C-CE2 3.44Å; P32-W49 VanDerWaalsContact CA-CD2 3.49Å; P32-W49 VanDerWaalsContact CA-CE2 3.48Å; P32-W49 HydrophobicContact CB-CB 3.76Å; P32-W49 HydrophobicContact CB-CD2 3.58Å; P32-W49 HydrophobicContact CB-CE3 3.91Å; P32-W49 HydrophobicContact CB-CG 3.52Å; P32-W49 VanDerWaalsContact O-CD1 3.28Å; P32-W49 PolarHBondContact O-NE1 2.7Å; P32-L137 HydrophobicContact CB-CB 4.17Å; P32-L137 HydrophobicContact CB-CD1 3.92Å; P32-L137 HydrophobicContact CG-CD1 3.78Å |
| 33 | T | 96.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -140.6 | 167.2 | -174.9 | 68.1 | 0 | 0 | 0 | 0 | 109.9 | P31 A35 S36 | P31-T33 HydrophobicContact CB-CG2 4.17Å; P31-T33 PolarHBondContact O-N 2.88Å; T33-A35 PolarHBondContact O-N 2.81Å; T33-A35 VanDerWaalsContact O-N 3.1Å; T33-S36 PolarHBondContact O-N 2.75Å |
| 34 | N | 96.7 | Very high | 95.8 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -21.5 | 178.7 | -67.5 | -10.6 | 0 | 0 | 0 | 113.7 | S36 L37 Y38 P41 R43 | N34-S36 PolarHBondContact O-N 3.24Å; N34-L37 PolarHBondContact O-N 2.71Å; N34-L37 VanDerWaalsContact O-N 3.12Å; N34-Y38 HydrophobicContact CB-CD2 4.08Å; N34-Y38 PolarHBondContact O-N 3.43Å; N34-P41 WeakPolarHBondContact CB-O 3.48Å; N34-R43 VanDerWaalsContact CG-O 3.23Å; N34-R43 PolarHBondContact ND2-O 2.54Å |
| 35 | A | 95.2 | Very high | 95.5 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -24.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T33 P41 | T33-A35 PolarHBondContact O-N 2.81Å; T33-A35 VanDerWaalsContact O-N 3.1Å; A35-P41 HydrophobicContact CB-CB 4.1Å; A35-P41 HydrophobicContact CB-CG 4.08Å |
| 36 | S | 97 | Very high | 95.3 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -89.2 | -16 | 175 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | F30 P31 T33 N34 C171 Y172 | F30-S36 VanDerWaalsContact CZ-O 3.31Å; F30-S36 WeakPolarHBondContact CZ-O 3.41Å; P31-S36 VanDerWaalsContact O-CB 3.25Å; P31-S36 WeakPolarHBondContact O-CB 3.39Å; P31-S36 PolarHBondContact O-OG 3.2Å; T33-S36 PolarHBondContact O-N 2.75Å; N34-S36 PolarHBondContact O-N 3.24Å; S36-C171 CarbonylContact O-C 3.56Å; S36-C171 WeakPolarHBondContact O-CA 3.2Å; S36-C171 VanDerWaalsContact O-CB 3.22Å; S36-C171 WeakPolarHBondContact O-CB 3.4Å; S36-Y172 WeakPolarHBondContact O-CD2 3.28Å; S36-Y172 PolarHBondContact O-N 3.44Å |
| 37 | L | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -90.4 | -46.8 | 176.3 | -61.2 | 175.9 | 0 | 0 | 0 | 111.5 | N34 V47 W49 P139 Y147 Y172 E173 | N34-L37 PolarHBondContact O-N 2.71Å; N34-L37 VanDerWaalsContact O-N 3.12Å; L37-V47 HydrophobicContact CD1-CB 3.81Å; L37-V47 HydrophobicContact CD1-CG1 3.66Å; L37-V47 HydrophobicContact CD1-CG2 4.24Å; L37-V47 HydrophobicContact CD2-CG1 4.5Å; L37-W49 HydrophobicContact CD1-CZ2 4.31Å; L37-W49 HydrophobicContact CD2-CH2 4.04Å; L37-W49 HydrophobicContact CD2-CZ2 3.56Å; L37-W49 HydrophobicContact CG-CZ2 3.71Å; L37-P139 HydrophobicContact CD2-CB 3.89Å; L37-P139 HydrophobicContact CD2-CG 3.61Å; L37-Y147 HydrophobicContact CD2-CE2 3.86Å; L37-Y172 HydrophobicContact CD2-CD2 3.88Å; L37-Y172 HydrophobicContact CD2-CE2 4.37Å; L37-E173 VanDerWaalsContact O-CB 3.31Å; L37-E173 WeakPolarHBondContact O-CB 3.49Å; L37-E173 PolarHBondContact O-N 2.84Å |
| 38 | Y | 95.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 61 Ų | 61 | 2% | 0.024 | 33% | 0.326 | C | S | . | . | trans | -129.4 | 158.2 | -161.9 | -50.9 | -63.5 | 0 | 0 | 0 | 112.7 | N34 D40 R43 E45 E173 | N34-Y38 HydrophobicContact CB-CD2 4.08Å; N34-Y38 PolarHBondContact O-N 3.43Å; Y38-D40 WeakPolarHBondContact CB-O 2.96Å; Y38-R43 HydrophobicContact CD1-CG 4.37Å; Y38-R43 HydrophobicContact CD2-CB 3.86Å; Y38-R43 HydrophobicContact CD2-CG 3.95Å; Y38-R43 HydrophobicContact CE1-CG 4.43Å; Y38-R43 HydrophobicContact CE2-CB 4.38Å; Y38-R43 HydrophobicContact CE2-CG 4.06Å; Y38-R43 HydrophobicContact CG-CB 4.11Å; Y38-R43 HydrophobicContact CG-CG 4.12Å; Y38-E45 PolarHBondContact OH-OE2 3.16Å; Y38-E173 WeakPolarHBondContact CA-OE2 3.33Å; Y38-E173 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 39 | F | 92.5 | Very high | 95.3 | Very high | 56 Ų | 56 | 56 Ų | 56 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -65.8 | -39.4 | 170.5 | -62.5 | -42 | 0 | 0 | 0 | 112.1 | P41 E173 S174 R419 R420 | F39-P41 WeakPolarHBondContact O-CD 3.3Å; F39-E173 HydrophobicContact CD2-CG 3.76Å; F39-E173 WeakPolarHBondContact CD2-OE1 3.41Å; F39-E173 HydrophobicContact CE2-CB 4.41Å; F39-E173 HydrophobicContact CE2-CG 3.61Å; F39-E173 HydrophobicContact CG-CG 4.31Å; F39-E173 HydrophobicContact CZ-CB 4.42Å; F39-E173 HydrophobicContact CZ-CG 4.05Å; F39-E173 PolarHBondContact N-OE2 3.19Å; F39-S174 WeakPolarHBondContact CE1-OG 3.49Å; F39-R419 HydrophobicContact CZ-CB 3.95Å; F39-R420 HydrophobicContact CB-CG 4.44Å; F39-R420 HydrophobicContact CD1-CB 3.52Å; F39-R420 HydrophobicContact CD1-CG 3.63Å; F39-R420 VanDerWaalsContact CE1-CA 3.43Å; F39-R420 HydrophobicContact CE1-CB 3.59Å; F39-R420 HydrophobicContact CE1-CG 4.24Å; F39-R420 HydrophobicContact CG-CB 4.44Å; F39-R420 HydrophobicContact CG-CG 4.29Å; F39-R420 PolarHBondContact O-NH2 2.98Å |
| 40 | D | 93.7 | Very high | 95.3 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -95.6 | 108.4 | 170.8 | -179 | 10.2 | 0 | 0 | 0 | 110.3 | Y38 K42 R43 | Y38-D40 WeakPolarHBondContact CB-O 2.96Å; D40-K42 PolarHBondContact O-N 3.03Å; D40-K42 WeakPolarHBondContact OD1-CB 3.46Å; D40-K42 PolarHBondContact OD1-N 3.19Å; D40-R43 WeakPolarHBondContact O-CB 3.46Å; D40-R43 PolarHBondContact O-N 2.73Å; D40-R43 VanDerWaalsContact O-N 3.11Å |
| 41 | P | 92.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.5 | 177.4 | -21.1 | 33.9 | 0 | 0 | 0 | 114.2 | N34 A35 F39 | N34-P41 WeakPolarHBondContact CB-O 3.48Å; A35-P41 HydrophobicContact CB-CB 4.1Å; A35-P41 HydrophobicContact CB-CG 4.08Å; F39-P41 WeakPolarHBondContact O-CD 3.3Å |
| 42 | K | 94.5 | Very high | 95.3 | Very high | 184 Ų | 184 | 53.4 Ų | 53.4 | 80% | 0.8 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -18.4 | 177.7 | -59.8 | 177.6 | -179.3 | 177.2 | 0 | 113 | D40 N44 | D40-K42 PolarHBondContact O-N 3.03Å; D40-K42 WeakPolarHBondContact OD1-CB 3.46Å; D40-K42 PolarHBondContact OD1-N 3.19Å; K42-N44 PolarHBondContact O-N 3.04Å |
| 43 | R | 93.9 | Very high | 95.2 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | trans | -60 | 120.9 | 175.7 | 179.8 | 173.2 | 177.1 | -171.9 | 1.5 | 109 | N34 Y38 D40 E45 E173 | N34-R43 VanDerWaalsContact CG-O 3.23Å; N34-R43 PolarHBondContact ND2-O 2.54Å; Y38-R43 HydrophobicContact CD1-CG 4.37Å; Y38-R43 HydrophobicContact CD2-CB 3.86Å; Y38-R43 HydrophobicContact CD2-CG 3.95Å; Y38-R43 HydrophobicContact CE1-CG 4.43Å; Y38-R43 HydrophobicContact CE2-CB 4.38Å; Y38-R43 HydrophobicContact CE2-CG 4.06Å; Y38-R43 HydrophobicContact CG-CB 4.11Å; Y38-R43 HydrophobicContact CG-CG 4.12Å; D40-R43 WeakPolarHBondContact O-CB 3.46Å; D40-R43 PolarHBondContact O-N 2.73Å; D40-R43 VanDerWaalsContact O-N 3.11Å; R43-E45 HydrophobicContact CG-CG 4.07Å; R43-E45 IonicContact CZ-OE1 2.94Å; R43-E45 IonicContact NE-OE1 3.71Å; R43-E45 PolarHBondContact NE-OE1 2.91Å; R43-E45 IonicContact NH2-OE1 3.22Å; R43-E45 PolarHBondContact NH2-OE1 2.86Å; R43-E45 IonicContact NH2-OE2 3.85Å; R43-E173 IonicContact NH1-OE1 3.96Å; R43-E173 IonicContact NH1-OE2 3.73Å | ||
| 44 | N | 90.2 | Very high | 95.2 | Very high | 122 Ų | 122 | 56 Ų | 56 | 65% | 0.652 | 30% | 0.3 | S | S | * | . | trans | -126.2 | 117.1 | 177 | -175.7 | 2.4 | 0 | 0 | 0 | 109.1 | K42 G46 | K42-N44 PolarHBondContact O-N 3.04Å; N44-G46 PolarHBondContact OD1-N 3Å | ||
| 45 | E | 90.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 56 Ų | 56 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | trans | -121.9 | 29.6 | 178.1 | -50 | -173.9 | 151.5 | 0 | 0 | 111.8 | Y38 R43 V47 R141 | Y38-E45 PolarHBondContact OH-OE2 3.16Å; R43-E45 HydrophobicContact CG-CG 4.07Å; R43-E45 IonicContact CZ-OE1 2.94Å; R43-E45 IonicContact NE-OE1 3.71Å; R43-E45 PolarHBondContact NE-OE1 2.91Å; R43-E45 IonicContact NH2-OE1 3.22Å; R43-E45 PolarHBondContact NH2-OE1 2.86Å; R43-E45 IonicContact NH2-OE2 3.85Å; E45-V47 VanDerWaalsContact C-N 3.33Å; E45-V47 PolarHBondContact O-N 3.15Å; E45-R141 PolarHBondContact O-NE 2.81Å; E45-R141 VanDerWaalsContact O-NE 3.12Å; E45-R141 PolarHBondContact O-NH2 3.02Å; E45-R141 VanDerWaalsContact O-NH2 3.16Å; E45-R141 IonicContact OE2-NH2 3.81Å; E45-R141 PolarHBondContact OE2-NH2 3.39Å | ||
| 46 | G | 93.2 | Very high | 95.2 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 52% | 0.515 | 29% | 0.292 | S | S | . | . | trans | 64.7 | 34.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N44 | N44-G46 PolarHBondContact OD1-N 3Š| ||
| 47 | V | 96.7 | Very high | 95 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | trans | -83.7 | 126.7 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | L37 E45 P139 T140 I146 | L37-V47 HydrophobicContact CD1-CB 3.81Å; L37-V47 HydrophobicContact CD1-CG1 3.66Å; L37-V47 HydrophobicContact CD1-CG2 4.24Å; L37-V47 HydrophobicContact CD2-CG1 4.5Å; E45-V47 VanDerWaalsContact C-N 3.33Å; E45-V47 PolarHBondContact O-N 3.15Å; V47-P139 HydrophobicContact CG1-CB 3.77Å; V47-T140 WeakPolarHBondContact CA-O 3.43Å; V47-I146 HydrophobicContact CG1-CD1 3.94Å; V47-I146 HydrophobicContact CG2-CD1 3.76Å | ||
| 48 | E | 97 | Very high | 94.8 | Very high | 97 Ų | 97 | 65 Ų | 65 | 45% | 0.453 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.9 | 177 | -64 | 179 | 169.1 | 0 | 0 | 110.2 | K50 T140 | E48-K50 WeakPolarHBondContact OE2-CE 3.25Å; E48-K50 IonicContact OE2-NZ 3.27Å; E48-K50 PolarHBondContact OE2-NZ 2.94Å; E48-T140 PolarHBondContact N-O 2.9Å; E48-T140 WeakPolarHBondContact O-CA 3.44Å; E48-T140 PolarHBondContact O-N 3.19Å; E48-T140 PolarHBondContact O-OG1 3.04Å |
| 49 | W | 98.2 | Very high | 94.8 | Very high | 39 Ų | 39 | 65.3 Ų | 65.3 | 15% | 0.148 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 118.1 | 175.4 | -68.5 | 85.8 | 0 | 0 | 0 | 110 | F30 P32 L37 L137 L138 P139 Y172 | F30-W49 HydrophobicContact CE1-CH2 4.42Å; P32-W49 VanDerWaalsContact C-CD1 3.49Å; P32-W49 VanDerWaalsContact C-CE2 3.44Å; P32-W49 VanDerWaalsContact CA-CD2 3.49Å; P32-W49 VanDerWaalsContact CA-CE2 3.48Å; P32-W49 HydrophobicContact CB-CB 3.76Å; P32-W49 HydrophobicContact CB-CD2 3.58Å; P32-W49 HydrophobicContact CB-CE3 3.91Å; P32-W49 HydrophobicContact CB-CG 3.52Å; P32-W49 VanDerWaalsContact O-CD1 3.28Å; P32-W49 PolarHBondContact O-NE1 2.7Å; L37-W49 HydrophobicContact CD1-CZ2 4.31Å; L37-W49 HydrophobicContact CD2-CH2 4.04Å; L37-W49 HydrophobicContact CD2-CZ2 3.56Å; L37-W49 HydrophobicContact CG-CZ2 3.71Å; W49-L137 HydrophobicContact CB-CB 4.36Å; W49-L137 HydrophobicContact CE3-CB 4.13Å; W49-L137 WeakPolarHBondContact CZ3-O 3.19Å; W49-L138 WeakPolarHBondContact CA-O 3.47Å; W49-P139 HydrophobicContact CE3-CG 4.11Å; W49-P139 HydrophobicContact CH2-CG 3.82Å; W49-P139 HydrophobicContact CZ2-CG 4.25Å; W49-P139 HydrophobicContact CZ3-CG 3.73Å; W49-Y172 HydrophobicContact CH2-CE2 4.09Å |
| 50 | K | 98.3 | Very high | 94.9 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 18% | 0.183 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.1 | -177.4 | -67.5 | -169.5 | -174.5 | 179.2 | 0 | 111.3 | E48 D54 I55 L138 T140 S143 | E48-K50 WeakPolarHBondContact OE2-CE 3.25Å; E48-K50 IonicContact OE2-NZ 3.27Å; E48-K50 PolarHBondContact OE2-NZ 2.94Å; K50-D54 HydrophobicContact CB-CB 4.2Å; K50-I55 HydrophobicContact CB-CD1 4.13Å; K50-I55 HydrophobicContact CB-CG1 3.81Å; K50-L138 PolarHBondContact N-O 3.19Å; K50-L138 PolarHBondContact O-N 2.76Å; K50-T140 HydrophobicContact CB-CG2 4.23Å; K50-S143 PolarHBondContact NZ-OG 2.96Å |
| 51 | R | 97.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | trans | -79 | 156.5 | 170.3 | -59.6 | -169.7 | -176.9 | -98.1 | -0.1 | 109.5 | F25 G53 D54 I55 D136 L137 | F25-R51 PolarHBondContact O-NH1 3.39Å; F25-R51 PolarHBondContact O-NH2 2.79Å; R51-G53 PolarHBondContact O-N 3.27Å; R51-G53 VanDerWaalsContact O-N 3.16Å; R51-D54 PolarHBondContact N-OD2 3.22Å; R51-D54 VanDerWaalsContact N-OD2 3.14Å; R51-D54 WeakPolarHBondContact O-CA 3.22Å; R51-D54 WeakPolarHBondContact O-CB 3.29Å; R51-D54 PolarHBondContact O-N 3.15Å; R51-I55 WeakPolarHBondContact O-CG1 3.27Å; R51-I55 PolarHBondContact O-N 3.35Å; R51-D136 WeakPolarHBondContact CD-OD1 3.16Å; R51-D136 WeakPolarHBondContact CG-OD1 3.26Å; R51-D136 IonicContact CZ-OD1 3.85Å; R51-D136 IonicContact NE-OD1 2.85Å; R51-D136 IonicContact NH1-OD1 3.56Å; R51-D136 PolarHBondContact NH1-OD1 3.26Å; R51-L137 HydrophobicContact CG-CD2 3.56Å; R51-L137 HydrophobicContact CG-CG 4.17Å | ||
| 52 | P | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -50.1 | -40.7 | 177.4 | -36.9 | 43.1 | 0 | 0 | 0 | 114.3 | D54 I55 V56 P59 W107 D136 L138 F156 | P52-D54 PolarHBondContact O-N 2.97Å; P52-I55 WeakPolarHBondContact O-CB 3.44Å; P52-I55 PolarHBondContact O-N 3.11Å; P52-V56 PolarHBondContact O-N 3.22Å; P52-P59 HydrophobicContact CB-CB 3.43Å; P52-P59 VanDerWaalsContact CB-CB 3.43Å; P52-P59 HydrophobicContact CB-CG 4.12Å; P52-W107 HydrophobicContact CB-CH2 4.37Å; P52-W107 HydrophobicContact CB-CZ2 3.84Å; P52-W107 HydrophobicContact CG-CH2 3.96Å; P52-W107 HydrophobicContact CG-CZ2 3.62Å; P52-D136 VanDerWaalsContact CD-O 3.27Å; P52-D136 WeakPolarHBondContact CD-O 3.28Å; P52-D136 HydrophobicContact CG-CB 4.28Å; P52-L138 HydrophobicContact CG-CD1 4.21Å; P52-F156 HydrophobicContact CB-CD1 4.07Å; P52-F156 HydrophobicContact CB-CD2 3.78Å; P52-F156 HydrophobicContact CB-CE1 3.94Å; P52-F156 HydrophobicContact CB-CE2 3.65Å; P52-F156 HydrophobicContact CB-CG 4Å; P52-F156 HydrophobicContact CB-CZ 3.73Å; P52-F156 HydrophobicContact CG-CB 4.44Å; P52-F156 HydrophobicContact CG-CD1 3.81Å; P52-F156 HydrophobicContact CG-CD2 4.18Å; P52-F156 HydrophobicContact CG-CE1 4.05Å; P52-F156 HydrophobicContact CG-CE2 4.41Å; P52-F156 HydrophobicContact CG-CG 3.88Å; P52-F156 HydrophobicContact CG-CZ 4.35Å |
| 53 | G | 95.2 | Very high | 94.6 | Very high | 45 Ų | 45 | 53.3 Ų | 53.3 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66 | -19.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R51 V56 | R51-G53 PolarHBondContact O-N 3.27Å; R51-G53 VanDerWaalsContact O-N 3.16Å; G53-V56 CarbonylContact C-O 3.19Å; G53-V56 WeakPolarHBondContact CA-O 3.12Å |
| 54 | D | 96.3 | Very high | 94 | Very high | 109 Ų | 109 | 57.7 Ų | 57.7 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -88 | -9.9 | 173.5 | -53.2 | -46.1 | 0 | 0 | 0 | 112.1 | K50 R51 P52 | K50-D54 HydrophobicContact CB-CB 4.2Å; R51-D54 PolarHBondContact N-OD2 3.22Å; R51-D54 VanDerWaalsContact N-OD2 3.14Å; R51-D54 WeakPolarHBondContact O-CA 3.22Å; R51-D54 WeakPolarHBondContact O-CB 3.29Å; R51-D54 PolarHBondContact O-N 3.15Å; P52-D54 PolarHBondContact O-N 2.97Å |
| 55 | I | 96.9 | Very high | 93.6 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -100.5 | -44.9 | -178.7 | -59.1 | 171.4 | 0 | 0 | 0 | 109.8 | K50 R51 P52 T140 S143 L145 F156 | K50-I55 HydrophobicContact CB-CD1 4.13Å; K50-I55 HydrophobicContact CB-CG1 3.81Å; R51-I55 WeakPolarHBondContact O-CG1 3.27Å; R51-I55 PolarHBondContact O-N 3.35Å; P52-I55 WeakPolarHBondContact O-CB 3.44Å; P52-I55 PolarHBondContact O-N 3.11Å; I55-T140 HydrophobicContact CD1-CG2 3.71Å; I55-T140 HydrophobicContact CG1-CG2 4.25Å; I55-S143 WeakPolarHBondContact CG2-O 3.3Å; I55-L145 HydrophobicContact CD1-CD2 4.08Å; I55-F156 HydrophobicContact CD1-CE1 4.16Å |
| 56 | V | 95.7 | Very high | 92.9 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | trans | -140.8 | 152.6 | -178.7 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | P52 G53 D58 P59 N154 F156 | P52-V56 PolarHBondContact O-N 3.22Å; G53-V56 CarbonylContact C-O 3.19Å; G53-V56 WeakPolarHBondContact CA-O 3.12Å; V56-D58 PolarHBondContact O-N 3.07Å; V56-P59 HydrophobicContact CG2-CB 4.13Å; V56-N154 HydrophobicContact CB-CB 4.49Å; V56-N154 HydrophobicContact CG2-CB 3.92Å; V56-F156 HydrophobicContact CG2-CE2 3.65Å; V56-F156 HydrophobicContact CG2-CZ 3.74Å | ||
| 57 | P | 91.9 | Very high | 92.3 | Very high | 136 Ų | 136 | 51.4 Ų | 51.4 | 88% | 0.883 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -72.5 | -25.8 | -175.5 | 26.9 | -35.3 | 0 | 0 | 0 | 115.5 | ||
| 58 | D | 93.8 | Very high | 91.2 | Very high | 67 Ų | 67 | 50.9 Ų | 50.9 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -131.7 | 70 | -173.6 | 178.8 | 35.6 | 0 | 0 | 0 | 110.9 | V56 H60 N154 | V56-D58 PolarHBondContact O-N 3.07Å; D58-H60 PolarHBondContact O-CD2 2.99Å; D58-H60 IonicContact OD1-CD2 3.55Å; D58-H60 IonicContact OD1-CE1 2.84Å; D58-H60 IonicContact OD1-NE2 3.7Å; D58-H60 PolarHBondContact OD1-NE2 2.74Å; D58-H60 IonicContact OD2-CD2 3.74Å; D58-H60 IonicContact OD2-NE2 3.64Å; D58-H60 PolarHBondContact OD2-NE2 2.81Å; D58-N154 VanDerWaalsContact O-CB 3.22Å; D58-N154 WeakPolarHBondContact O-CB 3.35Å; D58-N154 PolarHBondContact O-ND2 3.29Å |
| 59 | P | 95.2 | Very high | 90.3 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -74.5 | 137.9 | -177.1 | 31.6 | -35.4 | 0 | 0 | 0 | 112 | P52 V56 W107 F156 | P52-P59 HydrophobicContact CB-CB 3.43Å; P52-P59 VanDerWaalsContact CB-CB 3.43Å; P52-P59 HydrophobicContact CB-CG 4.12Å; V56-P59 HydrophobicContact CG2-CB 4.13Å; P59-W107 HydrophobicContact CB-CD2 4.48Å; P59-W107 HydrophobicContact CG-CG 4.38Å; P59-W107 WeakPolarHBondContact O-CB 3.36Å; P59-F156 HydrophobicContact CB-CD2 4.03Å; P59-F156 HydrophobicContact CB-CE2 3.73Å | ||
| 60 | H | 94.9 | Very high | 89.6 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -128 | 154.7 | 173.7 | -65.7 | -88 | 0 | 0 | 0 | 110.6 | D58 V63 W107 N154 E155 F156 | D58-H60 PolarHBondContact O-CD2 2.99Å; D58-H60 IonicContact OD1-CD2 3.55Å; D58-H60 IonicContact OD1-CE1 2.84Å; D58-H60 IonicContact OD1-NE2 3.7Å; D58-H60 PolarHBondContact OD1-NE2 2.74Å; D58-H60 IonicContact OD2-CD2 3.74Å; D58-H60 IonicContact OD2-NE2 3.64Å; D58-H60 PolarHBondContact OD2-NE2 2.81Å; H60-V63 HydrophobicContact CB-CG2 3.96Å; H60-W107 VanDerWaalsContact C-CZ3 3.44Å; H60-N154 PolarHBondContact N-O 3.01Å; H60-E155 WeakPolarHBondContact O-CA 3.42Å; H60-F156 PolarHBondContact O-N 3.4Å |
| 61 | L | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -75.5 | -45.4 | 169.6 | -168.7 | 63.8 | 0 | 0 | 0 | 107.4 | Q105 E106 W107 F119 E155 W157 L160 | L61-Q105 HydrophobicContact CD2-CB 3.66Å; L61-E106 WeakPolarHBondContact CB-OE1 3.31Å; L61-E106 WeakPolarHBondContact CB-OE2 3.33Å; L61-E106 PolarHBondContact N-OE1 3.19Å; L61-E106 PolarHBondContact N-OE2 3.46Å; L61-W107 VanDerWaalsContact CA-CZ3 3.48Å; L61-W107 HydrophobicContact CB-CE3 3.86Å; L61-W107 HydrophobicContact CB-CZ3 3.66Å; L61-W107 HydrophobicContact CD1-CZ3 3.99Å; L61-W107 HydrophobicContact CG-CZ3 4.43Å; L61-F119 HydrophobicContact CD1-CD1 4.03Å; L61-F119 HydrophobicContact CD1-CE1 4.01Å; L61-F119 HydrophobicContact CD2-CD1 4.42Å; L61-F119 HydrophobicContact CD2-CE1 4.44Å; L61-E155 WeakPolarHBondContact O-CG 3.17Å; L61-W157 HydrophobicContact CD1-CB 3.84Å; L61-W157 HydrophobicContact CG-CB 4.06Å; L61-W157 VanDerWaalsContact O-CB 3.26Å; L61-W157 WeakPolarHBondContact O-CB 3.5Å; L61-W157 VanDerWaalsContact O-CD1 3.3Å; L61-W157 PolarHBondContact O-N 3.24Å; L61-L160 HydrophobicContact CD1-CD1 3.66Å |
| 62 | F | 90.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | trans | -133.5 | 137 | 176 | -55.3 | -80 | 0 | 0 | 0 | 111.4 | I66 I99 V102 E106 E155 W157 | F62-I66 HydrophobicContact CD1-CG1 3.82Å; F62-I66 HydrophobicContact CE1-CD1 3.9Å; F62-I66 HydrophobicContact CE1-CG1 3.56Å; F62-I66 HydrophobicContact CZ-CD1 4.44Å; F62-I66 HydrophobicContact CZ-CG1 4.49Å; F62-I99 HydrophobicContact CE1-CD1 4.2Å; F62-I99 HydrophobicContact CE2-CG2 4.49Å; F62-I99 HydrophobicContact CZ-CD1 3.79Å; F62-I99 HydrophobicContact CZ-CG2 4.1Å; F62-V102 HydrophobicContact CD2-CG1 3.65Å; F62-V102 HydrophobicContact CE2-CB 4.28Å; F62-V102 HydrophobicContact CE2-CG1 3.43Å; F62-V102 VanDerWaalsContact CE2-CG1 3.43Å; F62-V102 HydrophobicContact CE2-CG2 3.88Å; F62-V102 HydrophobicContact CZ-CG2 4.34Å; F62-E106 PolarHBondContact N-OE2 3.36Å; F62-E155 WeakPolarHBondContact CA-OE1 3.25Å; F62-W157 HydrophobicContact CD1-CB 4.09Å; F62-W157 AromaticContact CD1-CD1 3.42Å; F62-W157 VanDerWaalsContact CD1-CD1 3.42Å; F62-W157 AromaticContact CD1-CG 3.8Å; F62-W157 HydrophobicContact CD1-CG 3.8Å; F62-W157 HydrophobicContact CE1-CB 3.52Å; F62-W157 AromaticContact CE1-CD1 3.48Å; F62-W157 VanDerWaalsContact CE1-CD1 3.48Å; F62-W157 AromaticContact CE1-CD2 3.95Å; F62-W157 HydrophobicContact CE1-CD2 3.95Å; F62-W157 AromaticContact CE1-CG 3.37Å; F62-W157 HydrophobicContact CE1-CG 3.37Å; F62-W157 HydrophobicContact CZ-CB 3.78Å; F62-W157 HydrophobicContact CZ-CG 4.13Å | ||
| 63 | V | 88.5 | Confident | 88.2 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -101.9 | -50.4 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | H60 T152 E155 | H60-V63 HydrophobicContact CB-CG2 3.96Å; V63-T152 HydrophobicContact CB-CG2 4.11Å; V63-T152 HydrophobicContact CG1-CG2 4.28Å; V63-T152 HydrophobicContact CG2-CG2 3.83Å; V63-E155 HydrophobicContact CG2-CB 3.93Å; V63-E155 HydrophobicContact CG2-CG 4.38Å; V63-E155 PolarHBondContact N-OE1 3.21Å |
| 64 | E | 82.2 | Confident | 88 | Confident | 186 Ų | 186 | 44 Ų | 44 | 87% | 0.869 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -121.7 | 30.3 | -179.5 | -61.2 | -167.2 | 166.1 | 0 | 0 | 112.7 | ||
| 65 | G | 81.3 | Confident | 87.6 | Confident | 36 Ų | 36 | 43.8 Ų | 43.8 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 84.4 | -141.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 66 | I | 76.3 | Confident | 87.2 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 21% | 0.205 | 25% | 0.251 | C | S | . | . | trans | -114.6 | 118.9 | -179.5 | -58.8 | 177.9 | 0 | 0 | 0 | 108 | F62 D70 T89 W95 W157 | F62-I66 HydrophobicContact CD1-CG1 3.82Å; F62-I66 HydrophobicContact CE1-CD1 3.9Å; F62-I66 HydrophobicContact CE1-CG1 3.56Å; F62-I66 HydrophobicContact CZ-CD1 4.44Å; F62-I66 HydrophobicContact CZ-CG1 4.49Å; I66-D70 WeakPolarHBondContact CA-OD2 3.19Å; I66-T89 HydrophobicContact CG2-CG2 3.62Å; I66-W95 HydrophobicContact CD1-CB 3.84Å; I66-W95 HydrophobicContact CD1-CD2 3.67Å; I66-W95 HydrophobicContact CD1-CE3 3.87Å; I66-W95 HydrophobicContact CD1-CG 3.65Å; I66-W157 HydrophobicContact CG2-CH2 4.26Å; I66-W157 HydrophobicContact CG2-CZ2 3.82Å | ||
| 67 | S | 80.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 43 Ų | 43 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | trans | -120.8 | 159.5 | 175.4 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | D69 D70 T89 | S67-D69 PolarHBondContact O-N 3.07Å; S67-D69 PolarHBondContact OG-N 2.83Å; S67-D70 WeakPolarHBondContact CB-OD1 3.11Å; S67-D70 PolarHBondContact N-OD2 3.16Å; S67-D70 PolarHBondContact O-N 3.11Å; S67-T89 WeakPolarHBondContact O-CG2 3.27Å | ||
| 68 | V | 74 | Confident | 86.8 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -62.6 | -28.5 | 170.2 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | D70 V71 T89 T255 | V68-D70 PolarHBondContact O-N 3.01Å; V68-V71 PolarHBondContact O-N 3.39Å; V68-T89 VanDerWaalsContact CG1-OG1 3.22Å; V68-T89 WeakPolarHBondContact CG1-OG1 3.25Å; V68-T255 HydrophobicContact CG1-CG2 4.37Å |
| 69 | D | 78.2 | Confident | 86.6 | Confident | 35 Ų | 35 | 33.9 Ų | 33.9 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -68.2 | -15.7 | 178.2 | -72.6 | -56.7 | 0 | 0 | 0 | 114 | S67 V71 K151 | S67-D69 PolarHBondContact O-N 3.07Å; S67-D69 PolarHBondContact OG-N 2.83Å; D69-V71 VanDerWaalsContact C-N 3.26Å; D69-V71 PolarHBondContact O-N 3.12Å; D69-K151 HydrophobicContact CB-CD 4.28Å; D69-K151 PolarHBondContact O-N 3.32Å; D69-K151 IonicContact OD1-NZ 2.62Å; D69-K151 PolarHBondContact OD1-NZ 2.99Å |
| 70 | D | 81.8 | Confident | 86.5 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -82 | -8.9 | -176.8 | -43.9 | -13.8 | 0 | 0 | 0 | 112.3 | I66 S67 V68 H149 S150 W157 C158 | I66-D70 WeakPolarHBondContact CA-OD2 3.19Å; S67-D70 WeakPolarHBondContact CB-OD1 3.11Å; S67-D70 PolarHBondContact N-OD2 3.16Å; S67-D70 PolarHBondContact O-N 3.11Å; V68-D70 PolarHBondContact O-N 3.01Å; D70-H149 CarbonylContact O-C 3.47Å; D70-S150 WeakPolarHBondContact CA-OG 3.33Å; D70-S150 VanDerWaalsContact O-CA 3.24Å; D70-S150 WeakPolarHBondContact O-CA 3.39Å; D70-S150 WeakPolarHBondContact O-CB 3.5Å; D70-S150 PolarHBondContact O-N 2.69Å; D70-W157 HydrophobicContact CB-CZ2 3.67Å; D70-W157 VanDerWaalsContact CB-NE1 3.27Å; D70-W157 PolarHBondContact OD2-NE1 3.16Å; D70-C158 WeakPolarHBondContact O-CB 3.48Å; D70-C158 PolarHBondContact O-SG 3.14Å |
| 71 | V | 83.9 | Confident | 86.4 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | trans | -121 | 84.7 | -169.4 | -163 | 0 | 0 | 0 | 0 | 110.5 | V68 D69 V82 C85 T89 W157 C158 | V68-V71 PolarHBondContact O-N 3.39Å; D69-V71 VanDerWaalsContact C-N 3.26Å; D69-V71 PolarHBondContact O-N 3.12Å; V71-V82 HydrophobicContact CB-CG1 4.46Å; V71-V82 HydrophobicContact CG1-CB 4.42Å; V71-V82 HydrophobicContact CG1-CG1 3.45Å; V71-V82 VanDerWaalsContact CG1-CG1 3.45Å; V71-C85 HydrophobicContact CG1-CB 3.74Å; V71-T89 HydrophobicContact CG2-CG2 4.24Å; V71-W157 HydrophobicContact CG2-CH2 3.23Å; V71-W157 HydrophobicContact CG2-CZ2 3.4Å; V71-W157 HydrophobicContact CG2-CZ3 4.27Å; V71-C158 HydrophobicContact CG2-CB 4.49Å | ||
| 72 | L | 89.3 | Confident | 86.3 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -101.6 | 138.3 | 171.1 | -58.1 | -176.6 | 0 | 0 | 0 | 111.4 | A148 H149 K151 P288 | L72-A148 WeakPolarHBondContact O-CA 3.48Å; L72-H149 WeakPolarHBondContact CA-O 3.25Å; L72-H149 VanDerWaalsContact CB-O 3.28Å; L72-H149 WeakPolarHBondContact CB-O 3.4Å; L72-H149 PolarHBondContact N-O 3.07Å; L72-H149 PolarHBondContact O-N 2.81Å; L72-H149 VanDerWaalsContact O-N 3.09Å; L72-K151 HydrophobicContact CD1-CG 3.56Å; L72-K151 HydrophobicContact CG-CG 4.2Å; L72-P288 CarbonylContact C-O 3.57Å; L72-P288 VanDerWaalsContact CA-O 3.26Å; L72-P288 WeakPolarHBondContact CA-O 2.92Å |
| 73 | Q | 90.6 | Very high | 86.2 | Confident | 16 Ų | 16 | 30.5 Ų | 30.5 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | trans | -71.1 | 136.1 | 170.6 | -170.9 | -176.2 | -18.3 | 0 | 0 | 109.6 | L76 V82 E239 P288 | Q73-L76 WeakPolarHBondContact CG-O 3.46Å; Q73-L76 PolarHBondContact NE2-O 2.85Å; Q73-V82 HydrophobicContact CB-CB 4.44Å; Q73-V82 HydrophobicContact CB-CG1 4.22Å; Q73-V82 HydrophobicContact CB-CG2 4.13Å; Q73-V82 HydrophobicContact CG-CG2 4.22Å; Q73-E239 PolarHBondContact NE2-OE1 3Å; Q73-P288 HydrophobicContact CB-CB 4.45Å; Q73-P288 PolarHBondContact N-O 3.31Å | ||
| 74 | G | 90.9 | Very high | 86.3 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | trans | -90.4 | -146.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L76 I146 Y147 | G74-L76 PolarHBondContact O-N 3.1Å; G74-L76 VanDerWaalsContact O-N 3.16Å; G74-I146 CarbonylContact C-O 3.58Å; G74-I146 WeakPolarHBondContact CA-O 3.22Å; G74-Y147 WeakPolarHBondContact CA-O 3.41Å; G74-Y147 PolarHBondContact N-O 3.1Å | ||
| 75 | V | 89.3 | Confident | 86.7 | Confident | 105 Ų | 105 | 18.8 Ų | 18.8 | 64% | 0.636 | 13% | 0.127 | S | C | * | . | S | Bend | trans | -75.9 | 0.7 | -176.8 | -52.3 | 0 | 0 | 0 | 0 | 114.4 | I146 Y147 | V75-I146 HydrophobicContact CG2-CB 4.39Å; V75-I146 WeakPolarHBondContact CG2-O 3.44Å; V75-I146 PolarHBondContact N-O 2.84Å; V75-Y147 HydrophobicContact CG2-CD1 4.09Å; V75-Y147 HydrophobicContact CG2-CE1 3.96Å |
| 76 | L | 88.4 | Confident | 87 | Confident | 12 Ų | 12 | 17 Ų | 17 | 6% | 0.063 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -91.4 | 134.8 | -177.1 | -168.7 | 63.2 | 0 | 0 | 0 | 109.7 | Q73 G74 N78 Y147 Y172 L175 S176 | Q73-L76 WeakPolarHBondContact CG-O 3.46Å; Q73-L76 PolarHBondContact NE2-O 2.85Å; G74-L76 PolarHBondContact O-N 3.1Å; G74-L76 VanDerWaalsContact O-N 3.16Å; L76-N78 HydrophobicContact CD2-CB 4.2Å; L76-N78 HydrophobicContact CG-CB 4.11Å; L76-N78 PolarHBondContact O-N 2.79Å; L76-N78 PolarHBondContact O-OD1 3.12Å; L76-Y147 HydrophobicContact CB-CD1 3.72Å; L76-Y147 HydrophobicContact CB-CE1 4.04Å; L76-Y147 HydrophobicContact CD1-CE1 4.34Å; L76-Y147 HydrophobicContact CD2-CD1 4.3Å; L76-Y147 HydrophobicContact CD2-CE1 4.49Å; L76-Y172 HydrophobicContact CD2-CD1 4.16Å; L76-Y172 WeakPolarHBondContact CD2-O 3.38Å; L76-L175 HydrophobicContact CD2-CB 3.92Å; L76-L175 HydrophobicContact CD2-CD1 4.32Å; L76-S176 VanDerWaalsContact CD1-OG 3.23Å; L76-S176 WeakPolarHBondContact CD1-OG 3.48Å |
| 77 | G | 87.8 | Confident | 87.5 | Confident | 29 Ų | 29 | 15.3 Ų | 15.3 | 30% | 0.299 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -75 | 54.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | S176 G177 | G77-S176 WeakPolarHBondContact O-CA 3.3Å; G77-G177 PolarHBondContact O-N 3.36Å; G77-G177 VanDerWaalsContact O-N 3.11Å |
| 78 | N | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -117.7 | 27.2 | -175.9 | 74.7 | -23.9 | 0 | 0 | 0 | 113.7 | L76 W80 F81 V82 E162 L175 | L76-N78 HydrophobicContact CD2-CB 4.2Å; L76-N78 HydrophobicContact CG-CB 4.11Å; L76-N78 PolarHBondContact O-N 2.79Å; L76-N78 PolarHBondContact O-OD1 3.12Å; N78-W80 PolarHBondContact O-N 2.76Å; N78-F81 PolarHBondContact O-N 2.93Å; N78-V82 PolarHBondContact O-N 2.62Å; N78-E162 PolarHBondContact ND2-OE1 2.95Å; N78-L175 HydrophobicContact CB-CB 3.97Å; N78-L175 VanDerWaalsContact CB-O 3.26Å; N78-L175 WeakPolarHBondContact CB-O 3.45Å | ||
| 79 | C | 90.5 | Very high | 88.2 | Confident | 10 Ų | 10 | 13.9 Ų | 13.9 | 7% | 0.068 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -44.4 | -37.4 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | F81 V82 A83 H250 P288 | C79-F81 VanDerWaalsContact C-N 3.32Å; C79-F81 PolarHBondContact O-N 2.94Å; C79-V82 PolarHBondContact O-N 3.45Å; C79-A83 WeakPolarHBondContact O-CB 3.41Å; C79-A83 PolarHBondContact O-N 3.47Å; C79-H250 VanDerWaalsContact CB-CE1 3.46Å; C79-H250 WeakPolarHBondContact CB-CE1 3.33Å; C79-H250 VanDerWaalsContact CB-ND1 3.32Å; C79-H250 WeakPolarHBondContact CB-ND1 3.49Å; C79-P288 HydrophobicContact CB-CG 4.19Å |
| 80 | W | 91.6 | Very high | 88.2 | Confident | 6 Ų | 6 | 17.5 Ų | 17.5 | 2% | 0.023 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.4 | -39.1 | 175.9 | 62.5 | -84.8 | 0 | 0 | 0 | 114 | N78 A84 F165 L175 L180 E182 A183 | N78-W80 PolarHBondContact O-N 2.76Å; W80-A84 WeakPolarHBondContact O-CB 3.31Å; W80-A84 PolarHBondContact O-N 3.44Å; W80-F165 AromaticContact CH2-CE1 3.51Å; W80-F165 HydrophobicContact CH2-CE1 3.51Å; W80-F165 AromaticContact CH2-CZ 3.99Å; W80-F165 HydrophobicContact CH2-CZ 3.99Å; W80-F165 HydrophobicContact CZ2-CE1 4.33Å; W80-F165 AromaticContact CZ3-CE1 3.93Å; W80-F165 HydrophobicContact CZ3-CE1 3.93Å; W80-F165 HydrophobicContact CZ3-CZ 4.16Å; W80-L175 VanDerWaalsContact CE2-O 3.27Å; W80-L175 HydrophobicContact CZ2-CB 4.46Å; W80-L175 VanDerWaalsContact CZ2-O 3.22Å; W80-L175 WeakPolarHBondContact CZ2-O 3.45Å; W80-L175 PolarHBondContact NE1-O 3.43Å; W80-L180 WeakPolarHBondContact O-CD1 3.32Å; W80-E182 HydrophobicContact CZ3-CB 4Å; W80-A183 HydrophobicContact CE3-CB 3.47Å; W80-A183 VanDerWaalsContact CE3-CB 3.47Å; W80-A183 HydrophobicContact CZ3-CB 3.66Å |
| 81 | F | 93.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.013 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -79.2 | -45.4 | 176.9 | 175.8 | -105.9 | 0 | 0 | 0 | 111.2 | N78 C79 A83 A84 C85 F123 L161 E162 F165 A183 I187 | N78-F81 PolarHBondContact O-N 2.93Å; C79-F81 VanDerWaalsContact C-N 3.32Å; C79-F81 PolarHBondContact O-N 2.94Å; F81-A83 PolarHBondContact O-N 2.62Å; F81-A84 WeakPolarHBondContact O-CB 3.43Å; F81-A84 PolarHBondContact O-N 3.07Å; F81-A84 VanDerWaalsContact O-N 3.13Å; F81-C85 VanDerWaalsContact CZ-SG 3.52Å; F81-C85 PolarHBondContact O-N 2.7Å; F81-C85 PolarHBondContact O-SG 3.08Å; F81-F123 HydrophobicContact CE2-CE1 4.2Å; F81-F123 HydrophobicContact CZ-CE1 4.29Å; F81-L161 HydrophobicContact CZ-CG 4.25Å; F81-E162 HydrophobicContact CD1-CG 4.43Å; F81-E162 HydrophobicContact CE1-CB 4.04Å; F81-E162 HydrophobicContact CE1-CG 4.19Å; F81-F165 HydrophobicContact CB-CE1 4.36Å; F81-F165 HydrophobicContact CD1-CD1 4.16Å; F81-F165 AromaticContact CD2-CD1 3.32Å; F81-F165 HydrophobicContact CD2-CD1 3.32Å; F81-F165 HydrophobicContact CD2-CD2 4.49Å; F81-F165 AromaticContact CD2-CE1 3.34Å; F81-F165 HydrophobicContact CD2-CE1 3.34Å; F81-F165 AromaticContact CD2-CG 3.94Å; F81-F165 HydrophobicContact CD2-CG 3.94Å; F81-F165 AromaticContact CD2-CZ 3.99Å; F81-F165 HydrophobicContact CD2-CZ 3.99Å; F81-F165 HydrophobicContact CE1-CB 4.22Å; F81-F165 HydrophobicContact CE1-CD1 4.18Å; F81-F165 HydrophobicContact CE1-CG 4.45Å; F81-F165 HydrophobicContact CE2-CB 3.88Å; F81-F165 AromaticContact CE2-CD1 3.33Å; F81-F165 HydrophobicContact CE2-CD1 3.33Å; F81-F165 AromaticContact CE2-CD2 3.92Å; F81-F165 HydrophobicContact CE2-CD2 3.92Å; F81-F165 AromaticContact CE2-CE1 3.73Å; F81-F165 HydrophobicContact CE2-CE1 3.73Å; F81-F165 HydrophobicContact CE2-CE2 4.29Å; F81-F165 AromaticContact CE2-CG 3.43Å; F81-F165 HydrophobicContact CE2-CG 3.43Å; F81-F165 VanDerWaalsContact CE2-CG 3.43Å; F81-F165 HydrophobicContact CE2-CZ 4.2Å; F81-F165 AromaticContact CG-CD1 3.75Å; F81-F165 HydrophobicContact CG-CD1 3.75Å; F81-F165 AromaticContact CG-CE1 3.91Å; F81-F165 HydrophobicContact CG-CE1 3.91Å; F81-F165 HydrophobicContact CZ-CB 3.61Å; F81-F165 AromaticContact CZ-CD1 3.78Å; F81-F165 HydrophobicContact CZ-CD1 3.78Å; F81-F165 HydrophobicContact CZ-CD2 4.49Å; F81-F165 AromaticContact CZ-CG 3.73Å; F81-F165 HydrophobicContact CZ-CG 3.73Å; F81-A183 HydrophobicContact CB-CB 4.3Å; F81-A183 HydrophobicContact CD2-CB 4.04Å; F81-I187 HydrophobicContact CE2-CD1 4.19Å |
| 82 | V | 92.1 | Very high | 88 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 179.7 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | V71 Q73 N78 C79 A84 C85 S86 P288 | V71-V82 HydrophobicContact CB-CG1 4.46Å; V71-V82 HydrophobicContact CG1-CB 4.42Å; V71-V82 HydrophobicContact CG1-CG1 3.45Å; V71-V82 VanDerWaalsContact CG1-CG1 3.45Å; Q73-V82 HydrophobicContact CB-CB 4.44Å; Q73-V82 HydrophobicContact CB-CG1 4.22Å; Q73-V82 HydrophobicContact CB-CG2 4.13Å; Q73-V82 HydrophobicContact CG-CG2 4.22Å; N78-V82 PolarHBondContact O-N 2.62Å; C79-V82 PolarHBondContact O-N 3.45Å; V82-A84 VanDerWaalsContact C-N 3.31Å; V82-A84 PolarHBondContact O-N 3.13Å; V82-C85 CarbonylContact O-C 3.51Å; V82-C85 WeakPolarHBondContact O-CA 3.32Å; V82-C85 WeakPolarHBondContact O-CB 3.45Å; V82-C85 PolarHBondContact O-N 2.77Å; V82-C85 VanDerWaalsContact O-N 3.07Å; V82-S86 PolarHBondContact O-N 2.69Å; V82-S86 PolarHBondContact O-OG 3.31Å; V82-S86 VanDerWaalsContact O-OG 3.12Å; V82-P288 HydrophobicContact CB-CB 3.94Å; V82-P288 HydrophobicContact CG1-CB 3.5Å; V82-P288 VanDerWaalsContact CG1-CB 3.5Å |
| 83 | A | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C79 F81 C85 S86 A87 L180 A253 | C79-A83 WeakPolarHBondContact O-CB 3.41Å; C79-A83 PolarHBondContact O-N 3.47Å; F81-A83 PolarHBondContact O-N 2.62Å; A83-C85 VanDerWaalsContact C-N 3.35Å; A83-S86 PolarHBondContact O-N 3.27Å; A83-A87 PolarHBondContact O-N 3.21Å; A83-L180 HydrophobicContact CB-CD1 4.42Å; A83-A253 WeakPolarHBondContact O-CB 3.39Å |
| 84 | A | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W80 F81 V82 A87 L88 L180 A183 L184 I187 | W80-A84 WeakPolarHBondContact O-CB 3.31Å; W80-A84 PolarHBondContact O-N 3.44Å; F81-A84 WeakPolarHBondContact O-CB 3.43Å; F81-A84 PolarHBondContact O-N 3.07Å; F81-A84 VanDerWaalsContact O-N 3.13Å; V82-A84 VanDerWaalsContact C-N 3.31Å; V82-A84 PolarHBondContact O-N 3.13Å; A84-A87 PolarHBondContact O-N 3.06Å; A84-L88 PolarHBondContact O-N 2.84Å; A84-L180 HydrophobicContact CB-CD1 4.4Å; A84-A183 HydrophobicContact CB-CB 3.46Å; A84-A183 VanDerWaalsContact CB-CB 3.46Å; A84-L184 HydrophobicContact CB-CD2 3.82Å; A84-L184 HydrophobicContact CB-CG 4.29Å; A84-I187 HydrophobicContact CB-CD1 3.81Å |
| 85 | C | 90.6 | Very high | 87 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 170.8 | -70 | 0 | 0 | 0 | 0 | 111.8 | V71 F81 V82 A83 A87 L88 T89 L161 | V71-C85 HydrophobicContact CG1-CB 3.74Å; F81-C85 VanDerWaalsContact CZ-SG 3.52Å; F81-C85 PolarHBondContact O-N 2.7Å; F81-C85 PolarHBondContact O-SG 3.08Å; V82-C85 CarbonylContact O-C 3.51Å; V82-C85 WeakPolarHBondContact O-CA 3.32Å; V82-C85 WeakPolarHBondContact O-CB 3.45Å; V82-C85 PolarHBondContact O-N 2.77Å; V82-C85 VanDerWaalsContact O-N 3.07Å; A83-C85 VanDerWaalsContact C-N 3.35Å; C85-A87 VanDerWaalsContact C-N 3.3Å; C85-A87 PolarHBondContact O-N 2.98Å; C85-L88 VanDerWaalsContact O-CB 3.25Å; C85-L88 WeakPolarHBondContact O-CB 3.26Å; C85-L88 PolarHBondContact O-N 3.33Å; C85-L88 VanDerWaalsContact O-N 3.07Å; C85-T89 WeakPolarHBondContact O-CG2 3.48Å; C85-T89 PolarHBondContact O-N 3.27Å; C85-L161 VanDerWaalsContact SG-CD2 3.6Å |
| 86 | S | 87.8 | Confident | 87 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 173.9 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | V82 A83 L88 T89 | V82-S86 PolarHBondContact O-N 2.69Å; V82-S86 PolarHBondContact O-OG 3.31Å; V82-S86 VanDerWaalsContact O-OG 3.12Å; A83-S86 PolarHBondContact O-N 3.27Å; S86-L88 VanDerWaalsContact C-N 3.32Å; S86-L88 PolarHBondContact O-N 3.46Å; S86-T89 WeakPolarHBondContact O-CB 3.45Å; S86-T89 WeakPolarHBondContact O-CG2 3.42Å; S86-T89 PolarHBondContact O-N 3.13Å; S86-T89 PolarHBondContact O-OG1 2.99Å |
| 87 | A | 85.9 | Confident | 87 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -36.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A83 A84 C85 T89 H91 L225 A253 | A83-A87 PolarHBondContact O-N 3.21Å; A84-A87 PolarHBondContact O-N 3.06Å; C85-A87 VanDerWaalsContact C-N 3.3Å; C85-A87 PolarHBondContact O-N 2.98Å; A87-T89 VanDerWaalsContact C-N 3.28Å; A87-T89 PolarHBondContact O-N 3Å; A87-H91 PolarHBondContact O-CD2 3Å; A87-H91 VanDerWaalsContact O-CD2 3.25Å; A87-L225 HydrophobicContact CB-CB 4.37Å; A87-L225 HydrophobicContact CB-CD1 4.41Å; A87-L225 HydrophobicContact CB-CD2 4.09Å; A87-L225 WeakPolarHBondContact O-CD2 3.48Å; A87-A253 HydrophobicContact CB-CB 4.19Å |
| 88 | L | 86.1 | Confident | 87.4 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -33.1 | 178.3 | 178.5 | 63.8 | 0 | 0 | 0 | 113.3 | A84 C85 S86 R90 H91 L94 W95 V98 I187 | A84-L88 PolarHBondContact O-N 2.84Å; C85-L88 VanDerWaalsContact O-CB 3.25Å; C85-L88 WeakPolarHBondContact O-CB 3.26Å; C85-L88 PolarHBondContact O-N 3.33Å; C85-L88 VanDerWaalsContact O-N 3.07Å; S86-L88 VanDerWaalsContact C-N 3.32Å; S86-L88 PolarHBondContact O-N 3.46Å; L88-R90 PolarHBondContact O-N 3.24Å; L88-R90 VanDerWaalsContact O-N 3.07Å; L88-H91 PolarHBondContact O-N 2.99Å; L88-L94 HydrophobicContact CD1-CB 3.45Å; L88-L94 VanDerWaalsContact CD1-CB 3.45Å; L88-L94 HydrophobicContact CD1-CD1 4.33Å; L88-W95 HydrophobicContact CD1-CB 4.32Å; L88-W95 HydrophobicContact CD2-CB 4.49Å; L88-W95 HydrophobicContact CG-CB 4.24Å; L88-V98 HydrophobicContact CD2-CB 4.13Å; L88-V98 HydrophobicContact CD2-CG1 4.11Å; L88-V98 HydrophobicContact CD2-CG2 4.1Å; L88-I187 HydrophobicContact CB-CG2 4Å; L88-I187 HydrophobicContact CD1-CG2 3.63Å; L88-I187 HydrophobicContact CD2-CG2 3.73Å; L88-I187 HydrophobicContact CG-CG2 3.98Å |
| 89 | T | 83.4 | Confident | 87.5 | Confident | 12 Ų | 12 | 35 Ų | 35 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.5 | -175.5 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | I66 S67 V68 V71 C85 S86 A87 H91 W157 | I66-T89 HydrophobicContact CG2-CG2 3.62Å; S67-T89 WeakPolarHBondContact O-CG2 3.27Å; V68-T89 VanDerWaalsContact CG1-OG1 3.22Å; V68-T89 WeakPolarHBondContact CG1-OG1 3.25Å; V71-T89 HydrophobicContact CG2-CG2 4.24Å; C85-T89 WeakPolarHBondContact O-CG2 3.48Å; C85-T89 PolarHBondContact O-N 3.27Å; S86-T89 WeakPolarHBondContact O-CB 3.45Å; S86-T89 WeakPolarHBondContact O-CG2 3.42Å; S86-T89 PolarHBondContact O-N 3.13Å; S86-T89 PolarHBondContact O-OG1 2.99Å; A87-T89 VanDerWaalsContact C-N 3.28Å; A87-T89 PolarHBondContact O-N 3Å; T89-H91 VanDerWaalsContact C-N 3.34Å; T89-H91 PolarHBondContact O-N 2.86Å; T89-W157 HydrophobicContact CG2-CH2 4.37Å; T89-W157 HydrophobicContact CG2-CZ2 4.46Å |
| 90 | R | 78.4 | Confident | 87.6 | Confident | 110 Ų | 110 | 35.6 Ų | 35.6 | 42% | 0.415 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.7 | 179.9 | -55.4 | -67.9 | -170.5 | -173.2 | -0.9 | 113.3 | L88 E325 | L88-R90 PolarHBondContact O-N 3.24Å; L88-R90 VanDerWaalsContact O-N 3.07Å; R90-E325 IonicContact NH2-OE1 3.65Å; R90-E325 PolarHBondContact NH2-OE1 3.45Å; R90-E325 IonicContact NH2-OE2 3.69Å |
| 91 | H | 80.6 | Confident | 87.6 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | trans | -113.5 | 83.6 | -170.6 | -68.2 | -105.2 | 0 | 0 | 0 | 112.7 | A87 L88 T89 R93 L94 W95 K223 L225 | A87-H91 PolarHBondContact O-CD2 3Å; A87-H91 VanDerWaalsContact O-CD2 3.25Å; L88-H91 PolarHBondContact O-N 2.99Å; T89-H91 VanDerWaalsContact C-N 3.34Å; T89-H91 PolarHBondContact O-N 2.86Å; H91-R93 VanDerWaalsContact C-N 3.26Å; H91-R93 PolarHBondContact O-N 3.13Å; H91-L94 HydrophobicContact CB-CB 4.08Å; H91-L94 HydrophobicContact CB-CD1 3.99Å; H91-L94 HydrophobicContact CB-CG 4.42Å; H91-L94 PolarHBondContact O-N 3.13Å; H91-W95 PolarHBondContact O-N 2.77Å; H91-K223 PolarHBondContact CE1-O 3.18Å; H91-K223 PolarHBondContact ND1-O 3.37Å; H91-L225 HydrophobicContact CB-CD2 4.39Å; H91-L225 WeakPolarHBondContact CD2-CD2 3.39Å; H91-L225 VanDerWaalsContact NE2-CD2 3.3Å; H91-L225 WeakPolarHBondContact NE2-CD2 3.39Å | ||
| 92 | K | 80 | Confident | 87.5 | Confident | 169 Ų | 169 | 39.3 Ų | 39.3 | 74% | 0.735 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -51.7 | -37.5 | -172.9 | -73.5 | -170.6 | 179 | -178.1 | 0 | 116 | W95 T96 | K92-W95 VanDerWaalsContact C-CD1 3.47Å; K92-W95 VanDerWaalsContact CA-NE1 3.26Å; K92-W95 PolarHBondContact O-NE1 2.98Å; K92-T96 PolarHBondContact O-OG1 2.64Å |
| 93 | R | 81.2 | Confident | 87.3 | Confident | 179 Ų | 179 | 44.6 Ų | 44.6 | 68% | 0.675 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -77.4 | -26.6 | -178.5 | -160 | -179 | 95.2 | 159.6 | 3.1 | 113.6 | H91 T96 | H91-R93 VanDerWaalsContact C-N 3.26Å; H91-R93 PolarHBondContact O-N 3.13Å; R93-T96 PolarHBondContact O-OG1 2.76Å; R93-T96 VanDerWaalsContact O-OG1 3.11Å |
| 94 | L | 84.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -81.8 | -41.9 | 179.9 | -85.1 | 176.4 | 0 | 0 | 0 | 111.1 | L88 H91 T96 K97 V98 T188 L225 | L88-L94 HydrophobicContact CD1-CB 3.45Å; L88-L94 VanDerWaalsContact CD1-CB 3.45Å; L88-L94 HydrophobicContact CD1-CD1 4.33Å; H91-L94 HydrophobicContact CB-CB 4.08Å; H91-L94 HydrophobicContact CB-CD1 3.99Å; H91-L94 HydrophobicContact CB-CG 4.42Å; H91-L94 PolarHBondContact O-N 3.13Å; L94-T96 VanDerWaalsContact C-N 3.26Å; L94-T96 PolarHBondContact O-N 2.92Å; L94-K97 WeakPolarHBondContact O-CA 3.38Å; L94-K97 WeakPolarHBondContact O-CB 3.35Å; L94-K97 PolarHBondContact O-N 3.28Å; L94-V98 PolarHBondContact O-N 2.86Å; L94-V98 VanDerWaalsContact O-N 3.16Å; L94-T188 HydrophobicContact CD1-CG2 3.63Å; L94-T188 HydrophobicContact CD2-CG2 4.42Å; L94-L225 HydrophobicContact CD1-CD1 4.31Å; L94-L225 HydrophobicContact CD1-CD2 4.49Å; L94-L225 HydrophobicContact CD1-CG 4.29Å |
| 95 | W | 84.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -37.1 | -178.3 | 75.6 | -113 | 0 | 0 | 0 | 111.8 | I66 L88 H91 K92 K97 V98 I99 V102 | I66-W95 HydrophobicContact CD1-CB 3.84Å; I66-W95 HydrophobicContact CD1-CD2 3.67Å; I66-W95 HydrophobicContact CD1-CE3 3.87Å; I66-W95 HydrophobicContact CD1-CG 3.65Å; L88-W95 HydrophobicContact CD1-CB 4.32Å; L88-W95 HydrophobicContact CD2-CB 4.49Å; L88-W95 HydrophobicContact CG-CB 4.24Å; H91-W95 PolarHBondContact O-N 2.77Å; K92-W95 VanDerWaalsContact C-CD1 3.47Å; K92-W95 VanDerWaalsContact CA-NE1 3.26Å; K92-W95 PolarHBondContact O-NE1 2.98Å; W95-K97 PolarHBondContact O-N 2.93Å; W95-K97 VanDerWaalsContact O-N 3.14Å; W95-V98 PolarHBondContact O-N 2.9Å; W95-I99 PolarHBondContact O-N 3.12Å; W95-V102 HydrophobicContact CE3-CG2 4.38Å; W95-V102 HydrophobicContact CH2-CG2 4.48Å; W95-V102 HydrophobicContact CZ3-CB 4.41Å; W95-V102 HydrophobicContact CZ3-CG2 3.58Å |
| 96 | T | 88 | Confident | 87.6 | Confident | 66 Ų | 66 | 50.9 Ų | 50.9 | 41% | 0.405 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.9 | -19 | 176.3 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | K92 R93 L94 | K92-T96 PolarHBondContact O-OG1 2.64Å; R93-T96 PolarHBondContact O-OG1 2.76Å; R93-T96 VanDerWaalsContact O-OG1 3.11Å; L94-T96 VanDerWaalsContact C-N 3.26Å; L94-T96 PolarHBondContact O-N 2.92Å |
| 97 | K | 90.3 | Very high | 87.8 | Confident | 83 Ų | 83 | 52.3 Ų | 52.3 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -82.6 | -40.4 | 170 | -67 | -175.9 | 176.6 | -179.3 | 0 | 111.7 | L94 W95 C122 W129 | L94-K97 WeakPolarHBondContact O-CA 3.38Å; L94-K97 WeakPolarHBondContact O-CB 3.35Å; L94-K97 PolarHBondContact O-N 3.28Å; W95-K97 PolarHBondContact O-N 2.93Å; W95-K97 VanDerWaalsContact O-N 3.14Å; K97-C122 VanDerWaalsContact O-CB 3.27Å; K97-C122 WeakPolarHBondContact O-CB 3.41Å; K97-W129 HydrophobicContact CB-CH2 4.21Å; K97-W129 HydrophobicContact CB-CZ2 4.46Å; K97-W129 HydrophobicContact CB-CZ3 4.39Å; K97-W129 HydrophobicContact CD-CH2 4.34Å; K97-W129 HydrophobicContact CD-CZ2 3.88Å |
| 98 | V | 94.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.8 | -39.2 | -176.3 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | L88 L94 W95 P100 F121 C122 W129 L161 I187 | L88-V98 HydrophobicContact CD2-CB 4.13Å; L88-V98 HydrophobicContact CD2-CG1 4.11Å; L88-V98 HydrophobicContact CD2-CG2 4.1Å; L94-V98 PolarHBondContact O-N 2.86Å; L94-V98 VanDerWaalsContact O-N 3.16Å; W95-V98 PolarHBondContact O-N 2.9Å; V98-P100 VanDerWaalsContact C-CD 3.46Å; V98-P100 VanDerWaalsContact O-CD 3.3Å; V98-P100 WeakPolarHBondContact O-CD 3.5Å; V98-F121 CarbonylContact O-C 3.52Å; V98-F121 VanDerWaalsContact O-CA 3.23Å; V98-F121 WeakPolarHBondContact O-CA 3.43Å; V98-C122 WeakPolarHBondContact CA-O 3.35Å; V98-C122 PolarHBondContact O-N 3.47Å; V98-W129 HydrophobicContact CG2-CZ3 4.25Å; V98-L161 HydrophobicContact CG1-CD1 3.6Å; V98-L161 HydrophobicContact CG1-CD2 4.47Å; V98-I187 HydrophobicContact CG2-CG2 4.13Å; V98-I187 VanDerWaalsContact CG2-O 3.31Å; V98-I187 WeakPolarHBondContact CG2-O 3.03Å |
| 99 | I | 93.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -119.1 | 80.1 | 176.5 | -38.3 | -177.9 | 0 | 0 | 0 | 107.5 | F62 W95 V102 F121 W157 | F62-I99 HydrophobicContact CE1-CD1 4.2Å; F62-I99 HydrophobicContact CE2-CG2 4.49Å; F62-I99 HydrophobicContact CZ-CD1 3.79Å; F62-I99 HydrophobicContact CZ-CG2 4.1Å; W95-I99 PolarHBondContact O-N 3.12Å; I99-V102 HydrophobicContact CB-CG2 4.27Å; I99-V102 HydrophobicContact CG2-CG2 3.88Å; I99-V102 VanDerWaalsContact O-CG2 3.25Å; I99-V102 WeakPolarHBondContact O-CG2 3.4Å; I99-F121 HydrophobicContact CB-CD1 4.39Å; I99-F121 HydrophobicContact CD1-CE1 4.32Å; I99-F121 HydrophobicContact CG1-CD1 3.97Å; I99-F121 HydrophobicContact CG1-CE1 4.13Å; I99-F121 HydrophobicContact CG2-CD1 4.08Å; I99-F121 HydrophobicContact CG2-CE1 3.83Å; I99-W157 HydrophobicContact CD1-CD2 4.43Å; I99-W157 HydrophobicContact CD1-CE3 3.81Å; I99-W157 HydrophobicContact CD1-CZ3 4.37Å |
| 100 | P | 93.1 | Very high | 87.6 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | trans | -72.1 | 169.4 | 177.4 | 29.5 | -33.3 | 0 | 0 | 0 | 111.8 | V98 V102 Q105 | V98-P100 VanDerWaalsContact C-CD 3.46Å; V98-P100 VanDerWaalsContact O-CD 3.3Å; V98-P100 WeakPolarHBondContact O-CD 3.5Å; P100-V102 PolarHBondContact O-N 2.81Å; P100-Q105 PolarHBondContact O-NE2 3.18Å | ||
| 101 | D | 92.4 | Very high | 87.9 | Confident | 54 Ų | 54 | 67 Ų | 67 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 51.1 | 31.5 | 170.2 | -60.8 | -26.6 | 0 | 0 | 0 | 114.3 | K12 S103 E104 Q105 H120 | K12-D101 WeakPolarHBondContact CE-OD2 3.5Å; K12-D101 IonicContact NZ-OD1 3.24Å; K12-D101 IonicContact NZ-OD2 2.81Å; K12-D101 PolarHBondContact NZ-OD2 2.97Å; K12-D101 VanDerWaalsContact NZ-OD2 3.13Å; D101-S103 VanDerWaalsContact C-N 3.33Å; D101-S103 PolarHBondContact O-N 3.29Å; D101-S103 VanDerWaalsContact O-N 3.13Å; D101-E104 HydrophobicContact CB-CB 4.34Å; D101-E104 WeakPolarHBondContact O-CA 3.39Å; D101-E104 WeakPolarHBondContact O-CB 3.46Å; D101-E104 PolarHBondContact O-N 3.29Å; D101-Q105 WeakPolarHBondContact O-CG 3.17Å; D101-Q105 PolarHBondContact O-N 3.48Å; D101-H120 IonicContact OD2-CE1 3.01Å; D101-H120 IonicContact OD2-NE2 3.11Å |
| 102 | V | 89.7 | Confident | 88.1 | Confident | 33 Ų | 33 | 69 Ų | 69 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -49.2 | -46.2 | -169.3 | 166.3 | 0 | 0 | 0 | 0 | 114.6 | F62 W95 I99 P100 E104 Q105 E106 | F62-V102 HydrophobicContact CD2-CG1 3.65Å; F62-V102 HydrophobicContact CE2-CB 4.28Å; F62-V102 HydrophobicContact CE2-CG1 3.43Å; F62-V102 VanDerWaalsContact CE2-CG1 3.43Å; F62-V102 HydrophobicContact CE2-CG2 3.88Å; F62-V102 HydrophobicContact CZ-CG2 4.34Å; W95-V102 HydrophobicContact CE3-CG2 4.38Å; W95-V102 HydrophobicContact CH2-CG2 4.48Å; W95-V102 HydrophobicContact CZ3-CB 4.41Å; W95-V102 HydrophobicContact CZ3-CG2 3.58Å; I99-V102 HydrophobicContact CB-CG2 4.27Å; I99-V102 HydrophobicContact CG2-CG2 3.88Å; I99-V102 VanDerWaalsContact O-CG2 3.25Å; I99-V102 WeakPolarHBondContact O-CG2 3.4Å; P100-V102 PolarHBondContact O-N 2.81Å; V102-E104 PolarHBondContact O-N 2.87Å; V102-Q105 PolarHBondContact O-N 3.44Å; V102-E106 PolarHBondContact O-N 2.76Å |
| 103 | S | 89 | Confident | 88.5 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 78% | 0.783 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.4 | -23.1 | 179.1 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | D101 | D101-S103 VanDerWaalsContact C-N 3.33Å; D101-S103 PolarHBondContact O-N 3.29Å; D101-S103 VanDerWaalsContact O-N 3.13Å |
| 104 | E | 89.9 | Confident | 89 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -83.3 | -22.9 | 174.2 | -60.8 | -170.8 | -151.6 | 0 | 0 | 112.9 | R15 D101 V102 | R15-E104 IonicContact NH1-OE2 2.86Å; R15-E104 PolarHBondContact NH1-OE2 3.33Å; R15-E104 VanDerWaalsContact NH1-OE2 3.11Å; R15-E104 PolarHBondContact NH2-O 2.82Å; D101-E104 HydrophobicContact CB-CB 4.34Å; D101-E104 WeakPolarHBondContact O-CA 3.39Å; D101-E104 WeakPolarHBondContact O-CB 3.46Å; D101-E104 PolarHBondContact O-N 3.29Å; V102-E104 PolarHBondContact O-N 2.87Å |
| 105 | Q | 93.6 | Very high | 89.4 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -89.4 | -24.9 | -180 | -52 | -146.3 | 94.9 | 0 | 0 | 113.1 | L61 P100 D101 V102 F119 H120 | L61-Q105 HydrophobicContact CD2-CB 3.66Å; P100-Q105 PolarHBondContact O-NE2 3.18Å; D101-Q105 WeakPolarHBondContact O-CG 3.17Å; D101-Q105 PolarHBondContact O-N 3.48Å; V102-Q105 PolarHBondContact O-N 3.44Å; Q105-F119 HydrophobicContact CB-CD1 4.16Å; Q105-F119 HydrophobicContact CB-CE1 4.42Å; Q105-F119 WeakPolarHBondContact O-CE1 3.47Å; Q105-F119 VanDerWaalsContact OE1-CA 3.28Å; Q105-H120 PolarHBondContact NE2-O 3.5Å; Q105-H120 VanDerWaalsContact NE2-O 3.14Å; Q105-H120 PolarHBondContact OE1-CD2 3.42Å; Q105-H120 PolarHBondContact OE1-O 3.25Å |
| 106 | E | 92.9 | Very high | 90 | Very high | 49 Ų | 49 | 64.2 Ų | 64.2 | 23% | 0.229 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -62.3 | 143.6 | -176.6 | -170.3 | 51.3 | -84.6 | 0 | 0 | 112.4 | L61 F62 V102 | L61-E106 WeakPolarHBondContact CB-OE1 3.31Å; L61-E106 WeakPolarHBondContact CB-OE2 3.33Å; L61-E106 PolarHBondContact N-OE1 3.19Å; L61-E106 PolarHBondContact N-OE2 3.46Å; F62-E106 PolarHBondContact N-OE2 3.36Å; V102-E106 PolarHBondContact O-N 2.76Å |
| 107 | W | 91.5 | Very high | 90.4 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | trans | -66.4 | 137.3 | 168 | -75 | -96.8 | 0 | 0 | 0 | 109.3 | P52 P59 H60 L61 Y115 F119 F156 L160 | P52-W107 HydrophobicContact CB-CH2 4.37Å; P52-W107 HydrophobicContact CB-CZ2 3.84Å; P52-W107 HydrophobicContact CG-CH2 3.96Å; P52-W107 HydrophobicContact CG-CZ2 3.62Å; P59-W107 HydrophobicContact CB-CD2 4.48Å; P59-W107 HydrophobicContact CG-CG 4.38Å; P59-W107 WeakPolarHBondContact O-CB 3.36Å; H60-W107 VanDerWaalsContact C-CZ3 3.44Å; L61-W107 VanDerWaalsContact CA-CZ3 3.48Å; L61-W107 HydrophobicContact CB-CE3 3.86Å; L61-W107 HydrophobicContact CB-CZ3 3.66Å; L61-W107 HydrophobicContact CD1-CZ3 3.99Å; L61-W107 HydrophobicContact CG-CZ3 4.43Å; W107-Y115 AromaticContact CD1-CD2 3.8Å; W107-Y115 AromaticContact CD1-CE2 3.99Å; W107-Y115 HydrophobicContact CZ2-CE2 4.45Å; W107-Y115 AromaticContact NE1-CD2 3.57Å; W107-Y115 AromaticContact NE1-CE2 3.28Å; W107-Y115 VanDerWaalsContact NE1-CE2 3.28Å; W107-F119 HydrophobicContact CD2-CZ 4.29Å; W107-F119 AromaticContact CE2-CZ 3.89Å; W107-F119 HydrophobicContact CE3-CE1 4.21Å; W107-F119 HydrophobicContact CE3-CZ 4.15Å; W107-F119 AromaticContact CH2-CE1 3.74Å; W107-F119 HydrophobicContact CH2-CE1 3.74Å; W107-F119 HydrophobicContact CH2-CE2 4.11Å; W107-F119 AromaticContact CH2-CZ 3.32Å; W107-F119 HydrophobicContact CH2-CZ 3.32Å; W107-F119 HydrophobicContact CZ2-CE1 4.24Å; W107-F119 HydrophobicContact CZ2-CE2 4.01Å; W107-F119 AromaticContact CZ2-CZ 3.38Å; W107-F119 HydrophobicContact CZ2-CZ 3.38Å; W107-F119 AromaticContact CZ3-CE1 3.7Å; W107-F119 HydrophobicContact CZ3-CE1 3.7Å; W107-F119 AromaticContact CZ3-CZ 3.7Å; W107-F119 HydrophobicContact CZ3-CZ 3.7Å; W107-F156 HydrophobicContact CH2-CB 4.06Å; W107-F156 HydrophobicContact CZ3-CB 4.36Å; W107-L160 HydrophobicContact CH2-CD1 3.87Å; W107-L160 HydrophobicContact CZ3-CD1 4.4Å | ||
| 108 | S | 85.4 | Confident | 90.7 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | trans | -142.7 | 117 | -178.4 | -173 | 0 | 0 | 0 | 0 | 111.2 | K110 D111 A112 | S108-K110 PolarHBondContact O-N 2.98Å; S108-D111 CarbonylContact O-C 3.57Å; S108-D111 PolarHBondContact O-N 3.45Å; S108-D111 VanDerWaalsContact O-N 3.12Å; S108-A112 WeakPolarHBondContact O-CA 3.31Å; S108-A112 PolarHBondContact O-N 3.36Å | ||
| 109 | D | 81.2 | Confident | 90.9 | Very high | 139 Ų | 139 | 57.6 Ų | 57.6 | 74% | 0.743 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -59.6 | -36.6 | 174.2 | -67.4 | -25.8 | 0 | 0 | 0 | 112.3 | D111 | D109-D111 PolarHBondContact O-N 2.83Š|
| 110 | K | 83.7 | Confident | 91.1 | Very high | 192 Ų | 192 | 57.8 Ų | 57.8 | 84% | 0.835 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -69.7 | -22.1 | -179.9 | -65.8 | -178.8 | -178.9 | 174.6 | 0 | 112.7 | S108 | S108-K110 PolarHBondContact O-N 2.98Š|
| 111 | D | 85 | Confident | 91.3 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -133.2 | 38.1 | -174.3 | -84.5 | -46.9 | 0 | 0 | 0 | 110.9 | S108 D109 Q113 K114 | S108-D111 CarbonylContact O-C 3.57Å; S108-D111 PolarHBondContact O-N 3.45Å; S108-D111 VanDerWaalsContact O-N 3.12Å; D109-D111 PolarHBondContact O-N 2.83Å; D111-Q113 PolarHBondContact O-N 2.86Å; D111-Q113 PolarHBondContact OD1-NE2 3.43Å; D111-Q113 VanDerWaalsContact OD1-NE2 3.1Å; D111-K114 HydrophobicContact CB-CB 4.38Å; D111-K114 HydrophobicContact CB-CD 3.79Å; D111-K114 HydrophobicContact CB-CG 4.01Å; D111-K114 VanDerWaalsContact CG-CE 3.44Å; D111-K114 WeakPolarHBondContact O-CA 3.48Å; D111-K114 VanDerWaalsContact O-CB 3.27Å; D111-K114 WeakPolarHBondContact O-CB 3.22Å; D111-K114 PolarHBondContact O-N 2.83Å; D111-K114 VanDerWaalsContact OD1-CE 3.3Å; D111-K114 WeakPolarHBondContact OD1-CE 3.2Å; D111-K114 IonicContact OD1-NZ 3.52Å; D111-K114 PolarHBondContact OD1-NZ 3.37Å; D111-K114 WeakPolarHBondContact OD2-CE 3.41Å; D111-K114 IonicContact OD2-NZ 2.63Å; D111-K114 PolarHBondContact OD2-NZ 2.99Å |
| 112 | A | 86 | Confident | 91.5 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 52% | 0.521 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -54.8 | -28.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S108 K114 Y115 | S108-A112 WeakPolarHBondContact O-CA 3.31Å; S108-A112 PolarHBondContact O-N 3.36Å; A112-K114 PolarHBondContact O-N 3.28Å; A112-Y115 WeakPolarHBondContact O-CB 3.35Å; A112-Y115 PolarHBondContact O-N 3.4Å; A112-Y115 VanDerWaalsContact O-N 3.11Å |
| 113 | Q | 87.9 | Confident | 91.8 | Very high | 135 Ų | 135 | 52.8 Ų | 52.8 | 63% | 0.631 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -63.9 | -15.3 | 172.7 | 72.2 | -76.5 | 0.8 | 0 | 0 | 114.7 | L19 D111 | L19-Q113 WeakPolarHBondContact CD2-O 3.44Å; D111-Q113 PolarHBondContact O-N 2.86Å; D111-Q113 PolarHBondContact OD1-NE2 3.43Å; D111-Q113 VanDerWaalsContact OD1-NE2 3.1Å |
| 114 | K | 90.7 | Very high | 92 | Very high | 98 Ų | 98 | 48.3 Ų | 48.3 | 43% | 0.426 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -87.6 | -11 | 175.3 | -62 | -173.5 | -170.4 | 159.1 | 0 | 112.7 | L19 D111 A112 C116 | L19-K114 WeakPolarHBondContact CD2-O 3.4Å; D111-K114 HydrophobicContact CB-CB 4.38Å; D111-K114 HydrophobicContact CB-CD 3.79Å; D111-K114 HydrophobicContact CB-CG 4.01Å; D111-K114 VanDerWaalsContact CG-CE 3.44Å; D111-K114 WeakPolarHBondContact O-CA 3.48Å; D111-K114 VanDerWaalsContact O-CB 3.27Å; D111-K114 WeakPolarHBondContact O-CB 3.22Å; D111-K114 PolarHBondContact O-N 2.83Å; D111-K114 VanDerWaalsContact OD1-CE 3.3Å; D111-K114 WeakPolarHBondContact OD1-CE 3.2Å; D111-K114 IonicContact OD1-NZ 3.52Å; D111-K114 PolarHBondContact OD1-NZ 3.37Å; D111-K114 WeakPolarHBondContact OD2-CE 3.41Å; D111-K114 IonicContact OD2-NZ 2.63Å; D111-K114 PolarHBondContact OD2-NZ 2.99Å; A112-K114 PolarHBondContact O-N 3.28Å; K114-C116 PolarHBondContact O-N 2.95Å |
| 115 | Y | 94.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 47 Ų | 47 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | trans | -73.4 | 127.3 | 172.5 | 172 | -104.8 | 0 | 0 | 0 | 110.1 | L24 W107 A112 D136 | L24-Y115 HydrophobicContact CD2-CD1 3.85Å; L24-Y115 HydrophobicContact CD2-CE1 3.43Å; L24-Y115 VanDerWaalsContact CD2-CE1 3.43Å; W107-Y115 AromaticContact CD1-CD2 3.8Å; W107-Y115 AromaticContact CD1-CE2 3.99Å; W107-Y115 HydrophobicContact CZ2-CE2 4.45Å; W107-Y115 AromaticContact NE1-CD2 3.57Å; W107-Y115 AromaticContact NE1-CE2 3.28Å; W107-Y115 VanDerWaalsContact NE1-CE2 3.28Å; A112-Y115 WeakPolarHBondContact O-CB 3.35Å; A112-Y115 PolarHBondContact O-N 3.4Å; A112-Y115 VanDerWaalsContact O-N 3.11Å; Y115-D136 VanDerWaalsContact CE2-OD2 3.25Å; Y115-D136 WeakPolarHBondContact CE2-OD2 3.48Å; Y115-D136 VanDerWaalsContact CZ-OD2 3.28Å; Y115-D136 PolarHBondContact OH-OD1 2.95Å; Y115-D136 PolarHBondContact OH-OD2 3.22Å | ||
| 116 | C | 96.2 | Very high | 92 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.034 | 23% | 0.234 | C | C | . | . | trans | -140.1 | 22.3 | 173.7 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | L18 L19 K23 L24 F25 K114 I118 | L18-C116 HydrophobicContact CB-CB 3.88Å; L19-C116 HydrophobicContact CD2-CB 4.27Å; K23-C116 WeakPolarHBondContact O-CB 3.41Å; L24-C116 CarbonylContact C-O 3.53Å; F25-C116 WeakPolarHBondContact CB-O 3.44Å; F25-C116 PolarHBondContact N-O 2.9Å; K114-C116 PolarHBondContact O-N 2.95Å; C116-I118 VanDerWaalsContact C-N 3.26Å; C116-I118 PolarHBondContact O-N 3.36Å; C116-I118 WeakPolarHBondContact SG-CG2 3.45Å | ||
| 117 | G | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 58.6 | 30.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D135 D136 | G117-D135 CarbonylContact O-C 3.51Å; G117-D135 WeakPolarHBondContact O-CA 3.42Å; G117-D136 WeakPolarHBondContact CA-OD2 3.4Å; G117-D136 PolarHBondContact O-N 2.86Å |
| 118 | I | 97.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132 | -178.1 | -171.5 | 172.2 | 0 | 0 | 0 | 110.7 | Y11 L14 R15 L18 F25 C116 V133 | Y11-I118 HydrophobicContact CD2-CD1 4.23Å; Y11-I118 HydrophobicContact CD2-CG1 4.04Å; Y11-I118 HydrophobicContact CE2-CG1 4.14Å; Y11-I118 HydrophobicContact CE2-CG2 4.09Å; L14-I118 HydrophobicContact CB-CD1 3.59Å; L14-I118 HydrophobicContact CD1-CD1 4.37Å; R15-I118 HydrophobicContact CB-CG2 4.11Å; R15-I118 HydrophobicContact CG-CG2 4.19Å; L18-I118 HydrophobicContact CD1-CB 4.2Å; L18-I118 HydrophobicContact CD1-CD1 3.84Å; L18-I118 HydrophobicContact CD1-CG2 4.19Å; F25-I118 HydrophobicContact CB-CB 3.81Å; F25-I118 HydrophobicContact CB-CG1 4.38Å; F25-I118 HydrophobicContact CD1-CB 3.87Å; F25-I118 HydrophobicContact CD1-CD1 3.97Å; F25-I118 HydrophobicContact CD1-CG1 3.59Å; F25-I118 HydrophobicContact CD2-CD1 4.33Å; F25-I118 HydrophobicContact CE1-CD1 4.22Å; F25-I118 HydrophobicContact CE1-CG1 4.05Å; F25-I118 HydrophobicContact CG-CB 4.01Å; F25-I118 HydrophobicContact CG-CD1 4.05Å; F25-I118 HydrophobicContact CG-CG1 4.02Å; C116-I118 VanDerWaalsContact C-N 3.26Å; C116-I118 PolarHBondContact O-N 3.36Å; C116-I118 WeakPolarHBondContact SG-CG2 3.45Å; I118-V133 HydrophobicContact CD1-CG1 3.68Å; I118-V133 HydrophobicContact CG1-CG1 3.63Å |
| 119 | F | 98 | Very high | 92.3 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 160.4 | -178.7 | -62.3 | -95.6 | 0 | 0 | 0 | 109.7 | L61 Q105 W107 F121 V133 V134 D136 L160 | L61-F119 HydrophobicContact CD1-CD1 4.03Å; L61-F119 HydrophobicContact CD1-CE1 4.01Å; L61-F119 HydrophobicContact CD2-CD1 4.42Å; L61-F119 HydrophobicContact CD2-CE1 4.44Å; Q105-F119 HydrophobicContact CB-CD1 4.16Å; Q105-F119 HydrophobicContact CB-CE1 4.42Å; Q105-F119 WeakPolarHBondContact O-CE1 3.47Å; Q105-F119 VanDerWaalsContact OE1-CA 3.28Å; W107-F119 HydrophobicContact CD2-CZ 4.29Å; W107-F119 AromaticContact CE2-CZ 3.89Å; W107-F119 HydrophobicContact CE3-CE1 4.21Å; W107-F119 HydrophobicContact CE3-CZ 4.15Å; W107-F119 AromaticContact CH2-CE1 3.74Å; W107-F119 HydrophobicContact CH2-CE1 3.74Å; W107-F119 HydrophobicContact CH2-CE2 4.11Å; W107-F119 AromaticContact CH2-CZ 3.32Å; W107-F119 HydrophobicContact CH2-CZ 3.32Å; W107-F119 HydrophobicContact CZ2-CE1 4.24Å; W107-F119 HydrophobicContact CZ2-CE2 4.01Å; W107-F119 AromaticContact CZ2-CZ 3.38Å; W107-F119 HydrophobicContact CZ2-CZ 3.38Å; W107-F119 AromaticContact CZ3-CE1 3.7Å; W107-F119 HydrophobicContact CZ3-CE1 3.7Å; W107-F119 AromaticContact CZ3-CZ 3.7Å; W107-F119 HydrophobicContact CZ3-CZ 3.7Å; F119-F121 HydrophobicContact CB-CE2 3.94Å; F119-F121 HydrophobicContact CB-CZ 4.48Å; F119-V133 CarbonylContact O-C 3.42Å; F119-V133 WeakPolarHBondContact O-CA 3.44Å; F119-V134 HydrophobicContact CB-CG2 4.13Å; F119-V134 PolarHBondContact N-O 2.96Å; F119-V134 PolarHBondContact O-N 3.14Å; F119-D136 HydrophobicContact CD2-CB 3.93Å; F119-D136 HydrophobicContact CE2-CB 3.58Å; F119-L160 HydrophobicContact CD1-CD1 3.76Å; F119-L160 HydrophobicContact CD2-CD1 4.04Å; F119-L160 HydrophobicContact CD2-CD2 4.28Å; F119-L160 HydrophobicContact CE1-CD1 3.94Å; F119-L160 HydrophobicContact CE2-CD1 4.25Å; F119-L160 HydrophobicContact CG-CD1 3.82Å; F119-L160 HydrophobicContact CZ-CD1 4.2Å |
| 120 | H | 97.9 | Very high | 93 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151.1 | 171.6 | 75.3 | 157.2 | 0 | 0 | 0 | 113.4 | Y11 D101 Q105 D131 V132 V133 | Y11-H120 VanDerWaalsContact CB-ND1 3.31Å; Y11-H120 WeakPolarHBondContact CB-ND1 3.19Å; Y11-H120 AromaticContact CD1-CD2 3.95Å; Y11-H120 AromaticContact CD1-CE1 3.52Å; Y11-H120 AromaticContact CD1-CG 3.99Å; Y11-H120 AromaticContact CD1-ND1 3.76Å; Y11-H120 AromaticContact CD1-NE2 3.62Å; Y11-H120 HydrophobicContact CD2-CB 3.84Å; Y11-H120 AromaticContact CD2-CG 3.74Å; Y11-H120 AromaticContact CE1-NE2 3.85Å; Y11-H120 HydrophobicContact CG-CB 4.03Å; Y11-H120 AromaticContact CG-CD2 3.91Å; Y11-H120 AromaticContact CG-CE1 3.76Å; Y11-H120 AromaticContact CG-CG 3.54Å; Y11-H120 AromaticContact CG-ND1 3.49Å; D101-H120 IonicContact OD2-CE1 3.01Å; D101-H120 IonicContact OD2-NE2 3.11Å; Q105-H120 PolarHBondContact NE2-O 3.5Å; Q105-H120 VanDerWaalsContact NE2-O 3.14Å; Q105-H120 PolarHBondContact OE1-CD2 3.42Å; Q105-H120 PolarHBondContact OE1-O 3.25Å; H120-D131 WeakPolarHBondContact CB-OD1 3.22Å; H120-D131 IonicContact CE1-OD1 3.88Å; H120-D131 IonicContact CG-OD1 2.54Å; H120-D131 IonicContact ND1-OD1 3.31Å; H120-D131 PolarHBondContact ND1-OD1 2.81Å; H120-D131 IonicContact ND1-OD2 2.76Å; H120-D131 PolarHBondContact ND1-OD2 2.79Å; H120-V132 VanDerWaalsContact CA-O 3.24Å; H120-V132 WeakPolarHBondContact CA-O 3.33Å; H120-V133 HydrophobicContact CB-CG2 4.2Å |
| 121 | F | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.4 | -177.8 | -58.1 | -89.9 | 0 | 0 | 0 | 108.7 | V98 I99 F119 F123 V132 V134 L160 L161 A164 | V98-F121 CarbonylContact O-C 3.52Å; V98-F121 VanDerWaalsContact O-CA 3.23Å; V98-F121 WeakPolarHBondContact O-CA 3.43Å; I99-F121 HydrophobicContact CB-CD1 4.39Å; I99-F121 HydrophobicContact CD1-CE1 4.32Å; I99-F121 HydrophobicContact CG1-CD1 3.97Å; I99-F121 HydrophobicContact CG1-CE1 4.13Å; I99-F121 HydrophobicContact CG2-CD1 4.08Å; I99-F121 HydrophobicContact CG2-CE1 3.83Å; F119-F121 HydrophobicContact CB-CE2 3.94Å; F119-F121 HydrophobicContact CB-CZ 4.48Å; F121-F123 HydrophobicContact CB-CE2 3.93Å; F121-F123 HydrophobicContact CB-CZ 4.27Å; F121-V132 PolarHBondContact N-O 2.8Å; F121-V132 PolarHBondContact O-N 2.83Å; F121-V134 HydrophobicContact CD2-CG2 4.24Å; F121-V134 HydrophobicContact CE2-CG2 4Å; F121-L160 HydrophobicContact CE2-CB 3.67Å; F121-L160 WeakPolarHBondContact CE2-O 3.17Å; F121-L160 HydrophobicContact CZ-CB 3.45Å; F121-L160 VanDerWaalsContact CZ-CB 3.45Å; F121-L161 HydrophobicContact CB-CD1 3.93Å; F121-L161 HydrophobicContact CD1-CB 4.03Å; F121-L161 HydrophobicContact CD1-CD1 3.43Å; F121-L161 VanDerWaalsContact CD1-CD1 3.43Å; F121-L161 HydrophobicContact CD1-CG 4.34Å; F121-L161 HydrophobicContact CE1-CB 3.94Å; F121-L161 HydrophobicContact CE1-CD1 4.18Å; F121-L161 HydrophobicContact CG-CD1 3.86Å; F121-A164 HydrophobicContact CB-CB 3.88Å; F121-A164 HydrophobicContact CD2-CB 3.5Å; F121-A164 HydrophobicContact CE2-CB 4.4Å; F121-A164 HydrophobicContact CG-CB 3.97Å |
| 122 | C | 96.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.034 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.8 | 177.6 | -69.5 | 0 | 0 | 0 | 0 | 111.3 | K97 V98 W129 V130 | K97-C122 VanDerWaalsContact O-CB 3.27Å; K97-C122 WeakPolarHBondContact O-CB 3.41Å; V98-C122 WeakPolarHBondContact CA-O 3.35Å; V98-C122 PolarHBondContact O-N 3.47Å; C122-W129 HydrophobicContact CB-CE3 4.04Å; C122-V130 VanDerWaalsContact CA-O 3.23Å; C122-V130 WeakPolarHBondContact CA-O 3.24Å |
| 123 | F | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 144.9 | 172.2 | -59.2 | -84.3 | 0 | 0 | 0 | 109.6 | F81 F121 V130 V132 L161 A164 F165 L168 A186 | F81-F123 HydrophobicContact CE2-CE1 4.2Å; F81-F123 HydrophobicContact CZ-CE1 4.29Å; F121-F123 HydrophobicContact CB-CE2 3.93Å; F121-F123 HydrophobicContact CB-CZ 4.27Å; F123-V130 PolarHBondContact N-O 3.22Å; F123-V130 PolarHBondContact O-N 2.86Å; F123-V132 HydrophobicContact CD2-CG2 4.01Å; F123-V132 HydrophobicContact CE2-CG2 4.47Å; F123-L161 HydrophobicContact CE1-CD1 3.79Å; F123-L161 HydrophobicContact CE1-CG 4.48Å; F123-L161 HydrophobicContact CE2-CD1 4.45Å; F123-L161 HydrophobicContact CZ-CD1 3.46Å; F123-L161 VanDerWaalsContact CZ-CD1 3.46Å; F123-L161 HydrophobicContact CZ-CG 4.23Å; F123-A164 HydrophobicContact CE2-CB 3.82Å; F123-A164 HydrophobicContact CZ-CB 4.3Å; F123-F165 AromaticContact CD1-CD2 3.71Å; F123-F165 HydrophobicContact CD1-CD2 3.71Å; F123-F165 HydrophobicContact CD1-CE2 4.24Å; F123-F165 HydrophobicContact CD2-CD2 4.46Å; F123-F165 HydrophobicContact CE1-CB 4.03Å; F123-F165 AromaticContact CE1-CD2 3.65Å; F123-F165 HydrophobicContact CE1-CD2 3.65Å; F123-F165 HydrophobicContact CE1-CG 4.15Å; F123-F165 HydrophobicContact CE2-CB 4.29Å; F123-F165 HydrophobicContact CE2-CD2 4.41Å; F123-F165 HydrophobicContact CG-CD2 4.12Å; F123-F165 HydrophobicContact CZ-CB 3.7Å; F123-F165 HydrophobicContact CZ-CD2 4.01Å; F123-F165 HydrophobicContact CZ-CG 4.28Å; F123-L168 HydrophobicContact CB-CD2 3.69Å; F123-L168 HydrophobicContact CD2-CD2 3.94Å; F123-L168 HydrophobicContact CG-CD2 3.94Å; F123-A186 CarbonylContact C-O 3.39Å; F123-A186 WeakPolarHBondContact CA-O 2.94Å |
| 124 | W | 93.7 | Very high | 95.4 | Very high | 18 Ų | 18 | 19.4 Ų | 19.4 | 7% | 0.068 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.3 | 172.4 | -170.4 | 98.5 | 0 | 0 | 0 | 110.1 | G127 S128 W129 V185 A186 G189 M411 M489 | W124-G127 VanDerWaalsContact CH2-N 3.31Å; W124-G127 VanDerWaalsContact CZ2-CA 3.43Å; W124-S128 CarbonylContact C-O 3.43Å; W124-S128 WeakPolarHBondContact CA-O 3.33Å; W124-W129 HydrophobicContact CB-CD2 4.19Å; W124-W129 HydrophobicContact CB-CE3 4.14Å; W124-W129 HydrophobicContact CB-CH2 4.24Å; W124-W129 HydrophobicContact CB-CZ2 4.26Å; W124-W129 HydrophobicContact CB-CZ3 4.17Å; W124-W129 AromaticContact CD1-CE2 3.96Å; W124-W129 AromaticContact CD1-NE1 3.78Å; W124-V185 HydrophobicContact CE3-CG1 3.59Å; W124-V185 HydrophobicContact CZ3-CG1 3.54Å; W124-A186 PolarHBondContact N-O 3.02Å; W124-G189 VanDerWaalsContact CD2-CA 3.49Å; W124-M411 HydrophobicContact CH2-SD 3.89Å; W124-M411 HydrophobicContact CZ3-CE 4.11Å; W124-M411 HydrophobicContact CZ3-SD 3.62Å; W124-M489 HydrophobicContact CH2-CE 3.53Å; W124-M489 HydrophobicContact CH2-SD 4.02Å; W124-M489 HydrophobicContact CZ2-CE 4.14Å; W124-M489 HydrophobicContact CZ2-SD 4.16Å |
| 125 | R | 90.9 | Very high | 95.8 | Very high | 49 Ų | 49 | 14.8 Ų | 14.8 | 19% | 0.185 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 121.6 | 173.7 | -64.9 | -70.9 | -91.7 | 162.1 | -4.4 | 109.3 | G127 S128 V130 L168 G414 E459 | R125-G127 VanDerWaalsContact C-N 3.3Å; R125-G127 PolarHBondContact O-N 3.44Å; R125-G127 VanDerWaalsContact O-N 3.1Å; R125-S128 PolarHBondContact N-O 3.4Å; R125-S128 PolarHBondContact O-N 3.41Å; R125-S128 VanDerWaalsContact O-O 3.09Å; R125-S128 PolarHBondContact O-OG 3.47Å; R125-V130 HydrophobicContact CB-CG2 3.94Å; R125-V130 HydrophobicContact CG-CG2 4.23Å; R125-L168 HydrophobicContact CG-CD1 4.35Å; R125-L168 HydrophobicContact CG-CD2 3.94Å; R125-G414 PolarHBondContact NH2-O 2.99Å; R125-E459 IonicContact NH1-OE1 3.39Å; R125-E459 PolarHBondContact NH1-OE1 3.05Å; R125-E459 VanDerWaalsContact NH1-OE1 3.17Å |
| 126 | F | 91.2 | Very high | 96 | Very high | 17 Ų | 17 | 11.3 Ų | 11.3 | 8% | 0.075 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 47.5 | 162.8 | -156.4 | -105.5 | 0 | 0 | 0 | 114.5 | M411 R413 E487 M489 | F126-M411 HydrophobicContact CD2-CG 4.23Å; F126-M411 HydrophobicContact CD2-SD 4.07Å; F126-M411 WeakPolarHBondContact CE2-O 3.32Å; F126-R413 HydrophobicContact CD2-CB 4.13Å; F126-R413 HydrophobicContact CE1-CB 4.27Å; F126-R413 HydrophobicContact CE2-CB 3.82Å; F126-R413 VanDerWaalsContact CE2-N 3.33Å; F126-R413 HydrophobicContact CG-CB 4.48Å; F126-R413 HydrophobicContact CZ-CB 3.85Å; F126-E487 HydrophobicContact CZ-CB 4.4Å; F126-M489 HydrophobicContact CD1-CB 4.49Å; F126-M489 HydrophobicContact CD2-CB 4.02Å; F126-M489 HydrophobicContact CE1-CB 4.18Å; F126-M489 HydrophobicContact CE2-CB 3.65Å; F126-M489 HydrophobicContact CG-CB 4.44Å; F126-M489 HydrophobicContact CZ-CB 3.77Å |
| 127 | G | 90.8 | Very high | 96.1 | Very high | 23 Ų | 23 | 12.1 Ų | 12.1 | 24% | 0.237 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -4.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | W124 R125 M489 | W124-G127 VanDerWaalsContact CH2-N 3.31Å; W124-G127 VanDerWaalsContact CZ2-CA 3.43Å; R125-G127 VanDerWaalsContact C-N 3.3Å; R125-G127 PolarHBondContact O-N 3.44Å; R125-G127 VanDerWaalsContact O-N 3.1Å; G127-M489 PolarHBondContact N-SD 3.09Å |
| 128 | S | 92.1 | Very high | 96.2 | Very high | 28 Ų | 28 | 12.1 Ų | 12.1 | 20% | 0.196 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.3 | -177.1 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | W124 R125 | W124-S128 CarbonylContact C-O 3.43Å; W124-S128 WeakPolarHBondContact CA-O 3.33Å; R125-S128 PolarHBondContact N-O 3.4Å; R125-S128 PolarHBondContact O-N 3.41Å; R125-S128 VanDerWaalsContact O-O 3.09Å; R125-S128 PolarHBondContact O-OG 3.47Å |
| 129 | W | 94.6 | Very high | 96.2 | Very high | 47 Ų | 47 | 12 Ų | 12 | 18% | 0.178 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.1 | 167 | -71.7 | 90.2 | 0 | 0 | 0 | 109 | S3 Q4 K97 V98 C122 W124 I187 | S3-W129 CarbonylContact C-O 3.06Å; S3-W129 WeakPolarHBondContact CA-O 3.24Å; S3-W129 WeakPolarHBondContact CB-O 3.48Å; Q4-W129 PolarHBondContact N-O 2.78Å; K97-W129 HydrophobicContact CB-CH2 4.21Å; K97-W129 HydrophobicContact CB-CZ2 4.46Å; K97-W129 HydrophobicContact CB-CZ3 4.39Å; K97-W129 HydrophobicContact CD-CH2 4.34Å; K97-W129 HydrophobicContact CD-CZ2 3.88Å; V98-W129 HydrophobicContact CG2-CZ3 4.25Å; C122-W129 HydrophobicContact CB-CE3 4.04Å; W124-W129 HydrophobicContact CB-CD2 4.19Å; W124-W129 HydrophobicContact CB-CE3 4.14Å; W124-W129 HydrophobicContact CB-CH2 4.24Å; W124-W129 HydrophobicContact CB-CZ2 4.26Å; W124-W129 HydrophobicContact CB-CZ3 4.17Å; W124-W129 AromaticContact CD1-CE2 3.96Å; W124-W129 AromaticContact CD1-NE1 3.78Å; W129-I187 WeakPolarHBondContact CH2-O 3.42Å |
| 130 | V | 95.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 11.9 Ų | 11.9 | 9% | 0.091 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.8 | -178.6 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | Q4 F6 C122 F123 R125 V132 L168 | Q4-V130 CarbonylContact O-C 3.57Å; Q4-V130 WeakPolarHBondContact O-CA 3.43Å; F6-V130 HydrophobicContact CB-CG1 3.72Å; F6-V130 HydrophobicContact CD2-CG1 3.96Å; F6-V130 HydrophobicContact CG-CG1 4.24Å; C122-V130 VanDerWaalsContact CA-O 3.23Å; C122-V130 WeakPolarHBondContact CA-O 3.24Å; F123-V130 PolarHBondContact N-O 3.22Å; F123-V130 PolarHBondContact O-N 2.86Å; R125-V130 HydrophobicContact CB-CG2 3.94Å; R125-V130 HydrophobicContact CG-CG2 4.23Å; V130-V132 HydrophobicContact CG1-CG2 4.16Å; V130-L168 HydrophobicContact CG1-CD1 4.18Å |
| 131 | D | 97.5 | Very high | 96.1 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 8% | 0.08 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.9 | 179 | -170.9 | 19.2 | 0 | 0 | 0 | 109.9 | Q4 F6 H120 | Q4-D131 PolarHBondContact O-N 2.8Å; F6-D131 WeakPolarHBondContact CB-O 3.43Å; F6-D131 PolarHBondContact N-O 2.82Å; H120-D131 WeakPolarHBondContact CB-OD1 3.22Å; H120-D131 IonicContact CE1-OD1 3.88Å; H120-D131 IonicContact CG-OD1 2.54Å; H120-D131 IonicContact ND1-OD1 3.31Å; H120-D131 PolarHBondContact ND1-OD1 2.81Å; H120-D131 IonicContact ND1-OD2 2.76Å; H120-D131 PolarHBondContact ND1-OD2 2.79Å |
| 132 | V | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 109.4 | -175.9 | -174 | 0 | 0 | 0 | 0 | 109.1 | F6 H120 F121 F123 V130 V134 A164 K167 L168 | F6-V132 HydrophobicContact CB-CG2 4.04Å; F6-V132 HydrophobicContact CD1-CG1 4.24Å; F6-V132 HydrophobicContact CG-CG2 4.29Å; H120-V132 VanDerWaalsContact CA-O 3.24Å; H120-V132 WeakPolarHBondContact CA-O 3.33Å; F121-V132 PolarHBondContact N-O 2.8Å; F121-V132 PolarHBondContact O-N 2.83Å; F123-V132 HydrophobicContact CD2-CG2 4.01Å; F123-V132 HydrophobicContact CE2-CG2 4.47Å; V130-V132 HydrophobicContact CG1-CG2 4.16Å; V132-V134 HydrophobicContact CG1-CG1 4.42Å; V132-A164 HydrophobicContact CB-CB 4.27Å; V132-A164 HydrophobicContact CG1-CB 4.03Å; V132-K167 HydrophobicContact CG1-CB 4.32Å; V132-K167 HydrophobicContact CG1-CD 3.8Å; V132-K167 HydrophobicContact CG1-CG 4.11Å; V132-L168 HydrophobicContact CG2-CB 4.36Å; V132-L168 HydrophobicContact CG2-CD1 4.11Å |
| 133 | V | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 139.1 | 174 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | Q9 L14 F25 I118 F119 H120 K167 | Q9-V133 HydrophobicContact CB-CB 4.17Å; Q9-V133 HydrophobicContact CB-CG2 4.13Å; Q9-V133 WeakPolarHBondContact O-CG2 3.44Å; L14-V133 HydrophobicContact CD1-CG1 4.19Å; F25-V133 HydrophobicContact CE1-CG1 3.71Å; F25-V133 HydrophobicContact CZ-CG1 4.05Å; I118-V133 HydrophobicContact CD1-CG1 3.68Å; I118-V133 HydrophobicContact CG1-CG1 3.63Å; F119-V133 CarbonylContact O-C 3.42Å; F119-V133 WeakPolarHBondContact O-CA 3.44Å; H120-V133 HydrophobicContact CB-CG2 4.2Å; V133-K167 PolarHBondContact O-NZ 3.16Å |
| 134 | V | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.4 | 172.8 | -67 | 0 | 0 | 0 | 0 | 110.6 | F119 F121 V132 K163 A164 K167 | F119-V134 HydrophobicContact CB-CG2 4.13Å; F119-V134 PolarHBondContact N-O 2.96Å; F119-V134 PolarHBondContact O-N 3.14Å; F121-V134 HydrophobicContact CD2-CG2 4.24Å; F121-V134 HydrophobicContact CE2-CG2 4Å; V132-V134 HydrophobicContact CG1-CG1 4.42Å; V134-K163 HydrophobicContact CB-CD 4.32Å; V134-K163 HydrophobicContact CG1-CG 4.29Å; V134-A164 HydrophobicContact CG1-CB 3.87Å; V134-A164 HydrophobicContact CG2-CB 4.43Å; V134-K167 HydrophobicContact CG1-CB 4.49Å; V134-K167 HydrophobicContact CG1-CD 3.92Å |
| 135 | D | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 171.3 | 160 | 71.2 | 40.5 | 0 | 0 | 0 | 111.1 | F25 T26 D27 G117 L137 K163 | F25-D135 HydrophobicContact CB-CB 4.35Å; F25-D135 HydrophobicContact CD1-CB 3.61Å; F25-D135 HydrophobicContact CE1-CB 4.25Å; F25-D135 HydrophobicContact CG-CB 4.28Å; F25-D135 WeakPolarHBondContact O-CB 3.49Å; T26-D135 VanDerWaalsContact CA-OD2 3.31Å; T26-D135 WeakPolarHBondContact CA-OD2 3.44Å; D27-D135 HydrophobicContact CB-CB 4.2Å; D27-D135 WeakPolarHBondContact CB-OD2 3.25Å; D27-D135 PolarHBondContact N-OD2 3.19Å; G117-D135 CarbonylContact O-C 3.51Å; G117-D135 WeakPolarHBondContact O-CA 3.42Å; D135-L137 VanDerWaalsContact OD1-CB 3.3Å; D135-L137 WeakPolarHBondContact OD1-CB 3.24Å; D135-L137 PolarHBondContact OD1-N 2.78Å; D135-K163 PolarHBondContact O-NZ 3.27Å; D135-K163 IonicContact OD1-NZ 2.7Å; D135-K163 PolarHBondContact OD1-NZ 3.01Å |
| 136 | D | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -96.4 | 16.9 | 177.6 | 64.7 | 0.4 | 0 | 0 | 0 | 115.1 | R51 P52 Y115 G117 F119 L138 L160 | R51-D136 WeakPolarHBondContact CD-OD1 3.16Å; R51-D136 WeakPolarHBondContact CG-OD1 3.26Å; R51-D136 IonicContact CZ-OD1 3.85Å; R51-D136 IonicContact NE-OD1 2.85Å; R51-D136 IonicContact NH1-OD1 3.56Å; R51-D136 PolarHBondContact NH1-OD1 3.26Å; P52-D136 VanDerWaalsContact CD-O 3.27Å; P52-D136 WeakPolarHBondContact CD-O 3.28Å; P52-D136 HydrophobicContact CG-CB 4.28Å; Y115-D136 VanDerWaalsContact CE2-OD2 3.25Å; Y115-D136 WeakPolarHBondContact CE2-OD2 3.48Å; Y115-D136 VanDerWaalsContact CZ-OD2 3.28Å; Y115-D136 PolarHBondContact OH-OD1 2.95Å; Y115-D136 PolarHBondContact OH-OD2 3.22Å; G117-D136 WeakPolarHBondContact CA-OD2 3.4Å; G117-D136 PolarHBondContact O-N 2.86Å; F119-D136 HydrophobicContact CD2-CB 3.93Å; F119-D136 HydrophobicContact CE2-CB 3.58Å; D136-L138 PolarHBondContact O-N 3.22Å; D136-L138 VanDerWaalsContact O-N 3.15Å; D136-L160 HydrophobicContact CB-CD2 3.9Å |
| 137 | L | 98.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 12% | 0.115 | 16% | 0.157 | C | C | . | . | trans | -69.8 | 113.3 | 168.9 | -67.8 | 162.7 | 0 | 0 | 0 | 108.2 | T26 P32 W49 R51 D135 K163 | T26-L137 HydrophobicContact CG2-CD1 4.46Å; P32-L137 HydrophobicContact CB-CB 4.17Å; P32-L137 HydrophobicContact CB-CD1 3.92Å; P32-L137 HydrophobicContact CG-CD1 3.78Å; W49-L137 HydrophobicContact CB-CB 4.36Å; W49-L137 HydrophobicContact CE3-CB 4.13Å; W49-L137 WeakPolarHBondContact CZ3-O 3.19Å; R51-L137 HydrophobicContact CG-CD2 3.56Å; R51-L137 HydrophobicContact CG-CG 4.17Å; D135-L137 VanDerWaalsContact OD1-CB 3.3Å; D135-L137 WeakPolarHBondContact OD1-CB 3.24Å; D135-L137 PolarHBondContact OD1-N 2.78Å; L137-K163 PolarHBondContact O-NZ 2.83Å | ||
| 138 | L | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 143.8 | -175.2 | -68.8 | 169.7 | 0 | 0 | 0 | 111.6 | W49 K50 P52 D136 T140 L145 F156 A159 L160 K163 | W49-L138 WeakPolarHBondContact CA-O 3.47Å; K50-L138 PolarHBondContact N-O 3.19Å; K50-L138 PolarHBondContact O-N 2.76Å; P52-L138 HydrophobicContact CG-CD1 4.21Å; D136-L138 PolarHBondContact O-N 3.22Å; D136-L138 VanDerWaalsContact O-N 3.15Å; L138-T140 PolarHBondContact O-N 3.49Å; L138-L145 HydrophobicContact CB-CD2 3.63Å; L138-L145 HydrophobicContact CD1-CD2 3.81Å; L138-L145 HydrophobicContact CG-CD2 4.3Å; L138-F156 HydrophobicContact CD1-CD1 3.63Å; L138-F156 HydrophobicContact CD1-CE1 4.23Å; L138-A159 HydrophobicContact CD1-CB 3.94Å; L138-A159 HydrophobicContact CD2-CB 4.05Å; L138-L160 HydrophobicContact CD2-CD2 4.09Å; L138-L160 HydrophobicContact CG-CD2 4.46Å; L138-K163 HydrophobicContact CD2-CD 4.18Å |
| 139 | P | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 127.1 | 175.2 | -21.9 | 35.3 | 0 | 0 | 0 | 112 | L37 V47 W49 I146 Y147 Y172 | L37-P139 HydrophobicContact CD2-CB 3.89Å; L37-P139 HydrophobicContact CD2-CG 3.61Å; V47-P139 HydrophobicContact CG1-CB 3.77Å; W49-P139 HydrophobicContact CE3-CG 4.11Å; W49-P139 HydrophobicContact CH2-CG 3.82Å; W49-P139 HydrophobicContact CZ2-CG 4.25Å; W49-P139 HydrophobicContact CZ3-CG 3.73Å; P139-I146 HydrophobicContact CB-CD1 4.07Å; P139-I146 HydrophobicContact CB-CG1 4.04Å; P139-I146 PolarHBondContact O-N 3.09Å; P139-Y147 HydrophobicContact CB-CD2 3.9Å; P139-Y147 HydrophobicContact CB-CE2 3.72Å; P139-Y147 HydrophobicContact CG-CD2 3.84Å; P139-Y147 HydrophobicContact CG-CE2 3.73Å; P139-Y172 HydrophobicContact CG-CD2 4.3Å; P139-Y172 HydrophobicContact CG-CE2 3.63Å |
| 140 | T | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.5 | -179.2 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | V47 E48 K50 I55 L138 R144 L145 | V47-T140 WeakPolarHBondContact CA-O 3.43Å; E48-T140 PolarHBondContact N-O 2.9Å; E48-T140 WeakPolarHBondContact O-CA 3.44Å; E48-T140 PolarHBondContact O-N 3.19Å; E48-T140 PolarHBondContact O-OG1 3.04Å; K50-T140 HydrophobicContact CB-CG2 4.23Å; I55-T140 HydrophobicContact CD1-CG2 3.71Å; I55-T140 HydrophobicContact CG1-CG2 4.25Å; L138-T140 PolarHBondContact O-N 3.49Å; T140-R144 CarbonylContact C-O 3.6Å; T140-R144 WeakPolarHBondContact CA-O 3.39Å; T140-R144 VanDerWaalsContact CB-O 3.27Å; T140-R144 WeakPolarHBondContact CB-O 3.23Å; T140-L145 HydrophobicContact CG2-CD2 4.22Å |
| 141 | R | 95.7 | Very high | 96.2 | Very high | 85 Ų | 85 | 33.2 Ų | 33.2 | 32% | 0.321 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131 | 159.9 | -77.7 | -178.7 | 179.4 | 148.5 | 9.4 | 108 | E45 S143 R144 I146 | E45-R141 PolarHBondContact O-NE 2.81Å; E45-R141 VanDerWaalsContact O-NE 3.12Å; E45-R141 PolarHBondContact O-NH2 3.02Å; E45-R141 VanDerWaalsContact O-NH2 3.16Å; E45-R141 IonicContact OE2-NH2 3.81Å; E45-R141 PolarHBondContact OE2-NH2 3.39Å; R141-S143 PolarHBondContact O-N 3.21Å; R141-R144 PolarHBondContact N-O 3.21Å; R141-R144 PolarHBondContact O-N 2.79Å; R141-I146 HydrophobicContact CB-CG2 3.8Å; R141-I146 HydrophobicContact CG-CG2 3.87Å |
| 142 | N | 93.5 | Very high | 95.9 | Very high | 150 Ų | 150 | 35.1 Ų | 35.1 | 80% | 0.802 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42.3 | -177.9 | -56.7 | -38.1 | 0 | 0 | 0 | 112.9 | R144 | N142-R144 PolarHBondContact O-N 3.39Š|
| 143 | S | 93 | Very high | 95.6 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 33% | 0.329 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29.7 | -174.8 | -57.1 | 0 | 0 | 0 | 0 | 114.6 | K50 I55 R141 | K50-S143 PolarHBondContact NZ-OG 2.96Å; I55-S143 WeakPolarHBondContact CG2-O 3.3Å; R141-S143 PolarHBondContact O-N 3.21Å |
| 144 | R | 95.1 | Very high | 95.4 | Very high | 160 Ų | 160 | 44.8 Ų | 44.8 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137 | 169.5 | -62.8 | -175.2 | -176.7 | -169.5 | 1 | 109.6 | T140 R141 N142 | T140-R144 CarbonylContact C-O 3.6Å; T140-R144 WeakPolarHBondContact CA-O 3.39Å; T140-R144 VanDerWaalsContact CB-O 3.27Å; T140-R144 WeakPolarHBondContact CB-O 3.23Å; R141-R144 PolarHBondContact N-O 3.21Å; R141-R144 PolarHBondContact O-N 2.79Å; N142-R144 PolarHBondContact O-N 3.39Å |
| 145 | L | 97.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 138.7 | 171.3 | -64.2 | 173.8 | 0 | 0 | 0 | 109.4 | I55 L138 T140 H149 F156 A159 | I55-L145 HydrophobicContact CD1-CD2 4.08Å; L138-L145 HydrophobicContact CB-CD2 3.63Å; L138-L145 HydrophobicContact CD1-CD2 3.81Å; L138-L145 HydrophobicContact CG-CD2 4.3Å; T140-L145 HydrophobicContact CG2-CD2 4.22Å; L145-H149 HydrophobicContact CB-CB 4.06Å; L145-H149 HydrophobicContact CD1-CB 3.75Å; L145-F156 HydrophobicContact CD1-CD1 4.08Å; L145-F156 HydrophobicContact CD1-CE1 3.96Å; L145-A159 HydrophobicContact CD1-CB 4.05Å |
| 146 | I | 95.9 | Very high | 95.2 | Very high | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | trans | -107.1 | -13.8 | -179.2 | 61.3 | 174.6 | 0 | 0 | 0 | 113.4 | V47 G74 V75 P139 R141 | V47-I146 HydrophobicContact CG1-CD1 3.94Å; V47-I146 HydrophobicContact CG2-CD1 3.76Å; G74-I146 CarbonylContact C-O 3.58Å; G74-I146 WeakPolarHBondContact CA-O 3.22Å; V75-I146 HydrophobicContact CG2-CB 4.39Å; V75-I146 WeakPolarHBondContact CG2-O 3.44Å; V75-I146 PolarHBondContact N-O 2.84Å; P139-I146 HydrophobicContact CB-CD1 4.07Å; P139-I146 HydrophobicContact CB-CG1 4.04Å; P139-I146 PolarHBondContact O-N 3.09Å; R141-I146 HydrophobicContact CB-CG2 3.8Å; R141-I146 HydrophobicContact CG-CG2 3.87Å | ||
| 147 | Y | 96 | Very high | 95 | Very high | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -111.8 | -145.1 | 179.1 | -55.3 | -50.3 | 0 | 0 | 0 | 110.6 | L37 G74 V75 L76 P139 H149 E162 Y172 | L37-Y147 HydrophobicContact CD2-CE2 3.86Å; G74-Y147 WeakPolarHBondContact CA-O 3.41Å; G74-Y147 PolarHBondContact N-O 3.1Å; V75-Y147 HydrophobicContact CG2-CD1 4.09Å; V75-Y147 HydrophobicContact CG2-CE1 3.96Å; L76-Y147 HydrophobicContact CB-CD1 3.72Å; L76-Y147 HydrophobicContact CB-CE1 4.04Å; L76-Y147 HydrophobicContact CD1-CE1 4.34Å; L76-Y147 HydrophobicContact CD2-CD1 4.3Å; L76-Y147 HydrophobicContact CD2-CE1 4.49Å; P139-Y147 HydrophobicContact CB-CD2 3.9Å; P139-Y147 HydrophobicContact CB-CE2 3.72Å; P139-Y147 HydrophobicContact CG-CD2 3.84Å; P139-Y147 HydrophobicContact CG-CE2 3.73Å; Y147-H149 PolarHBondContact O-N 3.07Å; Y147-H149 PolarHBondContact O-ND1 3.48Å; Y147-E162 WeakPolarHBondContact CB-OE2 3.27Å; Y147-Y172 AromaticContact CD2-CD1 3.26Å; Y147-Y172 HydrophobicContact CD2-CD1 3.26Å; Y147-Y172 HydrophobicContact CD2-CD2 4.32Å; Y147-Y172 AromaticContact CD2-CE1 3.27Å; Y147-Y172 HydrophobicContact CD2-CE1 3.27Å; Y147-Y172 HydrophobicContact CD2-CE2 4.32Å; Y147-Y172 AromaticContact CD2-CG 3.81Å; Y147-Y172 HydrophobicContact CD2-CG 3.81Å; Y147-Y172 AromaticContact CD2-CZ 3.82Å; Y147-Y172 AromaticContact CE2-CD1 3.41Å; Y147-Y172 HydrophobicContact CE2-CD1 3.41Å; Y147-Y172 VanDerWaalsContact CE2-CD1 3.41Å; Y147-Y172 AromaticContact CE2-CD2 3.87Å; Y147-Y172 HydrophobicContact CE2-CD2 3.87Å; Y147-Y172 AromaticContact CE2-CE1 3.81Å; Y147-Y172 HydrophobicContact CE2-CE1 3.81Å; Y147-Y172 HydrophobicContact CE2-CE2 4.22Å; Y147-Y172 AromaticContact CE2-CG 3.42Å; Y147-Y172 HydrophobicContact CE2-CG 3.42Å; Y147-Y172 VanDerWaalsContact CE2-CG 3.42Å; Y147-Y172 AromaticContact CG-CD1 3.89Å; Y147-Y172 HydrophobicContact CG-CD1 3.89Å; Y147-Y172 AromaticContact CG-CE1 4Å; Y147-Y172 HydrophobicContact CG-CE1 4Å |
| 148 | A | 94.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -57.6 | 132.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L72 A159 E162 | L72-A148 WeakPolarHBondContact O-CA 3.48Å; A148-A159 WeakPolarHBondContact O-CA 3.26Å; A148-A159 VanDerWaalsContact O-CB 3.24Å; A148-A159 WeakPolarHBondContact O-CB 3.42Å; A148-E162 HydrophobicContact CB-CB 3.85Å; A148-E162 HydrophobicContact CB-CG 4.13Å; A148-E162 WeakPolarHBondContact CB-OE1 3.41Å; A148-E162 WeakPolarHBondContact CB-OE2 3.35Å; A148-E162 PolarHBondContact N-OE1 3.16Å; A148-E162 PolarHBondContact N-OE2 3.44Å |
| 149 | H | 94.5 | Very high | 94.7 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 27% | 0.269 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -154 | 160.8 | -177.7 | 62.1 | -76.7 | 0 | 0 | 0 | 112 | D70 L72 L145 Y147 C158 | D70-H149 CarbonylContact O-C 3.47Å; L72-H149 WeakPolarHBondContact CA-O 3.25Å; L72-H149 VanDerWaalsContact CB-O 3.28Å; L72-H149 WeakPolarHBondContact CB-O 3.4Å; L72-H149 PolarHBondContact N-O 3.07Å; L72-H149 PolarHBondContact O-N 2.81Å; L72-H149 VanDerWaalsContact O-N 3.09Å; L145-H149 HydrophobicContact CB-CB 4.06Å; L145-H149 HydrophobicContact CD1-CB 3.75Å; Y147-H149 PolarHBondContact O-N 3.07Å; Y147-H149 PolarHBondContact O-ND1 3.48Å; H149-C158 WeakPolarHBondContact CA-SG 3.21Å |
| 150 | S | 92.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | trans | -88.8 | 152.2 | 174 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | D70 T152 E155 C158 | D70-S150 WeakPolarHBondContact CA-OG 3.33Å; D70-S150 VanDerWaalsContact O-CA 3.24Å; D70-S150 WeakPolarHBondContact O-CA 3.39Å; D70-S150 WeakPolarHBondContact O-CB 3.5Å; D70-S150 PolarHBondContact O-N 2.69Å; S150-T152 WeakPolarHBondContact CB-O 3.21Å; S150-T152 PolarHBondContact O-N 2.82Å; S150-T152 WeakPolarHBondContact OG-CB 3.3Å; S150-T152 PolarHBondContact OG-N 3.47Å; S150-E155 PolarHBondContact OG-OE2 3.45Å; S150-C158 PolarHBondContact N-SG 3.2Å; S150-C158 VanDerWaalsContact N-SG 3.44Å | ||
| 151 | K | 88.3 | Confident | 94.7 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -57.9 | -35.7 | 163.9 | -71.2 | 179.3 | -172.7 | 165 | 0 | 110.7 | D69 L72 R153 N323 | D69-K151 HydrophobicContact CB-CD 4.28Å; D69-K151 PolarHBondContact O-N 3.32Å; D69-K151 IonicContact OD1-NZ 2.62Å; D69-K151 PolarHBondContact OD1-NZ 2.99Å; L72-K151 HydrophobicContact CD1-CG 3.56Å; L72-K151 HydrophobicContact CG-CG 4.2Å; K151-R153 PolarHBondContact O-N 2.76Å; K151-N323 VanDerWaalsContact NZ-CA 3.29Å; K151-N323 PolarHBondContact NZ-O 3.44Å |
| 152 | T | 92 | Very high | 94.7 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -75.6 | 102.4 | 173.8 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | V63 S150 N154 E155 | V63-T152 HydrophobicContact CB-CG2 4.11Å; V63-T152 HydrophobicContact CG1-CG2 4.28Å; V63-T152 HydrophobicContact CG2-CG2 3.83Å; S150-T152 WeakPolarHBondContact CB-O 3.21Å; S150-T152 PolarHBondContact O-N 2.82Å; S150-T152 WeakPolarHBondContact OG-CB 3.3Å; S150-T152 PolarHBondContact OG-N 3.47Å; T152-N154 VanDerWaalsContact CG2-OD1 3.25Å; T152-N154 WeakPolarHBondContact CG2-OD1 3.45Å; T152-N154 PolarHBondContact O-N 3.46Å; T152-E155 HydrophobicContact CG2-CB 4.11Å; T152-E155 WeakPolarHBondContact O-CB 3.23Å; T152-E155 PolarHBondContact O-N 3.31Å |
| 153 | R | 92 | Very high | 94.9 | Very high | 164 Ų | 164 | 33 Ų | 33 | 62% | 0.619 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.7 | -169.7 | -82 | -168.3 | 162.2 | -167.3 | -0.8 | 116.1 | K151 | K151-R153 PolarHBondContact O-N 2.76Š|
| 154 | N | 95 | Very high | 95.2 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 21% | 0.209 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 14.6 | 179.4 | 69.5 | -38.2 | 0 | 0 | 0 | 114.1 | V56 D58 H60 T152 F156 | V56-N154 HydrophobicContact CB-CB 4.49Å; V56-N154 HydrophobicContact CG2-CB 3.92Å; D58-N154 VanDerWaalsContact O-CB 3.22Å; D58-N154 WeakPolarHBondContact O-CB 3.35Å; D58-N154 PolarHBondContact O-ND2 3.29Å; H60-N154 PolarHBondContact N-O 3.01Å; T152-N154 VanDerWaalsContact CG2-OD1 3.25Å; T152-N154 WeakPolarHBondContact CG2-OD1 3.45Å; T152-N154 PolarHBondContact O-N 3.46Å; N154-F156 WeakPolarHBondContact O-CD2 3.48Å |
| 155 | E | 95.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -108.9 | 124.9 | 176.8 | -172.6 | 170.5 | -124.4 | 0 | 0 | 111.4 | H60 L61 F62 V63 S150 T152 | H60-E155 WeakPolarHBondContact O-CA 3.42Å; L61-E155 WeakPolarHBondContact O-CG 3.17Å; F62-E155 WeakPolarHBondContact CA-OE1 3.25Å; V63-E155 HydrophobicContact CG2-CB 3.93Å; V63-E155 HydrophobicContact CG2-CG 4.38Å; V63-E155 PolarHBondContact N-OE1 3.21Å; S150-E155 PolarHBondContact OG-OE2 3.45Å; T152-E155 HydrophobicContact CG2-CB 4.11Å; T152-E155 WeakPolarHBondContact O-CB 3.23Å; T152-E155 PolarHBondContact O-N 3.31Å |
| 156 | F | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -121.6 | -0.1 | -165.4 | -69.6 | -86.6 | 0 | 0 | 0 | 115.8 | P52 I55 V56 P59 H60 W107 L138 L145 N154 C158 A159 L160 | P52-F156 HydrophobicContact CB-CD1 4.07Å; P52-F156 HydrophobicContact CB-CD2 3.78Å; P52-F156 HydrophobicContact CB-CE1 3.94Å; P52-F156 HydrophobicContact CB-CE2 3.65Å; P52-F156 HydrophobicContact CB-CG 4Å; P52-F156 HydrophobicContact CB-CZ 3.73Å; P52-F156 HydrophobicContact CG-CB 4.44Å; P52-F156 HydrophobicContact CG-CD1 3.81Å; P52-F156 HydrophobicContact CG-CD2 4.18Å; P52-F156 HydrophobicContact CG-CE1 4.05Å; P52-F156 HydrophobicContact CG-CE2 4.41Å; P52-F156 HydrophobicContact CG-CG 3.88Å; P52-F156 HydrophobicContact CG-CZ 4.35Å; I55-F156 HydrophobicContact CD1-CE1 4.16Å; V56-F156 HydrophobicContact CG2-CE2 3.65Å; V56-F156 HydrophobicContact CG2-CZ 3.74Å; P59-F156 HydrophobicContact CB-CD2 4.03Å; P59-F156 HydrophobicContact CB-CE2 3.73Å; H60-F156 PolarHBondContact O-N 3.4Å; W107-F156 HydrophobicContact CH2-CB 4.06Å; W107-F156 HydrophobicContact CZ3-CB 4.36Å; L138-F156 HydrophobicContact CD1-CD1 3.63Å; L138-F156 HydrophobicContact CD1-CE1 4.23Å; L145-F156 HydrophobicContact CD1-CD1 4.08Å; L145-F156 HydrophobicContact CD1-CE1 3.96Å; N154-F156 WeakPolarHBondContact O-CD2 3.48Å; F156-C158 VanDerWaalsContact C-N 3.31Å; F156-C158 PolarHBondContact O-N 2.82Å; F156-A159 PolarHBondContact O-N 3.07Å; F156-L160 HydrophobicContact CB-CD1 4.34Å; F156-L160 WeakPolarHBondContact O-CG 3.23Å; F156-L160 PolarHBondContact O-N 3Å; F156-L160 VanDerWaalsContact O-N 3.08Å | ||
| 157 | W | 94.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.3 | -40.1 | -175.9 | 72.3 | -98.3 | 0 | 0 | 0 | 113.5 | L61 F62 I66 D70 V71 T89 I99 L160 L161 | L61-W157 HydrophobicContact CD1-CB 3.84Å; L61-W157 HydrophobicContact CG-CB 4.06Å; L61-W157 VanDerWaalsContact O-CB 3.26Å; L61-W157 WeakPolarHBondContact O-CB 3.5Å; L61-W157 VanDerWaalsContact O-CD1 3.3Å; L61-W157 PolarHBondContact O-N 3.24Å; F62-W157 HydrophobicContact CD1-CB 4.09Å; F62-W157 AromaticContact CD1-CD1 3.42Å; F62-W157 VanDerWaalsContact CD1-CD1 3.42Å; F62-W157 AromaticContact CD1-CG 3.8Å; F62-W157 HydrophobicContact CD1-CG 3.8Å; F62-W157 HydrophobicContact CE1-CB 3.52Å; F62-W157 AromaticContact CE1-CD1 3.48Å; F62-W157 VanDerWaalsContact CE1-CD1 3.48Å; F62-W157 AromaticContact CE1-CD2 3.95Å; F62-W157 HydrophobicContact CE1-CD2 3.95Å; F62-W157 AromaticContact CE1-CG 3.37Å; F62-W157 HydrophobicContact CE1-CG 3.37Å; F62-W157 HydrophobicContact CZ-CB 3.78Å; F62-W157 HydrophobicContact CZ-CG 4.13Å; I66-W157 HydrophobicContact CG2-CH2 4.26Å; I66-W157 HydrophobicContact CG2-CZ2 3.82Å; D70-W157 HydrophobicContact CB-CZ2 3.67Å; D70-W157 VanDerWaalsContact CB-NE1 3.27Å; D70-W157 PolarHBondContact OD2-NE1 3.16Å; V71-W157 HydrophobicContact CG2-CH2 3.23Å; V71-W157 HydrophobicContact CG2-CZ2 3.4Å; V71-W157 HydrophobicContact CG2-CZ3 4.27Å; T89-W157 HydrophobicContact CG2-CH2 4.37Å; T89-W157 HydrophobicContact CG2-CZ2 4.46Å; I99-W157 HydrophobicContact CD1-CD2 4.43Å; I99-W157 HydrophobicContact CD1-CE3 3.81Å; I99-W157 HydrophobicContact CD1-CZ3 4.37Å; W157-L160 PolarHBondContact O-N 2.95Å; W157-L161 HydrophobicContact CE3-CB 4.48Å; W157-L161 HydrophobicContact CE3-CD2 4.2Å; W157-L161 HydrophobicContact CZ3-CD2 3.76Å; W157-L161 WeakPolarHBondContact O-CB 3.4Å; W157-L161 PolarHBondContact O-N 2.8Å |
| 158 | C | 94 | Very high | 95.1 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.027 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.7 | -42.2 | -177.1 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | D70 V71 H149 S150 F156 L160 L161 E162 | D70-C158 WeakPolarHBondContact O-CB 3.48Å; D70-C158 PolarHBondContact O-SG 3.14Å; V71-C158 HydrophobicContact CG2-CB 4.49Å; H149-C158 WeakPolarHBondContact CA-SG 3.21Å; S150-C158 PolarHBondContact N-SG 3.2Å; S150-C158 VanDerWaalsContact N-SG 3.44Å; F156-C158 VanDerWaalsContact C-N 3.31Å; F156-C158 PolarHBondContact O-N 2.82Å; C158-L160 PolarHBondContact O-N 3.28Å; C158-L161 PolarHBondContact O-N 3.11Å; C158-E162 WeakPolarHBondContact O-CB 3.47Å; C158-E162 PolarHBondContact O-N 3.48Å |
| 159 | A | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L138 L145 A148 F156 K163 | L138-A159 HydrophobicContact CD1-CB 3.94Å; L138-A159 HydrophobicContact CD2-CB 4.05Å; L145-A159 HydrophobicContact CD1-CB 4.05Å; A148-A159 WeakPolarHBondContact O-CA 3.26Å; A148-A159 VanDerWaalsContact O-CB 3.24Å; A148-A159 WeakPolarHBondContact O-CB 3.42Å; F156-A159 PolarHBondContact O-N 3.07Å; A159-K163 WeakPolarHBondContact O-CB 3.49Å; A159-K163 PolarHBondContact O-N 3.24Å |
| 160 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.2 | -37.7 | 177.3 | -70 | 170.9 | 0 | 0 | 0 | 112.3 | L61 W107 F119 F121 D136 L138 F156 W157 C158 K163 A164 | L61-L160 HydrophobicContact CD1-CD1 3.66Å; W107-L160 HydrophobicContact CH2-CD1 3.87Å; W107-L160 HydrophobicContact CZ3-CD1 4.4Å; F119-L160 HydrophobicContact CD1-CD1 3.76Å; F119-L160 HydrophobicContact CD2-CD1 4.04Å; F119-L160 HydrophobicContact CD2-CD2 4.28Å; F119-L160 HydrophobicContact CE1-CD1 3.94Å; F119-L160 HydrophobicContact CE2-CD1 4.25Å; F119-L160 HydrophobicContact CG-CD1 3.82Å; F119-L160 HydrophobicContact CZ-CD1 4.2Å; F121-L160 HydrophobicContact CE2-CB 3.67Å; F121-L160 WeakPolarHBondContact CE2-O 3.17Å; F121-L160 HydrophobicContact CZ-CB 3.45Å; F121-L160 VanDerWaalsContact CZ-CB 3.45Å; D136-L160 HydrophobicContact CB-CD2 3.9Å; L138-L160 HydrophobicContact CD2-CD2 4.09Å; L138-L160 HydrophobicContact CG-CD2 4.46Å; F156-L160 HydrophobicContact CB-CD1 4.34Å; F156-L160 WeakPolarHBondContact O-CG 3.23Å; F156-L160 PolarHBondContact O-N 3Å; F156-L160 VanDerWaalsContact O-N 3.08Å; W157-L160 PolarHBondContact O-N 2.95Å; C158-L160 PolarHBondContact O-N 3.28Å; L160-K163 WeakPolarHBondContact O-CB 3.48Å; L160-K163 PolarHBondContact O-N 2.89Å; L160-A164 PolarHBondContact O-N 3.34Å |
| 161 | L | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 174.8 | 179.7 | 68.3 | 0 | 0 | 0 | 111 | F81 C85 V98 F121 F123 W157 C158 K163 A164 F165 | F81-L161 HydrophobicContact CZ-CG 4.25Å; C85-L161 VanDerWaalsContact SG-CD2 3.6Å; V98-L161 HydrophobicContact CG1-CD1 3.6Å; V98-L161 HydrophobicContact CG1-CD2 4.47Å; F121-L161 HydrophobicContact CB-CD1 3.93Å; F121-L161 HydrophobicContact CD1-CB 4.03Å; F121-L161 HydrophobicContact CD1-CD1 3.43Å; F121-L161 VanDerWaalsContact CD1-CD1 3.43Å; F121-L161 HydrophobicContact CD1-CG 4.34Å; F121-L161 HydrophobicContact CE1-CB 3.94Å; F121-L161 HydrophobicContact CE1-CD1 4.18Å; F121-L161 HydrophobicContact CG-CD1 3.86Å; F123-L161 HydrophobicContact CE1-CD1 3.79Å; F123-L161 HydrophobicContact CE1-CG 4.48Å; F123-L161 HydrophobicContact CE2-CD1 4.45Å; F123-L161 HydrophobicContact CZ-CD1 3.46Å; F123-L161 VanDerWaalsContact CZ-CD1 3.46Å; F123-L161 HydrophobicContact CZ-CG 4.23Å; W157-L161 HydrophobicContact CE3-CB 4.48Å; W157-L161 HydrophobicContact CE3-CD2 4.2Å; W157-L161 HydrophobicContact CZ3-CD2 3.76Å; W157-L161 WeakPolarHBondContact O-CB 3.4Å; W157-L161 PolarHBondContact O-N 2.8Å; C158-L161 PolarHBondContact O-N 3.11Å; L161-K163 VanDerWaalsContact C-N 3.31Å; L161-K163 PolarHBondContact O-N 3.07Å; L161-A164 PolarHBondContact O-N 2.9Å; L161-F165 PolarHBondContact O-N 2.83Å |
| 162 | E | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 175.2 | -174 | -169 | -129.6 | 0 | 0 | 111.2 | N78 F81 Y147 A148 C158 A164 F165 A166 Y172 L175 | N78-E162 PolarHBondContact ND2-OE1 2.95Å; F81-E162 HydrophobicContact CD1-CG 4.43Å; F81-E162 HydrophobicContact CE1-CB 4.04Å; F81-E162 HydrophobicContact CE1-CG 4.19Å; Y147-E162 WeakPolarHBondContact CB-OE2 3.27Å; A148-E162 HydrophobicContact CB-CB 3.85Å; A148-E162 HydrophobicContact CB-CG 4.13Å; A148-E162 WeakPolarHBondContact CB-OE1 3.41Å; A148-E162 WeakPolarHBondContact CB-OE2 3.35Å; A148-E162 PolarHBondContact N-OE1 3.16Å; A148-E162 PolarHBondContact N-OE2 3.44Å; C158-E162 WeakPolarHBondContact O-CB 3.47Å; C158-E162 PolarHBondContact O-N 3.48Å; E162-A164 PolarHBondContact O-N 2.99Å; E162-F165 CarbonylContact O-C 3.6Å; E162-F165 PolarHBondContact O-N 3.16Å; E162-A166 WeakPolarHBondContact O-CB 3.32Å; E162-A166 PolarHBondContact O-N 3.17Å; E162-Y172 HydrophobicContact CG-CE1 4.16Å; E162-L175 HydrophobicContact CG-CD1 3.85Å |
| 163 | K | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 173.6 | -173.1 | 177.3 | 173.6 | 179.5 | 0 | 112.4 | F30 V134 D135 L137 L138 A159 L160 L161 F165 A166 K167 Y172 | F30-K163 HydrophobicContact CD1-CG 4.24Å; F30-K163 HydrophobicContact CE1-CG 3.97Å; V134-K163 HydrophobicContact CB-CD 4.32Å; V134-K163 HydrophobicContact CG1-CG 4.29Å; D135-K163 PolarHBondContact O-NZ 3.27Å; D135-K163 IonicContact OD1-NZ 2.7Å; D135-K163 PolarHBondContact OD1-NZ 3.01Å; L137-K163 PolarHBondContact O-NZ 2.83Å; L138-K163 HydrophobicContact CD2-CD 4.18Å; A159-K163 WeakPolarHBondContact O-CB 3.49Å; A159-K163 PolarHBondContact O-N 3.24Å; L160-K163 WeakPolarHBondContact O-CB 3.48Å; L160-K163 PolarHBondContact O-N 2.89Å; L161-K163 VanDerWaalsContact C-N 3.31Å; L161-K163 PolarHBondContact O-N 3.07Å; K163-F165 VanDerWaalsContact C-N 3.27Å; K163-F165 PolarHBondContact O-N 3.25Å; K163-A166 WeakPolarHBondContact O-CB 3.47Å; K163-A166 PolarHBondContact O-N 3.02Å; K163-K167 WeakPolarHBondContact O-CB 3.12Å; K163-K167 PolarHBondContact O-N 3.36Å; K163-Y172 WeakPolarHBondContact CA-OH 3.31Å; K163-Y172 VanDerWaalsContact CB-OH 3.22Å; K163-Y172 WeakPolarHBondContact CB-OH 3.43Å; K163-Y172 HydrophobicContact CG-CE2 4.38Å; K163-Y172 WeakPolarHBondContact CG-OH 3.35Å |
| 164 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.1 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F121 F123 V132 V134 L160 L161 E162 K167 L168 | F121-A164 HydrophobicContact CB-CB 3.88Å; F121-A164 HydrophobicContact CD2-CB 3.5Å; F121-A164 HydrophobicContact CE2-CB 4.4Å; F121-A164 HydrophobicContact CG-CB 3.97Å; F123-A164 HydrophobicContact CE2-CB 3.82Å; F123-A164 HydrophobicContact CZ-CB 4.3Å; V132-A164 HydrophobicContact CB-CB 4.27Å; V132-A164 HydrophobicContact CG1-CB 4.03Å; V134-A164 HydrophobicContact CG1-CB 3.87Å; V134-A164 HydrophobicContact CG2-CB 4.43Å; L160-A164 PolarHBondContact O-N 3.34Å; L161-A164 PolarHBondContact O-N 2.9Å; E162-A164 PolarHBondContact O-N 2.99Å; A164-K167 PolarHBondContact O-N 3.11Å; A164-L168 WeakPolarHBondContact O-CB 3.41Å; A164-L168 PolarHBondContact O-N 3.47Å |
| 165 | F | 96 | Very high | 95.4 | Very high | 6 Ų | 6 | 6 Ų | 6 | 3% | 0.026 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -69.9 | -38.7 | 174.4 | -163 | -120.5 | 0 | 0 | 0 | 112.7 | W80 F81 F123 L161 E162 K163 K167 L168 N169 L175 A186 | W80-F165 AromaticContact CH2-CE1 3.51Å; W80-F165 HydrophobicContact CH2-CE1 3.51Å; W80-F165 AromaticContact CH2-CZ 3.99Å; W80-F165 HydrophobicContact CH2-CZ 3.99Å; W80-F165 HydrophobicContact CZ2-CE1 4.33Å; W80-F165 AromaticContact CZ3-CE1 3.93Å; W80-F165 HydrophobicContact CZ3-CE1 3.93Å; W80-F165 HydrophobicContact CZ3-CZ 4.16Å; F81-F165 HydrophobicContact CB-CE1 4.36Å; F81-F165 HydrophobicContact CD1-CD1 4.16Å; F81-F165 AromaticContact CD2-CD1 3.32Å; F81-F165 HydrophobicContact CD2-CD1 3.32Å; F81-F165 HydrophobicContact CD2-CD2 4.49Å; F81-F165 AromaticContact CD2-CE1 3.34Å; F81-F165 HydrophobicContact CD2-CE1 3.34Å; F81-F165 AromaticContact CD2-CG 3.94Å; F81-F165 HydrophobicContact CD2-CG 3.94Å; F81-F165 AromaticContact CD2-CZ 3.99Å; F81-F165 HydrophobicContact CD2-CZ 3.99Å; F81-F165 HydrophobicContact CE1-CB 4.22Å; F81-F165 HydrophobicContact CE1-CD1 4.18Å; F81-F165 HydrophobicContact CE1-CG 4.45Å; F81-F165 HydrophobicContact CE2-CB 3.88Å; F81-F165 AromaticContact CE2-CD1 3.33Å; F81-F165 HydrophobicContact CE2-CD1 3.33Å; F81-F165 AromaticContact CE2-CD2 3.92Å; F81-F165 HydrophobicContact CE2-CD2 3.92Å; F81-F165 AromaticContact CE2-CE1 3.73Å; F81-F165 HydrophobicContact CE2-CE1 3.73Å; F81-F165 HydrophobicContact CE2-CE2 4.29Å; F81-F165 AromaticContact CE2-CG 3.43Å; F81-F165 HydrophobicContact CE2-CG 3.43Å; F81-F165 VanDerWaalsContact CE2-CG 3.43Å; F81-F165 HydrophobicContact CE2-CZ 4.2Å; F81-F165 AromaticContact CG-CD1 3.75Å; F81-F165 HydrophobicContact CG-CD1 3.75Å; F81-F165 AromaticContact CG-CE1 3.91Å; F81-F165 HydrophobicContact CG-CE1 3.91Å; F81-F165 HydrophobicContact CZ-CB 3.61Å; F81-F165 AromaticContact CZ-CD1 3.78Å; F81-F165 HydrophobicContact CZ-CD1 3.78Å; F81-F165 HydrophobicContact CZ-CD2 4.49Å; F81-F165 AromaticContact CZ-CG 3.73Å; F81-F165 HydrophobicContact CZ-CG 3.73Å; F123-F165 AromaticContact CD1-CD2 3.71Å; F123-F165 HydrophobicContact CD1-CD2 3.71Å; F123-F165 HydrophobicContact CD1-CE2 4.24Å; F123-F165 HydrophobicContact CD2-CD2 4.46Å; F123-F165 HydrophobicContact CE1-CB 4.03Å; F123-F165 AromaticContact CE1-CD2 3.65Å; F123-F165 HydrophobicContact CE1-CD2 3.65Å; F123-F165 HydrophobicContact CE1-CG 4.15Å; F123-F165 HydrophobicContact CE2-CB 4.29Å; F123-F165 HydrophobicContact CE2-CD2 4.41Å; F123-F165 HydrophobicContact CG-CD2 4.12Å; F123-F165 HydrophobicContact CZ-CB 3.7Å; F123-F165 HydrophobicContact CZ-CD2 4.01Å; F123-F165 HydrophobicContact CZ-CG 4.28Å; L161-F165 PolarHBondContact O-N 2.83Å; E162-F165 CarbonylContact O-C 3.6Å; E162-F165 PolarHBondContact O-N 3.16Å; K163-F165 VanDerWaalsContact C-N 3.27Å; K163-F165 PolarHBondContact O-N 3.25Å; F165-K167 VanDerWaalsContact C-N 3.33Å; F165-K167 PolarHBondContact O-N 2.79Å; F165-L168 HydrophobicContact CD2-CD2 4.17Å; F165-L168 HydrophobicContact CE2-CD2 4.32Å; F165-L168 WeakPolarHBondContact O-CB 3.26Å; F165-L168 PolarHBondContact O-N 2.7Å; F165-N169 PolarHBondContact O-N 3.31Å; F165-N169 PolarHBondContact O-ND2 3.45Å; F165-L175 HydrophobicContact CD1-CD1 4.14Å; F165-L175 HydrophobicContact CD1-CD2 3.43Å; F165-L175 VanDerWaalsContact CD1-CD2 3.43Å; F165-L175 HydrophobicContact CD1-CG 4.41Å; F165-L175 HydrophobicContact CE1-CD2 3.78Å; F165-L175 HydrophobicContact CG-CD2 4.3Å; F165-A186 HydrophobicContact CE2-CB 3.73Å; F165-A186 HydrophobicContact CZ-CB 4.19Å |
| 166 | A | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F30 E162 K163 N169 G170 C171 Y172 L175 | F30-A166 HydrophobicContact CZ-CB 3.88Å; E162-A166 WeakPolarHBondContact O-CB 3.32Å; E162-A166 PolarHBondContact O-N 3.17Å; K163-A166 WeakPolarHBondContact O-CB 3.47Å; K163-A166 PolarHBondContact O-N 3.02Å; A166-N169 CarbonylContact O-C 3.58Å; A166-N169 PolarHBondContact O-N 2.73Å; A166-G170 CarbonylContact O-C 3.59Å; A166-G170 PolarHBondContact O-N 3.17Å; A166-C171 PolarHBondContact O-N 3.35Å; A166-C171 VanDerWaalsContact O-N 3.12Å; A166-Y172 HydrophobicContact CB-CD1 3.99Å; A166-Y172 HydrophobicContact CB-CD2 4.05Å; A166-Y172 HydrophobicContact CB-CE1 4.24Å; A166-Y172 HydrophobicContact CB-CE2 4.3Å; A166-Y172 HydrophobicContact CB-CG 3.91Å; A166-L175 HydrophobicContact CB-CD1 3.87Å; A166-L175 HydrophobicContact CB-CG 4.23Å |
| 167 | K | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 174.3 | 174.3 | 174.4 | -176.9 | 176.7 | 0 | 112.9 | F6 D27 F30 V132 V133 V134 K163 A164 F165 N169 G170 | F6-K167 HydrophobicContact CD1-CD 4.48Å; F6-K167 HydrophobicContact CD1-CG 4.3Å; F6-K167 HydrophobicContact CE1-CD 4.46Å; F6-K167 HydrophobicContact CE1-CG 3.86Å; D27-K167 IonicContact OD1-NZ 3.7Å; D27-K167 PolarHBondContact OD1-NZ 3.32Å; D27-K167 WeakPolarHBondContact OD2-CD 3.48Å; D27-K167 WeakPolarHBondContact OD2-CE 3.38Å; D27-K167 IonicContact OD2-NZ 3.03Å; D27-K167 PolarHBondContact OD2-NZ 2.76Å; F30-K167 HydrophobicContact CB-CB 4.11Å; F30-K167 HydrophobicContact CB-CD 3.64Å; F30-K167 HydrophobicContact CB-CG 3.8Å; F30-K167 HydrophobicContact CD1-CB 4.15Å; F30-K167 VanDerWaalsContact CD2-CA 3.49Å; F30-K167 HydrophobicContact CD2-CB 3.62Å; F30-K167 HydrophobicContact CD2-CG 3.88Å; F30-K167 HydrophobicContact CE1-CB 4.45Å; F30-K167 VanDerWaalsContact CE2-CA 3.42Å; F30-K167 HydrophobicContact CE2-CB 3.97Å; F30-K167 HydrophobicContact CG-CB 3.7Å; F30-K167 HydrophobicContact CG-CD 4.18Å; F30-K167 HydrophobicContact CG-CG 3.92Å; F30-K167 HydrophobicContact CZ-CB 4.36Å; V132-K167 HydrophobicContact CG1-CB 4.32Å; V132-K167 HydrophobicContact CG1-CD 3.8Å; V132-K167 HydrophobicContact CG1-CG 4.11Å; V133-K167 PolarHBondContact O-NZ 3.16Å; V134-K167 HydrophobicContact CG1-CB 4.49Å; V134-K167 HydrophobicContact CG1-CD 3.92Å; K163-K167 WeakPolarHBondContact O-CB 3.12Å; K163-K167 PolarHBondContact O-N 3.36Å; A164-K167 PolarHBondContact O-N 3.11Å; F165-K167 VanDerWaalsContact C-N 3.33Å; F165-K167 PolarHBondContact O-N 2.79Å; K167-N169 PolarHBondContact O-N 2.82Å; K167-G170 PolarHBondContact O-N 2.84Å |
| 168 | L | 94.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 11.7 Ų | 11.7 | 7% | 0.073 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.5 | -33.2 | 176.9 | -175.7 | 64.1 | 0 | 0 | 0 | 111.9 | F6 F123 R125 V130 V132 A164 F165 | F6-L168 HydrophobicContact CD2-CD1 3.89Å; F6-L168 HydrophobicContact CE2-CD1 3.8Å; F6-L168 HydrophobicContact CZ-CD1 4.33Å; F123-L168 HydrophobicContact CB-CD2 3.69Å; F123-L168 HydrophobicContact CD2-CD2 3.94Å; F123-L168 HydrophobicContact CG-CD2 3.94Å; R125-L168 HydrophobicContact CG-CD1 4.35Å; R125-L168 HydrophobicContact CG-CD2 3.94Å; V130-L168 HydrophobicContact CG1-CD1 4.18Å; V132-L168 HydrophobicContact CG2-CB 4.36Å; V132-L168 HydrophobicContact CG2-CD1 4.11Å; A164-L168 WeakPolarHBondContact O-CB 3.41Å; A164-L168 PolarHBondContact O-N 3.47Å; F165-L168 HydrophobicContact CD2-CD2 4.17Å; F165-L168 HydrophobicContact CE2-CD2 4.32Å; F165-L168 WeakPolarHBondContact O-CB 3.26Å; F165-L168 PolarHBondContact O-N 2.7Å |
| 169 | N | 92.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 9% | 0.086 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -98.7 | 0.9 | -179.9 | -67.1 | -75.3 | 0 | 0 | 0 | 114 | F165 A166 K167 S174 L175 G416 | F165-N169 PolarHBondContact O-N 3.31Å; F165-N169 PolarHBondContact O-ND2 3.45Å; A166-N169 CarbonylContact O-C 3.58Å; A166-N169 PolarHBondContact O-N 2.73Å; K167-N169 PolarHBondContact O-N 2.82Å; N169-S174 VanDerWaalsContact O-CB 3.3Å; N169-S174 WeakPolarHBondContact O-CB 3.22Å; N169-S174 PolarHBondContact O-OG 3.21Å; N169-L175 HydrophobicContact CB-CD2 4Å; N169-G416 CarbonylContact O-C 3.59Å |
| 170 | G | 92.8 | Very high | 93 | Very high | 21 Ų | 21 | 15 Ų | 15 | 22% | 0.216 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 104.8 | -41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F30 A166 K167 | F30-G170 WeakPolarHBondContact CE2-O 3.48Å; A166-G170 CarbonylContact O-C 3.59Å; A166-G170 PolarHBondContact O-N 3.17Å; K167-G170 PolarHBondContact O-N 2.84Å |
| 171 | C | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -161.6 | 169.6 | 174 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | S36 A166 E173 S174 | S36-C171 CarbonylContact O-C 3.56Å; S36-C171 WeakPolarHBondContact O-CA 3.2Å; S36-C171 VanDerWaalsContact O-CB 3.22Å; S36-C171 WeakPolarHBondContact O-CB 3.4Å; A166-C171 PolarHBondContact O-N 3.35Å; A166-C171 VanDerWaalsContact O-N 3.12Å; C171-E173 PolarHBondContact O-N 2.99Å; C171-S174 WeakPolarHBondContact O-CB 3.49Å; C171-S174 PolarHBondContact O-N 3.38Å; C171-S174 VanDerWaalsContact O-N 3.1Å; C171-S174 PolarHBondContact SG-N 3.22Å; C171-S174 PolarHBondContact SG-OG 3.35Å |
| 172 | Y | 96.1 | Very high | 92 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -59.6 | -43.9 | 175.9 | -82.1 | -88.6 | 0 | 0 | 0 | 112.6 | F30 S36 L37 W49 L76 P139 Y147 E162 K163 A166 S174 L175 | F30-Y172 HydrophobicContact CE1-CD2 4.33Å; F30-Y172 AromaticContact CE1-CE2 4Å; F30-Y172 HydrophobicContact CE1-CE2 4Å; F30-Y172 HydrophobicContact CZ-CD2 4.16Å; F30-Y172 HydrophobicContact CZ-CE2 4.27Å; S36-Y172 WeakPolarHBondContact O-CD2 3.28Å; S36-Y172 PolarHBondContact O-N 3.44Å; L37-Y172 HydrophobicContact CD2-CD2 3.88Å; L37-Y172 HydrophobicContact CD2-CE2 4.37Å; W49-Y172 HydrophobicContact CH2-CE2 4.09Å; L76-Y172 HydrophobicContact CD2-CD1 4.16Å; L76-Y172 WeakPolarHBondContact CD2-O 3.38Å; P139-Y172 HydrophobicContact CG-CD2 4.3Å; P139-Y172 HydrophobicContact CG-CE2 3.63Å; Y147-Y172 AromaticContact CD2-CD1 3.26Å; Y147-Y172 HydrophobicContact CD2-CD1 3.26Å; Y147-Y172 HydrophobicContact CD2-CD2 4.32Å; Y147-Y172 AromaticContact CD2-CE1 3.27Å; Y147-Y172 HydrophobicContact CD2-CE1 3.27Å; Y147-Y172 HydrophobicContact CD2-CE2 4.32Å; Y147-Y172 AromaticContact CD2-CG 3.81Å; Y147-Y172 HydrophobicContact CD2-CG 3.81Å; Y147-Y172 AromaticContact CD2-CZ 3.82Å; Y147-Y172 AromaticContact CE2-CD1 3.41Å; Y147-Y172 HydrophobicContact CE2-CD1 3.41Å; Y147-Y172 VanDerWaalsContact CE2-CD1 3.41Å; Y147-Y172 AromaticContact CE2-CD2 3.87Å; Y147-Y172 HydrophobicContact CE2-CD2 3.87Å; Y147-Y172 AromaticContact CE2-CE1 3.81Å; Y147-Y172 HydrophobicContact CE2-CE1 3.81Å; Y147-Y172 HydrophobicContact CE2-CE2 4.22Å; Y147-Y172 AromaticContact CE2-CG 3.42Å; Y147-Y172 HydrophobicContact CE2-CG 3.42Å; Y147-Y172 VanDerWaalsContact CE2-CG 3.42Å; Y147-Y172 AromaticContact CG-CD1 3.89Å; Y147-Y172 HydrophobicContact CG-CD1 3.89Å; Y147-Y172 AromaticContact CG-CE1 4Å; Y147-Y172 HydrophobicContact CG-CE1 4Å; E162-Y172 HydrophobicContact CG-CE1 4.16Å; K163-Y172 WeakPolarHBondContact CA-OH 3.31Å; K163-Y172 VanDerWaalsContact CB-OH 3.22Å; K163-Y172 WeakPolarHBondContact CB-OH 3.43Å; K163-Y172 HydrophobicContact CG-CE2 4.38Å; K163-Y172 WeakPolarHBondContact CG-OH 3.35Å; A166-Y172 HydrophobicContact CB-CD1 3.99Å; A166-Y172 HydrophobicContact CB-CD2 4.05Å; A166-Y172 HydrophobicContact CB-CE1 4.24Å; A166-Y172 HydrophobicContact CB-CE2 4.3Å; A166-Y172 HydrophobicContact CB-CG 3.91Å; Y172-S174 PolarHBondContact O-N 2.97Å; Y172-S174 VanDerWaalsContact O-N 3.07Å; Y172-L175 WeakPolarHBondContact O-CB 3.33Å; Y172-L175 PolarHBondContact O-N 3.13Å |
| 173 | E | 94.3 | Very high | 91.8 | Very high | 50 Ų | 50 | 16.5 Ų | 16.5 | 23% | 0.234 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -58.6 | -24.5 | 176.3 | -169.4 | 175.1 | -174.9 | 0 | 0 | 112.6 | L37 Y38 F39 R43 C171 L175 S176 | L37-E173 VanDerWaalsContact O-CB 3.31Å; L37-E173 WeakPolarHBondContact O-CB 3.49Å; L37-E173 PolarHBondContact O-N 2.84Å; Y38-E173 WeakPolarHBondContact CA-OE2 3.33Å; Y38-E173 WeakPolarHBondContact CB-OE2 3.39Å; F39-E173 HydrophobicContact CD2-CG 3.76Å; F39-E173 WeakPolarHBondContact CD2-OE1 3.41Å; F39-E173 HydrophobicContact CE2-CB 4.41Å; F39-E173 HydrophobicContact CE2-CG 3.61Å; F39-E173 HydrophobicContact CG-CG 4.31Å; F39-E173 HydrophobicContact CZ-CB 4.42Å; F39-E173 HydrophobicContact CZ-CG 4.05Å; F39-E173 PolarHBondContact N-OE2 3.19Å; R43-E173 IonicContact NH1-OE1 3.96Å; R43-E173 IonicContact NH1-OE2 3.73Å; C171-E173 PolarHBondContact O-N 2.99Å; E173-L175 PolarHBondContact O-N 2.99Å; E173-S176 PolarHBondContact O-N 3.18Å |
| 174 | S | 92 | Very high | 91.4 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -68.6 | -11.6 | 173.3 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | F39 N169 C171 Y172 R419 | F39-S174 WeakPolarHBondContact CE1-OG 3.49Å; N169-S174 VanDerWaalsContact O-CB 3.3Å; N169-S174 WeakPolarHBondContact O-CB 3.22Å; N169-S174 PolarHBondContact O-OG 3.21Å; C171-S174 WeakPolarHBondContact O-CB 3.49Å; C171-S174 PolarHBondContact O-N 3.38Å; C171-S174 VanDerWaalsContact O-N 3.1Å; C171-S174 PolarHBondContact SG-N 3.22Å; C171-S174 PolarHBondContact SG-OG 3.35Å; Y172-S174 PolarHBondContact O-N 2.97Å; Y172-S174 VanDerWaalsContact O-N 3.07Å; S174-R419 WeakPolarHBondContact O-CD 3.32Å; S174-R419 PolarHBondContact O-NH1 2.88Å |
| 175 | L | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -89.4 | -9.9 | 174.8 | -52 | -173.6 | 0 | 0 | 0 | 112.9 | L76 N78 W80 E162 F165 A166 N169 Y172 E173 R419 | L76-L175 HydrophobicContact CD2-CB 3.92Å; L76-L175 HydrophobicContact CD2-CD1 4.32Å; N78-L175 HydrophobicContact CB-CB 3.97Å; N78-L175 VanDerWaalsContact CB-O 3.26Å; N78-L175 WeakPolarHBondContact CB-O 3.45Å; W80-L175 VanDerWaalsContact CE2-O 3.27Å; W80-L175 HydrophobicContact CZ2-CB 4.46Å; W80-L175 VanDerWaalsContact CZ2-O 3.22Å; W80-L175 WeakPolarHBondContact CZ2-O 3.45Å; W80-L175 PolarHBondContact NE1-O 3.43Å; E162-L175 HydrophobicContact CG-CD1 3.85Å; F165-L175 HydrophobicContact CD1-CD1 4.14Å; F165-L175 HydrophobicContact CD1-CD2 3.43Å; F165-L175 VanDerWaalsContact CD1-CD2 3.43Å; F165-L175 HydrophobicContact CD1-CG 4.41Å; F165-L175 HydrophobicContact CE1-CD2 3.78Å; F165-L175 HydrophobicContact CG-CD2 4.3Å; A166-L175 HydrophobicContact CB-CD1 3.87Å; A166-L175 HydrophobicContact CB-CG 4.23Å; N169-L175 HydrophobicContact CB-CD2 4Å; Y172-L175 WeakPolarHBondContact O-CB 3.33Å; Y172-L175 PolarHBondContact O-N 3.13Å; E173-L175 PolarHBondContact O-N 2.99Å; L175-R419 VanDerWaalsContact C-NH1 3.31Å; L175-R419 PolarHBondContact O-NH1 2.92Å |
| 176 | S | 89.6 | Confident | 91.1 | Very high | 45 Ų | 45 | 16.8 Ų | 16.8 | 32% | 0.315 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 137.2 | 174 | -68.6 | 0 | 0 | 0 | 0 | 111.3 | L76 G77 E173 R419 | L76-S176 VanDerWaalsContact CD1-OG 3.23Å; L76-S176 WeakPolarHBondContact CD1-OG 3.48Å; G77-S176 WeakPolarHBondContact O-CA 3.3Å; E173-S176 PolarHBondContact O-N 3.18Å; S176-R419 WeakPolarHBondContact O-CD 3.17Å; S176-R419 PolarHBondContact O-NH1 3.21Å |
| 177 | G | 81.5 | Confident | 90.9 | Very high | 63 Ų | 63 | 16.8 Ų | 16.8 | 65% | 0.649 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68 | 42.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G77 | G77-G177 PolarHBondContact O-N 3.36Å; G77-G177 VanDerWaalsContact O-N 3.11Å |
| 178 | G | 83.6 | Confident | 90.6 | Very high | 17 Ų | 17 | 17.1 Ų | 17.1 | 18% | 0.175 | 12% | 0.122 | C | C | . | . | trans | -93.3 | -179.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R419 | G178-R419 VanDerWaalsContact CA-CZ 3.45Š| ||
| 179 | T | 85.2 | Confident | 90.5 | Very high | 70 Ų | 70 | 17 Ų | 17 | 43% | 0.429 | 13% | 0.125 | S | C | . | . | trans | -108.5 | 146.8 | 175.8 | 78.2 | 0 | 0 | 0 | 0 | 110.9 | A181 E182 A183 | T179-A181 PolarHBondContact O-N 2.92Å; T179-E182 PolarHBondContact N-OE2 3.16Å; T179-E182 WeakPolarHBondContact O-CB 3.46Å; T179-E182 PolarHBondContact O-N 3.46Å; T179-E182 VanDerWaalsContact OG1-CG 3.32Å; T179-E182 WeakPolarHBondContact OG1-CG 3.34Å; T179-E182 PolarHBondContact OG1-N 2.82Å; T179-A183 PolarHBondContact O-N 3.12Å | ||
| 180 | L | 86.5 | Confident | 90.5 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -38.5 | 177.5 | 179.6 | 57.1 | 0 | 0 | 0 | 112.2 | W80 A83 A84 E182 A183 L184 A227 D341 | W80-L180 WeakPolarHBondContact O-CD1 3.32Å; A83-L180 HydrophobicContact CB-CD1 4.42Å; A84-L180 HydrophobicContact CB-CD1 4.4Å; L180-E182 VanDerWaalsContact C-N 3.34Å; L180-E182 PolarHBondContact O-N 3.15Å; L180-A183 PolarHBondContact O-N 3.41Å; L180-L184 HydrophobicContact CD1-CD1 4.4Å; L180-L184 HydrophobicContact CD1-CG 4.25Å; L180-L184 HydrophobicContact CG-CD1 4.14Å; L180-L184 HydrophobicContact CG-CG 4.41Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.37Å; L180-L184 PolarHBondContact O-N 3.1Å; L180-A227 HydrophobicContact CD1-CB 3.55Å; L180-A227 HydrophobicContact CD2-CB 3.1Å; L180-A227 HydrophobicContact CG-CB 3.73Å; L180-D341 HydrophobicContact CD2-CB 3.75Å; L180-D341 HydrophobicContact CG-CB 4.07Å |
| 181 | A | 86.3 | Confident | 90.5 | Very high | 13 Ų | 13 | 15.6 Ų | 15.6 | 11% | 0.107 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T179 A183 L184 V185 P192 | T179-A181 PolarHBondContact O-N 2.92Å; A181-A183 PolarHBondContact O-N 2.73Å; A181-L184 PolarHBondContact O-N 3.48Å; A181-V185 WeakPolarHBondContact O-CB 3.17Å; A181-V185 VanDerWaalsContact O-CG2 3.29Å; A181-V185 WeakPolarHBondContact O-CG2 3.33Å; A181-V185 PolarHBondContact O-N 3.07Å; A181-P192 HydrophobicContact CB-CB 3.79Å |
| 182 | E | 88.8 | Confident | 90.3 | Very high | 21 Ų | 21 | 16 Ų | 16 | 10% | 0.098 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.1 | -69.9 | 176.1 | 159.4 | 0 | 0 | 110.7 | W80 T179 L180 A186 R419 Y425 E459 | W80-E182 HydrophobicContact CZ3-CB 4Å; T179-E182 PolarHBondContact N-OE2 3.16Å; T179-E182 WeakPolarHBondContact O-CB 3.46Å; T179-E182 PolarHBondContact O-N 3.46Å; T179-E182 VanDerWaalsContact OG1-CG 3.32Å; T179-E182 WeakPolarHBondContact OG1-CG 3.34Å; T179-E182 PolarHBondContact OG1-N 2.82Å; L180-E182 VanDerWaalsContact C-N 3.34Å; L180-E182 PolarHBondContact O-N 3.15Å; E182-A186 WeakPolarHBondContact O-CB 3.43Å; E182-A186 PolarHBondContact O-N 3.34Å; E182-R419 IonicContact OE2-NH2 3.27Å; E182-R419 PolarHBondContact OE2-NH2 3.41Å; E182-Y425 VanDerWaalsContact OE1-CE2 3.28Å; E182-Y425 WeakPolarHBondContact OE1-CE2 3.22Å; E182-Y425 PolarHBondContact OE1-OH 3.18Å; E182-E459 HydrophobicContact CG-CB 4.45Å; E182-E459 WeakPolarHBondContact CG-OE2 2.8Å |
| 183 | A | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W80 F81 A84 T179 L180 A181 V185 A186 I187 | W80-A183 HydrophobicContact CE3-CB 3.47Å; W80-A183 VanDerWaalsContact CE3-CB 3.47Å; W80-A183 HydrophobicContact CZ3-CB 3.66Å; F81-A183 HydrophobicContact CB-CB 4.3Å; F81-A183 HydrophobicContact CD2-CB 4.04Å; A84-A183 HydrophobicContact CB-CB 3.46Å; A84-A183 VanDerWaalsContact CB-CB 3.46Å; T179-A183 PolarHBondContact O-N 3.12Å; L180-A183 PolarHBondContact O-N 3.41Å; A181-A183 PolarHBondContact O-N 2.73Å; A183-V185 VanDerWaalsContact C-N 3.29Å; A183-V185 PolarHBondContact O-N 2.8Å; A183-A186 PolarHBondContact O-N 3.28Å; A183-I187 WeakPolarHBondContact O-CB 3.4Å; A183-I187 WeakPolarHBondContact O-CG1 3.46Å; A183-I187 PolarHBondContact O-N 3.01Å |
| 184 | L | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 177.9 | -69.1 | 178.7 | 0 | 0 | 0 | 111.3 | A84 L180 A181 I187 T188 L225 D341 C343 | A84-L184 HydrophobicContact CB-CD2 3.82Å; A84-L184 HydrophobicContact CB-CG 4.29Å; L180-L184 HydrophobicContact CD1-CD1 4.4Å; L180-L184 HydrophobicContact CD1-CG 4.25Å; L180-L184 HydrophobicContact CG-CD1 4.14Å; L180-L184 HydrophobicContact CG-CG 4.41Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.37Å; L180-L184 PolarHBondContact O-N 3.1Å; A181-L184 PolarHBondContact O-N 3.48Å; L184-I187 PolarHBondContact O-N 3.43Å; L184-T188 WeakPolarHBondContact O-CB 3.4Å; L184-T188 VanDerWaalsContact O-CG2 3.25Å; L184-T188 WeakPolarHBondContact O-CG2 3.25Å; L184-T188 PolarHBondContact O-N 3.03Å; L184-T188 PolarHBondContact O-OG1 3.4Å; L184-L225 HydrophobicContact CD2-CB 3.54Å; L184-L225 HydrophobicContact CD2-CD1 3.91Å; L184-L225 HydrophobicContact CD2-CG 4.39Å; L184-D341 HydrophobicContact CD1-CB 4.44Å; L184-C343 HydrophobicContact CB-CB 3.6Å; L184-C343 HydrophobicContact CD1-CB 3.99Å; L184-C343 HydrophobicContact CG-CB 4.33Å |
| 185 | V | 92.6 | Very high | 89.8 | Confident | 9 Ų | 9 | 20.7 Ų | 20.7 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 175 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | W124 A181 A183 I187 T188 G189 P192 | W124-V185 HydrophobicContact CE3-CG1 3.59Å; W124-V185 HydrophobicContact CZ3-CG1 3.54Å; A181-V185 WeakPolarHBondContact O-CB 3.17Å; A181-V185 VanDerWaalsContact O-CG2 3.29Å; A181-V185 WeakPolarHBondContact O-CG2 3.33Å; A181-V185 PolarHBondContact O-N 3.07Å; A183-V185 VanDerWaalsContact C-N 3.29Å; A183-V185 PolarHBondContact O-N 2.8Å; V185-I187 PolarHBondContact O-N 2.79Å; V185-T188 PolarHBondContact O-N 2.78Å; V185-G189 WeakPolarHBondContact O-CA 3.4Å; V185-G189 PolarHBondContact O-N 2.66Å; V185-P192 HydrophobicContact CG2-CB 3.97Å; V185-P192 VanDerWaalsContact CG2-CD 3.5Å; V185-P192 HydrophobicContact CG2-CG 3.66Å |
| 186 | A | 93.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -33.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F123 W124 F165 E182 A183 | F123-A186 CarbonylContact C-O 3.39Å; F123-A186 WeakPolarHBondContact CA-O 2.94Å; W124-A186 PolarHBondContact N-O 3.02Å; F165-A186 HydrophobicContact CE2-CB 3.73Å; F165-A186 HydrophobicContact CZ-CB 4.19Å; E182-A186 WeakPolarHBondContact O-CB 3.43Å; E182-A186 PolarHBondContact O-N 3.34Å; A183-A186 PolarHBondContact O-N 3.28Å |
| 187 | I | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -87.5 | -25.5 | -177 | -71.7 | 172.9 | 0 | 0 | 0 | 112.6 | F81 A84 L88 V98 W129 A183 L184 V185 L225 | F81-I187 HydrophobicContact CE2-CD1 4.19Å; A84-I187 HydrophobicContact CB-CD1 3.81Å; L88-I187 HydrophobicContact CB-CG2 4Å; L88-I187 HydrophobicContact CD1-CG2 3.63Å; L88-I187 HydrophobicContact CD2-CG2 3.73Å; L88-I187 HydrophobicContact CG-CG2 3.98Å; V98-I187 HydrophobicContact CG2-CG2 4.13Å; V98-I187 VanDerWaalsContact CG2-O 3.31Å; V98-I187 WeakPolarHBondContact CG2-O 3.03Å; W129-I187 WeakPolarHBondContact CH2-O 3.42Å; A183-I187 WeakPolarHBondContact O-CB 3.4Å; A183-I187 WeakPolarHBondContact O-CG1 3.46Å; A183-I187 PolarHBondContact O-N 3.01Å; L184-I187 PolarHBondContact O-N 3.43Å; V185-I187 PolarHBondContact O-N 2.79Å; I187-L225 HydrophobicContact CG2-CD1 4.2Å |
| 188 | T | 91.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -115 | -26.3 | -172 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | L94 L184 V185 G190 L225 C343 | L94-T188 HydrophobicContact CD1-CG2 3.63Å; L94-T188 HydrophobicContact CD2-CG2 4.42Å; L184-T188 WeakPolarHBondContact O-CB 3.4Å; L184-T188 VanDerWaalsContact O-CG2 3.25Å; L184-T188 WeakPolarHBondContact O-CG2 3.25Å; L184-T188 PolarHBondContact O-N 3.03Å; L184-T188 PolarHBondContact O-OG1 3.4Å; V185-T188 PolarHBondContact O-N 2.78Å; T188-G190 PolarHBondContact O-N 3.41Å; T188-G190 PolarHBondContact OG1-N 2.91Å; T188-L225 HydrophobicContact CG2-CD1 3.3Å; T188-L225 HydrophobicContact CG2-CG 3.78Å; T188-C343 PolarHBondContact OG1-SG 3.1Å |
| 189 | G | 91.3 | Very high | 90.2 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 12% | 0.124 | 16% | 0.164 | C | C | . | . | trans | 64.9 | 12.4 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W124 V185 R491 | W124-G189 VanDerWaalsContact CD2-CA 3.49Å; V185-G189 WeakPolarHBondContact O-CA 3.4Å; V185-G189 PolarHBondContact O-N 2.66Å; G189-R491 PolarHBondContact O-NH1 2.97Å | ||
| 190 | G | 91.9 | Very high | 90.2 | Very high | 5 Ų | 5 | 34 Ų | 34 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | trans | -74.2 | -166.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T188 Y344 R491 | T188-G190 PolarHBondContact O-N 3.41Å; T188-G190 PolarHBondContact OG1-N 2.91Å; G190-Y344 CarbonylContact C-O 3.59Å; G190-Y344 WeakPolarHBondContact CA-O 3.22Å; G190-R491 PolarHBondContact O-NH1 3.3Å; G190-R491 PolarHBondContact O-NH2 3.34Å | ||
| 191 | V | 92.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | C343 Y344 Y346 I407 L462 Y493 | V191-C343 WeakPolarHBondContact O-CA 3.42Å; V191-Y344 PolarHBondContact N-O 3.43Å; V191-Y344 PolarHBondContact O-N 3.3Å; V191-Y346 HydrophobicContact CB-CD2 4.5Å; V191-Y346 HydrophobicContact CB-CE2 3.83Å; V191-Y346 HydrophobicContact CG1-CE2 4.47Å; V191-Y346 HydrophobicContact CG2-CD2 4.06Å; V191-Y346 HydrophobicContact CG2-CE2 3.78Å; V191-I407 HydrophobicContact CG1-CG2 4.38Å; V191-L462 HydrophobicContact CG1-CD1 3.42Å; V191-L462 VanDerWaalsContact CG1-CD1 3.42Å; V191-Y493 HydrophobicContact CG2-CD2 4.15Å; V191-Y493 HydrophobicContact CG2-CE2 3.37Å |
| 192 | P | 91.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 144.5 | 179.1 | 32.8 | -31.4 | 0 | 0 | 0 | 110.5 | A181 V185 L342 S460 | A181-P192 HydrophobicContact CB-CB 3.79Å; V185-P192 HydrophobicContact CG2-CB 3.97Å; V185-P192 VanDerWaalsContact CG2-CD 3.5Å; V185-P192 HydrophobicContact CG2-CG 3.66Å; P192-L342 CarbonylContact C-O 3.53Å; P192-L342 VanDerWaalsContact CA-O 3.31Å; P192-L342 WeakPolarHBondContact CA-O 3.33Å; P192-S460 WeakPolarHBondContact CG-OG 3.39Å |
| 193 | F | 90.1 | Very high | 90.3 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 121.4 | 175.9 | -166.4 | -69.6 | 0 | 0 | 0 | 107.9 | I195 L342 Y344 L462 Y464 | F193-I195 HydrophobicContact CD1-CD1 4.23Å; F193-I195 HydrophobicContact CD1-CG1 3.64Å; F193-I195 HydrophobicContact CE1-CD1 4.17Å; F193-I195 HydrophobicContact CE1-CG1 3.55Å; F193-L342 HydrophobicContact CB-CB 4.43Å; F193-L342 HydrophobicContact CD1-CD1 4.42Å; F193-L342 PolarHBondContact N-O 3.39Å; F193-L342 PolarHBondContact O-N 3.23Å; F193-Y344 HydrophobicContact CB-CD2 4.26Å; F193-Y344 HydrophobicContact CB-CE2 4.05Å; F193-Y344 HydrophobicContact CG-CE2 4.41Å; F193-L462 HydrophobicContact CB-CD2 4.38Å; F193-L462 HydrophobicContact CD2-CD2 3.25Å; F193-L462 HydrophobicContact CE2-CD2 3.71Å; F193-L462 HydrophobicContact CG-CD2 4.11Å; F193-Y464 HydrophobicContact CE2-CD1 4.03Å; F193-Y464 HydrophobicContact CE2-CG 4.32Å |
| 194 | T | 89.8 | Confident | 90 | Very high | 76 Ų | 76 | 46.5 Ų | 46.5 | 47% | 0.466 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126.6 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | T339 D341 | T194-T339 HydrophobicContact CG2-CG2 3.42Å; T194-T339 VanDerWaalsContact CG2-CG2 3.42Å; T194-D341 VanDerWaalsContact CB-OD1 3.32Å; T194-D341 WeakPolarHBondContact CB-OD1 3.4Å; T194-D341 VanDerWaalsContact CG2-OD1 3.31Å; T194-D341 WeakPolarHBondContact CG2-OD1 3.41Å; T194-D341 PolarHBondContact OG1-OD1 2.88Å |
| 195 | I | 90.9 | Very high | 90.1 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.5 | 176.8 | -57.4 | 178.4 | 0 | 0 | 0 | 108 | F193 L197 L212 T339 V340 L342 | F193-I195 HydrophobicContact CD1-CD1 4.23Å; F193-I195 HydrophobicContact CD1-CG1 3.64Å; F193-I195 HydrophobicContact CE1-CD1 4.17Å; F193-I195 HydrophobicContact CE1-CG1 3.55Å; I195-L197 HydrophobicContact CG2-CD2 4.45Å; I195-L212 HydrophobicContact CD1-CD1 3.57Å; I195-L212 HydrophobicContact CG2-CD1 4.24Å; I195-L212 HydrophobicContact CG2-CD2 4.13Å; I195-T339 CarbonylContact O-C 3.57Å; I195-T339 WeakPolarHBondContact O-CA 3.39Å; I195-V340 HydrophobicContact CB-CB 4.26Å; I195-V340 PolarHBondContact N-O 2.83Å; I195-V340 PolarHBondContact O-N 2.91Å; I195-L342 HydrophobicContact CD1-CD1 3.58Å; I195-L342 HydrophobicContact CG1-CD1 3.89Å |
| 196 | K | 92.2 | Very high | 90 | Very high | 170 Ų | 170 | 52.1 Ų | 52.1 | 74% | 0.739 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 119.9 | 169 | -65.6 | -176 | -179.8 | 179.2 | 0 | 109.2 | N198 | K196-N198 VanDerWaalsContact C-N 3.33Å; K196-N198 PolarHBondContact O-N 3.33Å |
| 197 | L | 93.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | trans | -80.1 | 83 | 174.2 | -62.8 | 175 | 0 | 0 | 0 | 108.7 | I195 K199 Y202 L212 L333 F337 T338 V340 | I195-L197 HydrophobicContact CG2-CD2 4.45Å; L197-K199 PolarHBondContact O-N 3.07Å; L197-Y202 HydrophobicContact CD2-CD2 4.28Å; L197-Y202 HydrophobicContact CD2-CE2 4.35Å; L197-L212 HydrophobicContact CD2-CD2 3.69Å; L197-L333 HydrophobicContact CD1-CD2 3.61Å; L197-F337 HydrophobicContact CD1-CB 3.9Å; L197-T338 PolarHBondContact N-O 3Å; L197-V340 HydrophobicContact CD1-CG2 3.71Å; L197-V340 HydrophobicContact CD2-CG2 3.97Å; L197-V340 HydrophobicContact CG-CG2 3.92Å | ||
| 198 | N | 85.9 | Confident | 90.2 | Very high | 74 Ų | 74 | 58 Ų | 58 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | trans | -67.6 | 115.5 | 174.2 | -173.1 | -11 | 0 | 0 | 0 | 109.7 | K196 D200 V201 Y202 | K196-N198 VanDerWaalsContact C-N 3.33Å; K196-N198 PolarHBondContact O-N 3.33Å; N198-D200 VanDerWaalsContact C-N 3.25Å; N198-D200 PolarHBondContact O-N 2.85Å; N198-D200 WeakPolarHBondContact OD1-CB 2.96Å; N198-D200 PolarHBondContact OD1-N 2.78Å; N198-V201 HydrophobicContact CB-CB 4.25Å; N198-V201 HydrophobicContact CB-CG2 4.02Å; N198-V201 PolarHBondContact O-N 3.1Å; N198-Y202 WeakPolarHBondContact O-CD2 3.28Å; N198-Y202 PolarHBondContact O-N 2.87Å | ||
| 199 | K | 85.3 | Confident | 90.3 | Very high | 96 Ų | 96 | 58.8 Ų | 58.8 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.5 | -41.2 | 177.7 | -69.1 | -167.5 | -178.4 | -158.7 | 0 | 111.7 | L197 V201 L203 S335 | L197-K199 PolarHBondContact O-N 3.07Å; K199-V201 PolarHBondContact O-N 3.05Å; K199-L203 HydrophobicContact CB-CD1 3.73Å; K199-L203 HydrophobicContact CB-CG 4.24Å; K199-L203 HydrophobicContact CD-CD1 4.3Å; K199-L203 HydrophobicContact CG-CD1 4.16Å; K199-L203 WeakPolarHBondContact O-CB 3.32Å; K199-L203 WeakPolarHBondContact O-CG 3.2Å; K199-L203 PolarHBondContact O-N 3.07Å; K199-S335 WeakPolarHBondContact CE-O 3.38Å; K199-S335 PolarHBondContact NZ-O 2.81Å |
| 200 | D | 85 | Confident | 90.5 | Very high | 128 Ų | 128 | 62.6 Ų | 62.6 | 68% | 0.684 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65 | -14.1 | 179.6 | -53.3 | -31.3 | 0 | 0 | 0 | 113.5 | N198 | N198-D200 VanDerWaalsContact C-N 3.25Å; N198-D200 PolarHBondContact O-N 2.85Å; N198-D200 WeakPolarHBondContact OD1-CB 2.96Å; N198-D200 PolarHBondContact OD1-N 2.78Å |
| 201 | V | 87.7 | Confident | 90.6 | Very high | 64 Ų | 64 | 67 Ų | 67 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -105 | -51.4 | 179 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | N198 K199 S205 A208 | N198-V201 HydrophobicContact CB-CB 4.25Å; N198-V201 HydrophobicContact CB-CG2 4.02Å; N198-V201 PolarHBondContact O-N 3.1Å; K199-V201 PolarHBondContact O-N 3.05Å; V201-S205 WeakPolarHBondContact O-CB 3.39Å; V201-S205 PolarHBondContact O-N 3.37Å; V201-A208 HydrophobicContact CG1-CB 4.34Å |
| 202 | Y | 89.7 | Confident | 90.6 | Very high | 43 Ų | 43 | 67.3 Ų | 67.3 | 17% | 0.169 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -88.8 | -18.7 | -170.3 | -61.8 | -69.4 | 0 | 0 | 0 | 113.5 | L197 N198 A208 R209 L212 | L197-Y202 HydrophobicContact CD2-CD2 4.28Å; L197-Y202 HydrophobicContact CD2-CE2 4.35Å; N198-Y202 WeakPolarHBondContact O-CD2 3.28Å; N198-Y202 PolarHBondContact O-N 2.87Å; Y202-A208 HydrophobicContact CD1-CB 4.08Å; Y202-A208 HydrophobicContact CE1-CB 4.17Å; Y202-R209 WeakPolarHBondContact O-CD 3.15Å; Y202-R209 WeakPolarHBondContact O-CG 3.49Å; Y202-R209 PolarHBondContact O-NH1 2.91Å; Y202-L212 HydrophobicContact CD1-CD2 4.14Å; Y202-L212 HydrophobicContact CE1-CB 4.02Å; Y202-L212 HydrophobicContact CE1-CD2 3.55Å; Y202-L212 HydrophobicContact CE1-CG 4.4Å; Y202-L212 HydrophobicContact CE2-CD2 4.22Å |
| 203 | L | 85 | Confident | 90.8 | Very high | 63 Ų | 63 | 66.9 Ų | 66.9 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -41.6 | 169.9 | -69.1 | 176.9 | 0 | 0 | 0 | 111.3 | K199 R209 | K199-L203 HydrophobicContact CB-CD1 3.73Å; K199-L203 HydrophobicContact CB-CG 4.24Å; K199-L203 HydrophobicContact CD-CD1 4.3Å; K199-L203 HydrophobicContact CG-CD1 4.16Å; K199-L203 WeakPolarHBondContact O-CB 3.32Å; K199-L203 WeakPolarHBondContact O-CG 3.2Å; K199-L203 PolarHBondContact O-N 3.07Å; L203-R209 PolarHBondContact O-NH1 3.33Å |
| 204 | D | 87.2 | Confident | 91.1 | Very high | 131 Ų | 131 | 66.9 Ų | 66.9 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -14.8 | -170.8 | -63.6 | -27.9 | 0 | 0 | 0 | 114.1 | P206 | D204-P206 WeakPolarHBondContact O-CD 3.49Š|
| 205 | S | 93.2 | Very high | 91.1 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | trans | -119.2 | 96.9 | -176.9 | -172.2 | 0 | 0 | 0 | 0 | 113.3 | V201 T207 A208 R209 | V201-S205 WeakPolarHBondContact O-CB 3.39Å; V201-S205 PolarHBondContact O-N 3.37Å; S205-T207 PolarHBondContact O-N 3.25Å; S205-A208 PolarHBondContact O-N 2.85Å; S205-A208 VanDerWaalsContact O-N 3.17Å; S205-A208 WeakPolarHBondContact OG-CB 3.44Å; S205-A208 PolarHBondContact OG-N 2.96Å; S205-R209 PolarHBondContact O-N 3.05Å | ||
| 206 | P | 91.6 | Very high | 91.3 | Very high | 84 Ų | 84 | 65.9 Ų | 65.9 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.7 | -35.5 | 171.1 | -26.7 | 34.9 | 0 | 0 | 0 | 113.2 | D204 R209 M210 | D204-P206 WeakPolarHBondContact O-CD 3.49Å; P206-R209 PolarHBondContact O-N 3.49Å; P206-M210 WeakPolarHBondContact O-CB 3.32Å; P206-M210 PolarHBondContact O-N 3.29Å |
| 207 | T | 94.1 | Very high | 91.4 | Very high | 100 Ų | 100 | 60 Ų | 60 | 61% | 0.613 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 177 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | S205 M210 E211 | S205-T207 PolarHBondContact O-N 3.25Å; T207-M210 PolarHBondContact O-N 2.76Å; T207-E211 PolarHBondContact O-N 3.04Å |
| 208 | A | 93.4 | Very high | 91.2 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V201 Y202 S205 E211 L212 | V201-A208 HydrophobicContact CG1-CB 4.34Å; Y202-A208 HydrophobicContact CD1-CB 4.08Å; Y202-A208 HydrophobicContact CE1-CB 4.17Å; S205-A208 PolarHBondContact O-N 2.85Å; S205-A208 VanDerWaalsContact O-N 3.17Å; S205-A208 WeakPolarHBondContact OG-CB 3.44Å; S205-A208 PolarHBondContact OG-N 2.96Å; A208-E211 PolarHBondContact O-N 2.72Å; A208-L212 WeakPolarHBondContact O-CB 3.17Å; A208-L212 PolarHBondContact O-N 3.37Å |
| 209 | R | 94.8 | Very high | 91.5 | Very high | 24 Ų | 24 | 62 Ų | 62 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 173.1 | -71.7 | -163.1 | -70.6 | -121.1 | 14.4 | 112 | Y202 L203 S205 P206 L212 F213 W330 E331 | Y202-R209 WeakPolarHBondContact O-CD 3.15Å; Y202-R209 WeakPolarHBondContact O-CG 3.49Å; Y202-R209 PolarHBondContact O-NH1 2.91Å; L203-R209 PolarHBondContact O-NH1 3.33Å; S205-R209 PolarHBondContact O-N 3.05Å; P206-R209 PolarHBondContact O-N 3.49Å; R209-L212 PolarHBondContact O-N 3.01Å; R209-F213 WeakPolarHBondContact O-CB 3.46Å; R209-F213 PolarHBondContact O-N 2.79Å; R209-W330 PolarHBondContact O-NE1 3.28Å; R209-E331 IonicContact CZ-OE1 2.85Å; R209-E331 VanDerWaalsContact CZ-OE1 3.3Å; R209-E331 IonicContact NH1-OE1 3.92Å; R209-E331 IonicContact NH2-OE1 2.73Å; R209-E331 PolarHBondContact NH2-OE1 3.01Å |
| 210 | M | 94.7 | Very high | 91.7 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | -179.2 | -178.9 | 177.6 | 62.8 | 0 | 0 | 112 | P206 T207 F213 N214 | P206-M210 WeakPolarHBondContact O-CB 3.32Å; P206-M210 PolarHBondContact O-N 3.29Å; T207-M210 PolarHBondContact O-N 2.76Å; M210-F213 PolarHBondContact O-N 2.97Å; M210-N214 PolarHBondContact O-N 2.88Å; M210-N214 PolarHBondContact O-ND2 2.95Å |
| 211 | E | 93.2 | Very high | 91.9 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 177.5 | 179.3 | 52.7 | -149.5 | 0 | 0 | 111.3 | T207 A208 F213 N214 Q215 | T207-E211 PolarHBondContact O-N 3.04Å; A208-E211 PolarHBondContact O-N 2.72Å; E211-F213 PolarHBondContact O-N 2.77Å; E211-N214 WeakPolarHBondContact O-CB 3.36Å; E211-N214 PolarHBondContact O-N 3.34Å; E211-Q215 WeakPolarHBondContact O-CG 3.26Å; E211-Q215 PolarHBondContact O-N 3.27Å; E211-Q215 PolarHBondContact OE1-NE2 2.93Å |
| 212 | L | 93.8 | Very high | 91.7 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.6 | -179.9 | 57.1 | 0 | 0 | 0 | 112 | I195 L197 Y202 A208 R209 N214 Q215 L216 W330 | I195-L212 HydrophobicContact CD1-CD1 3.57Å; I195-L212 HydrophobicContact CG2-CD1 4.24Å; I195-L212 HydrophobicContact CG2-CD2 4.13Å; L197-L212 HydrophobicContact CD2-CD2 3.69Å; Y202-L212 HydrophobicContact CD1-CD2 4.14Å; Y202-L212 HydrophobicContact CE1-CB 4.02Å; Y202-L212 HydrophobicContact CE1-CD2 3.55Å; Y202-L212 HydrophobicContact CE1-CG 4.4Å; Y202-L212 HydrophobicContact CE2-CD2 4.22Å; A208-L212 WeakPolarHBondContact O-CB 3.17Å; A208-L212 PolarHBondContact O-N 3.37Å; R209-L212 PolarHBondContact O-N 3.01Å; L212-N214 VanDerWaalsContact C-N 3.31Å; L212-N214 PolarHBondContact O-N 2.79Å; L212-Q215 WeakPolarHBondContact O-CB 3.49Å; L212-Q215 PolarHBondContact O-N 3.34Å; L212-Q215 VanDerWaalsContact O-N 3.16Å; L212-L216 PolarHBondContact O-N 3.48Å; L212-W330 HydrophobicContact CB-CZ2 4.24Å; L212-W330 HydrophobicContact CD2-CH2 4.24Å; L212-W330 HydrophobicContact CD2-CZ2 3.7Å; L212-W330 HydrophobicContact CG-CH2 4.26Å; L212-W330 HydrophobicContact CG-CZ2 3.67Å |
| 213 | F | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 174.6 | -177.6 | -90.7 | 0 | 0 | 0 | 112.1 | R209 M210 E211 Q215 L216 K217 V257 K258 R259 M281 V283 W330 | R209-F213 WeakPolarHBondContact O-CB 3.46Å; R209-F213 PolarHBondContact O-N 2.79Å; M210-F213 PolarHBondContact O-N 2.97Å; E211-F213 PolarHBondContact O-N 2.77Å; F213-Q215 VanDerWaalsContact C-N 3.32Å; F213-Q215 PolarHBondContact O-N 2.95Å; F213-L216 PolarHBondContact O-N 3.25Å; F213-K217 HydrophobicContact CE1-CB 4.32Å; F213-K217 HydrophobicContact CE1-CD 4.02Å; F213-K217 VanDerWaalsContact O-CB 3.27Å; F213-K217 WeakPolarHBondContact O-CB 3.32Å; F213-K217 PolarHBondContact O-N 2.81Å; F213-V257 HydrophobicContact CD2-CG1 4.33Å; F213-V257 HydrophobicContact CE2-CG1 3.65Å; F213-V257 HydrophobicContact CZ-CG1 3.77Å; F213-K258 WeakPolarHBondContact CZ-O 3.5Å; F213-R259 HydrophobicContact CE1-CG 3.74Å; F213-R259 HydrophobicContact CZ-CG 4.18Å; F213-M281 HydrophobicContact CB-SD 3.68Å; F213-M281 HydrophobicContact CD1-CB 4.12Å; F213-M281 HydrophobicContact CD1-CG 3.72Å; F213-M281 HydrophobicContact CD1-SD 3.51Å; F213-M281 VanDerWaalsContact CD1-SD 3.51Å; F213-M281 HydrophobicContact CD2-CB 3.73Å; F213-M281 HydrophobicContact CD2-CG 4.24Å; F213-M281 HydrophobicContact CD2-SD 4.26Å; F213-M281 HydrophobicContact CE1-CB 4.03Å; F213-M281 HydrophobicContact CE1-CG 3.78Å; F213-M281 HydrophobicContact CE1-SD 4.2Å; F213-M281 HydrophobicContact CE2-CB 3.62Å; F213-M281 HydrophobicContact CE2-CG 4.28Å; F213-M281 HydrophobicContact CG-CB 3.97Å; F213-M281 HydrophobicContact CG-CG 3.95Å; F213-M281 HydrophobicContact CG-SD 3.53Å; F213-M281 VanDerWaalsContact CG-SD 3.53Å; F213-M281 HydrophobicContact CZ-CB 3.78Å; F213-M281 HydrophobicContact CZ-CG 4.06Å; F213-V283 HydrophobicContact CE2-CG1 4.41Å; F213-W330 HydrophobicContact CB-CD2 4.28Å; F213-W330 HydrophobicContact CB-CG 4.14Å; F213-W330 HydrophobicContact CD2-CB 3.83Å; F213-W330 AromaticContact CD2-CD2 3.76Å; F213-W330 HydrophobicContact CD2-CD2 3.76Å; F213-W330 HydrophobicContact CD2-CE3 4.17Å; F213-W330 AromaticContact CD2-CG 3.58Å; F213-W330 HydrophobicContact CD2-CG 3.58Å; F213-W330 HydrophobicContact CE2-CB 4.27Å; F213-W330 HydrophobicContact CE2-CG 4.46Å; F213-W330 HydrophobicContact CG-CG 4.25Å |
| 214 | N | 94.6 | Very high | 91.9 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 174.6 | -80.2 | -35.2 | 0 | 0 | 0 | 111.8 | M210 E211 L212 K218 R259 | M210-N214 PolarHBondContact O-N 2.88Å; M210-N214 PolarHBondContact O-ND2 2.95Å; E211-N214 WeakPolarHBondContact O-CB 3.36Å; E211-N214 PolarHBondContact O-N 3.34Å; L212-N214 VanDerWaalsContact C-N 3.31Å; L212-N214 PolarHBondContact O-N 2.79Å; N214-K218 VanDerWaalsContact O-CB 3.32Å; N214-K218 WeakPolarHBondContact O-CB 3.29Å; N214-K218 PolarHBondContact O-N 2.77Å; N214-R259 VanDerWaalsContact OD1-CZ 3.29Å; N214-R259 PolarHBondContact OD1-NH1 2.97Å; N214-R259 PolarHBondContact OD1-NH2 2.77Å |
| 215 | Q | 91.5 | Very high | 92.1 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 176.3 | -67.2 | 174.3 | 21.9 | 0 | 0 | 111.3 | E211 L212 F213 K218 A219 | E211-Q215 WeakPolarHBondContact O-CG 3.26Å; E211-Q215 PolarHBondContact O-N 3.27Å; E211-Q215 PolarHBondContact OE1-NE2 2.93Å; L212-Q215 WeakPolarHBondContact O-CB 3.49Å; L212-Q215 PolarHBondContact O-N 3.34Å; L212-Q215 VanDerWaalsContact O-N 3.16Å; F213-Q215 VanDerWaalsContact C-N 3.32Å; F213-Q215 PolarHBondContact O-N 2.95Å; Q215-K218 PolarHBondContact O-N 2.93Å; Q215-A219 WeakPolarHBondContact O-CB 3.44Å; Q215-A219 PolarHBondContact O-N 3.46Å |
| 216 | L | 93.7 | Very high | 92 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 176.9 | -169.4 | 70.6 | 0 | 0 | 0 | 111.2 | L212 F213 K218 A219 F220 M226 I254 V257 V283 W330 V340 L342 | L212-L216 PolarHBondContact O-N 3.48Å; F213-L216 PolarHBondContact O-N 3.25Å; L216-K218 VanDerWaalsContact C-N 3.33Å; L216-K218 PolarHBondContact O-N 3.41Å; L216-A219 PolarHBondContact O-N 3Å; L216-F220 WeakPolarHBondContact O-CB 3.45Å; L216-F220 PolarHBondContact O-N 3Å; L216-M226 HydrophobicContact CD1-CE 4.15Å; L216-M226 HydrophobicContact CD1-CG 4.41Å; L216-M226 HydrophobicContact CD1-SD 3.33Å; L216-M226 WeakPolarHBondContact CD1-SD 3.35Å; L216-M226 HydrophobicContact CG-SD 3.91Å; L216-M226 WeakPolarHBondContact O-CE 3.22Å; L216-I254 HydrophobicContact CD1-CD1 4.43Å; L216-I254 HydrophobicContact CD2-CD1 4.36Å; L216-V257 HydrophobicContact CD2-CG1 4.29Å; L216-V257 HydrophobicContact CD2-CG2 4.12Å; L216-V257 HydrophobicContact CG-CG1 4.41Å; L216-V257 HydrophobicContact CG-CG2 4.17Å; L216-V283 HydrophobicContact CD2-CG1 4.35Å; L216-W330 HydrophobicContact CD2-CE3 4.18Å; L216-W330 HydrophobicContact CD2-CH2 3.87Å; L216-W330 HydrophobicContact CD2-CZ3 3.46Å; L216-W330 VanDerWaalsContact CD2-CZ3 3.46Å; L216-V340 HydrophobicContact CD1-CG1 4.02Å; L216-L342 HydrophobicContact CD1-CD2 3.74Å; L216-L342 HydrophobicContact CD1-CG 4.26Å |
| 217 | K | 94.5 | Very high | 92.1 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 177.5 | -177.1 | 165.4 | -175 | 155.5 | 0 | 112.2 | F213 F220 N221 V257 | F213-K217 HydrophobicContact CE1-CB 4.32Å; F213-K217 HydrophobicContact CE1-CD 4.02Å; F213-K217 VanDerWaalsContact O-CB 3.27Å; F213-K217 WeakPolarHBondContact O-CB 3.32Å; F213-K217 PolarHBondContact O-N 2.81Å; K217-F220 PolarHBondContact O-N 2.91Å; K217-N221 WeakPolarHBondContact O-CB 3.47Å; K217-N221 VanDerWaalsContact O-CG 3.23Å; K217-N221 PolarHBondContact O-N 2.87Å; K217-N221 PolarHBondContact O-ND2 2.75Å; K217-V257 HydrophobicContact CB-CG1 3.88Å; K217-V257 HydrophobicContact CG-CG1 4.43Å |
| 218 | K | 90.7 | Very high | 92.1 | Very high | 124 Ų | 124 | 41.5 Ų | 41.5 | 54% | 0.539 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.7 | -50.7 | 174.8 | -178.8 | -175.6 | 171.8 | -171.8 | 0 | 110.6 | N214 Q215 L216 F220 N221 E222 | N214-K218 VanDerWaalsContact O-CB 3.32Å; N214-K218 WeakPolarHBondContact O-CB 3.29Å; N214-K218 PolarHBondContact O-N 2.77Å; Q215-K218 PolarHBondContact O-N 2.93Å; L216-K218 VanDerWaalsContact C-N 3.33Å; L216-K218 PolarHBondContact O-N 3.41Å; K218-F220 VanDerWaalsContact C-N 3.26Å; K218-F220 PolarHBondContact O-N 3.27Å; K218-N221 PolarHBondContact O-N 3.24Å; K218-E222 WeakPolarHBondContact CE-OE1 3.28Å; K218-E222 IonicContact NZ-OE1 3.17Å; K218-E222 WeakPolarHBondContact O-CB 3.15Å; K218-E222 WeakPolarHBondContact O-CG 3.41Å; K218-E222 PolarHBondContact O-N 2.66Å |
| 219 | A | 90.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -38.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q215 L216 E222 K223 A224 M226 L342 Y344 | Q215-A219 WeakPolarHBondContact O-CB 3.44Å; Q215-A219 PolarHBondContact O-N 3.46Å; L216-A219 PolarHBondContact O-N 3Å; A219-E222 CarbonylContact O-C 3.49Å; A219-E222 PolarHBondContact O-N 2.93Å; A219-K223 PolarHBondContact O-N 3.49Å; A219-A224 HydrophobicContact CB-CB 4.08Å; A219-A224 VanDerWaalsContact O-CB 3.24Å; A219-A224 WeakPolarHBondContact O-CB 3.33Å; A219-A224 PolarHBondContact O-N 2.92Å; A219-M226 HydrophobicContact CB-CE 3.43Å; A219-M226 VanDerWaalsContact CB-CE 3.43Å; A219-L342 HydrophobicContact CB-CD2 3.89Å; A219-Y344 HydrophobicContact CB-CD1 4.47Å; A219-Y344 HydrophobicContact CB-CE1 3.49Å; A219-Y344 VanDerWaalsContact CB-CE1 3.49Å; A219-Y344 WeakPolarHBondContact CB-OH 3.34Å |
| 220 | F | 90.2 | Very high | 92.2 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 179.8 | -177.9 | -94.5 | 0 | 0 | 0 | 110.8 | L216 K217 K218 E222 K223 M226 T255 E256 V257 | L216-F220 WeakPolarHBondContact O-CB 3.45Å; L216-F220 PolarHBondContact O-N 3Å; K217-F220 PolarHBondContact O-N 2.91Å; K218-F220 VanDerWaalsContact C-N 3.26Å; K218-F220 PolarHBondContact O-N 3.27Å; F220-E222 VanDerWaalsContact C-N 3.27Å; F220-E222 PolarHBondContact O-N 2.85Å; F220-K223 WeakPolarHBondContact O-CA 3.47Å; F220-K223 PolarHBondContact O-N 2.6Å; F220-M226 HydrophobicContact CB-CE 3.64Å; F220-M226 HydrophobicContact CB-SD 4.2Å; F220-M226 HydrophobicContact CD2-CE 4.5Å; F220-M226 HydrophobicContact CD2-SD 4.35Å; F220-T255 WeakPolarHBondContact CZ-O 3.4Å; F220-E256 WeakPolarHBondContact CE1-OE1 3.31Å; F220-V257 HydrophobicContact CB-CB 4.18Å; F220-V257 HydrophobicContact CB-CG2 4.02Å; F220-V257 HydrophobicContact CD1-CB 4.35Å; F220-V257 HydrophobicContact CD2-CG2 3.99Å; F220-V257 HydrophobicContact CG-CB 4.11Å; F220-V257 HydrophobicContact CG-CG2 3.95Å |
| 221 | N | 88.5 | Confident | 92 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 49% | 0.492 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.4 | -35.1 | 174.2 | -69.7 | -26.8 | 0 | 0 | 0 | 112.3 | K217 K218 K223 | K217-N221 WeakPolarHBondContact O-CB 3.47Å; K217-N221 VanDerWaalsContact O-CG 3.23Å; K217-N221 PolarHBondContact O-N 2.87Å; K217-N221 PolarHBondContact O-ND2 2.75Å; K218-N221 PolarHBondContact O-N 3.24Å; N221-K223 WeakPolarHBondContact O-CE 3.25Å; N221-K223 PolarHBondContact O-N 3.02Å |
| 222 | E | 85.2 | Confident | 91.9 | Very high | 82 Ų | 82 | 37 Ų | 37 | 38% | 0.383 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 8.3 | 172.1 | -70.1 | 176.6 | 179 | 0 | 0 | 113.7 | K218 A219 F220 A224 | K218-E222 WeakPolarHBondContact CE-OE1 3.28Å; K218-E222 IonicContact NZ-OE1 3.17Å; K218-E222 WeakPolarHBondContact O-CB 3.15Å; K218-E222 WeakPolarHBondContact O-CG 3.41Å; K218-E222 PolarHBondContact O-N 2.66Å; A219-E222 CarbonylContact O-C 3.49Å; A219-E222 PolarHBondContact O-N 2.93Å; F220-E222 VanDerWaalsContact C-N 3.27Å; F220-E222 PolarHBondContact O-N 2.85Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 2.94Å |
| 223 | K | 87.2 | Confident | 91.6 | Very high | 120 Ų | 120 | 43.2 Ų | 43.2 | 52% | 0.522 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 27.4 | 173.8 | -45.9 | -56.4 | 175.9 | -170.9 | 0 | 114.1 | H91 A219 F220 N221 Q345 | H91-K223 PolarHBondContact CE1-O 3.18Å; H91-K223 PolarHBondContact ND1-O 3.37Å; A219-K223 PolarHBondContact O-N 3.49Å; F220-K223 WeakPolarHBondContact O-CA 3.47Å; F220-K223 PolarHBondContact O-N 2.6Å; N221-K223 WeakPolarHBondContact O-CE 3.25Å; N221-K223 PolarHBondContact O-N 3.02Å; K223-Q345 PolarHBondContact O-NE2 2.94Å; K223-Q345 VanDerWaalsContact O-NE2 3.15Å |
| 224 | A | 90.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | trans | -65.1 | 138.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | A219 E222 M226 C343 Y344 | A219-A224 HydrophobicContact CB-CB 4.08Å; A219-A224 VanDerWaalsContact O-CB 3.24Å; A219-A224 WeakPolarHBondContact O-CB 3.33Å; A219-A224 PolarHBondContact O-N 2.92Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 2.94Å; A224-M226 HydrophobicContact CB-CE 3.84Å; A224-C343 VanDerWaalsContact CA-O 3.27Å; A224-C343 WeakPolarHBondContact CA-O 3.29Å; A224-C343 WeakPolarHBondContact CB-O 3.33Å; A224-Y344 HydrophobicContact CB-CD1 4.32Å | ||
| 225 | L | 91.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 145.7 | 168.2 | -65.5 | -168.7 | 0 | 0 | 0 | 109.1 | A87 H91 L94 L184 I187 T188 L342 C343 | A87-L225 HydrophobicContact CB-CB 4.37Å; A87-L225 HydrophobicContact CB-CD1 4.41Å; A87-L225 HydrophobicContact CB-CD2 4.09Å; A87-L225 WeakPolarHBondContact O-CD2 3.48Å; H91-L225 HydrophobicContact CB-CD2 4.39Å; H91-L225 WeakPolarHBondContact CD2-CD2 3.39Å; H91-L225 VanDerWaalsContact NE2-CD2 3.3Å; H91-L225 WeakPolarHBondContact NE2-CD2 3.39Å; L94-L225 HydrophobicContact CD1-CD1 4.31Å; L94-L225 HydrophobicContact CD1-CD2 4.49Å; L94-L225 HydrophobicContact CD1-CG 4.29Å; L184-L225 HydrophobicContact CD2-CB 3.54Å; L184-L225 HydrophobicContact CD2-CD1 3.91Å; L184-L225 HydrophobicContact CD2-CG 4.39Å; I187-L225 HydrophobicContact CG2-CD1 4.2Å; T188-L225 HydrophobicContact CG2-CD1 3.3Å; T188-L225 HydrophobicContact CG2-CG 3.78Å; L225-L342 CarbonylContact O-C 3.53Å; L225-L342 WeakPolarHBondContact O-CA 3.48Å; L225-C343 PolarHBondContact N-O 3.29Å; L225-C343 PolarHBondContact O-N 2.92Å |
| 226 | M | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 149.5 | -171 | -63.9 | 175.3 | -164.8 | 0 | 0 | 111.6 | L216 A219 F220 A224 I254 D341 L342 | L216-M226 HydrophobicContact CD1-CE 4.15Å; L216-M226 HydrophobicContact CD1-CG 4.41Å; L216-M226 HydrophobicContact CD1-SD 3.33Å; L216-M226 WeakPolarHBondContact CD1-SD 3.35Å; L216-M226 HydrophobicContact CG-SD 3.91Å; L216-M226 WeakPolarHBondContact O-CE 3.22Å; A219-M226 HydrophobicContact CB-CE 3.43Å; A219-M226 VanDerWaalsContact CB-CE 3.43Å; F220-M226 HydrophobicContact CB-CE 3.64Å; F220-M226 HydrophobicContact CB-SD 4.2Å; F220-M226 HydrophobicContact CD2-CE 4.5Å; F220-M226 HydrophobicContact CD2-SD 4.35Å; A224-M226 HydrophobicContact CB-CE 3.84Å; M226-I254 HydrophobicContact CB-CB 3.78Å; M226-I254 HydrophobicContact CB-CD1 3.91Å; M226-I254 HydrophobicContact CB-CG1 4.35Å; M226-I254 HydrophobicContact CB-CG2 4.39Å; M226-I254 PolarHBondContact O-N 3.25Å; M226-D341 VanDerWaalsContact CA-O 3.29Å; M226-D341 WeakPolarHBondContact CA-O 3.4Å; M226-L342 HydrophobicContact CE-CD2 4.03Å; M226-L342 HydrophobicContact CG-CB 4.37Å; M226-L342 HydrophobicContact CG-CD2 4.34Å; M226-L342 HydrophobicContact CG-CG 4.12Å; M226-L342 HydrophobicContact SD-CD2 4.36Å |
| 227 | A | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 165.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L180 Y252 D341 | L180-A227 HydrophobicContact CD1-CB 3.55Å; L180-A227 HydrophobicContact CD2-CB 3.1Å; L180-A227 HydrophobicContact CG-CB 3.73Å; A227-Y252 CarbonylContact C-O 3.57Å; A227-Y252 WeakPolarHBondContact CA-O 3.24Å; A227-Y252 WeakPolarHBondContact CB-O 3.35Å; A227-D341 PolarHBondContact N-O 3.03Å; A227-D341 PolarHBondContact O-N 2.84Å |
| 228 | V | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155.9 | -173.3 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | Y252 I254 L285 L333 F337 T339 V340 | V228-Y252 PolarHBondContact N-O 3.35Å; V228-Y252 PolarHBondContact O-N 2.99Å; V228-I254 HydrophobicContact CG1-CD1 3.49Å; V228-I254 VanDerWaalsContact CG1-CD1 3.49Å; V228-I254 HydrophobicContact CG1-CG1 3.96Å; V228-L285 HydrophobicContact CG2-CD1 3.85Å; V228-L285 HydrophobicContact CG2-CD2 3.71Å; V228-L285 HydrophobicContact CG2-CG 4.46Å; V228-L333 HydrophobicContact CG1-CD1 4.27Å; V228-F337 HydrophobicContact CB-CD1 3.7Å; V228-F337 HydrophobicContact CB-CE1 4.08Å; V228-F337 HydrophobicContact CB-CG 4.24Å; V228-F337 HydrophobicContact CG2-CD1 3.6Å; V228-F337 HydrophobicContact CG2-CE1 3.47Å; V228-F337 VanDerWaalsContact CG2-CE1 3.47Å; V228-F337 HydrophobicContact CG2-CG 4.23Å; V228-F337 HydrophobicContact CG2-CZ 3.97Å; V228-T339 VanDerWaalsContact CA-O 3.29Å; V228-T339 WeakPolarHBondContact CA-O 3.37Å; V228-V340 HydrophobicContact CG1-CB 4.15Å; V228-V340 HydrophobicContact CG1-CG1 3.98Å; V228-V340 HydrophobicContact CG1-CG2 3.86Å |
| 229 | S | 94.6 | Very high | 90.2 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 154.7 | 177.4 | 62.5 | 0 | 0 | 0 | 0 | 113.1 | H250 T338 T339 | S229-H250 WeakPolarHBondContact CA-O 3.47Å; S229-H250 WeakPolarHBondContact CB-O 3.45Å; S229-T338 PolarHBondContact O-N 3.35Å; S229-T338 PolarHBondContact O-OG1 3.35Å; S229-T339 PolarHBondContact N-O 3.11Å; S229-T339 PolarHBondContact O-N 3.33Å; S229-T339 VanDerWaalsContact O-N 3.15Å |
| 230 | I | 94.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 122.2 | 167.9 | -53.3 | 176.3 | 0 | 0 | 0 | 106.5 | A232 L242 L246 K248 G249 F337 T338 | I230-A232 PolarHBondContact O-N 3.46Å; I230-L242 HydrophobicContact CD1-CD1 3.8Å; I230-L246 HydrophobicContact CD1-CB 3.78Å; I230-L246 HydrophobicContact CD1-CD1 4.11Å; I230-K248 HydrophobicContact CG2-CG 3.92Å; I230-G249 PolarHBondContact O-N 3.45Å; I230-F337 HydrophobicContact CD1-CE1 4.46Å; I230-F337 HydrophobicContact CG1-CD1 3.74Å; I230-F337 HydrophobicContact CG1-CE1 3.99Å; I230-F337 HydrophobicContact CG1-CG 4.22Å; I230-T338 WeakPolarHBondContact CA-OG1 3.35Å; I230-T338 HydrophobicContact CG2-CG2 4.41Å |
| 231 | N | 91.4 | Very high | 90.4 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 136.4 | -179.1 | -70.4 | -21.4 | 0 | 0 | 0 | 110.8 | T338 T339 | N231-T338 HydrophobicContact CB-CG2 4.34Å; N231-T338 PolarHBondContact N-OG1 3.15Å; N231-T338 PolarHBondContact ND2-OG1 3.32Å; N231-T338 PolarHBondContact OD1-OG1 3.41Å; N231-T339 PolarHBondContact OD1-OG1 2.83Å |
| 232 | A | 90.2 | Very high | 90.7 | Very high | 32 Ų | 32 | 58.9 Ų | 58.9 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 129.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | I230 E237 V238 | I230-A232 PolarHBondContact O-N 3.46Å; A232-E237 HydrophobicContact CB-CB 3.79Å; A232-V238 HydrophobicContact CB-CG2 3.97Å |
| 233 | N | 89.1 | Confident | 91.1 | Very high | 139 Ų | 139 | 64.3 Ų | 64.3 | 74% | 0.743 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -86.9 | -24.4 | 179.3 | -55.4 | -65.7 | 0 | 0 | 0 | 111.9 | E237 | N233-E237 WeakPolarHBondContact CA-OE2 3.3Å; N233-E237 WeakPolarHBondContact CB-OE2 3.16Å; N233-E237 PolarHBondContact N-OE2 3.43Å; N233-E237 PolarHBondContact ND2-OE2 3.14Å |
| 234 | T | 89.7 | Confident | 91.5 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -127.5 | 165.6 | 175.8 | 82.2 | 0 | 0 | 0 | 0 | 110.7 | E236 E237 | T234-E236 WeakPolarHBondContact CB-OE2 3.31Å; T234-E236 PolarHBondContact O-N 3.42Å; T234-E236 PolarHBondContact OG1-N 3.5Å; T234-E236 PolarHBondContact OG1-OE2 3.23Å; T234-E237 PolarHBondContact O-N 3.44Å; T234-E237 PolarHBondContact OG1-N 3.29Å |
| 235 | L | 85 | Confident | 91.7 | Very high | 153 Ų | 153 | 60.2 Ų | 60.2 | 80% | 0.801 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -68 | -27.6 | 177.4 | -70.4 | 172.3 | 0 | 0 | 0 | 111.8 | E237 V238 | L235-E237 VanDerWaalsContact C-N 3.31Å; L235-V238 WeakPolarHBondContact O-CB 3.48Å; L235-V238 PolarHBondContact O-N 3Å |
| 236 | E | 88.4 | Confident | 91.9 | Very high | 155 Ų | 155 | 60.2 Ų | 60.2 | 72% | 0.724 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -25.5 | 177.1 | -57.3 | 75 | -160.8 | 0 | 0 | 112.6 | T234 V238 | T234-E236 WeakPolarHBondContact CB-OE2 3.31Å; T234-E236 PolarHBondContact O-N 3.42Å; T234-E236 PolarHBondContact OG1-N 3.5Å; T234-E236 PolarHBondContact OG1-OE2 3.23Å; E236-V238 VanDerWaalsContact C-N 3.29Å |
| 237 | E | 90.4 | Very high | 92 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -8.3 | 174.7 | -67.4 | -169.6 | 137.8 | 0 | 0 | 112.8 | A232 N233 T234 L235 E239 E240 K248 | A232-E237 HydrophobicContact CB-CB 3.79Å; N233-E237 WeakPolarHBondContact CA-OE2 3.3Å; N233-E237 WeakPolarHBondContact CB-OE2 3.16Å; N233-E237 PolarHBondContact N-OE2 3.43Å; N233-E237 PolarHBondContact ND2-OE2 3.14Å; T234-E237 PolarHBondContact O-N 3.44Å; T234-E237 PolarHBondContact OG1-N 3.29Å; L235-E237 VanDerWaalsContact C-N 3.31Å; E237-E239 PolarHBondContact O-N 3.25Å; E237-E240 VanDerWaalsContact O-CB 3.31Å; E237-E240 WeakPolarHBondContact O-CB 3.32Å; E237-E240 PolarHBondContact O-N 2.88Å; E237-K248 HydrophobicContact CB-CD 4.14Å; E237-K248 HydrophobicContact CG-CD 4.43Å; E237-K248 VanDerWaalsContact O-CB 3.23Å; E237-K248 WeakPolarHBondContact O-CB 3.14Å; E237-K248 IonicContact OE1-NZ 2.64Å; E237-K248 PolarHBondContact OE1-NZ 3.4Å |
| 238 | V | 88.4 | Confident | 92 | Very high | 64 Ų | 64 | 62.1 Ų | 62.1 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 126.2 | 178.7 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | A232 L235 E236 E240 | A232-V238 HydrophobicContact CB-CG2 3.97Å; L235-V238 WeakPolarHBondContact O-CB 3.48Å; L235-V238 PolarHBondContact O-N 3Å; E236-V238 VanDerWaalsContact C-N 3.29Å; V238-E240 PolarHBondContact O-N 3.18Å |
| 239 | E | 89 | Confident | 91.9 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 23.1 | -177.2 | -61.2 | 172.2 | 167.1 | 0 | 0 | 113 | Q73 E237 L247 K248 W289 | Q73-E239 PolarHBondContact NE2-OE1 3Å; E237-E239 PolarHBondContact O-N 3.25Å; E239-L247 VanDerWaalsContact O-CD2 3.32Å; E239-L247 WeakPolarHBondContact O-CD2 3.45Å; E239-K248 WeakPolarHBondContact CA-O 3.4Å; E239-K248 PolarHBondContact N-O 2.72Å; E239-W289 HydrophobicContact CB-CH2 3.87Å; E239-W289 HydrophobicContact CB-CZ2 3.95Å; E239-W289 HydrophobicContact CG-CH2 4.23Å; E239-W289 HydrophobicContact CG-CZ2 3.77Å |
| 240 | E | 91.9 | Very high | 91.7 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -72 | 124.1 | 174.5 | -176.4 | -169 | -167.3 | 0 | 0 | 111.1 | E237 V238 L247 K248 | E237-E240 VanDerWaalsContact O-CB 3.31Å; E237-E240 WeakPolarHBondContact O-CB 3.32Å; E237-E240 PolarHBondContact O-N 2.88Å; V238-E240 PolarHBondContact O-N 3.18Å; E240-L247 WeakPolarHBondContact O-CA 3.43Å; E240-K248 HydrophobicContact CB-CB 4.37Å; E240-K248 PolarHBondContact O-N 3.21Å; E240-K248 WeakPolarHBondContact OE2-CD 3.08Å; E240-K248 WeakPolarHBondContact OE2-CE 3.36Å; E240-K248 IonicContact OE2-NZ 2.93Å; E240-K248 PolarHBondContact OE2-NZ 2.69Å |
| 241 | P | 93.5 | Very high | 91.6 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 53% | 0.532 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -76 | 133 | 177.3 | 30.3 | -33.7 | 0 | 0 | 0 | 112.3 | L247 | P241-L247 HydrophobicContact CB-CD2 3.91Å |
| 242 | L | 94.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 159.9 | 171.2 | -58.7 | 178.1 | 0 | 0 | 0 | 110.8 | I230 C244 G245 L246 K248 | I230-L242 HydrophobicContact CD1-CD1 3.8Å; L242-C244 PolarHBondContact O-N 3.44Å; L242-C244 VanDerWaalsContact O-N 3.13Å; L242-G245 PolarHBondContact O-N 3.12Å; L242-L246 WeakPolarHBondContact CB-O 3.47Å; L242-L246 HydrophobicContact CD1-CB 4.35Å; L242-L246 WeakPolarHBondContact CG-O 3.31Å; L242-L246 PolarHBondContact N-O 3.37Å; L242-K248 HydrophobicContact CD2-CD 4.49Å; L242-K248 HydrophobicContact CD2-CG 4.12Å; L242-K248 HydrophobicContact CG-CG 4.45Å |
| 243 | E | 94.4 | Very high | 91.8 | Very high | 197 Ų | 197 | 57 Ų | 57 | 92% | 0.921 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29.6 | 175.9 | -64.7 | -176.5 | 170.1 | 0 | 0 | 112.9 | G245 N295 | E243-G245 PolarHBondContact O-N 3.31Å; E243-N295 PolarHBondContact O-ND2 3.2Å |
| 244 | C | 95 | Very high | 92 | Very high | 21 Ų | 21 | 50.6 Ų | 50.6 | 14% | 0.142 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 7.7 | 178.3 | 64.6 | 0 | 0 | 0 | 0 | 115 | L242 L246 W294 N295 | L242-C244 PolarHBondContact O-N 3.44Å; L242-C244 VanDerWaalsContact O-N 3.13Å; C244-L246 VanDerWaalsContact C-N 3.29Å; C244-L246 PolarHBondContact O-N 3.32Å; C244-W294 HydrophobicContact CB-CE3 3.96Å; C244-W294 HydrophobicContact CB-CH2 4.35Å; C244-W294 HydrophobicContact CB-CZ3 3.48Å; C244-W294 VanDerWaalsContact CB-CZ3 3.48Å; C244-N295 VanDerWaalsContact C-CG 3.49Å; C244-N295 WeakPolarHBondContact CA-OD1 3.46Å; C244-N295 PolarHBondContact O-N 2.87Å; C244-N295 PolarHBondContact O-OD1 3.45Å; C244-N295 VanDerWaalsContact O-OD1 3.07Å |
| 245 | G | 94.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 86.1 | -15 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L242 E243 E293 | L242-G245 PolarHBondContact O-N 3.12Å; E243-G245 PolarHBondContact O-N 3.31Å; G245-E293 WeakPolarHBondContact CA-O 3.23Å |
| 246 | L | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -76.1 | 160.1 | 177.6 | -57.2 | 177.1 | 0 | 0 | 0 | 112.4 | I230 L242 C244 Y252 W294 F326 H336 F337 | I230-L246 HydrophobicContact CD1-CB 3.78Å; I230-L246 HydrophobicContact CD1-CD1 4.11Å; L242-L246 WeakPolarHBondContact CB-O 3.47Å; L242-L246 HydrophobicContact CD1-CB 4.35Å; L242-L246 WeakPolarHBondContact CG-O 3.31Å; L242-L246 PolarHBondContact N-O 3.37Å; C244-L246 VanDerWaalsContact C-N 3.29Å; C244-L246 PolarHBondContact O-N 3.32Å; L246-Y252 HydrophobicContact CD2-CE1 4.48Å; L246-W294 HydrophobicContact CD1-CE3 3.89Å; L246-W294 HydrophobicContact CD1-CZ3 4.16Å; L246-W294 HydrophobicContact CD2-CB 4.24Å; L246-W294 HydrophobicContact CD2-CE3 4.44Å; L246-W294 HydrophobicContact CG-CE3 3.99Å; L246-F326 HydrophobicContact CD2-CE2 4.05Å; L246-F326 HydrophobicContact CD2-CZ 3.69Å; L246-H336 HydrophobicContact CD1-CB 3.88Å; L246-F337 HydrophobicContact CD1-CD2 4.46Å; L246-F337 HydrophobicContact CD1-CE2 3.69Å; L246-F337 HydrophobicContact CD1-CZ 3.98Å; L246-F337 HydrophobicContact CD2-CE2 4.36Å; L246-F337 HydrophobicContact CD2-CZ 4.03Å | ||
| 247 | L | 94.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -116.2 | 133.9 | -177.4 | -65.3 | 158.2 | 0 | 0 | 0 | 111 | E239 E240 P241 H250 Y252 W289 K292 | E239-L247 VanDerWaalsContact O-CD2 3.32Å; E239-L247 WeakPolarHBondContact O-CD2 3.45Å; E240-L247 WeakPolarHBondContact O-CA 3.43Å; P241-L247 HydrophobicContact CB-CD2 3.91Å; L247-H250 HydrophobicContact CB-CB 3.61Å; L247-Y252 WeakPolarHBondContact CB-OH 3.41Å; L247-Y252 PolarHBondContact N-OH 2.8Å; L247-W289 HydrophobicContact CD1-CD2 4.22Å; L247-W289 HydrophobicContact CD1-CE3 3.67Å; L247-W289 HydrophobicContact CD1-CH2 3.85Å; L247-W289 HydrophobicContact CD1-CZ2 4.36Å; L247-W289 HydrophobicContact CD1-CZ3 3.46Å; L247-W289 VanDerWaalsContact CD1-CZ3 3.46Å; L247-W289 HydrophobicContact CD2-CH2 4.25Å; L247-W289 HydrophobicContact CD2-CZ3 4.04Å; L247-W289 HydrophobicContact CG-CZ3 4.44Å; L247-K292 HydrophobicContact CD1-CB 4.3Å |
| 248 | K | 93.2 | Very high | 93 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 17% | 0.17 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 154.5 | 166.6 | -69.3 | -172.9 | -166.2 | 156.9 | 0 | 110.9 | I230 E237 E239 E240 L242 H250 | I230-K248 HydrophobicContact CG2-CG 3.92Å; E237-K248 HydrophobicContact CB-CD 4.14Å; E237-K248 HydrophobicContact CG-CD 4.43Å; E237-K248 VanDerWaalsContact O-CB 3.23Å; E237-K248 WeakPolarHBondContact O-CB 3.14Å; E237-K248 IonicContact OE1-NZ 2.64Å; E237-K248 PolarHBondContact OE1-NZ 3.4Å; E239-K248 WeakPolarHBondContact CA-O 3.4Å; E239-K248 PolarHBondContact N-O 2.72Å; E240-K248 HydrophobicContact CB-CB 4.37Å; E240-K248 PolarHBondContact O-N 3.21Å; E240-K248 WeakPolarHBondContact OE2-CD 3.08Å; E240-K248 WeakPolarHBondContact OE2-CE 3.36Å; E240-K248 IonicContact OE2-NZ 2.93Å; E240-K248 PolarHBondContact OE2-NZ 2.69Å; L242-K248 HydrophobicContact CD2-CD 4.49Å; L242-K248 HydrophobicContact CD2-CG 4.12Å; L242-K248 HydrophobicContact CG-CG 4.45Å; K248-H250 PolarHBondContact O-N 3.33Å |
| 249 | G | 91.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 17.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | I230 | I230-G249 PolarHBondContact O-N 3.45Š|
| 250 | H | 92.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -119.2 | 152.1 | -173.7 | -165.7 | 48.8 | 0 | 0 | 0 | 112.2 | C79 S229 L247 K248 Y252 N287 W289 | C79-H250 VanDerWaalsContact CB-CE1 3.46Å; C79-H250 WeakPolarHBondContact CB-CE1 3.33Å; C79-H250 VanDerWaalsContact CB-ND1 3.32Å; C79-H250 WeakPolarHBondContact CB-ND1 3.49Å; S229-H250 WeakPolarHBondContact CA-O 3.47Å; S229-H250 WeakPolarHBondContact CB-O 3.45Å; L247-H250 HydrophobicContact CB-CB 3.61Å; K248-H250 PolarHBondContact O-N 3.33Å; H250-Y252 HydrophobicContact CB-CE2 4.21Å; H250-Y252 AromaticContact CD2-CE2 3.75Å; H250-Y252 AromaticContact CD2-CZ 3.67Å; H250-N287 PolarHBondContact NE2-OD1 2.78Å; H250-W289 AromaticContact CE1-CD1 3.72Å; H250-W289 AromaticContact CE1-CE2 3.78Å; H250-W289 AromaticContact CE1-NE1 3.35Å; H250-W289 PolarHBondContact CE1-NE1 2.86Å; H250-W289 VanDerWaalsContact CE1-NE1 3.35Å; H250-W289 AromaticContact NE2-NE1 3.95Å | ||
| 251 | S | 91.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.5 | -177.3 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | P288 | S251-P288 WeakPolarHBondContact O-CD 3.2Å; S251-P288 WeakPolarHBondContact O-CG 3.49Å |
| 252 | Y | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | 177 | -61 | -101.8 | 0 | 0 | 0 | 110.2 | A227 V228 L246 L247 H250 Q286 N287 F326 F337 | A227-Y252 CarbonylContact C-O 3.57Å; A227-Y252 WeakPolarHBondContact CA-O 3.24Å; A227-Y252 WeakPolarHBondContact CB-O 3.35Å; V228-Y252 PolarHBondContact N-O 3.35Å; V228-Y252 PolarHBondContact O-N 2.99Å; L246-Y252 HydrophobicContact CD2-CE1 4.48Å; L247-Y252 WeakPolarHBondContact CB-OH 3.41Å; L247-Y252 PolarHBondContact N-OH 2.8Å; H250-Y252 HydrophobicContact CB-CE2 4.21Å; H250-Y252 AromaticContact CD2-CE2 3.75Å; H250-Y252 AromaticContact CD2-CZ 3.67Å; Y252-Q286 CarbonylContact C-O 3.58Å; Y252-Q286 VanDerWaalsContact CA-O 3.31Å; Y252-Q286 WeakPolarHBondContact CA-O 3.44Å; Y252-N287 HydrophobicContact CD1-CB 3.9Å; Y252-N287 HydrophobicContact CE1-CB 3.72Å; Y252-F326 AromaticContact CD1-CE1 3.91Å; Y252-F326 HydrophobicContact CD1-CE1 3.91Å; Y252-F326 AromaticContact CD1-CZ 3.88Å; Y252-F326 HydrophobicContact CD1-CZ 3.88Å; Y252-F326 AromaticContact CE1-CE1 3.91Å; Y252-F326 HydrophobicContact CE1-CE1 3.91Å; Y252-F326 AromaticContact CE1-CZ 3.94Å; Y252-F326 HydrophobicContact CE1-CZ 3.94Å; Y252-F337 AromaticContact CD2-CE1 3.67Å; Y252-F337 HydrophobicContact CD2-CE1 3.67Å; Y252-F337 HydrophobicContact CD2-CZ 4.11Å; Y252-F337 HydrophobicContact CE2-CE1 4.06Å; Y252-F337 HydrophobicContact CE2-CZ 4.36Å; Y252-F337 HydrophobicContact CG-CE1 4.35Å; Y252-F337 HydrophobicContact CG-CZ 4.47Å |
| 253 | A | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 133.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | A83 A87 T255 L285 Q286 | A83-A253 WeakPolarHBondContact O-CB 3.39Å; A87-A253 HydrophobicContact CB-CB 4.19Å; A253-T255 HydrophobicContact CB-CG2 4.28Å; A253-T255 PolarHBondContact O-N 2.85Å; A253-L285 CarbonylContact O-C 3.54Å; A253-L285 WeakPolarHBondContact O-CA 3.33Å; A253-Q286 HydrophobicContact CB-CB 4.25Å; A253-Q286 PolarHBondContact N-O 3.03Å; A253-Q286 PolarHBondContact O-N 2.85Å |
| 254 | I | 93 | Very high | 92.9 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 114.9 | 166.1 | -66.1 | 162.6 | 0 | 0 | 0 | 107.6 | L216 M226 V228 V257 R284 L285 V340 | L216-I254 HydrophobicContact CD1-CD1 4.43Å; L216-I254 HydrophobicContact CD2-CD1 4.36Å; M226-I254 HydrophobicContact CB-CB 3.78Å; M226-I254 HydrophobicContact CB-CD1 3.91Å; M226-I254 HydrophobicContact CB-CG1 4.35Å; M226-I254 HydrophobicContact CB-CG2 4.39Å; M226-I254 PolarHBondContact O-N 3.25Å; V228-I254 HydrophobicContact CG1-CD1 3.49Å; V228-I254 VanDerWaalsContact CG1-CD1 3.49Å; V228-I254 HydrophobicContact CG1-CG1 3.96Å; I254-V257 HydrophobicContact CG2-CG2 3.62Å; I254-R284 WeakPolarHBondContact CA-O 3.22Å; I254-L285 HydrophobicContact CB-CD2 4.22Å; I254-L285 HydrophobicContact CG1-CD2 3.44Å; I254-L285 VanDerWaalsContact CG1-CD2 3.44Å; I254-V340 HydrophobicContact CD1-CG1 4.01Å |
| 255 | T | 91.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -14.2 | -176 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | V68 F220 A253 R284 Q286 E325 | V68-T255 HydrophobicContact CG1-CG2 4.37Å; F220-T255 WeakPolarHBondContact CZ-O 3.4Å; A253-T255 HydrophobicContact CB-CG2 4.28Å; A253-T255 PolarHBondContact O-N 2.85Å; T255-R284 PolarHBondContact N-O 2.81Å; T255-R284 PolarHBondContact OG1-NE 2.82Å; T255-Q286 HydrophobicContact CG2-CB 3.95Å; T255-E325 PolarHBondContact OG1-OE1 3.03Å |
| 256 | E | 92.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 35 Ų | 35 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 146 | 174.8 | -172.2 | 53.4 | -99.5 | 0 | 0 | 111.8 | F220 K258 V283 R284 W327 | F220-E256 WeakPolarHBondContact CE1-OE1 3.31Å; E256-K258 HydrophobicContact CG-CB 4.28Å; E256-V283 WeakPolarHBondContact O-CA 3.43Å; E256-R284 HydrophobicContact CB-CB 3.83Å; E256-R284 PolarHBondContact O-N 2.75Å; E256-W327 HydrophobicContact CB-CH2 3.82Å; E256-W327 HydrophobicContact CB-CZ2 4.4Å; E256-W327 HydrophobicContact CB-CZ3 4.42Å; E256-W327 HydrophobicContact CG-CH2 3.5Å; E256-W327 HydrophobicContact CG-CZ2 4.3Å; E256-W327 HydrophobicContact CG-CZ3 4.26Å |
| 257 | V | 95.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 100.4 | 177 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | F213 L216 K217 F220 I254 V283 | F213-V257 HydrophobicContact CD2-CG1 4.33Å; F213-V257 HydrophobicContact CE2-CG1 3.65Å; F213-V257 HydrophobicContact CZ-CG1 3.77Å; L216-V257 HydrophobicContact CD2-CG1 4.29Å; L216-V257 HydrophobicContact CD2-CG2 4.12Å; L216-V257 HydrophobicContact CG-CG1 4.41Å; L216-V257 HydrophobicContact CG-CG2 4.17Å; K217-V257 HydrophobicContact CB-CG1 3.88Å; K217-V257 HydrophobicContact CG-CG1 4.43Å; F220-V257 HydrophobicContact CB-CB 4.18Å; F220-V257 HydrophobicContact CB-CG2 4.02Å; F220-V257 HydrophobicContact CD1-CB 4.35Å; F220-V257 HydrophobicContact CD2-CG2 3.99Å; F220-V257 HydrophobicContact CG-CB 4.11Å; F220-V257 HydrophobicContact CG-CG2 3.95Å; I254-V257 HydrophobicContact CG2-CG2 3.62Å; V257-V283 HydrophobicContact CG1-CG1 4.46Å; V257-V283 HydrophobicContact CG2-CG1 4.48Å |
| 258 | K | 95.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 39.4 Ų | 39.4 | 19% | 0.191 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.5 | -167.1 | -161.8 | 166.6 | -178.3 | 177.4 | 0 | 112.6 | F213 E256 L260 M282 E315 L316 W327 | F213-K258 WeakPolarHBondContact CZ-O 3.5Å; E256-K258 HydrophobicContact CG-CB 4.28Å; K258-L260 HydrophobicContact CD-CD2 4.08Å; K258-L260 HydrophobicContact CG-CD2 4.1Å; K258-M282 PolarHBondContact N-O 2.98Å; K258-M282 PolarHBondContact O-N 2.94Å; K258-M282 VanDerWaalsContact O-O 3.1Å; K258-E315 IonicContact NZ-OE1 3.53Å; K258-E315 PolarHBondContact NZ-OE1 2.9Å; K258-E315 IonicContact NZ-OE2 3.3Å; K258-L316 HydrophobicContact CD-CD2 3.87Å; K258-W327 HydrophobicContact CB-CH2 4.43Å; K258-W327 HydrophobicContact CB-CZ3 4.42Å |
| 259 | R | 95.7 | Very high | 90.7 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 27% | 0.272 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.4 | 168 | -73.5 | -177.5 | 165.6 | 108.6 | 7.9 | 107.4 | F213 N214 K279 V280 | F213-R259 HydrophobicContact CE1-CG 3.74Å; F213-R259 HydrophobicContact CZ-CG 4.18Å; N214-R259 VanDerWaalsContact OD1-CZ 3.29Å; N214-R259 PolarHBondContact OD1-NH1 2.97Å; N214-R259 PolarHBondContact OD1-NH2 2.77Å; R259-K279 HydrophobicContact CB-CB 4.38Å; R259-K279 HydrophobicContact CB-CD 4.22Å; R259-V280 WeakPolarHBondContact CA-O 3.19Å |
| 260 | L | 94.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136 | 175.9 | -55.2 | -176.4 | 0 | 0 | 0 | 109.1 | K258 K279 V280 M282 W305 I308 L316 | K258-L260 HydrophobicContact CD-CD2 4.08Å; K258-L260 HydrophobicContact CG-CD2 4.1Å; L260-K279 CarbonylContact O-C 3.47Å; L260-K279 WeakPolarHBondContact O-CA 3.29Å; L260-V280 PolarHBondContact N-O 3.07Å; L260-V280 PolarHBondContact O-N 3.44Å; L260-M282 HydrophobicContact CD1-CB 4.41Å; L260-M282 HydrophobicContact CD1-CG 3.69Å; L260-M282 HydrophobicContact CG-CB 4.41Å; L260-M282 HydrophobicContact CG-CG 3.85Å; L260-W305 HydrophobicContact CD1-CZ3 4.28Å; L260-I308 HydrophobicContact CB-CG2 4.1Å; L260-I308 HydrophobicContact CD1-CD1 3.98Å; L260-I308 HydrophobicContact CD1-CG2 4.49Å; L260-L316 HydrophobicContact CD1-CD1 3.74Å; L260-L316 HydrophobicContact CD2-CD1 4Å; L260-L316 HydrophobicContact CD2-CD2 4.08Å; L260-L316 HydrophobicContact CD2-CG 4.35Å |
| 261 | S | 92.9 | Very high | 89.9 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.9 | 177.4 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | Q312 | S261-Q312 PolarHBondContact O-NE2 3.44Å; S261-Q312 PolarHBondContact O-OE1 3.08Å |
| 262 | L | 92 | Very high | 89.4 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 139.5 | 173.2 | -67.1 | -179.5 | 0 | 0 | 0 | 110.5 | F266 Q267 E278 V280 Q307 | L262-F266 HydrophobicContact CB-CB 4.41Å; L262-Q267 HydrophobicContact CB-CG 4.37Å; L262-Q267 PolarHBondContact O-NE2 2.79Å; L262-Q267 VanDerWaalsContact O-NE2 3.09Å; L262-E278 HydrophobicContact CD1-CB 4.01Å; L262-E278 PolarHBondContact N-O 2.94Å; L262-V280 HydrophobicContact CD1-CG2 4.25Å; L262-V280 HydrophobicContact CD2-CG2 3.45Å; L262-V280 VanDerWaalsContact CD2-CG2 3.45Å; L262-V280 HydrophobicContact CG-CG2 3.85Å; L262-Q307 HydrophobicContact CD2-CB 3.95Å |
| 263 | D | 88.7 | Confident | 89.1 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 150.1 | 170.5 | -173.1 | -84.2 | 0 | 0 | 0 | 110 | R265 F266 Q267 Q307 | D263-R265 PolarHBondContact O-N 2.98Å; D263-R265 IonicContact OD1-CZ 3.72Å; D263-R265 PolarHBondContact OD1-N 3.13Å; D263-R265 IonicContact OD1-NE 2.89Å; D263-F266 HydrophobicContact CB-CD2 4.27Å; D263-F266 PolarHBondContact O-N 2.82Å; D263-Q267 PolarHBondContact O-N 3.24Å; D263-Q307 WeakPolarHBondContact CB-O 3.41Å; D263-Q307 PolarHBondContact N-O 3.41Å |
| 264 | S | 84.5 | Confident | 88.8 | Confident | 92 Ų | 92 | 63.7 Ų | 63.7 | 64% | 0.643 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -56.1 | -28.6 | -172.9 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | F266 Q267 | S264-F266 PolarHBondContact O-N 2.91Å; S264-Q267 PolarHBondContact O-N 3.33Å |
| 265 | R | 86.3 | Confident | 88.2 | Confident | 191 Ų | 191 | 70.4 Ų | 70.4 | 72% | 0.721 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -67.7 | -20.4 | 176.4 | -63 | -171.6 | -61.5 | -120.7 | -4.8 | 114.4 | D263 | D263-R265 PolarHBondContact O-N 2.98Å; D263-R265 IonicContact OD1-CZ 3.72Å; D263-R265 PolarHBondContact OD1-N 3.13Å; D263-R265 IonicContact OD1-NE 2.89Å |
| 266 | F | 87 | Confident | 87.8 | Confident | 89 Ų | 89 | 73.6 Ų | 73.6 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -110.3 | 2.8 | -177.3 | -64.1 | -82.8 | 0 | 0 | 0 | 112.9 | L262 D263 S264 N306 Q307 | L262-F266 HydrophobicContact CB-CB 4.41Å; D263-F266 HydrophobicContact CB-CD2 4.27Å; D263-F266 PolarHBondContact O-N 2.82Å; S264-F266 PolarHBondContact O-N 2.91Å; F266-N306 WeakPolarHBondContact CE2-O 3.42Å; F266-Q307 HydrophobicContact CB-CB 4.45Å; F266-Q307 HydrophobicContact CD1-CB 4.31Å; F266-Q307 HydrophobicContact CD1-CG 3.78Å; F266-Q307 HydrophobicContact CD2-CB 3.96Å; F266-Q307 HydrophobicContact CD2-CG 4.2Å; F266-Q307 HydrophobicContact CE1-CG 3.79Å; F266-Q307 HydrophobicContact CE2-CB 4.23Å; F266-Q307 HydrophobicContact CE2-CG 4.2Å; F266-Q307 HydrophobicContact CG-CB 3.99Å; F266-Q307 HydrophobicContact CG-CG 3.98Å; F266-Q307 HydrophobicContact CZ-CG 3.99Å |
| 267 | Q | 85 | Confident | 87.3 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 24% | 0.243 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -77.8 | 140.8 | 175.9 | -70.4 | -173.9 | 22.9 | 0 | 0 | 111.1 | L262 D263 S264 S271 | L262-Q267 HydrophobicContact CB-CG 4.37Å; L262-Q267 PolarHBondContact O-NE2 2.79Å; L262-Q267 VanDerWaalsContact O-NE2 3.09Å; D263-Q267 PolarHBondContact O-N 3.24Å; S264-Q267 PolarHBondContact O-N 3.33Å; Q267-S271 PolarHBondContact OE1-OG 2.6Å |
| 268 | S | 84.8 | Confident | 86.9 | Confident | 42 Ų | 42 | 77 Ų | 77 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | trans | -63.2 | 161.4 | 172.2 | 75 | 0 | 0 | 0 | 0 | 113 | F270 S271 S272 E278 | S268-F270 PolarHBondContact O-N 2.85Å; S268-F270 PolarHBondContact OG-N 3.02Å; S268-S271 WeakPolarHBondContact O-CB 3.31Å; S268-S271 PolarHBondContact O-N 2.76Å; S268-S271 VanDerWaalsContact O-N 3.12Å; S268-S271 PolarHBondContact OG-N 2.85Å; S268-S272 PolarHBondContact O-N 3.36Å; S268-S272 VanDerWaalsContact O-N 3.09Å; S268-E278 WeakPolarHBondContact CB-OE1 3.07Å; S268-E278 PolarHBondContact N-OE2 2.81Å; S268-E278 PolarHBondContact OG-OE1 2.82Å | ||
| 269 | L | 84.4 | Confident | 86.6 | Confident | 130 Ų | 130 | 80.5 Ų | 80.5 | 68% | 0.681 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.2 | -32.1 | 172.5 | -173.9 | 65.9 | 0 | 0 | 0 | 112.1 | S272 L273 | L269-S272 PolarHBondContact O-OG 3.33Å; L269-L273 HydrophobicContact CD1-CD1 4.36Å; L269-L273 HydrophobicContact CD1-CG 4.39Å; L269-L273 HydrophobicContact CD2-CD1 4.47Å; L269-L273 HydrophobicContact CG-CD1 3.92Å; L269-L273 HydrophobicContact CG-CG 4.37Å; L269-L273 WeakPolarHBondContact O-CB 3.11Å; L269-L273 VanDerWaalsContact O-CG 3.22Å; L269-L273 WeakPolarHBondContact O-CG 3.3Å; L269-L273 PolarHBondContact O-N 3.07Å |
| 270 | F | 83.4 | Confident | 86.5 | Confident | 128 Ų | 128 | 78.4 Ų | 78.4 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.6 | -45.8 | 176.6 | -175.1 | -88.9 | 0 | 0 | 0 | 111.1 | S268 S272 L273 F274 | S268-F270 PolarHBondContact O-N 2.85Å; S268-F270 PolarHBondContact OG-N 3.02Å; F270-S272 VanDerWaalsContact C-N 3.31Å; F270-S272 PolarHBondContact O-N 3.21Å; F270-L273 PolarHBondContact O-N 3.34Å; F270-F274 HydrophobicContact CD1-CD2 4.1Å; F270-F274 AromaticContact CD2-CD2 3.6Å; F270-F274 HydrophobicContact CD2-CD2 3.6Å; F270-F274 AromaticContact CD2-CE2 3.51Å; F270-F274 HydrophobicContact CD2-CE2 3.51Å; F270-F274 AromaticContact CE1-CD2 3.94Å; F270-F274 HydrophobicContact CE1-CD2 3.94Å; F270-F274 AromaticContact CE2-CD2 3.43Å; F270-F274 HydrophobicContact CE2-CD2 3.43Å; F270-F274 VanDerWaalsContact CE2-CD2 3.43Å; F270-F274 AromaticContact CE2-CE2 3.25Å; F270-F274 HydrophobicContact CE2-CE2 3.25Å; F270-F274 HydrophobicContact CE2-CG 4.5Å; F270-F274 HydrophobicContact CE2-CZ 4.2Å; F270-F274 AromaticContact CG-CD2 3.94Å; F270-F274 HydrophobicContact CG-CD2 3.94Å; F270-F274 HydrophobicContact CG-CE2 4.29Å; F270-F274 AromaticContact CZ-CD2 3.6Å; F270-F274 HydrophobicContact CZ-CD2 3.6Å; F270-F274 AromaticContact CZ-CE2 3.85Å; F270-F274 HydrophobicContact CZ-CE2 3.85Å; F270-F274 HydrophobicContact CZ-CG 4.32Å; F270-F274 WeakPolarHBondContact O-CD2 3.35Å; F270-F274 PolarHBondContact O-N 2.88Å |
| 271 | S | 83 | Confident | 86.6 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.007 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 175.4 | 177 | 0 | 0 | 0 | 0 | 111.9 | Q267 S268 N275 T276 E278 | Q267-S271 PolarHBondContact OE1-OG 2.6Å; S268-S271 WeakPolarHBondContact O-CB 3.31Å; S268-S271 PolarHBondContact O-N 2.76Å; S268-S271 VanDerWaalsContact O-N 3.12Å; S268-S271 PolarHBondContact OG-N 2.85Å; S271-N275 WeakPolarHBondContact O-CA 3.32Å; S271-N275 PolarHBondContact O-N 2.82Å; S271-T276 WeakPolarHBondContact CB-O 3.07Å; S271-T276 PolarHBondContact O-N 2.9Å; S271-T276 PolarHBondContact OG-O 2.85Å; S271-E278 PolarHBondContact OG-N 3.46Å |
| 272 | S | 81.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 78.6 Ų | 78.6 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.2 | -38.1 | -179.4 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | S268 L269 F270 | S268-S272 PolarHBondContact O-N 3.36Å; S268-S272 VanDerWaalsContact O-N 3.09Å; L269-S272 PolarHBondContact O-OG 3.33Å; F270-S272 VanDerWaalsContact C-N 3.31Å; F270-S272 PolarHBondContact O-N 3.21Å |
| 273 | L | 86.1 | Confident | 87.1 | Confident | 126 Ų | 126 | 77.6 Ų | 77.6 | 66% | 0.66 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -70 | -37.4 | 178.3 | -74.7 | 172.2 | 0 | 0 | 0 | 113.2 | L269 F270 | L269-L273 HydrophobicContact CD1-CD1 4.36Å; L269-L273 HydrophobicContact CD1-CG 4.39Å; L269-L273 HydrophobicContact CD2-CD1 4.47Å; L269-L273 HydrophobicContact CG-CD1 3.92Å; L269-L273 HydrophobicContact CG-CG 4.37Å; L269-L273 WeakPolarHBondContact O-CB 3.11Å; L269-L273 VanDerWaalsContact O-CG 3.22Å; L269-L273 WeakPolarHBondContact O-CG 3.3Å; L269-L273 PolarHBondContact O-N 3.07Å; F270-L273 PolarHBondContact O-N 3.34Å |
| 274 | F | 87.1 | Confident | 87.3 | Confident | 129 Ų | 129 | 76.9 Ų | 76.9 | 57% | 0.566 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -100.7 | 4.2 | -177.5 | -66 | -75.5 | 0 | 0 | 0 | 114 | F270 T276 | F270-F274 HydrophobicContact CD1-CD2 4.1Å; F270-F274 AromaticContact CD2-CD2 3.6Å; F270-F274 HydrophobicContact CD2-CD2 3.6Å; F270-F274 AromaticContact CD2-CE2 3.51Å; F270-F274 HydrophobicContact CD2-CE2 3.51Å; F270-F274 AromaticContact CE1-CD2 3.94Å; F270-F274 HydrophobicContact CE1-CD2 3.94Å; F270-F274 AromaticContact CE2-CD2 3.43Å; F270-F274 HydrophobicContact CE2-CD2 3.43Å; F270-F274 VanDerWaalsContact CE2-CD2 3.43Å; F270-F274 AromaticContact CE2-CE2 3.25Å; F270-F274 HydrophobicContact CE2-CE2 3.25Å; F270-F274 HydrophobicContact CE2-CG 4.5Å; F270-F274 HydrophobicContact CE2-CZ 4.2Å; F270-F274 AromaticContact CG-CD2 3.94Å; F270-F274 HydrophobicContact CG-CD2 3.94Å; F270-F274 HydrophobicContact CG-CE2 4.29Å; F270-F274 AromaticContact CZ-CD2 3.6Å; F270-F274 HydrophobicContact CZ-CD2 3.6Å; F270-F274 AromaticContact CZ-CE2 3.85Å; F270-F274 HydrophobicContact CZ-CE2 3.85Å; F270-F274 HydrophobicContact CZ-CG 4.32Å; F270-F274 WeakPolarHBondContact O-CD2 3.35Å; F270-F274 PolarHBondContact O-N 2.88Å; F274-T276 HydrophobicContact CB-CG2 4.42Å; F274-T276 PolarHBondContact O-N 3.05Å |
| 275 | N | 81.4 | Confident | 87.8 | Confident | 146 Ų | 146 | 72.5 Ų | 72.5 | 78% | 0.781 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.9 | -176.9 | -159.4 | 23.8 | 0 | 0 | 0 | 112.7 | S271 | S271-N275 WeakPolarHBondContact O-CA 3.32Å; S271-N275 PolarHBondContact O-N 2.82Å |
| 276 | T | 80.9 | Confident | 88.1 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 44% | 0.436 | 33% | 0.326 | S | S | . | . | trans | -114.7 | 89.6 | -179 | 47 | 0 | 0 | 0 | 0 | 109.7 | S271 F274 E278 | S271-T276 WeakPolarHBondContact CB-O 3.07Å; S271-T276 PolarHBondContact O-N 2.9Å; S271-T276 PolarHBondContact OG-O 2.85Å; F274-T276 HydrophobicContact CB-CG2 4.42Å; F274-T276 PolarHBondContact O-N 3.05Å; T276-E278 PolarHBondContact O-N 2.83Å | ||
| 277 | P | 82 | Confident | 88.3 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | trans | -59.7 | 124.1 | -171.3 | 24 | -33.9 | 0 | 0 | 0 | 111.1 | ||||
| 278 | E | 86.4 | Confident | 88.4 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | trans | -61.1 | 138.3 | 172.8 | -84.9 | 170.9 | -179.6 | 0 | 0 | 111.4 | L262 S268 S271 T276 | L262-E278 HydrophobicContact CD1-CB 4.01Å; L262-E278 PolarHBondContact N-O 2.94Å; S268-E278 WeakPolarHBondContact CB-OE1 3.07Å; S268-E278 PolarHBondContact N-OE2 2.81Å; S268-E278 PolarHBondContact OG-OE1 2.82Å; S271-E278 PolarHBondContact OG-N 3.46Å; T276-E278 PolarHBondContact O-N 2.83Å | ||
| 279 | K | 90.8 | Very high | 88.5 | Confident | 118 Ų | 118 | 58 Ų | 58 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.8 | -177.8 | -63.4 | -178 | -177.2 | 178.4 | 0 | 110.8 | R259 L260 | R259-K279 HydrophobicContact CB-CB 4.38Å; R259-K279 HydrophobicContact CB-CD 4.22Å; L260-K279 CarbonylContact O-C 3.47Å; L260-K279 WeakPolarHBondContact O-CA 3.29Å |
| 280 | V | 94.1 | Very high | 88.5 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.4 | 169.2 | -168.4 | 0 | 0 | 0 | 0 | 108.5 | R259 L260 L262 M282 W298 | R259-V280 WeakPolarHBondContact CA-O 3.19Å; L260-V280 PolarHBondContact N-O 3.07Å; L260-V280 PolarHBondContact O-N 3.44Å; L262-V280 HydrophobicContact CD1-CG2 4.25Å; L262-V280 HydrophobicContact CD2-CG2 3.45Å; L262-V280 VanDerWaalsContact CD2-CG2 3.45Å; L262-V280 HydrophobicContact CG-CG2 3.85Å; V280-M282 HydrophobicContact CB-CG 4.32Å; V280-M282 HydrophobicContact CB-SD 4.31Å; V280-M282 HydrophobicContact CG1-CG 4.06Å; V280-M282 HydrophobicContact CG1-SD 3.49Å; V280-M282 WeakPolarHBondContact CG1-SD 2.97Å; V280-W298 HydrophobicContact CG1-CZ2 4.34Å; V280-W298 HydrophobicContact CG2-CZ2 4.04Å |
| 281 | M | 96.6 | Very high | 88.6 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 116.7 | 173.4 | -68.8 | -177.1 | -62.5 | 0 | 0 | 107.9 | F213 W330 | F213-M281 HydrophobicContact CB-SD 3.68Å; F213-M281 HydrophobicContact CD1-CB 4.12Å; F213-M281 HydrophobicContact CD1-CG 3.72Å; F213-M281 HydrophobicContact CD1-SD 3.51Å; F213-M281 VanDerWaalsContact CD1-SD 3.51Å; F213-M281 HydrophobicContact CD2-CB 3.73Å; F213-M281 HydrophobicContact CD2-CG 4.24Å; F213-M281 HydrophobicContact CD2-SD 4.26Å; F213-M281 HydrophobicContact CE1-CB 4.03Å; F213-M281 HydrophobicContact CE1-CG 3.78Å; F213-M281 HydrophobicContact CE1-SD 4.2Å; F213-M281 HydrophobicContact CE2-CB 3.62Å; F213-M281 HydrophobicContact CE2-CG 4.28Å; F213-M281 HydrophobicContact CG-CB 3.97Å; F213-M281 HydrophobicContact CG-CG 3.95Å; F213-M281 HydrophobicContact CG-SD 3.53Å; F213-M281 VanDerWaalsContact CG-SD 3.53Å; F213-M281 HydrophobicContact CZ-CB 3.78Å; F213-M281 HydrophobicContact CZ-CG 4.06Å; M281-W330 HydrophobicContact CB-CB 3.7Å; M281-W330 HydrophobicContact CB-CG 4.43Å; M281-W330 WeakPolarHBondContact O-CB 3.41Å; M281-W330 PolarHBondContact O-N 3.49Å |
| 282 | M | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.5 | -169.9 | -65.6 | -61.2 | -68 | 0 | 0 | 111.3 | K258 L260 V280 W298 W305 W327 M328 | K258-M282 PolarHBondContact N-O 2.98Å; K258-M282 PolarHBondContact O-N 2.94Å; K258-M282 VanDerWaalsContact O-O 3.1Å; L260-M282 HydrophobicContact CD1-CB 4.41Å; L260-M282 HydrophobicContact CD1-CG 3.69Å; L260-M282 HydrophobicContact CG-CB 4.41Å; L260-M282 HydrophobicContact CG-CG 3.85Å; V280-M282 HydrophobicContact CB-CG 4.32Å; V280-M282 HydrophobicContact CB-SD 4.31Å; V280-M282 HydrophobicContact CG1-CG 4.06Å; V280-M282 HydrophobicContact CG1-SD 3.49Å; V280-M282 WeakPolarHBondContact CG1-SD 2.97Å; M282-W298 HydrophobicContact CE-CB 3.61Å; M282-W298 HydrophobicContact CE-CD2 3.75Å; M282-W298 HydrophobicContact CE-CE3 4.04Å; M282-W298 HydrophobicContact CE-CG 3.57Å; M282-W298 HydrophobicContact SD-CD2 4.13Å; M282-W298 HydrophobicContact SD-CG 4.17Å; M282-W305 HydrophobicContact CE-CH2 4.49Å; M282-W327 HydrophobicContact CB-CE3 3.93Å; M282-W327 HydrophobicContact CB-CZ3 3.96Å; M282-W327 HydrophobicContact CE-CB 4Å; M282-W327 HydrophobicContact CE-CE3 4.35Å; M282-M328 WeakPolarHBondContact CE-O 3.49Å |
| 283 | V | 96.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.5 | 175.8 | -69.5 | 0 | 0 | 0 | 0 | 109 | F213 L216 E256 V257 M328 W330 L333 | F213-V283 HydrophobicContact CE2-CG1 4.41Å; L216-V283 HydrophobicContact CD2-CG1 4.35Å; E256-V283 WeakPolarHBondContact O-CA 3.43Å; V257-V283 HydrophobicContact CG1-CG1 4.46Å; V257-V283 HydrophobicContact CG2-CG1 4.48Å; V283-M328 HydrophobicContact CG2-CG 3.62Å; V283-M328 PolarHBondContact N-O 2.81Å; V283-M328 VanDerWaalsContact N-O 3.1Å; V283-M328 PolarHBondContact O-N 2.8Å; V283-W330 HydrophobicContact CG1-CE3 3.82Å; V283-W330 HydrophobicContact CG1-CZ3 4.33Å; V283-L333 HydrophobicContact CB-CD1 4.28Å; V283-L333 HydrophobicContact CG1-CD1 4.48Å; V283-L333 HydrophobicContact CG2-CB 4.17Å; V283-L333 HydrophobicContact CG2-CD1 3.52Å; V283-L333 HydrophobicContact CG2-CG 4.48Å |
| 284 | R | 94.7 | Very high | 89.7 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.1 | 172.1 | -167.6 | 173.8 | 60.1 | 175.7 | -14.9 | 109.4 | I254 T255 E256 E325 F326 W327 | I254-R284 WeakPolarHBondContact CA-O 3.22Å; T255-R284 PolarHBondContact N-O 2.81Å; T255-R284 PolarHBondContact OG1-NE 2.82Å; E256-R284 HydrophobicContact CB-CB 3.83Å; E256-R284 PolarHBondContact O-N 2.75Å; R284-E325 WeakPolarHBondContact CD-OE1 3.39Å; R284-E325 HydrophobicContact CG-CG 3.77Å; R284-E325 IonicContact CZ-OE1 3.79Å; R284-E325 IonicContact CZ-OE2 3.13Å; R284-E325 IonicContact NE-OE1 3.2Å; R284-E325 PolarHBondContact NE-OE1 2.94Å; R284-E325 IonicContact NE-OE2 3.74Å; R284-E325 VanDerWaalsContact NH1-CD 3.34Å; R284-E325 IonicContact NH1-OE1 3.01Å; R284-E325 PolarHBondContact NH1-OE1 2.97Å; R284-E325 IonicContact NH1-OE2 2.77Å; R284-E325 PolarHBondContact NH1-OE2 3.17Å; R284-E325 IonicContact NH2-OE1 2.73Å; R284-F326 CarbonylContact C-O 3.53Å; R284-F326 WeakPolarHBondContact CA-O 3.32Å; R284-F326 WeakPolarHBondContact CG-O 3.35Å; R284-W327 HydrophobicContact CB-CD2 3.79Å; R284-W327 HydrophobicContact CB-CE3 3.83Å; R284-W327 HydrophobicContact CB-CG 4.45Å; R284-W327 HydrophobicContact CB-CH2 3.96Å; R284-W327 HydrophobicContact CB-CZ2 3.87Å; R284-W327 HydrophobicContact CB-CZ3 3.93Å; R284-W327 HydrophobicContact CG-CD2 4.05Å; R284-W327 HydrophobicContact CG-CG 4.32Å; R284-W327 HydrophobicContact CG-CZ2 4.19Å |
| 285 | L | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 151.7 | 180 | -60.4 | -174.2 | 0 | 0 | 0 | 110.4 | V228 A253 I254 E325 F326 M328 L333 F337 | V228-L285 HydrophobicContact CG2-CD1 3.85Å; V228-L285 HydrophobicContact CG2-CD2 3.71Å; V228-L285 HydrophobicContact CG2-CG 4.46Å; A253-L285 CarbonylContact O-C 3.54Å; A253-L285 WeakPolarHBondContact O-CA 3.33Å; I254-L285 HydrophobicContact CB-CD2 4.22Å; I254-L285 HydrophobicContact CG1-CD2 3.44Å; I254-L285 VanDerWaalsContact CG1-CD2 3.44Å; L285-E325 WeakPolarHBondContact O-CA 3.32Å; L285-F326 HydrophobicContact CB-CD2 4.27Å; L285-F326 HydrophobicContact CB-CE1 4.14Å; L285-F326 HydrophobicContact CB-CE2 3.75Å; L285-F326 HydrophobicContact CB-CZ 3.68Å; L285-F326 HydrophobicContact CD1-CE2 3.78Å; L285-F326 HydrophobicContact CD1-CZ 3.94Å; L285-F326 HydrophobicContact CG-CE2 4.16Å; L285-F326 HydrophobicContact CG-CZ 4.38Å; L285-F326 PolarHBondContact N-O 2.97Å; L285-F326 PolarHBondContact O-N 2.92Å; L285-M328 HydrophobicContact CD1-SD 3.65Å; L285-M328 HydrophobicContact CG-SD 4.49Å; L285-L333 HydrophobicContact CD1-CD1 4.36Å; L285-L333 HydrophobicContact CD2-CD1 4.36Å; L285-F337 HydrophobicContact CD1-CE1 4.4Å; L285-F337 HydrophobicContact CD1-CE2 3.73Å; L285-F337 HydrophobicContact CD1-CZ 3.54Å |
| 286 | Q | 91.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.8 | 170.6 | -179.4 | 72.4 | 48.8 | 0 | 0 | 109.4 | Y252 A253 T255 N323 G324 E325 | Y252-Q286 CarbonylContact C-O 3.58Å; Y252-Q286 VanDerWaalsContact CA-O 3.31Å; Y252-Q286 WeakPolarHBondContact CA-O 3.44Å; A253-Q286 HydrophobicContact CB-CB 4.25Å; A253-Q286 PolarHBondContact N-O 3.03Å; A253-Q286 PolarHBondContact O-N 2.85Å; T255-Q286 HydrophobicContact CG2-CB 3.95Å; Q286-N323 PolarHBondContact NE2-O 3.42Å; Q286-N323 VanDerWaalsContact NE2-O 3.1Å; Q286-G324 CarbonylContact C-O 3.58Å; Q286-G324 WeakPolarHBondContact CA-O 3.45Å; Q286-G324 VanDerWaalsContact NE2-C 3.32Å; Q286-E325 VanDerWaalsContact OE1-CB 3.23Å |
| 287 | N | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -78 | 122.1 | 164.7 | -170.1 | -21.9 | 0 | 0 | 0 | 109.5 | H250 Y252 W289 G290 E291 K292 G324 | H250-N287 PolarHBondContact NE2-OD1 2.78Å; Y252-N287 HydrophobicContact CD1-CB 3.9Å; Y252-N287 HydrophobicContact CE1-CB 3.72Å; N287-W289 PolarHBondContact O-N 2.86Å; N287-W289 VanDerWaalsContact O-N 3.15Å; N287-W289 PolarHBondContact OD1-N 2.94Å; N287-G290 PolarHBondContact O-N 3Å; N287-G290 VanDerWaalsContact O-N 3.16Å; N287-E291 WeakPolarHBondContact CB-O 3.29Å; N287-E291 PolarHBondContact ND2-O 3.26Å; N287-K292 PolarHBondContact ND2-O 3.05Å; N287-G324 PolarHBondContact N-O 3.26Å | ||
| 288 | P | 85.8 | Confident | 92.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8.8 | 177.6 | 27.7 | -36.7 | 0 | 0 | 0 | 114.4 | L72 Q73 C79 V82 S251 G290 | L72-P288 CarbonylContact C-O 3.57Å; L72-P288 VanDerWaalsContact CA-O 3.26Å; L72-P288 WeakPolarHBondContact CA-O 2.92Å; Q73-P288 HydrophobicContact CB-CB 4.45Å; Q73-P288 PolarHBondContact N-O 3.31Å; C79-P288 HydrophobicContact CB-CG 4.19Å; V82-P288 HydrophobicContact CB-CB 3.94Å; V82-P288 HydrophobicContact CG1-CB 3.5Å; V82-P288 VanDerWaalsContact CG1-CB 3.5Å; S251-P288 WeakPolarHBondContact O-CD 3.2Å; S251-P288 WeakPolarHBondContact O-CG 3.49Å; P288-G290 VanDerWaalsContact C-N 3.29Å |
| 289 | W | 86.3 | Confident | 92.5 | Very high | 67 Ų | 67 | 33.1 Ų | 33.1 | 25% | 0.254 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -15.6 | 173.7 | -67.2 | 1 | 0 | 0 | 0 | 113.2 | E239 L247 H250 N287 E291 K292 | E239-W289 HydrophobicContact CB-CH2 3.87Å; E239-W289 HydrophobicContact CB-CZ2 3.95Å; E239-W289 HydrophobicContact CG-CH2 4.23Å; E239-W289 HydrophobicContact CG-CZ2 3.77Å; L247-W289 HydrophobicContact CD1-CD2 4.22Å; L247-W289 HydrophobicContact CD1-CE3 3.67Å; L247-W289 HydrophobicContact CD1-CH2 3.85Å; L247-W289 HydrophobicContact CD1-CZ2 4.36Å; L247-W289 HydrophobicContact CD1-CZ3 3.46Å; L247-W289 VanDerWaalsContact CD1-CZ3 3.46Å; L247-W289 HydrophobicContact CD2-CH2 4.25Å; L247-W289 HydrophobicContact CD2-CZ3 4.04Å; L247-W289 HydrophobicContact CG-CZ3 4.44Å; H250-W289 AromaticContact CE1-CD1 3.72Å; H250-W289 AromaticContact CE1-CE2 3.78Å; H250-W289 AromaticContact CE1-NE1 3.35Å; H250-W289 PolarHBondContact CE1-NE1 2.86Å; H250-W289 VanDerWaalsContact CE1-NE1 3.35Å; H250-W289 AromaticContact NE2-NE1 3.95Å; N287-W289 PolarHBondContact O-N 2.86Å; N287-W289 VanDerWaalsContact O-N 3.15Å; N287-W289 PolarHBondContact OD1-N 2.94Å; W289-E291 HydrophobicContact CB-CG 4.07Å; W289-E291 PolarHBondContact O-N 3.28Å; W289-K292 HydrophobicContact CE3-CG 4.28Å |
| 290 | G | 84.3 | Confident | 92.5 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 73.2 | 14 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N287 P288 N323 G324 | N287-G290 PolarHBondContact O-N 3Å; N287-G290 VanDerWaalsContact O-N 3.16Å; P288-G290 VanDerWaalsContact C-N 3.29Å; G290-N323 VanDerWaalsContact C-C 3.46Å; G290-N323 VanDerWaalsContact CA-O 3.32Å; G290-N323 WeakPolarHBondContact CA-O 3.31Å; G290-N323 CarbonylContact O-C 3.53Å; G290-N323 WeakPolarHBondContact O-CA 3.41Å; G290-G324 PolarHBondContact O-N 2.71Å |
| 291 | E | 86.7 | Confident | 92.2 | Very high | 99 Ų | 99 | 30.6 Ų | 30.6 | 46% | 0.463 | 17% | 0.171 | S | C | . | . | trans | -154.1 | -177.8 | 177.3 | 57.6 | 172.9 | -156.7 | 0 | 0 | 108.8 | N287 W289 E322 | N287-E291 WeakPolarHBondContact CB-O 3.29Å; N287-E291 PolarHBondContact ND2-O 3.26Å; W289-E291 HydrophobicContact CB-CG 4.07Å; W289-E291 PolarHBondContact O-N 3.28Å; E291-E322 VanDerWaalsContact CA-OE1 3.3Å; E291-E322 WeakPolarHBondContact CA-OE1 3.43Å; E291-E322 HydrophobicContact CB-CG 4.24Å | ||
| 292 | K | 87.4 | Confident | 92.1 | Very high | 98 Ų | 98 | 29 Ų | 29 | 43% | 0.426 | 16% | 0.164 | S | C | . | . | trans | 62.5 | 71.4 | 177.6 | -62.7 | -65.6 | -175.4 | -176.1 | 0 | 111.9 | L247 N287 W289 E322 | L247-K292 HydrophobicContact CD1-CB 4.3Å; N287-K292 PolarHBondContact ND2-O 3.05Å; W289-K292 HydrophobicContact CE3-CG 4.28Å; K292-E322 PolarHBondContact N-OE1 2.96Å | ||
| 293 | E | 92 | Very high | 92 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | trans | -95.7 | 161.5 | -178.8 | -61.3 | 174.3 | -167.1 | 0 | 0 | 112.7 | G245 N295 E322 N323 G324 F326 | G245-E293 WeakPolarHBondContact CA-O 3.23Å; E293-N295 PolarHBondContact O-N 3.38Å; E293-E322 WeakPolarHBondContact OE1-CA 3.47Å; E293-N323 PolarHBondContact OE1-N 3.14Å; E293-G324 WeakPolarHBondContact OE1-CA 3.45Å; E293-G324 PolarHBondContact OE1-N 3.28Å; E293-F326 HydrophobicContact CB-CB 4.11Å; E293-F326 HydrophobicContact CB-CD1 3.78Å; E293-F326 HydrophobicContact CB-CG 4.17Å; E293-F326 HydrophobicContact CG-CB 4.42Å; E293-F326 HydrophobicContact CG-CD1 3.9Å | ||
| 294 | W | 95.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | trans | -57 | 132.8 | 168.1 | 169.7 | -113.1 | 0 | 0 | 0 | 110.5 | C244 L246 G296 A297 S299 F326 M328 D332 H336 | C244-W294 HydrophobicContact CB-CE3 3.96Å; C244-W294 HydrophobicContact CB-CH2 4.35Å; C244-W294 HydrophobicContact CB-CZ3 3.48Å; C244-W294 VanDerWaalsContact CB-CZ3 3.48Å; L246-W294 HydrophobicContact CD1-CE3 3.89Å; L246-W294 HydrophobicContact CD1-CZ3 4.16Å; L246-W294 HydrophobicContact CD2-CB 4.24Å; L246-W294 HydrophobicContact CD2-CE3 4.44Å; L246-W294 HydrophobicContact CG-CE3 3.99Å; W294-G296 VanDerWaalsContact CE2-CA 3.42Å; W294-G296 VanDerWaalsContact NE1-C 3.28Å; W294-A297 PolarHBondContact NE1-O 3.44Å; W294-S299 WeakPolarHBondContact O-CB 3.47Å; W294-F326 HydrophobicContact CB-CD2 3.25Å; W294-F326 HydrophobicContact CB-CE2 3.38Å; W294-F326 HydrophobicContact CB-CG 3.92Å; W294-F326 HydrophobicContact CB-CZ 4.16Å; W294-F326 HydrophobicContact CG-CD2 4.23Å; W294-F326 HydrophobicContact CG-CE2 4.4Å; W294-M328 HydrophobicContact CD2-CE 4.3Å; W294-M328 HydrophobicContact CE3-CE 4.38Å; W294-M328 HydrophobicContact CG-CB 4.4Å; W294-D332 HydrophobicContact CH2-CB 4.43Å; W294-D332 HydrophobicContact CZ2-CB 4.14Å; W294-H336 AromaticContact CH2-CE1 3.54Å; W294-H336 AromaticContact CH2-NE2 3.63Å; W294-H336 AromaticContact CZ3-CD2 3.82Å; W294-H336 AromaticContact CZ3-CE1 3.88Å; W294-H336 AromaticContact CZ3-NE2 3.62Å | ||
| 295 | N | 94.7 | Very high | 91.9 | Very high | 96 Ų | 96 | 35.1 Ų | 35.1 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | trans | -114.1 | 12 | -177.8 | 67.7 | 12.1 | 0 | 0 | 0 | 114.2 | E243 C244 E293 | E243-N295 PolarHBondContact O-ND2 3.2Å; C244-N295 VanDerWaalsContact C-CG 3.49Å; C244-N295 WeakPolarHBondContact CA-OD1 3.46Å; C244-N295 PolarHBondContact O-N 2.87Å; C244-N295 PolarHBondContact O-OD1 3.45Å; C244-N295 VanDerWaalsContact O-OD1 3.07Å; E293-N295 PolarHBondContact O-N 3.38Å | ||
| 296 | G | 96.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -97.6 | -153.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W294 W298 S299 | W294-G296 VanDerWaalsContact CE2-CA 3.42Å; W294-G296 VanDerWaalsContact NE1-C 3.28Å; G296-W298 PolarHBondContact O-N 2.95Å; G296-S299 WeakPolarHBondContact O-CB 3.13Å; G296-S299 PolarHBondContact O-N 3.25Å; G296-S299 PolarHBondContact O-OG 2.94Å; G296-S299 VanDerWaalsContact O-OG 3.05Å |
| 297 | A | 95.9 | Very high | 91.9 | Very high | 28 Ų | 28 | 42 Ų | 42 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 133.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W294 S299 E304 | W294-A297 PolarHBondContact NE1-O 3.44Å; A297-S299 PolarHBondContact O-N 3.36Å; A297-E304 HydrophobicContact CB-CG 4.12Å |
| 298 | W | 95.5 | Very high | 92 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 11.5 | -176 | -51.4 | 90.3 | 0 | 0 | 0 | 116.2 | V280 M282 G296 E304 W305 Q307 I308 W327 | V280-W298 HydrophobicContact CG1-CZ2 4.34Å; V280-W298 HydrophobicContact CG2-CZ2 4.04Å; M282-W298 HydrophobicContact CE-CB 3.61Å; M282-W298 HydrophobicContact CE-CD2 3.75Å; M282-W298 HydrophobicContact CE-CE3 4.04Å; M282-W298 HydrophobicContact CE-CG 3.57Å; M282-W298 HydrophobicContact SD-CD2 4.13Å; M282-W298 HydrophobicContact SD-CG 4.17Å; G296-W298 PolarHBondContact O-N 2.95Å; W298-E304 HydrophobicContact CD2-CB 3.65Å; W298-E304 HydrophobicContact CE3-CB 4.02Å; W298-E304 HydrophobicContact CG-CB 4.04Å; W298-E304 HydrophobicContact CH2-CB 4.26Å; W298-E304 VanDerWaalsContact CH2-O 3.28Å; W298-E304 WeakPolarHBondContact CH2-O 3.2Å; W298-E304 HydrophobicContact CZ2-CB 3.92Å; W298-E304 HydrophobicContact CZ3-CB 4.31Å; W298-E304 WeakPolarHBondContact CZ3-O 3.17Å; W298-E304 PolarHBondContact N-OE2 2.92Å; W298-W305 HydrophobicContact CB-CZ2 4.39Å; W298-W305 AromaticContact CE3-CD2 3.88Å; W298-W305 HydrophobicContact CE3-CD2 3.88Å; W298-W305 AromaticContact CE3-CE3 3.56Å; W298-W305 HydrophobicContact CE3-CE3 3.56Å; W298-W305 HydrophobicContact CE3-CH2 4.17Å; W298-W305 HydrophobicContact CE3-CZ2 4.46Å; W298-W305 AromaticContact CE3-CZ3 3.7Å; W298-W305 HydrophobicContact CE3-CZ3 3.7Å; W298-W305 HydrophobicContact CZ3-CD2 4.32Å; W298-W305 AromaticContact CZ3-CE3 3.71Å; W298-W305 HydrophobicContact CZ3-CE3 3.71Å; W298-W305 HydrophobicContact CZ3-CZ3 4.03Å; W298-W305 WeakPolarHBondContact O-CZ2 3.39Å; W298-W305 PolarHBondContact O-NE1 3.2Å; W298-Q307 HydrophobicContact CH2-CB 4.08Å; W298-I308 HydrophobicContact CH2-CG2 3.9Å; W298-I308 HydrophobicContact CZ3-CD1 4.46Å; W298-I308 HydrophobicContact CZ3-CG1 4.43Å; W298-I308 HydrophobicContact CZ3-CG2 4.07Å; W298-W327 CarbonylContact C-O 3.53Å; W298-W327 VanDerWaalsContact O-O 3.14Å |
| 299 | S | 94.4 | Very high | 92.3 | Very high | 14 Ų | 14 | 44 Ų | 44 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -62.5 | 173.1 | 167.1 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | W294 G296 A297 G301 A302 W305 | W294-S299 WeakPolarHBondContact O-CB 3.47Å; G296-S299 WeakPolarHBondContact O-CB 3.13Å; G296-S299 PolarHBondContact O-N 3.25Å; G296-S299 PolarHBondContact O-OG 2.94Å; G296-S299 VanDerWaalsContact O-OG 3.05Å; A297-S299 PolarHBondContact O-N 3.36Å; S299-G301 PolarHBondContact O-N 3.25Å; S299-A302 WeakPolarHBondContact O-CB 3.37Å; S299-A302 PolarHBondContact O-N 3.02Å; S299-W305 PolarHBondContact O-NE1 3.24Å |
| 300 | D | 89.3 | Confident | 92.5 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 127 | 172 | -86.7 | 20.2 | 0 | 0 | 0 | 111.4 | A302 K319 I320 E321 | D300-A302 PolarHBondContact O-N 2.73Å; D300-K319 VanDerWaalsContact OD2-O 3.09Å; D300-I320 HydrophobicContact CB-CG2 4.4Å; D300-I320 WeakPolarHBondContact OD2-CA 3.4Å; D300-E321 PolarHBondContact OD2-N 3.18Å |
| 301 | G | 89.1 | Confident | 92.9 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 55% | 0.546 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 1.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S299 | S299-G301 PolarHBondContact O-N 3.25Š|
| 302 | A | 94.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | trans | -65.4 | 145.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S299 D300 E304 W305 | S299-A302 WeakPolarHBondContact O-CB 3.37Å; S299-A302 PolarHBondContact O-N 3.02Å; D300-A302 PolarHBondContact O-N 2.73Å; A302-E304 WeakPolarHBondContact CB-OE2 3.33Å; A302-E304 PolarHBondContact O-N 3.17Å; A302-W305 PolarHBondContact O-N 3.39Å | ||
| 303 | P | 95 | Very high | 93.4 | Very high | 93 Ų | 93 | 45 Ų | 45 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.3 | -176.6 | 26.3 | -34.9 | 0 | 0 | 0 | 113.8 | W305 N306 | P303-W305 PolarHBondContact O-N 3.31Å; P303-N306 VanDerWaalsContact O-CB 3.31Å; P303-N306 WeakPolarHBondContact O-CB 3.27Å; P303-N306 PolarHBondContact O-N 3.14Å; P303-N306 PolarHBondContact O-ND2 3.44Å; P303-N306 VanDerWaalsContact O-ND2 3.1Å |
| 304 | E | 95.1 | Very high | 93.3 | Very high | 43 Ų | 43 | 53.2 Ų | 53.2 | 20% | 0.201 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61.1 | -25.5 | 178.4 | -64 | 78.5 | -175.2 | 0 | 0 | 112.6 | A297 W298 A302 N306 Q307 | A297-E304 HydrophobicContact CB-CG 4.12Å; W298-E304 HydrophobicContact CD2-CB 3.65Å; W298-E304 HydrophobicContact CE3-CB 4.02Å; W298-E304 HydrophobicContact CG-CB 4.04Å; W298-E304 HydrophobicContact CH2-CB 4.26Å; W298-E304 VanDerWaalsContact CH2-O 3.28Å; W298-E304 WeakPolarHBondContact CH2-O 3.2Å; W298-E304 HydrophobicContact CZ2-CB 3.92Å; W298-E304 HydrophobicContact CZ3-CB 4.31Å; W298-E304 WeakPolarHBondContact CZ3-O 3.17Å; W298-E304 PolarHBondContact N-OE2 2.92Å; A302-E304 WeakPolarHBondContact CB-OE2 3.33Å; A302-E304 PolarHBondContact O-N 3.17Å; E304-N306 PolarHBondContact O-N 2.92Å; E304-N306 VanDerWaalsContact O-N 3.07Å; E304-Q307 WeakPolarHBondContact O-CB 3.24Å; E304-Q307 WeakPolarHBondContact O-CG 3.44Å; E304-Q307 PolarHBondContact O-N 2.7Å |
| 305 | W | 94.5 | Very high | 93.1 | Very high | 18 Ų | 18 | 59 Ų | 59 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -58.1 | -25.5 | 174.1 | -69.3 | 117.3 | 0 | 0 | 0 | 112.8 | L260 M282 W298 S299 A302 P303 Q307 I308 Q313 L316 L318 W327 | L260-W305 HydrophobicContact CD1-CZ3 4.28Å; M282-W305 HydrophobicContact CE-CH2 4.49Å; W298-W305 HydrophobicContact CB-CZ2 4.39Å; W298-W305 AromaticContact CE3-CD2 3.88Å; W298-W305 HydrophobicContact CE3-CD2 3.88Å; W298-W305 AromaticContact CE3-CE3 3.56Å; W298-W305 HydrophobicContact CE3-CE3 3.56Å; W298-W305 HydrophobicContact CE3-CH2 4.17Å; W298-W305 HydrophobicContact CE3-CZ2 4.46Å; W298-W305 AromaticContact CE3-CZ3 3.7Å; W298-W305 HydrophobicContact CE3-CZ3 3.7Å; W298-W305 HydrophobicContact CZ3-CD2 4.32Å; W298-W305 AromaticContact CZ3-CE3 3.71Å; W298-W305 HydrophobicContact CZ3-CE3 3.71Å; W298-W305 HydrophobicContact CZ3-CZ3 4.03Å; W298-W305 WeakPolarHBondContact O-CZ2 3.39Å; W298-W305 PolarHBondContact O-NE1 3.2Å; S299-W305 PolarHBondContact O-NE1 3.24Å; A302-W305 PolarHBondContact O-N 3.39Å; P303-W305 PolarHBondContact O-N 3.31Å; W305-Q307 PolarHBondContact O-N 2.96Å; W305-I308 HydrophobicContact CE3-CD1 3.73Å; W305-I308 HydrophobicContact CE3-CG1 4.38Å; W305-I308 HydrophobicContact CZ3-CD1 3.91Å; W305-I308 WeakPolarHBondContact O-CG1 3.41Å; W305-I308 PolarHBondContact O-N 3.06Å; W305-Q313 PolarHBondContact O-NE2 2.74Å; W305-L316 HydrophobicContact CH2-CD1 4.43Å; W305-L316 HydrophobicContact CZ3-CD1 3.85Å; W305-L318 HydrophobicContact CD2-CD1 3.75Å; W305-L318 HydrophobicContact CE3-CD1 3.52Å; W305-L318 HydrophobicContact CE3-CD2 4.36Å; W305-L318 HydrophobicContact CG-CD1 4.38Å; W305-L318 HydrophobicContact CH2-CD1 4.18Å; W305-L318 HydrophobicContact CH2-CD2 3.47Å; W305-L318 VanDerWaalsContact CH2-CD2 3.47Å; W305-L318 HydrophobicContact CH2-CG 4.48Å; W305-L318 HydrophobicContact CZ2-CD1 4.35Å; W305-L318 HydrophobicContact CZ2-CD2 3.73Å; W305-L318 HydrophobicContact CZ3-CD1 3.77Å; W305-L318 HydrophobicContact CZ3-CD2 3.81Å; W305-L318 HydrophobicContact CZ3-CG 4.41Å; W305-W327 HydrophobicContact CH2-CB 3.65Å; W305-W327 AromaticContact CH2-CD1 3.73Å; W305-W327 HydrophobicContact CH2-CD2 4.22Å; W305-W327 AromaticContact CH2-CG 3.58Å; W305-W327 HydrophobicContact CH2-CG 3.58Å; W305-W327 HydrophobicContact CZ2-CB 3.68Å; W305-W327 AromaticContact CZ2-CD1 3.89Å; W305-W327 AromaticContact CZ2-CG 3.92Å; W305-W327 HydrophobicContact CZ2-CG 3.92Å |
| 306 | N | 93.1 | Very high | 92.9 | Very high | 96 Ų | 96 | 55.2 Ų | 55.2 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -67.8 | -11.4 | 174 | -62.9 | -49.2 | 0 | 0 | 0 | 113.9 | F266 P303 E304 I308 | F266-N306 WeakPolarHBondContact CE2-O 3.42Å; P303-N306 VanDerWaalsContact O-CB 3.31Å; P303-N306 WeakPolarHBondContact O-CB 3.27Å; P303-N306 PolarHBondContact O-N 3.14Å; P303-N306 PolarHBondContact O-ND2 3.44Å; P303-N306 VanDerWaalsContact O-ND2 3.1Å; E304-N306 PolarHBondContact O-N 2.92Å; E304-N306 VanDerWaalsContact O-N 3.07Å; N306-I308 VanDerWaalsContact C-N 3.32Å |
| 307 | Q | 93.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 56.4 Ų | 56.4 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -80.8 | -11 | 178.9 | -54 | 178 | 23.2 | 0 | 0 | 113.5 | L262 D263 F266 W298 E304 W305 | L262-Q307 HydrophobicContact CD2-CB 3.95Å; D263-Q307 WeakPolarHBondContact CB-O 3.41Å; D263-Q307 PolarHBondContact N-O 3.41Å; F266-Q307 HydrophobicContact CB-CB 4.45Å; F266-Q307 HydrophobicContact CD1-CB 4.31Å; F266-Q307 HydrophobicContact CD1-CG 3.78Å; F266-Q307 HydrophobicContact CD2-CB 3.96Å; F266-Q307 HydrophobicContact CD2-CG 4.2Å; F266-Q307 HydrophobicContact CE1-CG 3.79Å; F266-Q307 HydrophobicContact CE2-CB 4.23Å; F266-Q307 HydrophobicContact CE2-CG 4.2Å; F266-Q307 HydrophobicContact CG-CB 3.99Å; F266-Q307 HydrophobicContact CG-CG 3.98Å; F266-Q307 HydrophobicContact CZ-CG 3.99Å; W298-Q307 HydrophobicContact CH2-CB 4.08Å; E304-Q307 WeakPolarHBondContact O-CB 3.24Å; E304-Q307 WeakPolarHBondContact O-CG 3.44Å; E304-Q307 PolarHBondContact O-N 2.7Å; W305-Q307 PolarHBondContact O-N 2.96Å |
| 308 | I | 93.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -115.4 | 158.1 | 175.3 | 63.4 | 170.1 | 0 | 0 | 0 | 111.1 | L260 W298 W305 N306 Q312 Q313 L316 | L260-I308 HydrophobicContact CB-CG2 4.1Å; L260-I308 HydrophobicContact CD1-CD1 3.98Å; L260-I308 HydrophobicContact CD1-CG2 4.49Å; W298-I308 HydrophobicContact CH2-CG2 3.9Å; W298-I308 HydrophobicContact CZ3-CD1 4.46Å; W298-I308 HydrophobicContact CZ3-CG1 4.43Å; W298-I308 HydrophobicContact CZ3-CG2 4.07Å; W305-I308 HydrophobicContact CE3-CD1 3.73Å; W305-I308 HydrophobicContact CE3-CG1 4.38Å; W305-I308 HydrophobicContact CZ3-CD1 3.91Å; W305-I308 WeakPolarHBondContact O-CG1 3.41Å; W305-I308 PolarHBondContact O-N 3.06Å; N306-I308 VanDerWaalsContact C-N 3.32Å; I308-Q312 HydrophobicContact CB-CB 4.46Å; I308-Q312 HydrophobicContact CD1-CB 4.16Å; I308-Q313 HydrophobicContact CD1-CG 3.82Å; I308-Q313 HydrophobicContact CG1-CG 3.87Å; I308-L316 HydrophobicContact CD1-CD1 4.02Å |
| 309 | S | 91.8 | Very high | 90.8 | Very high | 37 Ų | 37 | 62.3 Ų | 62.3 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | trans | -64.5 | 151.6 | 178.5 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | D311 Q312 Q313 | S309-D311 PolarHBondContact O-N 3.34Å; S309-Q312 PolarHBondContact O-N 3.11Å; S309-Q312 VanDerWaalsContact O-N 3.11Å; S309-Q312 WeakPolarHBondContact OG-CG 3.49Å; S309-Q312 PolarHBondContact OG-N 3.25Å; S309-Q312 PolarHBondContact OG-NE2 3.02Å; S309-Q313 PolarHBondContact O-N 3.32Å | ||
| 310 | K | 91 | Very high | 90.1 | Very high | 125 Ų | 125 | 67.9 Ų | 67.9 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -28.7 | 175 | -72.6 | -72.1 | 169.2 | -167.6 | 0 | 112.9 | Q313 R314 | K310-Q313 PolarHBondContact O-N 2.78Å; K310-R314 WeakPolarHBondContact O-CG 3.42Å; K310-R314 PolarHBondContact O-N 3.19Å |
| 311 | D | 92.4 | Very high | 89.7 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.4 | -40 | 175 | -65.6 | -30.3 | 0 | 0 | 0 | 112 | S309 R314 E315 | S309-D311 PolarHBondContact O-N 3.34Å; D311-R314 PolarHBondContact O-N 2.76Å; D311-R314 IonicContact OD1-NH1 2.77Å; D311-E315 WeakPolarHBondContact O-CB 3.09Å; D311-E315 PolarHBondContact O-N 3.22Å |
| 312 | Q | 92.9 | Very high | 89.4 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 15% | 0.15 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 171.8 | -74.7 | 178.9 | 99.7 | 0 | 0 | 111.1 | S261 I308 S309 R314 E315 L316 | S261-Q312 PolarHBondContact O-NE2 3.44Å; S261-Q312 PolarHBondContact O-OE1 3.08Å; I308-Q312 HydrophobicContact CB-CB 4.46Å; I308-Q312 HydrophobicContact CD1-CB 4.16Å; S309-Q312 PolarHBondContact O-N 3.11Å; S309-Q312 VanDerWaalsContact O-N 3.11Å; S309-Q312 WeakPolarHBondContact OG-CG 3.49Å; S309-Q312 PolarHBondContact OG-N 3.25Å; S309-Q312 PolarHBondContact OG-NE2 3.02Å; Q312-R314 VanDerWaalsContact C-N 3.31Å; Q312-R314 PolarHBondContact O-N 2.81Å; Q312-E315 PolarHBondContact O-N 3.11Å; Q312-L316 WeakPolarHBondContact O-CB 3.22Å; Q312-L316 VanDerWaalsContact O-CG 3.22Å; Q312-L316 WeakPolarHBondContact O-CG 3.44Å; Q312-L316 PolarHBondContact O-N 3.18Å |
| 313 | Q | 91.8 | Very high | 88.9 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58 | -42.5 | 174.9 | -66.6 | 179.4 | 19.4 | 0 | 0 | 112 | W305 I308 S309 K310 L316 G317 L318 | W305-Q313 PolarHBondContact O-NE2 2.74Å; I308-Q313 HydrophobicContact CD1-CG 3.82Å; I308-Q313 HydrophobicContact CG1-CG 3.87Å; S309-Q313 PolarHBondContact O-N 3.32Å; K310-Q313 PolarHBondContact O-N 2.78Å; Q313-L316 PolarHBondContact O-N 2.69Å; Q313-G317 PolarHBondContact O-N 2.71Å; Q313-L318 HydrophobicContact CB-CD1 3.86Å; Q313-L318 HydrophobicContact CG-CD1 3.84Å; Q313-L318 PolarHBondContact O-N 3.48Å |
| 314 | R | 90.8 | Very high | 88.5 | Confident | 190 Ų | 190 | 69.9 Ų | 69.9 | 72% | 0.717 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.8 | -42.7 | 175.8 | -73.3 | 171.6 | -177.2 | 167.2 | -3.2 | 112.3 | K310 D311 Q312 L316 G317 | K310-R314 WeakPolarHBondContact O-CG 3.42Å; K310-R314 PolarHBondContact O-N 3.19Å; D311-R314 PolarHBondContact O-N 2.76Å; D311-R314 IonicContact OD1-NH1 2.77Å; Q312-R314 VanDerWaalsContact C-N 3.31Å; Q312-R314 PolarHBondContact O-N 2.81Å; R314-L316 VanDerWaalsContact C-N 3.28Å; R314-L316 PolarHBondContact O-N 3.08Å; R314-G317 PolarHBondContact O-N 2.99Å |
| 315 | E | 90.8 | Very high | 88.3 | Confident | 134 Ų | 134 | 69.1 Ų | 69.1 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.5 | -34.5 | 178.4 | -166.2 | -161.1 | 148.8 | 0 | 0 | 111.9 | K258 D311 Q312 G317 | K258-E315 IonicContact NZ-OE1 3.53Å; K258-E315 PolarHBondContact NZ-OE1 2.9Å; K258-E315 IonicContact NZ-OE2 3.3Å; D311-E315 WeakPolarHBondContact O-CB 3.09Å; D311-E315 PolarHBondContact O-N 3.22Å; Q312-E315 PolarHBondContact O-N 3.11Å; E315-G317 PolarHBondContact O-N 3.45Å |
| 316 | L | 89.5 | Confident | 88.3 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.7 | -20.3 | 172.6 | -71.6 | 176.3 | 0 | 0 | 0 | 112.8 | K258 L260 W305 I308 Q312 Q313 R314 L318 W327 | K258-L316 HydrophobicContact CD-CD2 3.87Å; L260-L316 HydrophobicContact CD1-CD1 3.74Å; L260-L316 HydrophobicContact CD2-CD1 4Å; L260-L316 HydrophobicContact CD2-CD2 4.08Å; L260-L316 HydrophobicContact CD2-CG 4.35Å; W305-L316 HydrophobicContact CH2-CD1 4.43Å; W305-L316 HydrophobicContact CZ3-CD1 3.85Å; I308-L316 HydrophobicContact CD1-CD1 4.02Å; Q312-L316 WeakPolarHBondContact O-CB 3.22Å; Q312-L316 VanDerWaalsContact O-CG 3.22Å; Q312-L316 WeakPolarHBondContact O-CG 3.44Å; Q312-L316 PolarHBondContact O-N 3.18Å; Q313-L316 PolarHBondContact O-N 2.69Å; R314-L316 VanDerWaalsContact C-N 3.28Å; R314-L316 PolarHBondContact O-N 3.08Å; L316-L318 VanDerWaalsContact C-N 3.28Å; L316-L318 HydrophobicContact CB-CD2 3.98Å; L316-L318 HydrophobicContact CB-CG 3.94Å; L316-L318 HydrophobicContact CD1-CD2 4.18Å; L316-L318 HydrophobicContact CD1-CG 4.42Å; L316-L318 PolarHBondContact O-N 3.45Å; L316-W327 HydrophobicContact CD2-CH2 3.66Å; L316-W327 HydrophobicContact CD2-CZ2 3.57Å |
| 317 | G | 85.4 | Confident | 88.4 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 39.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112 | Q313 R314 E315 K319 | Q313-G317 PolarHBondContact O-N 2.71Å; R314-G317 PolarHBondContact O-N 2.99Å; E315-G317 PolarHBondContact O-N 3.45Å; G317-K319 PolarHBondContact O-N 2.83Å; G317-K319 VanDerWaalsContact O-N 3.11Å |
| 318 | L | 81.1 | Confident | 88.6 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 28% | 0.277 | 30% | 0.302 | S | S | . | . | trans | -53.3 | 118.9 | -179.4 | -63.6 | 176.7 | 0 | 0 | 0 | 109.9 | W305 Q313 L316 | W305-L318 HydrophobicContact CD2-CD1 3.75Å; W305-L318 HydrophobicContact CE3-CD1 3.52Å; W305-L318 HydrophobicContact CE3-CD2 4.36Å; W305-L318 HydrophobicContact CG-CD1 4.38Å; W305-L318 HydrophobicContact CH2-CD1 4.18Å; W305-L318 HydrophobicContact CH2-CD2 3.47Å; W305-L318 VanDerWaalsContact CH2-CD2 3.47Å; W305-L318 HydrophobicContact CH2-CG 4.48Å; W305-L318 HydrophobicContact CZ2-CD1 4.35Å; W305-L318 HydrophobicContact CZ2-CD2 3.73Å; W305-L318 HydrophobicContact CZ3-CD1 3.77Å; W305-L318 HydrophobicContact CZ3-CD2 3.81Å; W305-L318 HydrophobicContact CZ3-CG 4.41Å; Q313-L318 HydrophobicContact CB-CD1 3.86Å; Q313-L318 HydrophobicContact CG-CD1 3.84Å; Q313-L318 PolarHBondContact O-N 3.48Å; L316-L318 VanDerWaalsContact C-N 3.28Å; L316-L318 HydrophobicContact CB-CD2 3.98Å; L316-L318 HydrophobicContact CB-CG 3.94Å; L316-L318 HydrophobicContact CD1-CD2 4.18Å; L316-L318 HydrophobicContact CD1-CG 4.42Å; L316-L318 PolarHBondContact O-N 3.45Å | ||
| 319 | K | 77.5 | Confident | 88.7 | Confident | 112 Ų | 112 | 62 Ų | 62 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | trans | -106 | 131.6 | 169.1 | -63.7 | -177.7 | 177.4 | -173.2 | 0 | 106.3 | D300 G317 E321 | D300-K319 VanDerWaalsContact OD2-O 3.09Å; G317-K319 PolarHBondContact O-N 2.83Å; G317-K319 VanDerWaalsContact O-N 3.11Å; K319-E321 HydrophobicContact CB-CG 4.23Å | ||
| 320 | I | 80 | Confident | 89 | Confident | 131 Ų | 131 | 60.3 Ų | 60.3 | 67% | 0.672 | 29% | 0.292 | S | S | * | . | trans | -96.8 | 88.5 | 171.9 | -59 | 175.2 | 0 | 0 | 0 | 105.6 | D300 | D300-I320 HydrophobicContact CB-CG2 4.4Å; D300-I320 WeakPolarHBondContact OD2-CA 3.4Å | ||
| 321 | E | 81.7 | Confident | 89.1 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -151.3 | 129.3 | -172 | -68.3 | 177.3 | -178.2 | 0 | 0 | 109 | D300 K319 N323 | D300-E321 PolarHBondContact OD2-N 3.18Å; K319-E321 HydrophobicContact CB-CG 4.23Å; E321-N323 VanDerWaalsContact C-N 3.31Å; E321-N323 HydrophobicContact CB-CB 4.39Å; E321-N323 PolarHBondContact O-N 3.22Å |
| 322 | E | 82.5 | Confident | 89.3 | Confident | 128 Ų | 128 | 55.8 Ų | 55.8 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | trans | -69.9 | 92 | 170.2 | -174.4 | 81.8 | -146.6 | 0 | 0 | 108.6 | E291 K292 E293 | E291-E322 VanDerWaalsContact CA-OE1 3.3Å; E291-E322 WeakPolarHBondContact CA-OE1 3.43Å; E291-E322 HydrophobicContact CB-CG 4.24Å; K292-E322 PolarHBondContact N-OE1 2.96Å; E293-E322 WeakPolarHBondContact OE1-CA 3.47Å | ||
| 323 | N | 83.1 | Confident | 89.5 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -133 | 0.7 | -174.4 | 70.9 | 24 | 0 | 0 | 0 | 112.7 | K151 Q286 G290 E293 E321 E325 | K151-N323 VanDerWaalsContact NZ-CA 3.29Å; K151-N323 PolarHBondContact NZ-O 3.44Å; Q286-N323 PolarHBondContact NE2-O 3.42Å; Q286-N323 VanDerWaalsContact NE2-O 3.1Å; G290-N323 VanDerWaalsContact C-C 3.46Å; G290-N323 VanDerWaalsContact CA-O 3.32Å; G290-N323 WeakPolarHBondContact CA-O 3.31Å; G290-N323 CarbonylContact O-C 3.53Å; G290-N323 WeakPolarHBondContact O-CA 3.41Å; E293-N323 PolarHBondContact OE1-N 3.14Å; E321-N323 VanDerWaalsContact C-N 3.31Å; E321-N323 HydrophobicContact CB-CB 4.39Å; E321-N323 PolarHBondContact O-N 3.22Å; N323-E325 WeakPolarHBondContact OD1-CA 3.42Å; N323-E325 WeakPolarHBondContact OD1-CB 3.35Å; N323-E325 PolarHBondContact OD1-N 2.84Å |
| 324 | G | 87.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 87.8 | -9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q286 N287 G290 E293 | Q286-G324 CarbonylContact C-O 3.58Å; Q286-G324 WeakPolarHBondContact CA-O 3.45Å; Q286-G324 VanDerWaalsContact NE2-C 3.32Å; N287-G324 PolarHBondContact N-O 3.26Å; G290-G324 PolarHBondContact O-N 2.71Å; E293-G324 WeakPolarHBondContact OE1-CA 3.45Å; E293-G324 PolarHBondContact OE1-N 3.28Å |
| 325 | E | 90.7 | Very high | 89.9 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.7 | 179.2 | -158.5 | 175.5 | -130.1 | 0 | 0 | 110.3 | R90 T255 R284 L285 Q286 N323 | R90-E325 IonicContact NH2-OE1 3.65Å; R90-E325 PolarHBondContact NH2-OE1 3.45Å; R90-E325 IonicContact NH2-OE2 3.69Å; T255-E325 PolarHBondContact OG1-OE1 3.03Å; R284-E325 WeakPolarHBondContact CD-OE1 3.39Å; R284-E325 HydrophobicContact CG-CG 3.77Å; R284-E325 IonicContact CZ-OE1 3.79Å; R284-E325 IonicContact CZ-OE2 3.13Å; R284-E325 IonicContact NE-OE1 3.2Å; R284-E325 PolarHBondContact NE-OE1 2.94Å; R284-E325 IonicContact NE-OE2 3.74Å; R284-E325 VanDerWaalsContact NH1-CD 3.34Å; R284-E325 IonicContact NH1-OE1 3.01Å; R284-E325 PolarHBondContact NH1-OE1 2.97Å; R284-E325 IonicContact NH1-OE2 2.77Å; R284-E325 PolarHBondContact NH1-OE2 3.17Å; R284-E325 IonicContact NH2-OE1 2.73Å; L285-E325 WeakPolarHBondContact O-CA 3.32Å; Q286-E325 VanDerWaalsContact OE1-CB 3.23Å; N323-E325 WeakPolarHBondContact OD1-CA 3.42Å; N323-E325 WeakPolarHBondContact OD1-CB 3.35Å; N323-E325 PolarHBondContact OD1-N 2.84Å |
| 326 | F | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.4 | 179.7 | 59.7 | -91.2 | 0 | 0 | 0 | 112.2 | L246 Y252 R284 L285 E293 W294 M328 | L246-F326 HydrophobicContact CD2-CE2 4.05Å; L246-F326 HydrophobicContact CD2-CZ 3.69Å; Y252-F326 AromaticContact CD1-CE1 3.91Å; Y252-F326 HydrophobicContact CD1-CE1 3.91Å; Y252-F326 AromaticContact CD1-CZ 3.88Å; Y252-F326 HydrophobicContact CD1-CZ 3.88Å; Y252-F326 AromaticContact CE1-CE1 3.91Å; Y252-F326 HydrophobicContact CE1-CE1 3.91Å; Y252-F326 AromaticContact CE1-CZ 3.94Å; Y252-F326 HydrophobicContact CE1-CZ 3.94Å; R284-F326 CarbonylContact C-O 3.53Å; R284-F326 WeakPolarHBondContact CA-O 3.32Å; R284-F326 WeakPolarHBondContact CG-O 3.35Å; L285-F326 HydrophobicContact CB-CD2 4.27Å; L285-F326 HydrophobicContact CB-CE1 4.14Å; L285-F326 HydrophobicContact CB-CE2 3.75Å; L285-F326 HydrophobicContact CB-CZ 3.68Å; L285-F326 HydrophobicContact CD1-CE2 3.78Å; L285-F326 HydrophobicContact CD1-CZ 3.94Å; L285-F326 HydrophobicContact CG-CE2 4.16Å; L285-F326 HydrophobicContact CG-CZ 4.38Å; L285-F326 PolarHBondContact N-O 2.97Å; L285-F326 PolarHBondContact O-N 2.92Å; E293-F326 HydrophobicContact CB-CB 4.11Å; E293-F326 HydrophobicContact CB-CD1 3.78Å; E293-F326 HydrophobicContact CB-CG 4.17Å; E293-F326 HydrophobicContact CG-CB 4.42Å; E293-F326 HydrophobicContact CG-CD1 3.9Å; W294-F326 HydrophobicContact CB-CD2 3.25Å; W294-F326 HydrophobicContact CB-CE2 3.38Å; W294-F326 HydrophobicContact CB-CG 3.92Å; W294-F326 HydrophobicContact CB-CZ 4.16Å; W294-F326 HydrophobicContact CG-CD2 4.23Å; W294-F326 HydrophobicContact CG-CE2 4.4Å; F326-M328 HydrophobicContact CE2-SD 4.32Å |
| 327 | W | 95.5 | Very high | 90.4 | Very high | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 150.9 | 172.8 | -70 | 87.9 | 0 | 0 | 0 | 111.3 | E256 K258 M282 R284 W298 W305 L316 | E256-W327 HydrophobicContact CB-CH2 3.82Å; E256-W327 HydrophobicContact CB-CZ2 4.4Å; E256-W327 HydrophobicContact CB-CZ3 4.42Å; E256-W327 HydrophobicContact CG-CH2 3.5Å; E256-W327 HydrophobicContact CG-CZ2 4.3Å; E256-W327 HydrophobicContact CG-CZ3 4.26Å; K258-W327 HydrophobicContact CB-CH2 4.43Å; K258-W327 HydrophobicContact CB-CZ3 4.42Å; M282-W327 HydrophobicContact CB-CE3 3.93Å; M282-W327 HydrophobicContact CB-CZ3 3.96Å; M282-W327 HydrophobicContact CE-CB 4Å; M282-W327 HydrophobicContact CE-CE3 4.35Å; R284-W327 HydrophobicContact CB-CD2 3.79Å; R284-W327 HydrophobicContact CB-CE3 3.83Å; R284-W327 HydrophobicContact CB-CG 4.45Å; R284-W327 HydrophobicContact CB-CH2 3.96Å; R284-W327 HydrophobicContact CB-CZ2 3.87Å; R284-W327 HydrophobicContact CB-CZ3 3.93Å; R284-W327 HydrophobicContact CG-CD2 4.05Å; R284-W327 HydrophobicContact CG-CG 4.32Å; R284-W327 HydrophobicContact CG-CZ2 4.19Å; W298-W327 CarbonylContact C-O 3.53Å; W298-W327 VanDerWaalsContact O-O 3.14Å; W305-W327 HydrophobicContact CH2-CB 3.65Å; W305-W327 AromaticContact CH2-CD1 3.73Å; W305-W327 HydrophobicContact CH2-CD2 4.22Å; W305-W327 AromaticContact CH2-CG 3.58Å; W305-W327 HydrophobicContact CH2-CG 3.58Å; W305-W327 HydrophobicContact CZ2-CB 3.68Å; W305-W327 AromaticContact CZ2-CD1 3.89Å; W305-W327 AromaticContact CZ2-CG 3.92Å; W305-W327 HydrophobicContact CZ2-CG 3.92Å; L316-W327 HydrophobicContact CD2-CH2 3.66Å; L316-W327 HydrophobicContact CD2-CZ2 3.57Å |
| 328 | M | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 162.5 | 167.6 | 67.6 | -174.4 | -46.5 | 0 | 0 | 110.5 | M282 V283 L285 W294 F326 D332 L333 F337 | M282-M328 WeakPolarHBondContact CE-O 3.49Å; V283-M328 HydrophobicContact CG2-CG 3.62Å; V283-M328 PolarHBondContact N-O 2.81Å; V283-M328 VanDerWaalsContact N-O 3.1Å; V283-M328 PolarHBondContact O-N 2.8Å; L285-M328 HydrophobicContact CD1-SD 3.65Å; L285-M328 HydrophobicContact CG-SD 4.49Å; W294-M328 HydrophobicContact CD2-CE 4.3Å; W294-M328 HydrophobicContact CE3-CE 4.38Å; W294-M328 HydrophobicContact CG-CB 4.4Å; F326-M328 HydrophobicContact CE2-SD 4.32Å; M328-D332 HydrophobicContact CE-CB 3.58Å; M328-L333 HydrophobicContact CE-CB 4.21Å; M328-L333 HydrophobicContact CG-CB 4.36Å; M328-L333 HydrophobicContact SD-CB 3.92Å; M328-L333 HydrophobicContact SD-CD1 4.4Å; M328-L333 HydrophobicContact SD-CG 4.35Å; M328-F337 HydrophobicContact CE-CE2 4.12Å; M328-F337 HydrophobicContact SD-CD2 4.35Å; M328-F337 HydrophobicContact SD-CE2 3.69Å |
| 329 | S | 96.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 150.9 | 172.3 | 83.4 | 0 | 0 | 0 | 0 | 110.6 | E331 D332 L333 | S329-E331 PolarHBondContact O-N 3.15Å; S329-E331 PolarHBondContact OG-N 2.96Å; S329-D332 WeakPolarHBondContact CB-OD2 3.25Å; S329-D332 PolarHBondContact O-N 2.06Å; S329-D332 WeakPolarHBondContact OG-CB 3.4Å; S329-D332 PolarHBondContact OG-N 2.96Å; S329-D332 PolarHBondContact OG-OD2 3.02Å; S329-L333 PolarHBondContact O-N 3.01Å |
| 330 | W | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -30.6 | 173.6 | 178 | -114.4 | 0 | 0 | 0 | 112.2 | R209 L212 F213 L216 M281 V283 L333 C334 | R209-W330 PolarHBondContact O-NE1 3.28Å; L212-W330 HydrophobicContact CB-CZ2 4.24Å; L212-W330 HydrophobicContact CD2-CH2 4.24Å; L212-W330 HydrophobicContact CD2-CZ2 3.7Å; L212-W330 HydrophobicContact CG-CH2 4.26Å; L212-W330 HydrophobicContact CG-CZ2 3.67Å; F213-W330 HydrophobicContact CB-CD2 4.28Å; F213-W330 HydrophobicContact CB-CG 4.14Å; F213-W330 HydrophobicContact CD2-CB 3.83Å; F213-W330 AromaticContact CD2-CD2 3.76Å; F213-W330 HydrophobicContact CD2-CD2 3.76Å; F213-W330 HydrophobicContact CD2-CE3 4.17Å; F213-W330 AromaticContact CD2-CG 3.58Å; F213-W330 HydrophobicContact CD2-CG 3.58Å; F213-W330 HydrophobicContact CE2-CB 4.27Å; F213-W330 HydrophobicContact CE2-CG 4.46Å; F213-W330 HydrophobicContact CG-CG 4.25Å; L216-W330 HydrophobicContact CD2-CE3 4.18Å; L216-W330 HydrophobicContact CD2-CH2 3.87Å; L216-W330 HydrophobicContact CD2-CZ3 3.46Å; L216-W330 VanDerWaalsContact CD2-CZ3 3.46Å; M281-W330 HydrophobicContact CB-CB 3.7Å; M281-W330 HydrophobicContact CB-CG 4.43Å; M281-W330 WeakPolarHBondContact O-CB 3.41Å; M281-W330 PolarHBondContact O-N 3.49Å; V283-W330 HydrophobicContact CG1-CE3 3.82Å; V283-W330 HydrophobicContact CG1-CZ3 4.33Å; W330-L333 HydrophobicContact CE3-CB 4.29Å; W330-L333 HydrophobicContact CE3-CD1 4.34Å; W330-L333 HydrophobicContact CE3-CD2 4.05Å; W330-L333 HydrophobicContact CE3-CG 4.45Å; W330-L333 HydrophobicContact CH2-CD2 4.03Å; W330-L333 HydrophobicContact CZ3-CD1 4.11Å; W330-L333 HydrophobicContact CZ3-CD2 3.52Å; W330-L333 HydrophobicContact CZ3-CG 4.28Å; W330-L333 PolarHBondContact O-N 3.48Å; W330-C334 VanDerWaalsContact CZ2-SG 3.58Å; W330-C334 PolarHBondContact O-N 3.5Å; W330-C334 PolarHBondContact O-SG 2.87Å |
| 331 | E | 94.9 | Very high | 92.8 | Very high | 104 Ų | 104 | 27.5 Ų | 27.5 | 49% | 0.486 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.7 | -47.8 | 175.3 | 175.9 | 159.4 | -141.8 | 0 | 0 | 111.4 | R209 S329 L333 C334 S335 | R209-E331 IonicContact CZ-OE1 2.85Å; R209-E331 VanDerWaalsContact CZ-OE1 3.3Å; R209-E331 IonicContact NH1-OE1 3.92Å; R209-E331 IonicContact NH2-OE1 2.73Å; R209-E331 PolarHBondContact NH2-OE1 3.01Å; S329-E331 PolarHBondContact O-N 3.15Å; S329-E331 PolarHBondContact OG-N 2.96Å; E331-L333 VanDerWaalsContact C-N 3.29Å; E331-L333 PolarHBondContact O-N 3.39Å; E331-C334 PolarHBondContact O-N 2.89Å; E331-S335 WeakPolarHBondContact O-CB 3.26Å; E331-S335 PolarHBondContact O-N 3.43Å |
| 332 | D | 96.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 22.9 Ų | 22.9 | 19% | 0.193 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 175 | -66.4 | -49.6 | 0 | 0 | 0 | 111.1 | W294 M328 S329 C334 S335 H336 | W294-D332 HydrophobicContact CH2-CB 4.43Å; W294-D332 HydrophobicContact CZ2-CB 4.14Å; M328-D332 HydrophobicContact CE-CB 3.58Å; S329-D332 WeakPolarHBondContact CB-OD2 3.25Å; S329-D332 PolarHBondContact O-N 2.06Å; S329-D332 WeakPolarHBondContact OG-CB 3.4Å; S329-D332 PolarHBondContact OG-N 2.96Å; S329-D332 PolarHBondContact OG-OD2 3.02Å; D332-C334 PolarHBondContact O-N 2.78Å; D332-S335 WeakPolarHBondContact O-CB 3.35Å; D332-S335 PolarHBondContact O-N 3.42Å; D332-S335 VanDerWaalsContact O-N 3.12Å; D332-H336 PolarHBondContact O-N 2.84Å; D332-H336 PolarHBondContact O-ND1 2.87Å |
| 333 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.2 | -48.7 | 176.7 | -173.3 | 153.7 | 0 | 0 | 0 | 110.6 | L197 V228 V283 L285 M328 S329 W330 E331 S335 H336 F337 V340 | L197-L333 HydrophobicContact CD1-CD2 3.61Å; V228-L333 HydrophobicContact CG1-CD1 4.27Å; V283-L333 HydrophobicContact CB-CD1 4.28Å; V283-L333 HydrophobicContact CG1-CD1 4.48Å; V283-L333 HydrophobicContact CG2-CB 4.17Å; V283-L333 HydrophobicContact CG2-CD1 3.52Å; V283-L333 HydrophobicContact CG2-CG 4.48Å; L285-L333 HydrophobicContact CD1-CD1 4.36Å; L285-L333 HydrophobicContact CD2-CD1 4.36Å; M328-L333 HydrophobicContact CE-CB 4.21Å; M328-L333 HydrophobicContact CG-CB 4.36Å; M328-L333 HydrophobicContact SD-CB 3.92Å; M328-L333 HydrophobicContact SD-CD1 4.4Å; M328-L333 HydrophobicContact SD-CG 4.35Å; S329-L333 PolarHBondContact O-N 3.01Å; W330-L333 HydrophobicContact CE3-CB 4.29Å; W330-L333 HydrophobicContact CE3-CD1 4.34Å; W330-L333 HydrophobicContact CE3-CD2 4.05Å; W330-L333 HydrophobicContact CE3-CG 4.45Å; W330-L333 HydrophobicContact CH2-CD2 4.03Å; W330-L333 HydrophobicContact CZ3-CD1 4.11Å; W330-L333 HydrophobicContact CZ3-CD2 3.52Å; W330-L333 HydrophobicContact CZ3-CG 4.28Å; W330-L333 PolarHBondContact O-N 3.48Å; E331-L333 VanDerWaalsContact C-N 3.29Å; E331-L333 PolarHBondContact O-N 3.39Å; L333-S335 PolarHBondContact O-N 2.79Å; L333-H336 PolarHBondContact O-N 2.87Å; L333-F337 HydrophobicContact CB-CD2 4.4Å; L333-F337 HydrophobicContact CD2-CB 4.21Å; L333-F337 HydrophobicContact CG-CB 4.35Å; L333-F337 HydrophobicContact CG-CD2 3.76Å; L333-F337 HydrophobicContact CG-CE2 4.42Å; L333-F337 HydrophobicContact CG-CG 4.25Å; L333-F337 WeakPolarHBondContact O-CB 3.5Å; L333-F337 PolarHBondContact O-N 3.04Å; L333-V340 HydrophobicContact CD2-CG2 4.47Å |
| 334 | C | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.5 | -27.2 | 176.9 | -68.9 | 0 | 0 | 0 | 0 | 113.2 | W330 E331 D332 | W330-C334 VanDerWaalsContact CZ2-SG 3.58Å; W330-C334 PolarHBondContact O-N 3.5Å; W330-C334 PolarHBondContact O-SG 2.87Å; E331-C334 PolarHBondContact O-N 2.89Å; D332-C334 PolarHBondContact O-N 2.78Å |
| 335 | S | 94.5 | Very high | 93.9 | Very high | 37 Ų | 37 | 20.6 Ų | 20.6 | 26% | 0.259 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -79.8 | -35.5 | 180 | -174.6 | 0 | 0 | 0 | 0 | 113.4 | K199 E331 D332 L333 | K199-S335 WeakPolarHBondContact CE-O 3.38Å; K199-S335 PolarHBondContact NZ-O 2.81Å; E331-S335 WeakPolarHBondContact O-CB 3.26Å; E331-S335 PolarHBondContact O-N 3.43Å; D332-S335 WeakPolarHBondContact O-CB 3.35Å; D332-S335 PolarHBondContact O-N 3.42Å; D332-S335 VanDerWaalsContact O-N 3.12Å; L333-S335 PolarHBondContact O-N 2.79Å |
| 336 | H | 95.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 21 Ų | 21 | 24% | 0.236 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -100.8 | -42.1 | -172.3 | -65.3 | 75.4 | 0 | 0 | 0 | 113.1 | L246 W294 D332 L333 | L246-H336 HydrophobicContact CD1-CB 3.88Å; W294-H336 AromaticContact CH2-CE1 3.54Å; W294-H336 AromaticContact CH2-NE2 3.63Å; W294-H336 AromaticContact CZ3-CD2 3.82Å; W294-H336 AromaticContact CZ3-CE1 3.88Å; W294-H336 AromaticContact CZ3-NE2 3.62Å; D332-H336 PolarHBondContact O-N 2.84Å; D332-H336 PolarHBondContact O-ND1 2.87Å; L333-H336 PolarHBondContact O-N 2.87Å |
| 337 | F | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -83.5 | 153.5 | -176.3 | -71.2 | -93.2 | 0 | 0 | 0 | 112.3 | L197 V228 I230 L246 Y252 L285 M328 L333 | L197-F337 HydrophobicContact CD1-CB 3.9Å; V228-F337 HydrophobicContact CB-CD1 3.7Å; V228-F337 HydrophobicContact CB-CE1 4.08Å; V228-F337 HydrophobicContact CB-CG 4.24Å; V228-F337 HydrophobicContact CG2-CD1 3.6Å; V228-F337 HydrophobicContact CG2-CE1 3.47Å; V228-F337 VanDerWaalsContact CG2-CE1 3.47Å; V228-F337 HydrophobicContact CG2-CG 4.23Å; V228-F337 HydrophobicContact CG2-CZ 3.97Å; I230-F337 HydrophobicContact CD1-CE1 4.46Å; I230-F337 HydrophobicContact CG1-CD1 3.74Å; I230-F337 HydrophobicContact CG1-CE1 3.99Å; I230-F337 HydrophobicContact CG1-CG 4.22Å; L246-F337 HydrophobicContact CD1-CD2 4.46Å; L246-F337 HydrophobicContact CD1-CE2 3.69Å; L246-F337 HydrophobicContact CD1-CZ 3.98Å; L246-F337 HydrophobicContact CD2-CE2 4.36Å; L246-F337 HydrophobicContact CD2-CZ 4.03Å; Y252-F337 AromaticContact CD2-CE1 3.67Å; Y252-F337 HydrophobicContact CD2-CE1 3.67Å; Y252-F337 HydrophobicContact CD2-CZ 4.11Å; Y252-F337 HydrophobicContact CE2-CE1 4.06Å; Y252-F337 HydrophobicContact CE2-CZ 4.36Å; Y252-F337 HydrophobicContact CG-CE1 4.35Å; Y252-F337 HydrophobicContact CG-CZ 4.47Å; L285-F337 HydrophobicContact CD1-CE1 4.4Å; L285-F337 HydrophobicContact CD1-CE2 3.73Å; L285-F337 HydrophobicContact CD1-CZ 3.54Å; M328-F337 HydrophobicContact CE-CE2 4.12Å; M328-F337 HydrophobicContact SD-CD2 4.35Å; M328-F337 HydrophobicContact SD-CE2 3.69Å; L333-F337 HydrophobicContact CB-CD2 4.4Å; L333-F337 HydrophobicContact CD2-CB 4.21Å; L333-F337 HydrophobicContact CG-CB 4.35Å; L333-F337 HydrophobicContact CG-CD2 3.76Å; L333-F337 HydrophobicContact CG-CE2 4.42Å; L333-F337 HydrophobicContact CG-CG 4.25Å; L333-F337 WeakPolarHBondContact O-CB 3.5Å; L333-F337 PolarHBondContact O-N 3.04Å | ||
| 338 | T | 94.8 | Very high | 90.8 | Very high | 32 Ų | 32 | 25 Ų | 25 | 20% | 0.196 | 13% | 0.134 | C | C | . | . | trans | -108.4 | -26.9 | -177.3 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | L197 S229 I230 N231 | L197-T338 PolarHBondContact N-O 3Å; S229-T338 PolarHBondContact O-N 3.35Å; S229-T338 PolarHBondContact O-OG1 3.35Å; I230-T338 WeakPolarHBondContact CA-OG1 3.35Å; I230-T338 HydrophobicContact CG2-CG2 4.41Å; N231-T338 HydrophobicContact CB-CG2 4.34Å; N231-T338 PolarHBondContact N-OG1 3.15Å; N231-T338 PolarHBondContact ND2-OG1 3.32Å; N231-T338 PolarHBondContact OD1-OG1 3.41Å | ||
| 339 | T | 93.7 | Very high | 88.8 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 136.7 | -171.2 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | T194 I195 V228 S229 N231 | T194-T339 HydrophobicContact CG2-CG2 3.42Å; T194-T339 VanDerWaalsContact CG2-CG2 3.42Å; I195-T339 CarbonylContact O-C 3.57Å; I195-T339 WeakPolarHBondContact O-CA 3.39Å; V228-T339 VanDerWaalsContact CA-O 3.29Å; V228-T339 WeakPolarHBondContact CA-O 3.37Å; S229-T339 PolarHBondContact N-O 3.11Å; S229-T339 PolarHBondContact O-N 3.33Å; S229-T339 VanDerWaalsContact O-N 3.15Å; N231-T339 PolarHBondContact OD1-OG1 2.83Å |
| 340 | V | 94 | Very high | 86.8 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.8 | 166.3 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | I195 L197 L216 V228 I254 L333 L342 | I195-V340 HydrophobicContact CB-CB 4.26Å; I195-V340 PolarHBondContact N-O 2.83Å; I195-V340 PolarHBondContact O-N 2.91Å; L197-V340 HydrophobicContact CD1-CG2 3.71Å; L197-V340 HydrophobicContact CD2-CG2 3.97Å; L197-V340 HydrophobicContact CG-CG2 3.92Å; L216-V340 HydrophobicContact CD1-CG1 4.02Å; V228-V340 HydrophobicContact CG1-CB 4.15Å; V228-V340 HydrophobicContact CG1-CG1 3.98Å; V228-V340 HydrophobicContact CG1-CG2 3.86Å; I254-V340 HydrophobicContact CD1-CG1 4.01Å; L333-V340 HydrophobicContact CD2-CG2 4.47Å; V340-L342 HydrophobicContact CB-CD1 4.46Å; V340-L342 HydrophobicContact CG1-CD1 3.9Å; V340-L342 HydrophobicContact CG1-CG 4.33Å |
| 341 | D | 92 | Very high | 85 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.4 | 171.7 | -70.8 | -64.2 | 0 | 0 | 0 | 109.8 | L180 L184 T194 M226 A227 | L180-D341 HydrophobicContact CD2-CB 3.75Å; L180-D341 HydrophobicContact CG-CB 4.07Å; L184-D341 HydrophobicContact CD1-CB 4.44Å; T194-D341 VanDerWaalsContact CB-OD1 3.32Å; T194-D341 WeakPolarHBondContact CB-OD1 3.4Å; T194-D341 VanDerWaalsContact CG2-OD1 3.31Å; T194-D341 WeakPolarHBondContact CG2-OD1 3.41Å; T194-D341 PolarHBondContact OG1-OD1 2.88Å; M226-D341 VanDerWaalsContact CA-O 3.29Å; M226-D341 WeakPolarHBondContact CA-O 3.4Å; A227-D341 PolarHBondContact N-O 3.03Å; A227-D341 PolarHBondContact O-N 2.84Å |
| 342 | L | 91.8 | Very high | 83.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148 | 175.9 | -52.4 | 87.4 | 0 | 0 | 0 | 108.7 | P192 F193 I195 L216 A219 L225 M226 V340 Y344 | P192-L342 CarbonylContact C-O 3.53Å; P192-L342 VanDerWaalsContact CA-O 3.31Å; P192-L342 WeakPolarHBondContact CA-O 3.33Å; F193-L342 HydrophobicContact CB-CB 4.43Å; F193-L342 HydrophobicContact CD1-CD1 4.42Å; F193-L342 PolarHBondContact N-O 3.39Å; F193-L342 PolarHBondContact O-N 3.23Å; I195-L342 HydrophobicContact CD1-CD1 3.58Å; I195-L342 HydrophobicContact CG1-CD1 3.89Å; L216-L342 HydrophobicContact CD1-CD2 3.74Å; L216-L342 HydrophobicContact CD1-CG 4.26Å; A219-L342 HydrophobicContact CB-CD2 3.89Å; L225-L342 CarbonylContact O-C 3.53Å; L225-L342 WeakPolarHBondContact O-CA 3.48Å; M226-L342 HydrophobicContact CE-CD2 4.03Å; M226-L342 HydrophobicContact CG-CB 4.37Å; M226-L342 HydrophobicContact CG-CD2 4.34Å; M226-L342 HydrophobicContact CG-CG 4.12Å; M226-L342 HydrophobicContact SD-CD2 4.36Å; V340-L342 HydrophobicContact CB-CD1 4.46Å; V340-L342 HydrophobicContact CG1-CD1 3.9Å; V340-L342 HydrophobicContact CG1-CG 4.33Å; L342-Y344 HydrophobicContact CB-CE2 4.21Å; L342-Y344 HydrophobicContact CD2-CE2 4.4Å |
| 343 | C | 92.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 107.3 | 170.9 | -162.9 | 0 | 0 | 0 | 0 | 110.4 | L184 T188 V191 A224 L225 | L184-C343 HydrophobicContact CB-CB 3.6Å; L184-C343 HydrophobicContact CD1-CB 3.99Å; L184-C343 HydrophobicContact CG-CB 4.33Å; T188-C343 PolarHBondContact OG1-SG 3.1Å; V191-C343 WeakPolarHBondContact O-CA 3.42Å; A224-C343 VanDerWaalsContact CA-O 3.27Å; A224-C343 WeakPolarHBondContact CA-O 3.29Å; A224-C343 WeakPolarHBondContact CB-O 3.33Å; L225-C343 PolarHBondContact N-O 3.29Å; L225-C343 PolarHBondContact O-N 2.92Å |
| 344 | Y | 88.2 | Confident | 79.4 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.5 | -177.7 | -73.3 | -87.5 | 0 | 0 | 0 | 111.3 | G190 V191 F193 A219 A224 L342 Y346 | G190-Y344 CarbonylContact C-O 3.59Å; G190-Y344 WeakPolarHBondContact CA-O 3.22Å; V191-Y344 PolarHBondContact N-O 3.43Å; V191-Y344 PolarHBondContact O-N 3.3Å; F193-Y344 HydrophobicContact CB-CD2 4.26Å; F193-Y344 HydrophobicContact CB-CE2 4.05Å; F193-Y344 HydrophobicContact CG-CE2 4.41Å; A219-Y344 HydrophobicContact CB-CD1 4.47Å; A219-Y344 HydrophobicContact CB-CE1 3.49Å; A219-Y344 VanDerWaalsContact CB-CE1 3.49Å; A219-Y344 WeakPolarHBondContact CB-OH 3.34Å; A224-Y344 HydrophobicContact CB-CD1 4.32Å; L342-Y344 HydrophobicContact CB-CE2 4.21Å; L342-Y344 HydrophobicContact CD2-CE2 4.4Å; Y344-Y346 HydrophobicContact CD1-CE1 4.45Å; Y344-Y346 HydrophobicContact CG-CE1 4.34Å |
| 345 | Q | 83.5 | Confident | 77.8 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | trans | -101.8 | 92.9 | 165.8 | -70.2 | 177.9 | 80.1 | 0 | 0 | 109.5 | K223 A347 | K223-Q345 PolarHBondContact O-NE2 2.94Å; K223-Q345 VanDerWaalsContact O-NE2 3.15Å; Q345-A347 PolarHBondContact O-N 3.23Å | ||
| 346 | Y | 79.1 | Confident | 76.9 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | trans | -66.6 | 130 | 178.2 | -61.9 | -70.3 | 0 | 0 | 0 | 111.3 | V191 Y344 T348 Y357 I407 Y493 | V191-Y346 HydrophobicContact CB-CD2 4.5Å; V191-Y346 HydrophobicContact CB-CE2 3.83Å; V191-Y346 HydrophobicContact CG1-CE2 4.47Å; V191-Y346 HydrophobicContact CG2-CD2 4.06Å; V191-Y346 HydrophobicContact CG2-CE2 3.78Å; Y344-Y346 HydrophobicContact CD1-CE1 4.45Å; Y344-Y346 HydrophobicContact CG-CE1 4.34Å; Y346-T348 PolarHBondContact O-N 2.84Å; Y346-Y357 AromaticContact CD1-CD2 3.86Å; Y346-Y357 HydrophobicContact CD1-CD2 3.86Å; Y346-Y357 HydrophobicContact CD1-CE1 4.47Å; Y346-Y357 AromaticContact CD1-CE2 3.76Å; Y346-Y357 HydrophobicContact CD1-CE2 3.76Å; Y346-Y357 HydrophobicContact CD1-CG 4.25Å; Y346-Y357 HydrophobicContact CE1-CE2 4.4Å; Y346-Y357 HydrophobicContact CG-CD2 4.39Å; Y346-I407 HydrophobicContact CD1-CD1 4.19Å; Y346-I407 HydrophobicContact CE1-CD1 3.47Å; Y346-I407 VanDerWaalsContact CE1-CD1 3.47Å; Y346-I407 HydrophobicContact CE2-CD1 4.17Å; Y346-I407 HydrophobicContact CE2-CG2 4.1Å; Y346-I407 VanDerWaalsContact CZ-CD1 3.46Å; Y346-I407 WeakPolarHBondContact OH-CD1 3.38Å; Y346-Y493 AromaticContact CD2-CD1 3.8Å; Y346-Y493 HydrophobicContact CD2-CD1 3.8Å; Y346-Y493 HydrophobicContact CD2-CD2 4.02Å; Y346-Y493 AromaticContact CD2-CE1 3.98Å; Y346-Y493 HydrophobicContact CD2-CE1 3.98Å; Y346-Y493 HydrophobicContact CD2-CE2 4.19Å; Y346-Y493 AromaticContact CD2-CG 3.83Å; Y346-Y493 HydrophobicContact CD2-CG 3.83Å; Y346-Y493 HydrophobicContact CE2-CD2 4.28Å; Y346-Y493 HydrophobicContact CE2-CG 4.39Å; Y346-Y493 HydrophobicContact CG-CD1 4.01Å; Y346-Y493 HydrophobicContact CG-CE1 4.43Å; Y346-Y493 HydrophobicContact CG-CG 4.26Å | ||
| 347 | A | 72.9 | Confident | 76.5 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | trans | -74.3 | 108.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q345 S352 Y357 | Q345-A347 PolarHBondContact O-N 3.23Å; A347-S352 WeakPolarHBondContact CB-OG 3.16Å; A347-Y357 PolarHBondContact O-N 3.15Å; A347-Y357 VanDerWaalsContact O-N 3.14Å | ||
| 348 | T | 63.4 | Low | 76.3 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | trans | -105.2 | -8.7 | 178.8 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | Y346 E359 | Y346-T348 PolarHBondContact O-N 2.84Å; T348-E359 HydrophobicContact CG2-CB 3.74Å | ||
| 349 | S | 57 | Low | 76.2 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | trans | -67.6 | 137.6 | -178.1 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | F351 S352 | S349-F351 PolarHBondContact O-N 3.07Å; S349-F351 VanDerWaalsContact O-N 3.14Å; S349-F351 PolarHBondContact OG-N 2.84Å; S349-S352 WeakPolarHBondContact O-CB 3.45Å; S349-S352 PolarHBondContact O-N 3.28Å | ||
| 350 | L | 54.3 | Low | 76.2 | Confident | 132 Ų | 132 | 64.7 Ų | 64.7 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.8 | 172.2 | -69.3 | 171.5 | 0 | 0 | 0 | 113.5 | R356 | L350-R356 VanDerWaalsContact CD2-NH2 3.34Š|
| 351 | F | 58.9 | Low | 76.3 | Confident | 190 Ų | 190 | 68.3 Ų | 68.3 | 83% | 0.833 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 11.8 | -179.6 | -54.6 | -76.1 | 0 | 0 | 0 | 113.6 | S349 | S349-F351 PolarHBondContact O-N 3.07Å; S349-F351 VanDerWaalsContact O-N 3.14Å; S349-F351 PolarHBondContact OG-N 2.84Å |
| 352 | S | 54.6 | Low | 76.6 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | trans | -73.4 | 136.3 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | A347 S349 N354 | A347-S352 WeakPolarHBondContact CB-OG 3.16Å; S349-S352 WeakPolarHBondContact O-CB 3.45Å; S349-S352 PolarHBondContact O-N 3.28Å; S352-N354 PolarHBondContact OG-N 3.2Å; S352-N354 PolarHBondContact OG-O 3.06Å | ||
| 353 | L | 56.6 | Low | 76.8 | Confident | 179 Ų | 179 | 75.5 Ų | 75.5 | 94% | 0.937 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -82.1 | -14 | 171.6 | -64.7 | 172.1 | 0 | 0 | 0 | 113.1 | ||
| 354 | N | 58.1 | Low | 77.1 | Confident | 102 Ų | 102 | 76 Ų | 76 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -91.7 | 164.4 | 179.6 | -67.7 | -6.5 | 0 | 0 | 0 | 112.2 | S352 R356 | S352-N354 PolarHBondContact OG-N 3.2Å; S352-N354 PolarHBondContact OG-O 3.06Å; N354-R356 PolarHBondContact O-N 3.1Å; N354-R356 VanDerWaalsContact O-N 3.09Å |
| 355 | S | 63.6 | Low | 77.5 | Confident | 104 Ų | 104 | 77.2 Ų | 77.2 | 73% | 0.727 | 40% | 0.403 | S | S | * | . | trans | -43.6 | 116.4 | 171.2 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 356 | R | 75 | Confident | 78.2 | Confident | 115 Ų | 115 | 75 Ų | 75 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 133.3 | -175.3 | 177.7 | -176.6 | 175.3 | -168.2 | -1.4 | 110.2 | L350 N354 | L350-R356 VanDerWaalsContact CD2-NH2 3.34Å; N354-R356 PolarHBondContact O-N 3.1Å; N354-R356 VanDerWaalsContact O-N 3.09Å |
| 357 | Y | 87 | Confident | 79 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 141 | 165.3 | -70 | -94.1 | 0 | 0 | 0 | 110.7 | Y346 A347 E405 I407 T494 | Y346-Y357 AromaticContact CD1-CD2 3.86Å; Y346-Y357 HydrophobicContact CD1-CD2 3.86Å; Y346-Y357 HydrophobicContact CD1-CE1 4.47Å; Y346-Y357 AromaticContact CD1-CE2 3.76Å; Y346-Y357 HydrophobicContact CD1-CE2 3.76Å; Y346-Y357 HydrophobicContact CD1-CG 4.25Å; Y346-Y357 HydrophobicContact CE1-CE2 4.4Å; Y346-Y357 HydrophobicContact CG-CD2 4.39Å; A347-Y357 PolarHBondContact O-N 3.15Å; A347-Y357 VanDerWaalsContact O-N 3.14Å; Y357-E405 VanDerWaalsContact CE1-OE2 3.32Å; Y357-E405 WeakPolarHBondContact CE1-OE2 3.2Å; Y357-E405 PolarHBondContact OH-OE2 3.32Å; Y357-I407 HydrophobicContact CD1-CD1 4.25Å; Y357-I407 HydrophobicContact CE1-CD1 3.64Å; Y357-T494 CarbonylContact C-O 3.44Å; Y357-T494 WeakPolarHBondContact CA-O 3.41Å |
| 358 | H | 90.7 | Very high | 80 | Confident | 43 Ų | 43 | 78.5 Ų | 78.5 | 20% | 0.199 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.8 | 162 | -72 | -101.5 | 0 | 0 | 0 | 108.3 | Y493 T494 W496 | H358-Y493 WeakPolarHBondContact O-CA 3.47Å; H358-T494 PolarHBondContact N-O 3.13Å; H358-T494 PolarHBondContact O-N 3.08Å; H358-T494 VanDerWaalsContact O-N 3.14Å; H358-W496 WeakPolarHBondContact CB-O 3.4Å; H358-W496 PolarHBondContact CD2-O 2.67Å |
| 359 | E | 92.9 | Very high | 81.2 | Confident | 75 Ų | 75 | 75.8 Ų | 75.8 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.8 | 175.4 | 178.4 | 178.9 | -135.8 | 0 | 0 | 109.9 | T348 I361 L492 Y493 | T348-E359 HydrophobicContact CG2-CB 3.74Å; E359-I361 HydrophobicContact CG-CD1 4.35Å; E359-I361 HydrophobicContact CG-CG1 3.94Å; E359-L492 WeakPolarHBondContact CA-O 3.38Å; E359-Y493 HydrophobicContact CB-CD1 4Å; E359-Y493 HydrophobicContact CB-CE1 3.83Å; E359-Y493 HydrophobicContact CG-CD1 4.18Å; E359-Y493 HydrophobicContact CG-CE1 3.6Å; E359-Y493 VanDerWaalsContact OE1-CE1 3.31Å; E359-Y493 WeakPolarHBondContact OE1-CE1 3.23Å; E359-Y493 VanDerWaalsContact OE1-CZ 3.25Å; E359-Y493 PolarHBondContact OE1-OH 3.17Å |
| 360 | H | 95 | Very high | 82.6 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 20% | 0.199 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.8 | 171.4 | -60 | -85.1 | 0 | 0 | 0 | 109.2 | F362 R491 L492 P500 | H360-F362 HydrophobicContact CB-CE2 4.11Å; H360-R491 CarbonylContact O-C 3.18Å; H360-R491 WeakPolarHBondContact O-CA 3.45Å; H360-L492 HydrophobicContact CB-CB 4.41Å; H360-L492 PolarHBondContact N-O 2.82Å; H360-L492 PolarHBondContact O-N 3.36Å; H360-P500 HydrophobicContact CB-CG 3.45Å; H360-P500 VanDerWaalsContact CB-CG 3.45Å; H360-P500 VanDerWaalsContact CE1-CD 3.41Å; H360-P500 WeakPolarHBondContact CE1-CD 3.01Å; H360-P500 WeakPolarHBondContact ND1-CD 3.24Å; H360-P500 WeakPolarHBondContact ND1-CG 3.41Å |
| 361 | I | 95.8 | Very high | 84 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 40% | 0.4 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.5 | -177.6 | -51.4 | -176.8 | 0 | 0 | 0 | 108.6 | E359 M489 L490 R491 | E359-I361 HydrophobicContact CG-CD1 4.35Å; E359-I361 HydrophobicContact CG-CG1 3.94Å; I361-M489 HydrophobicContact CG2-CG 3.7Å; I361-M489 HydrophobicContact CG2-SD 3.92Å; I361-L490 CarbonylContact C-O 3.3Å; I361-L490 WeakPolarHBondContact CA-O 2.99Å; I361-R491 HydrophobicContact CG1-CG 4.12Å; I361-R491 HydrophobicContact CG2-CG 4.24Å |
| 362 | F | 97.7 | Very high | 84.7 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.9 | 172.3 | -62.1 | -84.4 | 0 | 0 | 0 | 109.3 | H360 Y395 M489 L490 L492 P500 | H360-F362 HydrophobicContact CB-CE2 4.11Å; F362-Y395 HydrophobicContact CB-CD1 4.18Å; F362-Y395 HydrophobicContact CB-CE1 3.65Å; F362-Y395 AromaticContact CD1-CD1 3.68Å; F362-Y395 HydrophobicContact CD1-CD1 3.68Å; F362-Y395 AromaticContact CD1-CE1 3.57Å; F362-Y395 HydrophobicContact CD1-CE1 3.57Å; F362-Y395 HydrophobicContact CD2-CD1 4.01Å; F362-Y395 HydrophobicContact CD2-CE1 4.35Å; F362-Y395 HydrophobicContact CE1-CD1 4.03Å; F362-Y395 HydrophobicContact CE1-CE1 4.32Å; F362-Y395 HydrophobicContact CE2-CD1 4.33Å; F362-Y395 AromaticContact CG-CD1 3.67Å; F362-Y395 HydrophobicContact CG-CD1 3.67Å; F362-Y395 AromaticContact CG-CE1 3.59Å; F362-Y395 HydrophobicContact CG-CE1 3.59Å; F362-Y395 HydrophobicContact CZ-CD1 4.34Å; F362-M489 CarbonylContact O-C 3.59Å; F362-M489 VanDerWaalsContact O-CA 3.26Å; F362-M489 WeakPolarHBondContact O-CA 3.04Å; F362-L490 HydrophobicContact CB-CB 4.34Å; F362-L490 PolarHBondContact N-O 2.63Å; F362-L490 PolarHBondContact O-N 3.44Å; F362-L492 HydrophobicContact CE2-CD1 4.33Å; F362-P500 HydrophobicContact CE2-CB 3.69Å; F362-P500 HydrophobicContact CE2-CG 3.68Å; F362-P500 HydrophobicContact CZ-CB 3.6Å; F362-P500 HydrophobicContact CZ-CG 3.64Å |
| 363 | Q | 97.1 | Very high | 85.7 | Confident | 128 Ų | 128 | 79.2 Ų | 79.2 | 60% | 0.598 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.9 | 166 | -68.3 | -178.8 | -21.2 | 0 | 0 | 107.4 | F488 | Q363-F488 WeakPolarHBondContact CA-O 3.43Å |
| 364 | G | 97.2 | Very high | 86.9 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 12% | 0.124 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F488 | G364-F488 PolarHBondContact N-O 3.45Å; G364-F488 WeakPolarHBondContact O-CD1 3.43Å; G364-F488 PolarHBondContact O-N 2.79Å |
| 365 | V | 97.1 | Very high | 88 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 133.3 | -175.3 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | Q367 G486 E487 F488 | V365-Q367 HydrophobicContact CG1-CB 4.19Å; V365-G486 CarbonylContact C-O 3.5Å; V365-G486 WeakPolarHBondContact CA-O 3.43Å; V365-E487 HydrophobicContact CG2-CG 4.33Å; V365-F488 VanDerWaalsContact N-CE1 3.33Å |
| 366 | W | 97.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.3 | 158.6 | -56.5 | -65.4 | 0 | 0 | 0 | 107.4 | L410 Q412 L426 I428 P477 T479 E484 E485 G486 F488 | W366-L410 HydrophobicContact CH2-CD1 4.44Å; W366-L410 HydrophobicContact CH2-CD2 4.3Å; W366-L410 HydrophobicContact CZ2-CD1 4.31Å; W366-L410 HydrophobicContact CZ2-CD2 4.05Å; W366-Q412 HydrophobicContact CZ3-CB 4.24Å; W366-L426 HydrophobicContact CE3-CD1 4.3Å; W366-L426 HydrophobicContact CZ3-CD1 4.39Å; W366-I428 HydrophobicContact CH2-CB 4.2Å; W366-I428 HydrophobicContact CH2-CG2 3.49Å; W366-I428 VanDerWaalsContact CH2-CG2 3.49Å; W366-I428 HydrophobicContact CZ2-CG2 4.26Å; W366-I428 HydrophobicContact CZ3-CG2 3.87Å; W366-P477 HydrophobicContact CZ2-CB 4.25Å; W366-P477 PolarHBondContact NE1-O 2.92Å; W366-T479 HydrophobicContact CD2-CG2 3.79Å; W366-T479 HydrophobicContact CE3-CG2 3.8Å; W366-T479 HydrophobicContact CG-CG2 4.18Å; W366-T479 HydrophobicContact CZ3-CG2 4.22Å; W366-E484 WeakPolarHBondContact CB-O 3.15Å; W366-E485 WeakPolarHBondContact O-CA 3.42Å; W366-G486 PolarHBondContact N-O 3.5Å; W366-G486 PolarHBondContact O-N 3.37Å; W366-F488 AromaticContact CD2-CD1 3.7Å; W366-F488 HydrophobicContact CD2-CD1 3.7Å; W366-F488 HydrophobicContact CD2-CE1 4.24Å; W366-F488 AromaticContact CE2-CD1 3.5Å; W366-F488 VanDerWaalsContact CE2-CD1 3.5Å; W366-F488 AromaticContact CE2-CE1 3.94Å; W366-F488 HydrophobicContact CE3-CB 4.46Å; W366-F488 HydrophobicContact CE3-CD1 4.01Å; W366-F488 HydrophobicContact CG-CD1 4.27Å; W366-F488 HydrophobicContact CG-CE1 4.4Å; W366-F488 HydrophobicContact CH2-CB 3.55Å; W366-F488 HydrophobicContact CH2-CD1 4Å; W366-F488 HydrophobicContact CH2-CG 4.02Å; W366-F488 HydrophobicContact CZ2-CB 3.97Å; W366-F488 AromaticContact CZ2-CD1 3.68Å; W366-F488 HydrophobicContact CZ2-CD1 3.68Å; W366-F488 HydrophobicContact CZ2-CE1 4.4Å; W366-F488 AromaticContact CZ2-CG 3.91Å; W366-F488 HydrophobicContact CZ2-CG 3.91Å; W366-F488 HydrophobicContact CZ3-CB 3.83Å; W366-F488 HydrophobicContact CZ3-CD1 4.16Å; W366-F488 HydrophobicContact CZ3-CG 4.42Å; W366-F488 AromaticContact NE1-CD1 3.93Å; W366-F488 AromaticContact NE1-CE1 3.87Å |
| 367 | Q | 95.9 | Very high | 90.1 | Very high | 114 Ų | 114 | 64.8 Ų | 64.8 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | trans | -134.7 | 134.6 | -175.6 | -173.5 | 174.3 | 16 | 0 | 0 | 109.5 | V365 R378 S379 | V365-Q367 HydrophobicContact CG1-CB 4.19Å; Q367-R378 PolarHBondContact O-N 3.25Å; Q367-S379 PolarHBondContact O-OG 2.53Å | ||
| 368 | C | 95 | Very high | 90.6 | Very high | 29 Ų | 29 | 65.2 Ų | 65.2 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | -68.2 | 138.1 | 172.6 | -76.1 | 0 | 0 | 0 | 0 | 110.2 | D377 R483 E485 | C368-D377 WeakPolarHBondContact CA-OD1 3.47Å; C368-R483 PolarHBondContact SG-O 3.33Å; C368-E485 HydrophobicContact CB-CG 4.45Å; C368-E485 WeakPolarHBondContact CB-OE1 3.4Å; C368-E485 PolarHBondContact N-OE1 3.02Å | ||
| 369 | G | 89.3 | Confident | 90.9 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 6% | 0.062 | 33% | 0.327 | C | S | . | . | trans | -70.7 | 158.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A371 S376 D377 | G369-A371 PolarHBondContact O-N 2.92Å; G369-A371 VanDerWaalsContact O-N 3.12Å; G369-S376 WeakPolarHBondContact CA-OG 3.43Å; G369-D377 PolarHBondContact N-OD1 3.4Å | ||
| 370 | D | 86 | Confident | 91.1 | Very high | 159 Ų | 159 | 59.6 Ų | 59.6 | 85% | 0.85 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -55.9 | -31.1 | -179.5 | -54.4 | -58.6 | 0 | 0 | 0 | 113 | S376 | D370-S376 PolarHBondContact OD2-OG 3.49Š|
| 371 | A | 82.9 | Confident | 91.2 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -129 | 159.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G369 D373 S374 | G369-A371 PolarHBondContact O-N 2.92Å; G369-A371 VanDerWaalsContact O-N 3.12Å; A371-D373 PolarHBondContact O-N 3.19Å; A371-D373 VanDerWaalsContact O-N 3.08Å; A371-S374 WeakPolarHBondContact O-CB 3.36Å; A371-S374 PolarHBondContact O-N 2.94Å |
| 372 | K | 73.5 | Confident | 91.3 | Very high | 156 Ų | 156 | 54 Ų | 54 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.1 | -177.2 | -165.9 | 177.1 | 178.6 | -178.2 | 0 | 113.6 | R391 | K372-R391 PolarHBondContact O-NH1 3.19Š|
| 373 | D | 75 | Confident | 91.2 | Very high | 121 Ų | 121 | 54 Ų | 54 | 65% | 0.647 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 20.1 | -179.6 | -60.9 | -48.3 | 0 | 0 | 0 | 113.3 | A371 R391 | A371-D373 PolarHBondContact O-N 3.19Å; A371-D373 VanDerWaalsContact O-N 3.08Å; D373-R391 IonicContact OD1-NH2 3.11Å; D373-R391 PolarHBondContact OD1-NH2 2.89Å |
| 374 | S | 82.9 | Confident | 91.2 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | trans | -69.5 | 136.8 | 177.2 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | A371 S376 D377 | A371-S374 WeakPolarHBondContact O-CB 3.36Å; A371-S374 PolarHBondContact O-N 2.94Å; S374-S376 PolarHBondContact O-N 3.36Å; S374-S376 PolarHBondContact OG-N 3.2Å; S374-S376 VanDerWaalsContact OG-N 3.08Å; S374-S376 PolarHBondContact OG-OG 3.21Å; S374-D377 VanDerWaalsContact O-CB 3.25Å; S374-D377 WeakPolarHBondContact O-CB 3.45Å; S374-D377 PolarHBondContact O-N 2.88Å; S374-D377 VanDerWaalsContact O-N 3.11Å | ||
| 375 | W | 80.9 | Confident | 91.2 | Very high | 113 Ų | 113 | 54.9 Ų | 54.9 | 43% | 0.428 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -10.5 | 168 | -66.8 | 115.1 | 0 | 0 | 0 | 113.3 | D377 R378 H444 Y646 | W375-D377 VanDerWaalsContact C-N 3.26Å; W375-R378 PolarHBondContact O-NH1 3.24Å; W375-H444 AromaticContact CE3-CE1 3.84Å; W375-H444 AromaticContact CE3-ND1 3.96Å; W375-H444 AromaticContact CH2-ND1 3.67Å; W375-H444 AromaticContact CZ3-CE1 3.43Å; W375-H444 VanDerWaalsContact CZ3-CE1 3.43Å; W375-H444 WeakPolarHBondContact CZ3-CE1 3.39Å; W375-H444 AromaticContact CZ3-ND1 3.12Å; W375-H444 WeakPolarHBondContact CZ3-ND1 3.35Å; W375-Y646 HydrophobicContact CD2-CD1 4.32Å; W375-Y646 HydrophobicContact CD2-CE1 4.11Å; W375-Y646 AromaticContact CE2-CD1 3.74Å; W375-Y646 AromaticContact CE2-CE1 3.73Å; W375-Y646 HydrophobicContact CG-CE1 4.46Å; W375-Y646 AromaticContact CH2-CD1 3.86Å; W375-Y646 HydrophobicContact CH2-CD1 3.86Å; W375-Y646 HydrophobicContact CH2-CG 4.44Å; W375-Y646 AromaticContact CZ2-CD1 3.48Å; W375-Y646 HydrophobicContact CZ2-CD1 3.48Å; W375-Y646 VanDerWaalsContact CZ2-CD1 3.48Å; W375-Y646 AromaticContact CZ2-CE1 3.98Å; W375-Y646 HydrophobicContact CZ2-CE1 3.98Å; W375-Y646 AromaticContact CZ2-CG 3.94Å; W375-Y646 HydrophobicContact CZ2-CG 3.94Å; W375-Y646 HydrophobicContact CZ3-CD1 4.42Å; W375-Y646 AromaticContact NE1-CE1 3.85Å |
| 376 | S | 89.2 | Confident | 91 | Very high | 52 Ų | 52 | 60.6 Ų | 60.6 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.4 | 170.6 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | G369 D370 S374 R378 | G369-S376 WeakPolarHBondContact CA-OG 3.43Å; D370-S376 PolarHBondContact OD2-OG 3.49Å; S374-S376 PolarHBondContact O-N 3.36Å; S374-S376 PolarHBondContact OG-N 3.2Å; S374-S376 VanDerWaalsContact OG-N 3.08Å; S374-S376 PolarHBondContact OG-OG 3.21Å; S376-R378 PolarHBondContact O-N 3.09Å |
| 377 | D | 94.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.011 | 35% | 0.354 | C | S | . | . | trans | -65.5 | 129.7 | 179.8 | -171.3 | 76.5 | 0 | 0 | 0 | 111.9 | C368 G369 S374 W375 S379 R391 R483 | C368-D377 WeakPolarHBondContact CA-OD1 3.47Å; G369-D377 PolarHBondContact N-OD1 3.4Å; S374-D377 VanDerWaalsContact O-CB 3.25Å; S374-D377 WeakPolarHBondContact O-CB 3.45Å; S374-D377 PolarHBondContact O-N 2.88Å; S374-D377 VanDerWaalsContact O-N 3.11Å; W375-D377 VanDerWaalsContact C-N 3.26Å; D377-S379 PolarHBondContact OD1-OG 2.84Å; D377-R391 VanDerWaalsContact O-O 3.12Å; D377-R391 VanDerWaalsContact OD2-CD 3.26Å; D377-R391 WeakPolarHBondContact OD2-CD 3.29Å; D377-R391 IonicContact OD2-NH1 3.67Å; D377-R483 IonicContact OD1-NH1 3.7Å | ||
| 378 | R | 96.7 | Very high | 90.6 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | trans | -124.7 | 19.2 | 179.3 | -63.8 | -67.2 | 175.8 | -87.5 | 1.6 | 112.3 | Q367 W375 S376 R391 P393 | Q367-R378 PolarHBondContact O-N 3.25Å; W375-R378 PolarHBondContact O-NH1 3.24Å; S376-R378 PolarHBondContact O-N 3.09Å; R378-R391 WeakPolarHBondContact CA-O 3.32Å; R378-R391 WeakPolarHBondContact CD-O 3.28Å; R378-P393 HydrophobicContact CB-CG 4.3Å; R378-P393 WeakPolarHBondContact O-CD 3.44Å | ||
| 379 | S | 96.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -123.7 | 61.3 | -177.2 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | Q367 D377 G381 P482 R483 E484 | Q367-S379 PolarHBondContact O-OG 2.53Å; D377-S379 PolarHBondContact OD1-OG 2.84Å; S379-G381 PolarHBondContact O-N 2.8Å; S379-P482 CarbonylContact O-C 3.5Å; S379-P482 WeakPolarHBondContact O-CA 3.43Å; S379-R483 PolarHBondContact O-N 2.93Å; S379-R483 WeakPolarHBondContact OG-CA 3.37Å; S379-E484 VanDerWaalsContact CB-O 3.24Å; S379-E484 WeakPolarHBondContact CB-O 2.94Å | ||
| 380 | G | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -78.6 | -14.2 | -168 | 0 | 0 | 0 | 0 | 0 | 116.1 | T388 C389 N392 | G380-T388 WeakPolarHBondContact CA-O 3.35Å; G380-T388 CarbonylContact O-C 3.57Å; G380-T388 VanDerWaalsContact O-C 3.3Å; G380-T388 WeakPolarHBondContact O-CB 3.49Å; G380-T388 PolarHBondContact O-OG1 2.73Å; G380-C389 PolarHBondContact O-N 2.75Å; G380-N392 PolarHBondContact N-OD1 3.35Å | ||
| 381 | G | 97.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | 75 | 178.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S379 C389 N392 T479 | S379-G381 PolarHBondContact O-N 2.8Å; G381-C389 WeakPolarHBondContact O-CA 3.44Å; G381-C389 WeakPolarHBondContact O-CB 3.16Å; G381-N392 PolarHBondContact N-ND2 2.72Å; G381-N392 PolarHBondContact O-ND2 2.8Å; G381-T479 CarbonylContact C-O 3.56Å; G381-T479 VanDerWaalsContact CA-O 3.22Å; G381-T479 WeakPolarHBondContact CA-O 3.39Å | ||
| 382 | C | 97.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -74.4 | 178.5 | -178 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | N384 N385 C389 Y455 T479 F480 | C382-N384 PolarHBondContact O-N 3.2Å; C382-N385 PolarHBondContact N-ND2 2.81Å; C382-N385 WeakPolarHBondContact O-CB 3.12Å; C382-N385 PolarHBondContact O-N 3.09Å; C382-N385 PolarHBondContact O-ND2 3.43Å; C382-C389 VanDerWaalsContact O-CB 3.27Å; C382-C389 WeakPolarHBondContact O-CB 3.44Å; C382-Y455 HydrophobicContact CB-CD1 4.15Å; C382-Y455 HydrophobicContact CB-CE1 3.51Å; C382-Y455 HydrophobicContact CB-CE2 4.25Å; C382-T479 PolarHBondContact N-O 3.01Å; C382-F480 HydrophobicContact CB-CD2 4.27Å; C382-F480 PolarHBondContact N-O 3.23Å; C382-F480 VanDerWaalsContact N-O 3.09Å; C382-F480 PolarHBondContact SG-O 2.72Å |
| 383 | V | 96.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -23.3 | -177.8 | 70.9 | 0 | 0 | 0 | 0 | 115 | N385 M431 M446 L449 | V383-N385 PolarHBondContact O-N 3Å; V383-M431 HydrophobicContact CB-SD 4.31Å; V383-M446 HydrophobicContact CG2-CE 4.33Å; V383-L449 HydrophobicContact CG2-CD2 4.08Å |
| 384 | N | 96.7 | Very high | 94.5 | Very high | 117 Ų | 117 | 42.4 Ų | 42.4 | 63% | 0.626 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.7 | 174.7 | -65.5 | -24.8 | 0 | 0 | 0 | 111.9 | C382 K386 | C382-N384 PolarHBondContact O-N 3.2Å; N384-K386 VanDerWaalsContact C-N 3.3Å; N384-K386 PolarHBondContact O-N 3.14Å; N384-K386 VanDerWaalsContact O-N 3.12Å |
| 385 | N | 96 | Very high | 95.2 | Very high | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | trans | -87.1 | 65.4 | 174.9 | -55 | -79 | 0 | 0 | 0 | 110.4 | C382 V383 L387 T388 C389 F480 P482 | C382-N385 PolarHBondContact N-ND2 2.81Å; C382-N385 WeakPolarHBondContact O-CB 3.12Å; C382-N385 PolarHBondContact O-N 3.09Å; C382-N385 PolarHBondContact O-ND2 3.43Å; V383-N385 PolarHBondContact O-N 3Å; N385-L387 PolarHBondContact O-N 3.05Å; N385-T388 WeakPolarHBondContact CB-OG1 3.49Å; N385-T388 PolarHBondContact O-N 3.22Å; N385-C389 WeakPolarHBondContact O-CB 3.42Å; N385-C389 PolarHBondContact O-N 2.81Å; N385-F480 PolarHBondContact ND2-O 3.46Å; N385-F480 VanDerWaalsContact ND2-O 3.14Å; N385-P482 WeakPolarHBondContact OD1-CD 3.43Å | ||
| 386 | K | 93.7 | Very high | 96 | Very high | 186 Ų | 186 | 38.3 Ų | 38.3 | 81% | 0.809 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -30.8 | -170.5 | -63 | -176.3 | -179 | 178.3 | 0 | 114.7 | N384 | N384-K386 VanDerWaalsContact C-N 3.3Å; N384-K386 PolarHBondContact O-N 3.14Å; N384-K386 VanDerWaalsContact O-N 3.12Å |
| 387 | L | 91.7 | Very high | 96.5 | Very high | 170 Ų | 170 | 35.9 Ų | 35.9 | 89% | 0.89 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -23.7 | -179.6 | -62 | 178.1 | 0 | 0 | 0 | 113.7 | N385 | N385-L387 PolarHBondContact O-N 3.05Š|
| 388 | T | 94.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 17% | 0.172 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | -15.9 | -167.7 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | G380 N385 L390 R391 | G380-T388 WeakPolarHBondContact CA-O 3.35Å; G380-T388 CarbonylContact O-C 3.57Å; G380-T388 VanDerWaalsContact O-C 3.3Å; G380-T388 WeakPolarHBondContact O-CB 3.49Å; G380-T388 PolarHBondContact O-OG1 2.73Å; N385-T388 WeakPolarHBondContact CB-OG1 3.49Å; N385-T388 PolarHBondContact O-N 3.22Å; T388-L390 PolarHBondContact O-N 2.94Å; T388-R391 WeakPolarHBondContact O-CB 3.49Å; T388-R391 WeakPolarHBondContact O-CG 3.21Å; T388-R391 PolarHBondContact O-N 3.42Å |
| 389 | C | 96.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -57.6 | -25 | -173.2 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | G380 G381 C382 N385 R391 N392 M431 M446 | G380-C389 PolarHBondContact O-N 2.75Å; G381-C389 WeakPolarHBondContact O-CA 3.44Å; G381-C389 WeakPolarHBondContact O-CB 3.16Å; C382-C389 VanDerWaalsContact O-CB 3.27Å; C382-C389 WeakPolarHBondContact O-CB 3.44Å; N385-C389 WeakPolarHBondContact O-CB 3.42Å; N385-C389 PolarHBondContact O-N 2.81Å; C389-R391 VanDerWaalsContact C-N 3.32Å; C389-N392 PolarHBondContact O-ND2 2.92Å; C389-M431 HydrophobicContact CB-CE 4.4Å; C389-M446 WeakPolarHBondContact SG-CE 3.5Å |
| 390 | L | 95.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -82.9 | -6.9 | 175.5 | -63.4 | 177 | 0 | 0 | 0 | 113.5 | T388 N392 Q394 M431 R442 L443 H444 M446 I476 | T388-L390 PolarHBondContact O-N 2.94Å; L390-N392 PolarHBondContact O-N 3.25Å; L390-Q394 PolarHBondContact O-NE2 2.83Å; L390-M431 HydrophobicContact CD2-CE 3.73Å; L390-R442 PolarHBondContact O-NH2 3.16Å; L390-L443 WeakPolarHBondContact CB-O 3.41Å; L390-L443 HydrophobicContact CD1-CB 4.08Å; L390-L443 HydrophobicContact CD2-CB 4.22Å; L390-H444 VanDerWaalsContact CD1-C 3.5Å; L390-M446 HydrophobicContact CD1-CB 4.42Å; L390-M446 HydrophobicContact CD1-CE 4.44Å; L390-M446 HydrophobicContact CD2-CE 3.74Å; L390-M446 HydrophobicContact CD2-SD 4.2Å; L390-M446 HydrophobicContact CG-CE 4.04Å; L390-I476 HydrophobicContact CD2-CD1 3.7Å |
| 391 | R | 95.2 | Very high | 96 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -67.5 | -26.4 | 171.6 | -63.3 | -178.8 | -178.3 | -177.7 | -1.8 | 112.1 | K372 D373 D377 R378 T388 C389 R442 | K372-R391 PolarHBondContact O-NH1 3.19Å; D373-R391 IonicContact OD1-NH2 3.11Å; D373-R391 PolarHBondContact OD1-NH2 2.89Å; D377-R391 VanDerWaalsContact O-O 3.12Å; D377-R391 VanDerWaalsContact OD2-CD 3.26Å; D377-R391 WeakPolarHBondContact OD2-CD 3.29Å; D377-R391 IonicContact OD2-NH1 3.67Å; R378-R391 WeakPolarHBondContact CA-O 3.32Å; R378-R391 WeakPolarHBondContact CD-O 3.28Å; T388-R391 WeakPolarHBondContact O-CB 3.49Å; T388-R391 WeakPolarHBondContact O-CG 3.21Å; T388-R391 PolarHBondContact O-N 3.42Å; C389-R391 VanDerWaalsContact C-N 3.32Å; R391-R442 PolarHBondContact O-NH2 2.8Å |
| 392 | N | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -52.2 | 160.7 | 175.9 | -68.4 | -61.3 | 0 | 0 | 0 | 113 | G380 G381 C389 L390 Q394 R442 I476 S478 | G380-N392 PolarHBondContact N-OD1 3.35Å; G381-N392 PolarHBondContact N-ND2 2.72Å; G381-N392 PolarHBondContact O-ND2 2.8Å; C389-N392 PolarHBondContact O-ND2 2.92Å; L390-N392 PolarHBondContact O-N 3.25Å; N392-Q394 WeakPolarHBondContact O-CG 3.16Å; N392-R442 PolarHBondContact O-NH1 3.47Å; N392-R442 PolarHBondContact O-NH2 3.41Å; N392-I476 HydrophobicContact CB-CG2 3.46Å; N392-I476 VanDerWaalsContact CB-CG2 3.46Å; N392-S478 VanDerWaalsContact CG-CB 3.43Å; N392-S478 VanDerWaalsContact ND2-CB 3.27Å; N392-S478 WeakPolarHBondContact ND2-CB 3.44Å |
| 393 | P | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | trans | -56 | 142.3 | 171.8 | -28 | 39.4 | 0 | 0 | 0 | 111.5 | R378 Y395 I476 P477 F488 | R378-P393 HydrophobicContact CB-CG 4.3Å; R378-P393 WeakPolarHBondContact O-CD 3.44Å; P393-Y395 HydrophobicContact CB-CE2 3.77Å; P393-I476 WeakPolarHBondContact O-CG2 3.31Å; P393-P477 HydrophobicContact CB-CG 4.45Å; P393-P477 WeakPolarHBondContact O-CD 3.37Å; P393-F488 HydrophobicContact CB-CE1 4.43Å; P393-F488 HydrophobicContact CB-CZ 3.9Å; P393-F488 HydrophobicContact CG-CE1 3.86Å; P393-F488 HydrophobicContact CG-CZ 3.84Å | ||
| 394 | Q | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -128.9 | 120.8 | -171.8 | -65.8 | -174.9 | 15.8 | 0 | 0 | 109.7 | L390 N392 R442 L443 V474 I476 E502 L503 | L390-Q394 PolarHBondContact O-NE2 2.83Å; N392-Q394 WeakPolarHBondContact O-CG 3.16Å; Q394-R442 VanDerWaalsContact OE1-CA 3.28Å; Q394-L443 PolarHBondContact NE2-O 2.92Å; Q394-V474 HydrophobicContact CB-CG1 3.68Å; Q394-V474 HydrophobicContact CG-CG1 4.22Å; Q394-I476 HydrophobicContact CG-CD1 4.04Å; Q394-I476 HydrophobicContact CG-CG1 4.05Å; Q394-E502 CarbonylContact O-C 3.58Å; Q394-E502 WeakPolarHBondContact O-CA 3.5Å; Q394-L503 HydrophobicContact CB-CB 4.08Å; Q394-L503 HydrophobicContact CB-CD1 4.18Å; Q394-L503 HydrophobicContact CB-CG 4.47Å; Q394-L503 PolarHBondContact O-N 2.88Å | ||
| 395 | Y | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.8 | -178.9 | -59.5 | -89.5 | 0 | 0 | 0 | 109.6 | F362 P393 V474 I475 P477 F488 L490 A501 E502 | F362-Y395 HydrophobicContact CB-CD1 4.18Å; F362-Y395 HydrophobicContact CB-CE1 3.65Å; F362-Y395 AromaticContact CD1-CD1 3.68Å; F362-Y395 HydrophobicContact CD1-CD1 3.68Å; F362-Y395 AromaticContact CD1-CE1 3.57Å; F362-Y395 HydrophobicContact CD1-CE1 3.57Å; F362-Y395 HydrophobicContact CD2-CD1 4.01Å; F362-Y395 HydrophobicContact CD2-CE1 4.35Å; F362-Y395 HydrophobicContact CE1-CD1 4.03Å; F362-Y395 HydrophobicContact CE1-CE1 4.32Å; F362-Y395 HydrophobicContact CE2-CD1 4.33Å; F362-Y395 AromaticContact CG-CD1 3.67Å; F362-Y395 HydrophobicContact CG-CD1 3.67Å; F362-Y395 AromaticContact CG-CE1 3.59Å; F362-Y395 HydrophobicContact CG-CE1 3.59Å; F362-Y395 HydrophobicContact CZ-CD1 4.34Å; P393-Y395 HydrophobicContact CB-CE2 3.77Å; Y395-V474 CarbonylContact O-C 3.53Å; Y395-V474 WeakPolarHBondContact O-CA 3.27Å; Y395-I475 PolarHBondContact N-O 2.77Å; Y395-I475 PolarHBondContact O-N 3.01Å; Y395-P477 HydrophobicContact CD2-CG 4.2Å; Y395-P477 HydrophobicContact CE2-CG 3.78Å; Y395-F488 HydrophobicContact CE2-CE2 4.06Å; Y395-F488 HydrophobicContact CE2-CZ 4.08Å; Y395-L490 HydrophobicContact CD2-CD2 3.56Å; Y395-L490 HydrophobicContact CE2-CD2 4.05Å; Y395-L490 HydrophobicContact CG-CD2 3.88Å; Y395-A501 CarbonylContact C-O 3.55Å; Y395-A501 WeakPolarHBondContact CA-O 3.49Å; Y395-E502 HydrophobicContact CD1-CB 3.83Å; Y395-E502 HydrophobicContact CD1-CG 4.14Å; Y395-E502 HydrophobicContact CE1-CB 3.7Å; Y395-E502 HydrophobicContact CE1-CG 3.77Å |
| 396 | R | 98.2 | Very high | 95.1 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 22% | 0.219 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 147.2 | 175 | 64.3 | 163 | -179.7 | 86.1 | 4.1 | 110.9 | Y473 V474 P500 A501 L503 | R396-Y473 CarbonylContact C-O 3.55Å; R396-Y473 VanDerWaalsContact CA-O 3.24Å; R396-Y473 WeakPolarHBondContact CA-O 3.37Å; R396-V474 HydrophobicContact CB-CG2 4.07Å; R396-P500 CarbonylContact O-C 3.51Å; R396-P500 WeakPolarHBondContact O-CA 3.4Å; R396-A501 HydrophobicContact CG-CB 4.26Å; R396-A501 VanDerWaalsContact CG-O 3.29Å; R396-A501 WeakPolarHBondContact CG-O 3.45Å; R396-A501 PolarHBondContact N-O 3.35Å; R396-A501 PolarHBondContact O-N 3.41Å; R396-L503 HydrophobicContact CB-CD1 4.27Å; R396-L503 HydrophobicContact CB-CD2 4.07Å; R396-L503 HydrophobicContact CB-CG 4.12Å; R396-L503 HydrophobicContact CG-CD2 3.72Å; R396-L503 HydrophobicContact CG-CG 4.15Å |
| 397 | F | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 160.3 | 168.4 | 69.8 | -82.7 | 0 | 0 | 0 | 110.8 | V399 L406 L432 L468 Y473 I475 W496 A498 P500 | F397-V399 HydrophobicContact CD2-CG2 4.31Å; F397-V399 HydrophobicContact CE2-CG2 3.77Å; F397-L406 HydrophobicContact CE1-CD2 4.44Å; F397-L406 HydrophobicContact CE2-CD1 4.41Å; F397-L406 HydrophobicContact CE2-CD2 4.23Å; F397-L406 HydrophobicContact CZ-CD1 4.4Å; F397-L406 HydrophobicContact CZ-CD2 3.63Å; F397-L432 HydrophobicContact CE1-CD1 3.56Å; F397-L432 HydrophobicContact CZ-CD1 3.66Å; F397-L468 HydrophobicContact CE2-CD2 4.32Å; F397-L468 HydrophobicContact CZ-CD2 4.47Å; F397-Y473 HydrophobicContact CE2-CD2 4.41Å; F397-Y473 HydrophobicContact CZ-CD2 4.47Å; F397-Y473 HydrophobicContact CZ-CG 4.24Å; F397-Y473 PolarHBondContact N-O 2.89Å; F397-Y473 PolarHBondContact O-N 3.19Å; F397-I475 HydrophobicContact CD1-CG2 4.34Å; F397-I475 HydrophobicContact CE1-CB 4.12Å; F397-I475 HydrophobicContact CE1-CG2 4.24Å; F397-W496 HydrophobicContact CE2-CZ2 4.46Å; F397-A498 HydrophobicContact CB-CB 4.15Å; F397-A498 HydrophobicContact CD2-CB 4.18Å; F397-P500 HydrophobicContact CB-CB 3.95Å |
| 398 | D | 96.4 | Very high | 95.5 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.6 | -177.7 | -66.8 | -35.5 | 0 | 0 | 0 | 110.5 | L400 R472 W496 A498 | D398-L400 HydrophobicContact CB-CD2 4.41Å; D398-R472 IonicContact OD1-CZ 3.69Å; D398-R472 VanDerWaalsContact OD1-CZ 3.31Å; D398-R472 IonicContact OD1-NE 2.82Å; D398-R472 PolarHBondContact OD1-NE 2.84Å; D398-R472 IonicContact OD1-NH2 2.7Å; D398-R472 PolarHBondContact OD1-NH2 2.96Å; D398-R472 IonicContact OD2-CZ 2.83Å; D398-R472 IonicContact OD2-NE 3.89Å; D398-R472 IonicContact OD2-NH2 2.9Å; D398-R472 PolarHBondContact OD2-NH2 3.02Å; D398-W496 PolarHBondContact O-NE1 3.44Å; D398-A498 PolarHBondContact N-O 3.34Å; D398-A498 VanDerWaalsContact N-O 3.08Å |
| 399 | V | 95.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122 | 168.3 | -179 | 0 | 0 | 0 | 0 | 107.9 | F397 E401 S404 L468 R469 R470 G471 Y473 W496 | F397-V399 HydrophobicContact CD2-CG2 4.31Å; F397-V399 HydrophobicContact CE2-CG2 3.77Å; V399-E401 VanDerWaalsContact CG1-O 3.32Å; V399-E401 WeakPolarHBondContact CG1-O 3.37Å; V399-S404 WeakPolarHBondContact CG1-OG 3.33Å; V399-L468 HydrophobicContact CG2-CD2 3.46Å; V399-L468 VanDerWaalsContact CG2-CD2 3.46Å; V399-L468 HydrophobicContact CG2-CG 3.99Å; V399-R469 WeakPolarHBondContact CG1-O 3.32Å; V399-R470 WeakPolarHBondContact O-CA 3.32Å; V399-R470 WeakPolarHBondContact O-CG 3.41Å; V399-G471 PolarHBondContact N-O 2.59Å; V399-G471 PolarHBondContact O-N 3.08Å; V399-Y473 HydrophobicContact CB-CD2 4.31Å; V399-Y473 HydrophobicContact CB-CE2 3.91Å; V399-Y473 HydrophobicContact CG2-CD2 3.55Å; V399-Y473 HydrophobicContact CG2-CE2 3.46Å; V399-Y473 VanDerWaalsContact CG2-CE2 3.46Å; V399-W496 HydrophobicContact CB-CZ2 4.2Å; V399-W496 HydrophobicContact CG1-CH2 4.44Å; V399-W496 HydrophobicContact CG1-CZ2 4.24Å; V399-W496 HydrophobicContact CG2-CH2 4.23Å; V399-W496 HydrophobicContact CG2-CZ2 3.73Å |
| 400 | L | 90.9 | Very high | 95.6 | Very high | 93 Ų | 93 | 31.4 Ų | 31.4 | 49% | 0.487 | 16% | 0.155 | S | C | . | . | trans | -89.4 | -30.7 | -170 | -57.6 | -178.2 | 0 | 0 | 0 | 113.6 | D398 R470 | D398-L400 HydrophobicContact CB-CD2 4.41Å; L400-R470 WeakPolarHBondContact O-CD 3.48Å | ||
| 401 | E | 91.5 | Very high | 95.6 | Very high | 144 Ų | 144 | 31.1 Ų | 31.1 | 67% | 0.673 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -130.6 | 147 | -175 | -64.1 | -177.1 | 177.8 | 0 | 0 | 110.5 | V399 S404 | V399-E401 VanDerWaalsContact CG1-O 3.32Å; V399-E401 WeakPolarHBondContact CG1-O 3.37Å; E401-S404 WeakPolarHBondContact O-CB 3.42Å; E401-S404 PolarHBondContact O-OG 2.85Å |
| 402 | D | 91.6 | Very high | 95.6 | Very high | 95 Ų | 95 | 29.6 Ų | 29.6 | 51% | 0.508 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 159.2 | 170.4 | -68.8 | -36.3 | 0 | 0 | 0 | 110.6 | S404 R469 R470 | D402-S404 VanDerWaalsContact C-N 3.26Å; D402-S404 PolarHBondContact O-N 3.02Å; D402-R469 WeakPolarHBondContact OD1-CA 2.96Å; D402-R470 WeakPolarHBondContact OD1-CB 3.12Å; D402-R470 PolarHBondContact OD1-N 2.69Å |
| 403 | N | 92.8 | Very high | 95.2 | Very high | 119 Ų | 119 | 34.9 Ų | 34.9 | 64% | 0.636 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 27.1 | -177.1 | -52.5 | -52.6 | 0 | 0 | 0 | 114.6 | L468 | N403-L468 PolarHBondContact N-O 3.36Å; N403-L468 VanDerWaalsContact N-O 3.13Å |
| 404 | S | 94 | Very high | 94 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 8% | 0.077 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 152.9 | -179.8 | -77.2 | 0 | 0 | 0 | 0 | 112.7 | V399 E401 D402 N467 L468 W496 | V399-S404 WeakPolarHBondContact CG1-OG 3.33Å; E401-S404 WeakPolarHBondContact O-CB 3.42Å; E401-S404 PolarHBondContact O-OG 2.85Å; D402-S404 VanDerWaalsContact C-N 3.26Å; D402-S404 PolarHBondContact O-N 3.02Å; S404-N467 PolarHBondContact O-N 2.84Å; S404-L468 PolarHBondContact N-O 2.96Å; S404-L468 WeakPolarHBondContact O-CB 3.13Å; S404-L468 PolarHBondContact O-N 3.22Å; S404-W496 VanDerWaalsContact CB-CZ3 3.47Å |
| 405 | E | 92.6 | Very high | 92.2 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.8 | 177.3 | -175.4 | -176.8 | -122 | 0 | 0 | 111.6 | Y357 Y464 L465 W496 | Y357-E405 VanDerWaalsContact CE1-OE2 3.32Å; Y357-E405 WeakPolarHBondContact CE1-OE2 3.2Å; Y357-E405 PolarHBondContact OH-OE2 3.32Å; E405-Y464 HydrophobicContact CG-CE2 3.78Å; E405-Y464 VanDerWaalsContact OE1-CE2 3.31Å; E405-Y464 WeakPolarHBondContact OE1-CE2 3.27Å; E405-Y464 PolarHBondContact OE1-OH 3Å; E405-L465 WeakPolarHBondContact CA-O 3.39Å; E405-W496 WeakPolarHBondContact O-CZ3 3.44Å |
| 406 | L | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.4 | 174.3 | 174.2 | 67.6 | 0 | 0 | 0 | 110.2 | F397 L432 L465 L468 T494 | F397-L406 HydrophobicContact CE1-CD2 4.44Å; F397-L406 HydrophobicContact CE2-CD1 4.41Å; F397-L406 HydrophobicContact CE2-CD2 4.23Å; F397-L406 HydrophobicContact CZ-CD1 4.4Å; F397-L406 HydrophobicContact CZ-CD2 3.63Å; L406-L432 HydrophobicContact CD2-CD1 4.48Å; L406-L432 HydrophobicContact CD2-CD2 4.21Å; L406-L465 PolarHBondContact N-O 2.94Å; L406-L465 PolarHBondContact O-N 3.44Å; L406-L468 HydrophobicContact CB-CD2 4.14Å; L406-L468 HydrophobicContact CD2-CD2 4.24Å; L406-T494 HydrophobicContact CD1-CG2 3.68Å |
| 407 | I | 95.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 114.6 | 166 | -56.5 | 135.8 | 0 | 0 | 0 | 107.5 | V191 Y346 Y357 L462 Y464 Y493 | V191-I407 HydrophobicContact CG1-CG2 4.38Å; Y346-I407 HydrophobicContact CD1-CD1 4.19Å; Y346-I407 HydrophobicContact CE1-CD1 3.47Å; Y346-I407 VanDerWaalsContact CE1-CD1 3.47Å; Y346-I407 HydrophobicContact CE2-CD1 4.17Å; Y346-I407 HydrophobicContact CE2-CG2 4.1Å; Y346-I407 VanDerWaalsContact CZ-CD1 3.46Å; Y346-I407 WeakPolarHBondContact OH-CD1 3.38Å; Y357-I407 HydrophobicContact CD1-CD1 4.25Å; Y357-I407 HydrophobicContact CE1-CD1 3.64Å; I407-L462 HydrophobicContact CG2-CD1 3.84Å; I407-Y464 HydrophobicContact CB-CD2 4.44Å; I407-Y464 HydrophobicContact CD1-CE2 4.35Å; I407-Y464 HydrophobicContact CG1-CD2 3.47Å; I407-Y464 VanDerWaalsContact CG1-CD2 3.47Å; I407-Y464 HydrophobicContact CG1-CE2 3.65Å; I407-Y493 HydrophobicContact CB-CD2 4.46Å; I407-Y493 HydrophobicContact CG2-CD2 4.27Å; I407-Y493 PolarHBondContact N-O 3.04Å; I407-Y493 PolarHBondContact O-N 2.84Å |
| 408 | A | 97.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 115.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L430 L463 I475 R491 L492 | A408-L430 HydrophobicContact CB-CD1 3.92Å; A408-L430 WeakPolarHBondContact O-CD1 3.47Å; A408-L463 HydrophobicContact CB-CB 4.3Å; A408-L463 PolarHBondContact N-O 2.89Å; A408-L463 PolarHBondContact O-N 2.89Å; A408-I475 HydrophobicContact CB-CD1 3.27Å; A408-R491 CarbonylContact C-O 3.47Å; A408-R491 WeakPolarHBondContact CA-O 3.27Å; A408-L492 HydrophobicContact CB-CD2 3.6Å |
| 409 | S | 96.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.9 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | R491 | S409-R491 PolarHBondContact N-O 3.25Å; S409-R491 PolarHBondContact O-N 2.97Å; S409-R491 PolarHBondContact OG-NH2 2.94Å |
| 410 | L | 97.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.2 | 171.6 | 179.2 | 61.5 | 0 | 0 | 0 | 108.6 | W366 I428 G429 L430 S460 A461 P477 F488 | W366-L410 HydrophobicContact CH2-CD1 4.44Å; W366-L410 HydrophobicContact CH2-CD2 4.3Å; W366-L410 HydrophobicContact CZ2-CD1 4.31Å; W366-L410 HydrophobicContact CZ2-CD2 4.05Å; L410-I428 HydrophobicContact CD2-CB 4.16Å; L410-I428 HydrophobicContact CD2-CD1 4.27Å; L410-I428 HydrophobicContact CG-CD1 4.17Å; L410-G429 VanDerWaalsContact CD2-O 3.29Å; L410-G429 WeakPolarHBondContact CD2-O 3.17Å; L410-L430 HydrophobicContact CB-CD1 3.89Å; L410-L430 HydrophobicContact CB-CD2 4.04Å; L410-L430 HydrophobicContact CB-CG 3.9Å; L410-L430 HydrophobicContact CD2-CD2 4.16Å; L410-L430 HydrophobicContact CD2-CG 4.16Å; L410-S460 CarbonylContact O-C 3.49Å; L410-S460 WeakPolarHBondContact O-CA 3.31Å; L410-S460 VanDerWaalsContact O-CB 3.3Å; L410-S460 WeakPolarHBondContact O-CB 3.42Å; L410-A461 PolarHBondContact N-O 2.86Å; L410-A461 PolarHBondContact O-N 3.05Å; L410-P477 HydrophobicContact CD1-CB 3.57Å; L410-P477 HydrophobicContact CD2-CB 3.82Å; L410-P477 HydrophobicContact CG-CB 4.32Å; L410-F488 HydrophobicContact CD1-CB 3.82Å; L410-F488 HydrophobicContact CD1-CD2 3.63Å; L410-F488 HydrophobicContact CD1-CG 3.91Å |
| 411 | M | 95.3 | Very high | 84.6 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.7 | 175.6 | -174.2 | -175.8 | -177.9 | 0 | 0 | 108.8 | W124 F126 E459 F488 M489 | W124-M411 HydrophobicContact CH2-SD 3.89Å; W124-M411 HydrophobicContact CZ3-CE 4.11Å; W124-M411 HydrophobicContact CZ3-SD 3.62Å; F126-M411 HydrophobicContact CD2-CG 4.23Å; F126-M411 HydrophobicContact CD2-SD 4.07Å; F126-M411 WeakPolarHBondContact CE2-O 3.32Å; M411-E459 CarbonylContact C-O 3.54Å; M411-E459 WeakPolarHBondContact CA-O 3.45Å; M411-E459 HydrophobicContact CE-CG 3.82Å; M411-E459 WeakPolarHBondContact CE-OE1 3.46Å; M411-E459 HydrophobicContact CG-CG 4.23Å; M411-F488 CarbonylContact O-C 3.41Å; M411-F488 WeakPolarHBondContact O-CA 3.23Å; M411-F488 WeakPolarHBondContact O-CB 3.45Å; M411-M489 HydrophobicContact CB-CE 3.88Å; M411-M489 PolarHBondContact N-O 3.45Å; M411-M489 PolarHBondContact O-N 2.98Å; M411-M489 HydrophobicContact SD-CE 3.96Å |
| 412 | Q | 94.3 | Very high | 83.8 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 151.6 | 169.1 | 64.3 | -172 | -72.4 | 0 | 0 | 110 | W366 G414 Y425 L426 I428 T458 E459 E487 | W366-Q412 HydrophobicContact CZ3-CB 4.24Å; Q412-G414 PolarHBondContact O-N 3.33Å; Q412-Y425 HydrophobicContact CG-CD1 4.05Å; Q412-L426 PolarHBondContact NE2-O 3.39Å; Q412-I428 HydrophobicContact CB-CD1 4.2Å; Q412-I428 HydrophobicContact CG-CD1 4.13Å; Q412-T458 PolarHBondContact NE2-O 2.9Å; Q412-E459 PolarHBondContact N-O 2.99Å; Q412-E487 WeakPolarHBondContact CA-O 3.43Å |
| 413 | R | 89.4 | Confident | 83.3 | Confident | 111 Ų | 111 | 51.3 Ų | 51.3 | 42% | 0.419 | 25% | 0.247 | S | C | . | . | trans | -69.9 | 108.1 | 178.7 | -174 | 174.7 | -74.3 | 178.6 | -7.2 | 109.7 | F126 L415 E487 | F126-R413 HydrophobicContact CD2-CB 4.13Å; F126-R413 HydrophobicContact CE1-CB 4.27Å; F126-R413 HydrophobicContact CE2-CB 3.82Å; F126-R413 VanDerWaalsContact CE2-N 3.33Å; F126-R413 HydrophobicContact CG-CB 4.48Å; F126-R413 HydrophobicContact CZ-CB 3.85Å; R413-L415 PolarHBondContact O-N 3.25Å; R413-E487 HydrophobicContact CB-CB 4.16Å; R413-E487 WeakPolarHBondContact CD-OE2 3.31Å; R413-E487 IonicContact CZ-OE1 4Å; R413-E487 IonicContact CZ-OE2 2.92Å; R413-E487 PolarHBondContact N-O 2.84Å; R413-E487 IonicContact NE-OE2 3.04Å; R413-E487 PolarHBondContact NE-OE2 3.03Å; R413-E487 VanDerWaalsContact NH1-CD 3.33Å; R413-E487 IonicContact NH1-OE1 3.95Å; R413-E487 PolarHBondContact NH1-OE1 2.85Å; R413-E487 IonicContact NH1-OE2 2.7Å; R413-E487 PolarHBondContact NH1-OE2 3.21Å | ||
| 414 | G | 74.7 | Confident | 82.9 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 10% | 0.103 | 25% | 0.25 | C | S | . | . | trans | -67 | 121.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R125 Q412 G416 | R125-G414 PolarHBondContact NH2-O 2.99Å; Q412-G414 PolarHBondContact O-N 3.33Å; G414-G416 PolarHBondContact O-N 3.12Å | ||
| 415 | L | 58.9 | Low | 82.7 | Confident | 102 Ų | 102 | 52 Ų | 52 | 53% | 0.534 | 25% | 0.252 | S | S | . | . | trans | -66 | 119 | 165.1 | -64.3 | 171.4 | 0 | 0 | 0 | 107 | R413 Q417 R418 | R413-L415 PolarHBondContact O-N 3.25Å; L415-Q417 PolarHBondContact O-N 3Å; L415-R418 HydrophobicContact CB-CB 4.29Å; L415-R418 WeakPolarHBondContact O-CB 3.4Å; L415-R418 PolarHBondContact O-N 3.02Å | ||
| 416 | G | 60.9 | Low | 82.8 | Confident | 23 Ų | 23 | 52 Ų | 52 | 24% | 0.237 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -31.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N169 G414 R418 | N169-G416 CarbonylContact O-C 3.59Å; G414-G416 PolarHBondContact O-N 3.12Å; G416-R418 VanDerWaalsContact C-N 3.32Å; G416-R418 PolarHBondContact O-N 3.25Å |
| 417 | Q | 60.9 | Low | 82.9 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 46% | 0.458 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5 | 176.9 | -60.1 | -174 | -7.4 | 0 | 0 | 115 | L415 R419 R420 Q421 | L415-Q417 PolarHBondContact O-N 3Å; Q417-R419 VanDerWaalsContact C-N 3.3Å; Q417-R419 PolarHBondContact O-N 2.81Å; Q417-R420 WeakPolarHBondContact O-CA 3.47Å; Q417-R420 WeakPolarHBondContact O-CB 3.07Å; Q417-R420 PolarHBondContact O-N 3.47Å; Q417-Q421 HydrophobicContact CB-CG 4.48Å; Q417-Q421 WeakPolarHBondContact O-CG 3.42Å; Q417-Q421 PolarHBondContact O-N 3.49Å |
| 418 | R | 73.2 | Confident | 83 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -46.9 | -175.6 | -179.3 | -178.7 | 74.1 | 85.2 | -8 | 112 | L415 G416 Q421 K422 S423 Y425 | L415-R418 HydrophobicContact CB-CB 4.29Å; L415-R418 WeakPolarHBondContact O-CB 3.4Å; L415-R418 PolarHBondContact O-N 3.02Å; G416-R418 VanDerWaalsContact C-N 3.32Å; G416-R418 PolarHBondContact O-N 3.25Å; R418-Q421 CarbonylContact O-C 3.56Å; R418-Q421 PolarHBondContact O-N 3.31Å; R418-K422 PolarHBondContact O-N 2.97Å; R418-S423 WeakPolarHBondContact CD-O 3.48Å; R418-S423 WeakPolarHBondContact CG-O 3.42Å; R418-S423 PolarHBondContact NH1-O 2.85Å; R418-S423 PolarHBondContact O-N 3.48Å; R418-Y425 VanDerWaalsContact CZ-CE2 3.49Å; R418-Y425 VanDerWaalsContact NE-CZ 3.25Å; R418-Y425 VanDerWaalsContact NH2-CE2 3.29Å |
| 419 | R | 74.8 | Confident | 83 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 15% | 0.151 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -37.6 | -179.2 | -60.3 | -167.1 | -165.4 | 150.3 | 11.9 | 111.8 | F39 S174 L175 S176 G178 E182 Q417 Q421 K422 | F39-R419 HydrophobicContact CZ-CB 3.95Å; S174-R419 WeakPolarHBondContact O-CD 3.32Å; S174-R419 PolarHBondContact O-NH1 2.88Å; L175-R419 VanDerWaalsContact C-NH1 3.31Å; L175-R419 PolarHBondContact O-NH1 2.92Å; S176-R419 WeakPolarHBondContact O-CD 3.17Å; S176-R419 PolarHBondContact O-NH1 3.21Å; G178-R419 VanDerWaalsContact CA-CZ 3.45Å; E182-R419 IonicContact OE2-NH2 3.27Å; E182-R419 PolarHBondContact OE2-NH2 3.41Å; Q417-R419 VanDerWaalsContact C-N 3.3Å; Q417-R419 PolarHBondContact O-N 2.81Å; R419-Q421 VanDerWaalsContact C-N 3.31Å; R419-Q421 PolarHBondContact O-N 2.98Å; R419-K422 PolarHBondContact O-N 3.26Å |
| 420 | R | 73.6 | Confident | 83.1 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -38.3 | 171.9 | -173.8 | 173.3 | -178.5 | 146.3 | 4 | 112.5 | F39 Q417 K422 | F39-R420 HydrophobicContact CB-CG 4.44Å; F39-R420 HydrophobicContact CD1-CB 3.52Å; F39-R420 HydrophobicContact CD1-CG 3.63Å; F39-R420 VanDerWaalsContact CE1-CA 3.43Å; F39-R420 HydrophobicContact CE1-CB 3.59Å; F39-R420 HydrophobicContact CE1-CG 4.24Å; F39-R420 HydrophobicContact CG-CB 4.44Å; F39-R420 HydrophobicContact CG-CG 4.29Å; F39-R420 PolarHBondContact O-NH2 2.98Å; Q417-R420 WeakPolarHBondContact O-CA 3.47Å; Q417-R420 WeakPolarHBondContact O-CB 3.07Å; Q417-R420 PolarHBondContact O-N 3.47Å; R420-K422 VanDerWaalsContact C-N 3.31Å |
| 421 | Q | 76.3 | Confident | 83.2 | Confident | 109 Ų | 109 | 54.1 Ų | 54.1 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.1 | 178.4 | -66.1 | 176.6 | -2.8 | 0 | 0 | 113.3 | Q417 R418 R419 S423 | Q417-Q421 HydrophobicContact CB-CG 4.48Å; Q417-Q421 WeakPolarHBondContact O-CG 3.42Å; Q417-Q421 PolarHBondContact O-N 3.49Å; R418-Q421 CarbonylContact O-C 3.56Å; R418-Q421 PolarHBondContact O-N 3.31Å; R419-Q421 VanDerWaalsContact C-N 3.31Å; R419-Q421 PolarHBondContact O-N 2.98Å; Q421-S423 PolarHBondContact O-N 2.6Å; Q421-S423 VanDerWaalsContact O-N 3.16Å |
| 422 | K | 75.4 | Confident | 83.3 | Confident | 191 Ų | 191 | 53.8 Ų | 53.8 | 83% | 0.83 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 31 | -173.9 | -59.2 | -177.4 | 177.7 | -177.6 | 0 | 113.7 | R418 R419 R420 | R418-K422 PolarHBondContact O-N 2.97Å; R419-K422 PolarHBondContact O-N 3.26Å; R420-K422 VanDerWaalsContact C-N 3.31Å |
| 423 | S | 80 | Confident | 83.5 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 141.5 | 178.4 | -179.3 | 0 | 0 | 0 | 0 | 111 | R418 Q421 | R418-S423 WeakPolarHBondContact CD-O 3.48Å; R418-S423 WeakPolarHBondContact CG-O 3.42Å; R418-S423 PolarHBondContact NH1-O 2.85Å; R418-S423 PolarHBondContact O-N 3.48Å; Q421-S423 PolarHBondContact O-N 2.6Å; Q421-S423 VanDerWaalsContact O-N 3.16Å |
| 424 | T | 84.1 | Confident | 83.8 | Confident | 115 Ų | 115 | 48.8 Ų | 48.8 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -84.7 | 161.3 | 168.4 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 425 | Y | 90.1 | Very high | 84.9 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 12% | 0.118 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 153.2 | 166.3 | -72.8 | -61.6 | 0 | 0 | 0 | 110 | E182 Q412 R418 E459 | E182-Y425 VanDerWaalsContact OE1-CE2 3.28Å; E182-Y425 WeakPolarHBondContact OE1-CE2 3.22Å; E182-Y425 PolarHBondContact OE1-OH 3.18Å; Q412-Y425 HydrophobicContact CG-CD1 4.05Å; R418-Y425 VanDerWaalsContact CZ-CE2 3.49Å; R418-Y425 VanDerWaalsContact NE-CZ 3.25Å; R418-Y425 VanDerWaalsContact NH2-CE2 3.29Å; Y425-E459 HydrophobicContact CE1-CB 4Å; Y425-E459 HydrophobicContact CE1-CG 4.13Å; Y425-E459 HydrophobicContact CE2-CB 4.02Å |
| 426 | L | 94.8 | Very high | 86.7 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 20% | 0.204 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 144.7 | 164.5 | -60.6 | 173.7 | 0 | 0 | 0 | 108.5 | W366 Q412 I428 T479 E484 E485 | W366-L426 HydrophobicContact CE3-CD1 4.3Å; W366-L426 HydrophobicContact CZ3-CD1 4.39Å; Q412-L426 PolarHBondContact NE2-O 3.39Å; L426-I428 HydrophobicContact CB-CG2 3.95Å; L426-I428 PolarHBondContact O-N 2.7Å; L426-T479 HydrophobicContact CB-CG2 4.32Å; L426-T479 HydrophobicContact CD1-CG2 3.9Å; L426-E484 HydrophobicContact CD2-CB 4.05Å; L426-E484 HydrophobicContact CD2-CG 4.28Å; L426-E485 WeakPolarHBondContact CD1-O 3.34Å |
| 427 | T | 97.2 | Very high | 88.3 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 28% | 0.276 | 22% | 0.215 | S | C | . | . | trans | -75.5 | 110.5 | 170.1 | -59.2 | 0 | 0 | 0 | 0 | 107.9 | A456 T479 F480 | T427-A456 WeakPolarHBondContact CA-O 3.35Å; T427-T479 CarbonylContact O-C 3.55Å; T427-T479 WeakPolarHBondContact O-CA 3.49Å; T427-F480 HydrophobicContact CG2-CB 3.6Å; T427-F480 HydrophobicContact CG2-CD2 4.46Å; T427-F480 HydrophobicContact CG2-CG 4.16Å; T427-F480 PolarHBondContact O-N 2.74Å | ||
| 428 | I | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 155.6 | -172.5 | 58.5 | 165.7 | 0 | 0 | 0 | 111.9 | W366 L410 Q412 L426 Y455 A456 A461 S478 T479 | W366-I428 HydrophobicContact CH2-CB 4.2Å; W366-I428 HydrophobicContact CH2-CG2 3.49Å; W366-I428 VanDerWaalsContact CH2-CG2 3.49Å; W366-I428 HydrophobicContact CZ2-CG2 4.26Å; W366-I428 HydrophobicContact CZ3-CG2 3.87Å; L410-I428 HydrophobicContact CD2-CB 4.16Å; L410-I428 HydrophobicContact CD2-CD1 4.27Å; L410-I428 HydrophobicContact CG-CD1 4.17Å; Q412-I428 HydrophobicContact CB-CD1 4.2Å; Q412-I428 HydrophobicContact CG-CD1 4.13Å; L426-I428 HydrophobicContact CB-CG2 3.95Å; L426-I428 PolarHBondContact O-N 2.7Å; I428-Y455 WeakPolarHBondContact O-CA 3.43Å; I428-A456 PolarHBondContact N-O 3.26Å; I428-A456 PolarHBondContact O-N 2.96Å; I428-A456 VanDerWaalsContact O-N 3.17Å; I428-A461 HydrophobicContact CG1-CB 4.31Å; I428-S478 WeakPolarHBondContact CA-O 3.43Å; I428-T479 HydrophobicContact CG2-CG2 4.4Å |
| 429 | G | 98.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 179.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L410 S453 S478 | L410-G429 VanDerWaalsContact CD2-O 3.29Å; L410-G429 WeakPolarHBondContact CD2-O 3.17Å; G429-S453 WeakPolarHBondContact CA-OG 3.12Å; G429-S478 PolarHBondContact N-O 3.45Å; G429-S478 PolarHBondContact O-N 3.04Å |
| 430 | L | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.9 | -178.4 | -70.1 | 161.7 | 0 | 0 | 0 | 109.9 | A408 L410 T452 S453 L463 I475 P477 L490 | A408-L430 HydrophobicContact CB-CD1 3.92Å; A408-L430 WeakPolarHBondContact O-CD1 3.47Å; L410-L430 HydrophobicContact CB-CD1 3.89Å; L410-L430 HydrophobicContact CB-CD2 4.04Å; L410-L430 HydrophobicContact CB-CG 3.9Å; L410-L430 HydrophobicContact CD2-CD2 4.16Å; L410-L430 HydrophobicContact CD2-CG 4.16Å; L430-T452 CarbonylContact O-C 3.44Å; L430-T452 VanDerWaalsContact O-CA 3.25Å; L430-T452 WeakPolarHBondContact O-CA 3.27Å; L430-S453 PolarHBondContact N-OG 3.43Å; L430-S453 PolarHBondContact O-N 2.91Å; L430-L463 HydrophobicContact CB-CB 4.18Å; L430-L463 HydrophobicContact CB-CD2 4.36Å; L430-L463 HydrophobicContact CD1-CB 3.89Å; L430-I475 HydrophobicContact CD1-CD1 4.33Å; L430-I475 HydrophobicContact CD2-CD1 3.95Å; L430-I475 HydrophobicContact CD2-CG1 3.93Å; L430-P477 HydrophobicContact CD2-CB 3.93Å; L430-L490 HydrophobicContact CD2-CD1 3.81Å |
| 431 | M | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.3 | 163.5 | 67.2 | -175.2 | -158.1 | 0 | 0 | 110.9 | V383 C389 L390 M446 L449 A451 T452 I475 I476 | V383-M431 HydrophobicContact CB-SD 4.31Å; C389-M431 HydrophobicContact CB-CE 4.4Å; L390-M431 HydrophobicContact CD2-CE 3.73Å; M431-M446 HydrophobicContact CE-CE 3.83Å; M431-M446 HydrophobicContact SD-CE 4.39Å; M431-L449 HydrophobicContact CB-CD1 4.08Å; M431-A451 WeakPolarHBondContact CA-O 3.13Å; M431-T452 HydrophobicContact CB-CG2 3.96Å; M431-I475 WeakPolarHBondContact O-CA 3.39Å; M431-I476 HydrophobicContact CE-CB 3.91Å; M431-I476 HydrophobicContact CE-CD1 3.35Å; M431-I476 HydrophobicContact CE-CG1 4.15Å; M431-I476 HydrophobicContact CE-CG2 3.86Å; M431-I476 HydrophobicContact CG-CB 3.69Å; M431-I476 HydrophobicContact CG-CD1 4.49Å; M431-I476 HydrophobicContact CG-CG1 4.46Å; M431-I476 HydrophobicContact CG-CG2 4.27Å; M431-I476 PolarHBondContact N-O 2.86Å; M431-I476 PolarHBondContact O-N 2.98Å |
| 432 | L | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.3 | 179.7 | -174.3 | 69.6 | 0 | 0 | 0 | 109.5 | F397 L406 V450 A451 L463 L465 L468 Y473 I475 | F397-L432 HydrophobicContact CE1-CD1 3.56Å; F397-L432 HydrophobicContact CZ-CD1 3.66Å; L406-L432 HydrophobicContact CD2-CD1 4.48Å; L406-L432 HydrophobicContact CD2-CD2 4.21Å; L432-V450 HydrophobicContact CB-CB 4.42Å; L432-V450 HydrophobicContact CD2-CB 4.24Å; L432-V450 HydrophobicContact CD2-CG1 4.02Å; L432-V450 HydrophobicContact CG-CB 4.27Å; L432-V450 WeakPolarHBondContact O-CB 3.41Å; L432-V450 PolarHBondContact O-N 2.96Å; L432-A451 PolarHBondContact N-O 3.09Å; L432-A451 PolarHBondContact O-N 2.82Å; L432-L463 HydrophobicContact CB-CD2 3.97Å; L432-L465 HydrophobicContact CD2-CD1 3.38Å; L432-L468 HydrophobicContact CD2-CD1 4.01Å; L432-L468 HydrophobicContact CD2-CD2 4.44Å; L432-Y473 HydrophobicContact CD1-CD1 4.28Å; L432-Y473 HydrophobicContact CD1-CG 4.32Å; L432-Y473 HydrophobicContact CD2-CD1 4.09Å; L432-Y473 HydrophobicContact CG-CD1 4.01Å; L432-I475 HydrophobicContact CD1-CB 4.01Å; L432-I475 HydrophobicContact CD1-CG1 4.49Å |
| 433 | V | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.1 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 109 | V435 L443 M446 T448 L449 Y473 V474 I476 | V433-V435 HydrophobicContact CG1-CG1 4.1Å; V433-L443 HydrophobicContact CG1-CD2 3.99Å; V433-M446 HydrophobicContact CG2-SD 3.93Å; V433-T448 WeakPolarHBondContact CA-O 3.5Å; V433-L449 HydrophobicContact CG2-CD1 4.33Å; V433-Y473 CarbonylContact O-C 3.58Å; V433-Y473 VanDerWaalsContact O-CA 3.23Å; V433-Y473 WeakPolarHBondContact O-CA 3.25Å; V433-V474 PolarHBondContact N-O 2.73Å; V433-V474 PolarHBondContact O-N 2.72Å; V433-I476 HydrophobicContact CG2-CD1 4.43Å |
| 434 | K | 97.1 | Very high | 95.3 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 9% | 0.087 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.1 | 169.7 | -178.2 | 174.6 | 170.7 | 67.1 | 0 | 109 | S447 T448 V450 R470 Y473 D568 | K434-S447 WeakPolarHBondContact O-CB 3.24Å; K434-S447 PolarHBondContact O-OG 2.66Å; K434-T448 PolarHBondContact N-O 2.93Å; K434-V450 HydrophobicContact CB-CG2 3.69Å; K434-R470 PolarHBondContact NZ-O 2.96Å; K434-Y473 HydrophobicContact CB-CD1 4Å; K434-Y473 HydrophobicContact CB-CE1 3.81Å; K434-Y473 HydrophobicContact CD-CE1 4.48Å; K434-Y473 HydrophobicContact CG-CE1 4.15Å; K434-D568 VanDerWaalsContact CE-OD2 3.25Å; K434-D568 WeakPolarHBondContact CE-OD2 3.26Å |
| 435 | V | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 177.9 | -174.9 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | V433 R439 L443 R472 V474 | V433-V435 HydrophobicContact CG1-CG1 4.1Å; V435-R439 HydrophobicContact CG2-CB 4.2Å; V435-L443 HydrophobicContact CG1-CD1 4.07Å; V435-L443 HydrophobicContact CG1-CD2 3.74Å; V435-L443 HydrophobicContact CG1-CG 4.25Å; V435-R472 HydrophobicContact CG2-CB 4.01Å; V435-R472 HydrophobicContact CG2-CG 3.57Å; V435-R472 PolarHBondContact N-O 2.55Å; V435-V474 HydrophobicContact CG1-CB 4.31Å; V435-V474 HydrophobicContact CG1-CG2 3.89Å; V435-V474 HydrophobicContact CG2-CG2 3.93Å |
| 436 | E | 96.5 | Very high | 95.6 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | trans | -64.4 | 136.9 | 176.7 | -52.7 | 89.4 | 158.1 | 0 | 0 | 111.4 | N438 R439 R472 Q525 Q570 I572 | E436-N438 PolarHBondContact O-N 3.37Å; E436-R439 HydrophobicContact CB-CB 4.49Å; E436-R439 VanDerWaalsContact O-CB 3.31Å; E436-R439 WeakPolarHBondContact O-CB 3.5Å; E436-R439 PolarHBondContact O-N 2.83Å; E436-R439 IonicContact OE1-NH2 3.72Å; E436-R439 PolarHBondContact OE1-NH2 3.46Å; E436-R439 IonicContact OE2-CZ 3.31Å; E436-R439 IonicContact OE2-NE 3.17Å; E436-R439 PolarHBondContact OE2-NE 3.48Å; E436-R439 IonicContact OE2-NH2 3.21Å; E436-R439 PolarHBondContact OE2-NH2 2.9Å; E436-R472 WeakPolarHBondContact O-CD 3.47Å; E436-Q525 PolarHBondContact OE1-NE2 3.25Å; E436-Q570 CarbonylContact C-O 3.59Å; E436-Q570 VanDerWaalsContact CA-O 3.29Å; E436-Q570 WeakPolarHBondContact CA-O 3.33Å; E436-Q570 HydrophobicContact CB-CB 4.29Å; E436-Q570 HydrophobicContact CG-CB 4.07Å; E436-I572 HydrophobicContact CB-CB 3.95Å; E436-I572 HydrophobicContact CB-CG2 3.85Å; E436-I572 HydrophobicContact CG-CB 3.83Å; E436-I572 HydrophobicContact CG-CG2 4.24Å | ||
| 437 | D | 95.7 | Very high | 95.3 | Very high | 36 Ų | 36 | 25.3 Ų | 25.3 | 19% | 0.193 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.9 | -170.4 | -78.3 | 2.8 | 0 | 0 | 0 | 113.3 | R472 V554 L569 Q570 | D437-R472 PolarHBondContact O-NE 2.84Å; D437-R472 PolarHBondContact O-NH1 3.41Å; D437-R472 PolarHBondContact O-NH2 2.95Å; D437-R472 PolarHBondContact OD1-N 2.82Å; D437-V554 HydrophobicContact CB-CG1 3.86Å; D437-L569 HydrophobicContact CB-CD1 4.32Å; D437-L569 VanDerWaalsContact OD2-CD1 3.31Å; D437-L569 WeakPolarHBondContact OD2-CD1 3.49Å; D437-Q570 PolarHBondContact N-O 2.91Å |
| 438 | N | 96 | Very high | 95.1 | Very high | 30 Ų | 30 | 26.9 Ų | 26.9 | 16% | 0.16 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 11.3 | 175.7 | 72 | -36 | 0 | 0 | 0 | 114.2 | E436 I440 V554 I572 | E436-N438 PolarHBondContact O-N 3.37Å; N438-I440 PolarHBondContact O-N 3.47Å; N438-V554 HydrophobicContact CB-CG1 4.44Å; N438-V554 HydrophobicContact CB-CG2 3.63Å; N438-V554 VanDerWaalsContact CG-CG2 3.49Å; N438-I572 PolarHBondContact ND2-O 2.7Å; N438-I572 PolarHBondContact OD1-N 2.88Å; N438-I572 PolarHBondContact OD1-O 3.24Å |
| 439 | R | 95.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | trans | -59.8 | 132.1 | 177.7 | 177.7 | 170.3 | -67.8 | -95.8 | 1.4 | 111.8 | V435 E436 Y441 R442 R472 I572 L648 | V435-R439 HydrophobicContact CG2-CB 4.2Å; E436-R439 HydrophobicContact CB-CB 4.49Å; E436-R439 VanDerWaalsContact O-CB 3.31Å; E436-R439 WeakPolarHBondContact O-CB 3.5Å; E436-R439 PolarHBondContact O-N 2.83Å; E436-R439 IonicContact OE1-NH2 3.72Å; E436-R439 PolarHBondContact OE1-NH2 3.46Å; E436-R439 IonicContact OE2-CZ 3.31Å; E436-R439 IonicContact OE2-NE 3.17Å; E436-R439 PolarHBondContact OE2-NE 3.48Å; E436-R439 IonicContact OE2-NH2 3.21Å; E436-R439 PolarHBondContact OE2-NH2 2.9Å; R439-Y441 WeakPolarHBondContact CD-O 3.38Å; R439-Y441 VanDerWaalsContact CG-O 3.24Å; R439-Y441 WeakPolarHBondContact CG-O 3.38Å; R439-R442 PolarHBondContact NH1-O 3.4Å; R439-R472 PolarHBondContact O-NH1 2.81Å; R439-I572 HydrophobicContact CB-CG2 4.26Å; R439-I572 VanDerWaalsContact NH2-CD1 3.25Å; R439-L648 PolarHBondContact NH1-OXT 3.29Å; R439-L648 PolarHBondContact NH2-OXT 2.78Å | ||
| 440 | I | 94.6 | Very high | 95 | Very high | 93 Ų | 93 | 33.2 Ų | 33.2 | 48% | 0.477 | 17% | 0.172 | S | C | . | . | trans | -132.6 | -6 | 175.1 | 61.9 | 170.3 | 0 | 0 | 0 | 113.7 | N438 L503 | N438-I440 PolarHBondContact O-N 3.47Å; I440-L503 WeakPolarHBondContact O-CD2 3.49Å | ||
| 441 | Y | 94.2 | Very high | 95 | Very high | 46 Ų | 46 | 34.1 Ų | 34.1 | 18% | 0.18 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -109.1 | 159.1 | 176.9 | -58.6 | -70.7 | 0 | 0 | 0 | 110.4 | R439 L503 L505 P508 V574 L648 | R439-Y441 WeakPolarHBondContact CD-O 3.38Å; R439-Y441 VanDerWaalsContact CG-O 3.24Å; R439-Y441 WeakPolarHBondContact CG-O 3.38Å; Y441-L503 WeakPolarHBondContact O-CD1 3.24Å; Y441-L505 WeakPolarHBondContact CA-O 3.4Å; Y441-L505 HydrophobicContact CD1-CB 3.76Å; Y441-L505 HydrophobicContact CE1-CB 4.11Å; Y441-L505 HydrophobicContact CE1-CD1 4.2Å; Y441-P508 HydrophobicContact CE1-CG 4.35Å; Y441-P508 HydrophobicContact CE2-CG 3.99Å; Y441-V574 HydrophobicContact CD2-CG2 4.41Å; Y441-V574 HydrophobicContact CE2-CG2 3.98Å; Y441-L648 HydrophobicContact CD2-CD1 4.04Å; Y441-L648 HydrophobicContact CG-CD1 4.15Å |
| 442 | R | 95.1 | Very high | 95 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | trans | -58 | 150.5 | 177.2 | -66.6 | 170.5 | 55.4 | 72.9 | 5.5 | 111.2 | L390 R391 N392 Q394 R439 L503 L505 D506 | L390-R442 PolarHBondContact O-NH2 3.16Å; R391-R442 PolarHBondContact O-NH2 2.8Å; N392-R442 PolarHBondContact O-NH1 3.47Å; N392-R442 PolarHBondContact O-NH2 3.41Å; Q394-R442 VanDerWaalsContact OE1-CA 3.28Å; R439-R442 PolarHBondContact NH1-O 3.4Å; R442-L503 VanDerWaalsContact CD-O 3.24Å; R442-L503 WeakPolarHBondContact CD-O 3.32Å; R442-L503 HydrophobicContact CG-CB 3.75Å; R442-L503 WeakPolarHBondContact CG-O 3.47Å; R442-L503 PolarHBondContact NH1-O 3.03Å; R442-L505 PolarHBondContact N-O 3.23Å; R442-D506 WeakPolarHBondContact CD-OD1 3.18Å; R442-D506 IonicContact NE-OD1 3.4Å; R442-D506 PolarHBondContact NE-OD1 3.32Å | ||
| 443 | L | 94.2 | Very high | 95 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -79.8 | 138.4 | 167.6 | -64.8 | 91.8 | 0 | 0 | 0 | 109.8 | L390 Q394 V433 V435 V474 L503 | L390-L443 WeakPolarHBondContact CB-O 3.41Å; L390-L443 HydrophobicContact CD1-CB 4.08Å; L390-L443 HydrophobicContact CD2-CB 4.22Å; Q394-L443 PolarHBondContact NE2-O 2.92Å; V433-L443 HydrophobicContact CG1-CD2 3.99Å; V435-L443 HydrophobicContact CG1-CD1 4.07Å; V435-L443 HydrophobicContact CG1-CD2 3.74Å; V435-L443 HydrophobicContact CG1-CG 4.25Å; L443-V474 HydrophobicContact CD1-CB 3.83Å; L443-V474 HydrophobicContact CD1-CG1 3.84Å; L443-V474 HydrophobicContact CD1-CG2 3.66Å; L443-L503 HydrophobicContact CD1-CD1 4.35Å | ||
| 444 | H | 91.5 | Very high | 94.8 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -118.7 | -17.5 | 168.3 | -60.8 | -64.8 | 0 | 0 | 0 | 112.1 | W375 L390 D506 Y646 L648 | W375-H444 AromaticContact CE3-CE1 3.84Å; W375-H444 AromaticContact CE3-ND1 3.96Å; W375-H444 AromaticContact CH2-ND1 3.67Å; W375-H444 AromaticContact CZ3-CE1 3.43Å; W375-H444 VanDerWaalsContact CZ3-CE1 3.43Å; W375-H444 WeakPolarHBondContact CZ3-CE1 3.39Å; W375-H444 AromaticContact CZ3-ND1 3.12Å; W375-H444 WeakPolarHBondContact CZ3-ND1 3.35Å; L390-H444 VanDerWaalsContact CD1-C 3.5Å; H444-D506 IonicContact CE1-OD1 2.74Å; H444-D506 PolarHBondContact CE1-OD1 2.82Å; H444-D506 VanDerWaalsContact CE1-OD1 3.22Å; H444-D506 PolarHBondContact NE2-O 3.04Å; H444-D506 IonicContact NE2-OD1 3.85Å; H444-Y646 WeakPolarHBondContact CB-O 3.48Å; H444-Y646 AromaticContact NE2-CD1 3.97Å; H444-L648 PolarHBondContact N-O 3.32Å |
| 445 | K | 89.5 | Confident | 94.8 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -115.9 | 136.6 | 172.9 | -171.6 | 172.7 | -177.6 | 173.7 | 0 | 111 | S447 | K445-S447 PolarHBondContact O-N 2.7Š|
| 446 | M | 90.7 | Very high | 94.7 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | trans | -67.2 | 126.3 | 179.1 | -170 | 60.8 | 70.4 | 0 | 0 | 110 | V383 C389 L390 M431 V433 | V383-M446 HydrophobicContact CG2-CE 4.33Å; C389-M446 WeakPolarHBondContact SG-CE 3.5Å; L390-M446 HydrophobicContact CD1-CB 4.42Å; L390-M446 HydrophobicContact CD1-CE 4.44Å; L390-M446 HydrophobicContact CD2-CE 3.74Å; L390-M446 HydrophobicContact CD2-SD 4.2Å; L390-M446 HydrophobicContact CG-CE 4.04Å; M431-M446 HydrophobicContact CE-CE 3.83Å; M431-M446 HydrophobicContact SD-CE 4.39Å; V433-M446 HydrophobicContact CG2-SD 3.93Å | ||
| 447 | S | 88 | Confident | 94.5 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | trans | -93.9 | -154.9 | 171.2 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | K434 K445 L449 | K434-S447 WeakPolarHBondContact O-CB 3.24Å; K434-S447 PolarHBondContact O-OG 2.66Å; K445-S447 PolarHBondContact O-N 2.7Å; S447-L449 PolarHBondContact O-N 3.04Å; S447-L449 VanDerWaalsContact O-N 3.08Å | ||
| 448 | T | 93.7 | Very high | 94.2 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 105.8 | 175.6 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | V433 K434 V450 | V433-T448 WeakPolarHBondContact CA-O 3.5Å; K434-T448 PolarHBondContact N-O 2.93Å; T448-V450 PolarHBondContact O-N 2.83Å |
| 449 | L | 97.2 | Very high | 93.9 | Very high | 73 Ų | 73 | 50 Ų | 50 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 120.9 | 166.5 | -176.5 | 66.8 | 0 | 0 | 0 | 109.2 | V383 M431 V433 S447 T452 | V383-L449 HydrophobicContact CG2-CD2 4.08Å; M431-L449 HydrophobicContact CB-CD1 4.08Å; V433-L449 HydrophobicContact CG2-CD1 4.33Å; S447-L449 PolarHBondContact O-N 3.04Å; S447-L449 VanDerWaalsContact O-N 3.08Å; L449-T452 HydrophobicContact CD1-CG2 4.15Å; L449-T452 HydrophobicContact CD2-CG2 4.26Å |
| 450 | V | 97.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -45.9 | -176.4 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | L432 K434 T448 L468 Y473 | L432-V450 HydrophobicContact CB-CB 4.42Å; L432-V450 HydrophobicContact CD2-CB 4.24Å; L432-V450 HydrophobicContact CD2-CG1 4.02Å; L432-V450 HydrophobicContact CG-CB 4.27Å; L432-V450 WeakPolarHBondContact O-CB 3.41Å; L432-V450 PolarHBondContact O-N 2.96Å; K434-V450 HydrophobicContact CB-CG2 3.69Å; T448-V450 PolarHBondContact O-N 2.83Å; V450-L468 HydrophobicContact CG1-CD1 4.19Å; V450-Y473 HydrophobicContact CG1-CE1 4.36Å; V450-Y473 HydrophobicContact CG2-CD1 4.02Å; V450-Y473 HydrophobicContact CG2-CE1 3.74Å |
| 451 | A | 97.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 161.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M431 L432 L463 L465 | M431-A451 WeakPolarHBondContact CA-O 3.13Å; L432-A451 PolarHBondContact N-O 3.09Å; L432-A451 PolarHBondContact O-N 2.82Å; A451-L463 HydrophobicContact CB-CD1 4.03Å; A451-L465 HydrophobicContact CB-CD1 3.93Å; A451-L465 HydrophobicContact CB-CD2 3.76Å; A451-L465 HydrophobicContact CB-CG 4.42Å |
| 452 | T | 98 | Very high | 93.8 | Very high | 64 Ų | 64 | 47 Ų | 47 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149 | 165.6 | 55.9 | 0 | 0 | 0 | 0 | 108.8 | L430 M431 L449 | L430-T452 CarbonylContact O-C 3.44Å; L430-T452 VanDerWaalsContact O-CA 3.25Å; L430-T452 WeakPolarHBondContact O-CA 3.27Å; M431-T452 HydrophobicContact CB-CG2 3.96Å; L449-T452 HydrophobicContact CD1-CG2 4.15Å; L449-T452 HydrophobicContact CD2-CG2 4.26Å |
| 453 | S | 97.2 | Very high | 93.9 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 168.8 | 162.3 | 70.8 | 0 | 0 | 0 | 0 | 109.9 | G429 L430 L462 | G429-S453 WeakPolarHBondContact CA-OG 3.12Å; L430-S453 PolarHBondContact N-OG 3.43Å; L430-S453 PolarHBondContact O-N 2.91Å; S453-L462 VanDerWaalsContact CB-O 3.26Å; S453-L462 WeakPolarHBondContact CB-O 3.47Å |
| 454 | D | 94.7 | Very high | 93.9 | Very high | 146 Ų | 146 | 50.9 Ų | 50.9 | 78% | 0.781 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 141 | 157.2 | -65.8 | -34.2 | 0 | 0 | 0 | 109.3 | ||
| 455 | Y | 97.1 | Very high | 94 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 126 | 171.7 | -82 | -106.4 | 0 | 0 | 0 | 108.3 | C382 I428 S478 F480 | C382-Y455 HydrophobicContact CB-CD1 4.15Å; C382-Y455 HydrophobicContact CB-CE1 3.51Å; C382-Y455 HydrophobicContact CB-CE2 4.25Å; I428-Y455 WeakPolarHBondContact O-CA 3.43Å; Y455-S478 WeakPolarHBondContact CE1-OG 3.08Å; Y455-S478 PolarHBondContact OH-OG 2.97Å; Y455-F480 HydrophobicContact CD1-CB 4.07Å; Y455-F480 HydrophobicContact CD1-CD2 4.03Å; Y455-F480 HydrophobicContact CG-CD2 4.11Å |
| 456 | A | 93.5 | Very high | 94 | Very high | 36 Ų | 36 | 51 Ų | 51 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -145.2 | 148.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T427 I428 T458 | T427-A456 WeakPolarHBondContact CA-O 3.35Å; I428-A456 PolarHBondContact N-O 3.26Å; I428-A456 PolarHBondContact O-N 2.96Å; I428-A456 VanDerWaalsContact O-N 3.17Å; A456-T458 HydrophobicContact CB-CG2 4.01Å; A456-T458 PolarHBondContact O-N 3.12Å |
| 457 | A | 92.2 | Very high | 94.1 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -79.3 | 60.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 458 | T | 89.5 | Confident | 94.5 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -127.6 | 161.5 | -174.9 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | Q412 A456 S460 | Q412-T458 PolarHBondContact NE2-O 2.9Å; A456-T458 HydrophobicContact CB-CG2 4.01Å; A456-T458 PolarHBondContact O-N 3.12Å; T458-S460 PolarHBondContact O-N 2.93Å; T458-S460 PolarHBondContact OG1-O 3.29Å |
| 459 | E | 90.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -60.4 | -31.4 | 177.4 | -166.2 | 176.8 | -155.4 | 0 | 0 | 112 | R125 E182 M411 Q412 Y425 | R125-E459 IonicContact NH1-OE1 3.39Å; R125-E459 PolarHBondContact NH1-OE1 3.05Å; R125-E459 VanDerWaalsContact NH1-OE1 3.17Å; E182-E459 HydrophobicContact CG-CB 4.45Å; E182-E459 WeakPolarHBondContact CG-OE2 2.8Å; M411-E459 CarbonylContact C-O 3.54Å; M411-E459 WeakPolarHBondContact CA-O 3.45Å; M411-E459 HydrophobicContact CE-CG 3.82Å; M411-E459 WeakPolarHBondContact CE-OE1 3.46Å; M411-E459 HydrophobicContact CG-CG 4.23Å; Q412-E459 PolarHBondContact N-O 2.99Å; Y425-E459 HydrophobicContact CE1-CB 4Å; Y425-E459 HydrophobicContact CE1-CG 4.13Å; Y425-E459 HydrophobicContact CE2-CB 4.02Å |
| 460 | S | 92.5 | Very high | 94.3 | Very high | 30 Ų | 30 | 58.2 Ų | 58.2 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.4 | 179.3 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | P192 L410 T458 | P192-S460 WeakPolarHBondContact CG-OG 3.39Å; L410-S460 CarbonylContact O-C 3.49Å; L410-S460 WeakPolarHBondContact O-CA 3.31Å; L410-S460 VanDerWaalsContact O-CB 3.3Å; L410-S460 WeakPolarHBondContact O-CB 3.42Å; T458-S460 PolarHBondContact O-N 2.93Å; T458-S460 PolarHBondContact OG1-O 3.29Å |
| 461 | A | 94.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L410 I428 | L410-A461 PolarHBondContact N-O 2.86Å; L410-A461 PolarHBondContact O-N 3.05Å; I428-A461 HydrophobicContact CG1-CB 4.31Å |
| 462 | L | 95.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.1 | -177.2 | -171.1 | 74.5 | 0 | 0 | 0 | 110.8 | V191 F193 I407 S453 | V191-L462 HydrophobicContact CG1-CD1 3.42Å; V191-L462 VanDerWaalsContact CG1-CD1 3.42Å; F193-L462 HydrophobicContact CB-CD2 4.38Å; F193-L462 HydrophobicContact CD2-CD2 3.25Å; F193-L462 HydrophobicContact CE2-CD2 3.71Å; F193-L462 HydrophobicContact CG-CD2 4.11Å; I407-L462 HydrophobicContact CG2-CD1 3.84Å; S453-L462 VanDerWaalsContact CB-O 3.26Å; S453-L462 WeakPolarHBondContact CB-O 3.47Å |
| 463 | L | 96.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 112.7 | 163.1 | 177.7 | 62.2 | 0 | 0 | 0 | 108.4 | A408 L430 L432 A451 L465 I475 | A408-L463 HydrophobicContact CB-CB 4.3Å; A408-L463 PolarHBondContact N-O 2.89Å; A408-L463 PolarHBondContact O-N 2.89Å; L430-L463 HydrophobicContact CB-CB 4.18Å; L430-L463 HydrophobicContact CB-CD2 4.36Å; L430-L463 HydrophobicContact CD1-CB 3.89Å; L432-L463 HydrophobicContact CB-CD2 3.97Å; A451-L463 HydrophobicContact CB-CD1 4.03Å; L463-L465 HydrophobicContact CD1-CD1 4.38Å; L463-L465 HydrophobicContact CD1-CD2 4.03Å; L463-L465 HydrophobicContact CD1-CG 4.03Å; L463-L465 HydrophobicContact CD2-CD1 4.3Å; L463-L465 HydrophobicContact CG-CD1 4.31Å; L463-L465 HydrophobicContact CG-CG 4.15Å; L463-I475 HydrophobicContact CD2-CD1 4.36Å |
| 464 | Y | 94 | Very high | 94.2 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 31% | 0.306 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.5 | 176.8 | 178.9 | -125.5 | 0 | 0 | 0 | 110.1 | F193 E405 I407 K466 | F193-Y464 HydrophobicContact CE2-CD1 4.03Å; F193-Y464 HydrophobicContact CE2-CG 4.32Å; E405-Y464 HydrophobicContact CG-CE2 3.78Å; E405-Y464 VanDerWaalsContact OE1-CE2 3.31Å; E405-Y464 WeakPolarHBondContact OE1-CE2 3.27Å; E405-Y464 PolarHBondContact OE1-OH 3Å; I407-Y464 HydrophobicContact CB-CD2 4.44Å; I407-Y464 HydrophobicContact CD1-CE2 4.35Å; I407-Y464 HydrophobicContact CG1-CD2 3.47Å; I407-Y464 VanDerWaalsContact CG1-CD2 3.47Å; I407-Y464 HydrophobicContact CG1-CE2 3.65Å; Y464-K466 HydrophobicContact CE1-CD 4.36Å; Y464-K466 HydrophobicContact CE1-CG 4.09Å; Y464-K466 WeakPolarHBondContact OH-CE 3.38Å |
| 465 | L | 94.8 | Very high | 94.4 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 17% | 0.173 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.1 | -179.7 | -62.2 | 176.1 | 0 | 0 | 0 | 110.1 | E405 L406 L432 A451 L463 L468 | E405-L465 WeakPolarHBondContact CA-O 3.39Å; L406-L465 PolarHBondContact N-O 2.94Å; L406-L465 PolarHBondContact O-N 3.44Å; L432-L465 HydrophobicContact CD2-CD1 3.38Å; A451-L465 HydrophobicContact CB-CD1 3.93Å; A451-L465 HydrophobicContact CB-CD2 3.76Å; A451-L465 HydrophobicContact CB-CG 4.42Å; L463-L465 HydrophobicContact CD1-CD1 4.38Å; L463-L465 HydrophobicContact CD1-CD2 4.03Å; L463-L465 HydrophobicContact CD1-CG 4.03Å; L463-L465 HydrophobicContact CD2-CD1 4.3Å; L463-L465 HydrophobicContact CG-CD1 4.31Å; L463-L465 HydrophobicContact CG-CG 4.15Å; L465-L468 HydrophobicContact CD1-CD1 4.32Å |
| 466 | K | 89.8 | Confident | 94.5 | Very high | 112 Ų | 112 | 43.9 Ų | 43.9 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 153.6 | 162.3 | -66.2 | -177.7 | 179.1 | 173.3 | 0 | 108.9 | Y464 L468 | Y464-K466 HydrophobicContact CE1-CD 4.36Å; Y464-K466 HydrophobicContact CE1-CG 4.09Å; Y464-K466 WeakPolarHBondContact OH-CE 3.38Å; K466-L468 PolarHBondContact O-N 3.49Å |
| 467 | N | 92.6 | Very high | 94.8 | Very high | 111 Ų | 111 | 42.2 Ų | 42.2 | 59% | 0.594 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 65.6 | 33.2 | 174 | -48.8 | -44.4 | 0 | 0 | 0 | 115.5 | S404 R469 | S404-N467 PolarHBondContact O-N 2.84Å; N467-R469 PolarHBondContact O-N 3.27Å |
| 468 | L | 95.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 131.3 | 176.2 | -167.4 | 61.1 | 0 | 0 | 0 | 109.8 | F397 V399 N403 S404 L406 L432 V450 L465 K466 Y473 | F397-L468 HydrophobicContact CE2-CD2 4.32Å; F397-L468 HydrophobicContact CZ-CD2 4.47Å; V399-L468 HydrophobicContact CG2-CD2 3.46Å; V399-L468 VanDerWaalsContact CG2-CD2 3.46Å; V399-L468 HydrophobicContact CG2-CG 3.99Å; N403-L468 PolarHBondContact N-O 3.36Å; N403-L468 VanDerWaalsContact N-O 3.13Å; S404-L468 PolarHBondContact N-O 2.96Å; S404-L468 WeakPolarHBondContact O-CB 3.13Å; S404-L468 PolarHBondContact O-N 3.22Å; L406-L468 HydrophobicContact CB-CD2 4.14Å; L406-L468 HydrophobicContact CD2-CD2 4.24Å; L432-L468 HydrophobicContact CD2-CD1 4.01Å; L432-L468 HydrophobicContact CD2-CD2 4.44Å; V450-L468 HydrophobicContact CG1-CD1 4.19Å; L465-L468 HydrophobicContact CD1-CD1 4.32Å; K466-L468 PolarHBondContact O-N 3.49Å; L468-Y473 HydrophobicContact CD1-CE1 3.85Å; L468-Y473 HydrophobicContact CD1-CE2 4.38Å; L468-Y473 HydrophobicContact CD2-CE2 4.37Å; L468-Y473 HydrophobicContact CG-CE2 4.2Å |
| 469 | R | 94.2 | Very high | 95.5 | Very high | 183 Ų | 183 | 36.9 Ų | 36.9 | 69% | 0.691 | 17% | 0.167 | S | C | * | . | P | Polyproline II helix | trans | -76.4 | 154.7 | 178.4 | -66.8 | -171.6 | 179.5 | -146.9 | -0.1 | 111.2 | V399 D402 N467 Y473 | V399-R469 WeakPolarHBondContact CG1-O 3.32Å; D402-R469 WeakPolarHBondContact OD1-CA 2.96Å; N467-R469 PolarHBondContact O-N 3.27Å; R469-Y473 VanDerWaalsContact O-CE2 3.27Å; R469-Y473 WeakPolarHBondContact O-CE2 3.37Å; R469-Y473 PolarHBondContact O-OH 2.91Å |
| 470 | R | 93.8 | Very high | 95.8 | Very high | 107 Ų | 107 | 40.7 Ų | 40.7 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -54.1 | 145.9 | 170.6 | 176.2 | -179.2 | 169.2 | 143.4 | -2.6 | 111.5 | V399 L400 D402 K434 | V399-R470 WeakPolarHBondContact O-CA 3.32Å; V399-R470 WeakPolarHBondContact O-CG 3.41Å; L400-R470 WeakPolarHBondContact O-CD 3.48Å; D402-R470 WeakPolarHBondContact OD1-CB 3.12Å; D402-R470 PolarHBondContact OD1-N 2.69Å; K434-R470 PolarHBondContact NZ-O 2.96Å |
| 471 | G | 94.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.3 | -175.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V399 Y473 | V399-G471 PolarHBondContact N-O 2.59Å; V399-G471 PolarHBondContact O-N 3.08Å; G471-Y473 WeakPolarHBondContact O-CD2 3.37Å |
| 472 | R | 97 | Very high | 96.2 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.2 | 172.8 | -174.9 | 164.5 | -77.2 | 170.9 | 9.2 | 111.7 | D398 V435 E436 D437 R439 | D398-R472 IonicContact OD1-CZ 3.69Å; D398-R472 VanDerWaalsContact OD1-CZ 3.31Å; D398-R472 IonicContact OD1-NE 2.82Å; D398-R472 PolarHBondContact OD1-NE 2.84Å; D398-R472 IonicContact OD1-NH2 2.7Å; D398-R472 PolarHBondContact OD1-NH2 2.96Å; D398-R472 IonicContact OD2-CZ 2.83Å; D398-R472 IonicContact OD2-NE 3.89Å; D398-R472 IonicContact OD2-NH2 2.9Å; D398-R472 PolarHBondContact OD2-NH2 3.02Å; V435-R472 HydrophobicContact CG2-CB 4.01Å; V435-R472 HydrophobicContact CG2-CG 3.57Å; V435-R472 PolarHBondContact N-O 2.55Å; E436-R472 WeakPolarHBondContact O-CD 3.47Å; D437-R472 PolarHBondContact O-NE 2.84Å; D437-R472 PolarHBondContact O-NH1 3.41Å; D437-R472 PolarHBondContact O-NH2 2.95Å; D437-R472 PolarHBondContact OD1-N 2.82Å; R439-R472 PolarHBondContact O-NH1 2.81Å |
| 473 | Y | 98.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 157.7 | 177.5 | -61.4 | -95.8 | 0 | 0 | 0 | 110.9 | R396 F397 V399 L432 V433 K434 V450 L468 R469 G471 | R396-Y473 CarbonylContact C-O 3.55Å; R396-Y473 VanDerWaalsContact CA-O 3.24Å; R396-Y473 WeakPolarHBondContact CA-O 3.37Å; F397-Y473 HydrophobicContact CE2-CD2 4.41Å; F397-Y473 HydrophobicContact CZ-CD2 4.47Å; F397-Y473 HydrophobicContact CZ-CG 4.24Å; F397-Y473 PolarHBondContact N-O 2.89Å; F397-Y473 PolarHBondContact O-N 3.19Å; V399-Y473 HydrophobicContact CB-CD2 4.31Å; V399-Y473 HydrophobicContact CB-CE2 3.91Å; V399-Y473 HydrophobicContact CG2-CD2 3.55Å; V399-Y473 HydrophobicContact CG2-CE2 3.46Å; V399-Y473 VanDerWaalsContact CG2-CE2 3.46Å; L432-Y473 HydrophobicContact CD1-CD1 4.28Å; L432-Y473 HydrophobicContact CD1-CG 4.32Å; L432-Y473 HydrophobicContact CD2-CD1 4.09Å; L432-Y473 HydrophobicContact CG-CD1 4.01Å; V433-Y473 CarbonylContact O-C 3.58Å; V433-Y473 VanDerWaalsContact O-CA 3.23Å; V433-Y473 WeakPolarHBondContact O-CA 3.25Å; K434-Y473 HydrophobicContact CB-CD1 4Å; K434-Y473 HydrophobicContact CB-CE1 3.81Å; K434-Y473 HydrophobicContact CD-CE1 4.48Å; K434-Y473 HydrophobicContact CG-CE1 4.15Å; V450-Y473 HydrophobicContact CG1-CE1 4.36Å; V450-Y473 HydrophobicContact CG2-CD1 4.02Å; V450-Y473 HydrophobicContact CG2-CE1 3.74Å; L468-Y473 HydrophobicContact CD1-CE1 3.85Å; L468-Y473 HydrophobicContact CD1-CE2 4.38Å; L468-Y473 HydrophobicContact CD2-CE2 4.37Å; L468-Y473 HydrophobicContact CG-CE2 4.2Å; R469-Y473 VanDerWaalsContact O-CE2 3.27Å; R469-Y473 WeakPolarHBondContact O-CE2 3.37Å; R469-Y473 PolarHBondContact O-OH 2.91Å; G471-Y473 WeakPolarHBondContact O-CD2 3.37Å |
| 474 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.8 | 167.5 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | Q394 Y395 R396 V433 V435 L443 I476 L503 | Q394-V474 HydrophobicContact CB-CG1 3.68Å; Q394-V474 HydrophobicContact CG-CG1 4.22Å; Y395-V474 CarbonylContact O-C 3.53Å; Y395-V474 WeakPolarHBondContact O-CA 3.27Å; R396-V474 HydrophobicContact CB-CG2 4.07Å; V433-V474 PolarHBondContact N-O 2.73Å; V433-V474 PolarHBondContact O-N 2.72Å; V435-V474 HydrophobicContact CG1-CB 4.31Å; V435-V474 HydrophobicContact CG1-CG2 3.89Å; V435-V474 HydrophobicContact CG2-CG2 3.93Å; L443-V474 HydrophobicContact CD1-CB 3.83Å; L443-V474 HydrophobicContact CD1-CG1 3.84Å; L443-V474 HydrophobicContact CD1-CG2 3.66Å; V474-I476 HydrophobicContact CG1-CD1 4.11Å; V474-I476 HydrophobicContact CG1-CG1 3.79Å; V474-L503 HydrophobicContact CG1-CD1 4.24Å; V474-L503 HydrophobicContact CG2-CD1 3.7Å |
| 475 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.8 | 170.7 | -167.8 | 167.2 | 0 | 0 | 0 | 109.6 | Y395 F397 A408 L430 M431 L432 L463 L490 L492 | Y395-I475 PolarHBondContact N-O 2.77Å; Y395-I475 PolarHBondContact O-N 3.01Å; F397-I475 HydrophobicContact CD1-CG2 4.34Å; F397-I475 HydrophobicContact CE1-CB 4.12Å; F397-I475 HydrophobicContact CE1-CG2 4.24Å; A408-I475 HydrophobicContact CB-CD1 3.27Å; L430-I475 HydrophobicContact CD1-CD1 4.33Å; L430-I475 HydrophobicContact CD2-CD1 3.95Å; L430-I475 HydrophobicContact CD2-CG1 3.93Å; M431-I475 WeakPolarHBondContact O-CA 3.39Å; L432-I475 HydrophobicContact CD1-CB 4.01Å; L432-I475 HydrophobicContact CD1-CG1 4.49Å; L463-I475 HydrophobicContact CD2-CD1 4.36Å; I475-L490 HydrophobicContact CD1-CD1 4.49Å; I475-L490 HydrophobicContact CG2-CD2 3.91Å; I475-L492 HydrophobicContact CD1-CD2 4.07Å; I475-L492 HydrophobicContact CG2-CD1 4.39Å; I475-L492 HydrophobicContact CG2-CD2 4.26Å |
| 476 | I | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 104.9 | -171.1 | -58.3 | 176.4 | 0 | 0 | 0 | 108 | L390 N392 P393 Q394 M431 V433 V474 | L390-I476 HydrophobicContact CD2-CD1 3.7Å; N392-I476 HydrophobicContact CB-CG2 3.46Å; N392-I476 VanDerWaalsContact CB-CG2 3.46Å; P393-I476 WeakPolarHBondContact O-CG2 3.31Å; Q394-I476 HydrophobicContact CG-CD1 4.04Å; Q394-I476 HydrophobicContact CG-CG1 4.05Å; M431-I476 HydrophobicContact CE-CB 3.91Å; M431-I476 HydrophobicContact CE-CD1 3.35Å; M431-I476 HydrophobicContact CE-CG1 4.15Å; M431-I476 HydrophobicContact CE-CG2 3.86Å; M431-I476 HydrophobicContact CG-CB 3.69Å; M431-I476 HydrophobicContact CG-CD1 4.49Å; M431-I476 HydrophobicContact CG-CG1 4.46Å; M431-I476 HydrophobicContact CG-CG2 4.27Å; M431-I476 PolarHBondContact N-O 2.86Å; M431-I476 PolarHBondContact O-N 2.98Å; V433-I476 HydrophobicContact CG2-CD1 4.43Å; V474-I476 HydrophobicContact CG1-CD1 4.11Å; V474-I476 HydrophobicContact CG1-CG1 3.79Å |
| 477 | P | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 131.6 | 168.5 | 30 | -33.9 | 0 | 0 | 0 | 110.2 | W366 P393 Y395 L410 L430 F488 | W366-P477 HydrophobicContact CZ2-CB 4.25Å; W366-P477 PolarHBondContact NE1-O 2.92Å; P393-P477 HydrophobicContact CB-CG 4.45Å; P393-P477 WeakPolarHBondContact O-CD 3.37Å; Y395-P477 HydrophobicContact CD2-CG 4.2Å; Y395-P477 HydrophobicContact CE2-CG 3.78Å; L410-P477 HydrophobicContact CD1-CB 3.57Å; L410-P477 HydrophobicContact CD2-CB 3.82Å; L410-P477 HydrophobicContact CG-CB 4.32Å; L430-P477 HydrophobicContact CD2-CB 3.93Å; P477-F488 HydrophobicContact CB-CD2 4.29Å; P477-F488 HydrophobicContact CB-CE2 4.1Å; P477-F488 HydrophobicContact CB-CZ 4.33Å; P477-F488 HydrophobicContact CG-CD2 4.2Å; P477-F488 HydrophobicContact CG-CE1 4.28Å; P477-F488 HydrophobicContact CG-CE2 3.52Å; P477-F488 HydrophobicContact CG-CZ 3.56Å |
| 478 | S | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153.8 | 179.2 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | N392 I428 G429 Y455 | N392-S478 VanDerWaalsContact CG-CB 3.43Å; N392-S478 VanDerWaalsContact ND2-CB 3.27Å; N392-S478 WeakPolarHBondContact ND2-CB 3.44Å; I428-S478 WeakPolarHBondContact CA-O 3.43Å; G429-S478 PolarHBondContact N-O 3.45Å; G429-S478 PolarHBondContact O-N 3.04Å; Y455-S478 WeakPolarHBondContact CE1-OG 3.08Å; Y455-S478 PolarHBondContact OH-OG 2.97Å |
| 479 | T | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 161.4 | 158.6 | 56 | 0 | 0 | 0 | 0 | 110 | W366 G381 C382 L426 T427 I428 A481 E484 | W366-T479 HydrophobicContact CD2-CG2 3.79Å; W366-T479 HydrophobicContact CE3-CG2 3.8Å; W366-T479 HydrophobicContact CG-CG2 4.18Å; W366-T479 HydrophobicContact CZ3-CG2 4.22Å; G381-T479 CarbonylContact C-O 3.56Å; G381-T479 VanDerWaalsContact CA-O 3.22Å; G381-T479 WeakPolarHBondContact CA-O 3.39Å; C382-T479 PolarHBondContact N-O 3.01Å; L426-T479 HydrophobicContact CB-CG2 4.32Å; L426-T479 HydrophobicContact CD1-CG2 3.9Å; T427-T479 CarbonylContact O-C 3.55Å; T427-T479 WeakPolarHBondContact O-CA 3.49Å; I428-T479 HydrophobicContact CG2-CG2 4.4Å; T479-A481 PolarHBondContact OG1-O 3.31Å; T479-E484 WeakPolarHBondContact CB-OE2 3.17Å; T479-E484 HydrophobicContact CG2-CB 3.85Å |
| 480 | F | 98.2 | Very high | 96.9 | Very high | 94 Ų | 94 | 34.2 Ų | 34.2 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -70.8 | -51.8 | 177.3 | -174.8 | -95.3 | 0 | 0 | 0 | 110.5 | C382 N385 T427 Y455 | C382-F480 HydrophobicContact CB-CD2 4.27Å; C382-F480 PolarHBondContact N-O 3.23Å; C382-F480 VanDerWaalsContact N-O 3.09Å; C382-F480 PolarHBondContact SG-O 2.72Å; N385-F480 PolarHBondContact ND2-O 3.46Å; N385-F480 VanDerWaalsContact ND2-O 3.14Å; T427-F480 HydrophobicContact CG2-CB 3.6Å; T427-F480 HydrophobicContact CG2-CD2 4.46Å; T427-F480 HydrophobicContact CG2-CG 4.16Å; T427-F480 PolarHBondContact O-N 2.74Å; Y455-F480 HydrophobicContact CD1-CB 4.07Å; Y455-F480 HydrophobicContact CD1-CD2 4.03Å; Y455-F480 HydrophobicContact CG-CD2 4.11Å |
| 481 | A | 97.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 28% | 0.281 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -85.9 | 143.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | T479 E484 | T479-A481 PolarHBondContact OG1-O 3.31Å; A481-E484 HydrophobicContact CB-CG 4.13Å |
| 482 | P | 95.9 | Very high | 97.2 | Very high | 50 Ų | 50 | 28.9 Ų | 28.9 | 33% | 0.325 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 158.8 | 172.6 | 32.3 | -34.4 | 0 | 0 | 0 | 110.4 | S379 N385 E484 | S379-P482 CarbonylContact O-C 3.5Å; S379-P482 WeakPolarHBondContact O-CA 3.43Å; N385-P482 WeakPolarHBondContact OD1-CD 3.43Å; P482-E484 PolarHBondContact O-N 2.87Å |
| 483 | R | 95 | Very high | 97.1 | Very high | 112 Ų | 112 | 27.9 Ų | 27.9 | 42% | 0.423 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 20.3 | 178.5 | -52.5 | -170.6 | 66.6 | 82.4 | 2.9 | 115.2 | C368 D377 S379 | C368-R483 PolarHBondContact SG-O 3.33Å; D377-R483 IonicContact OD1-NH1 3.7Å; S379-R483 PolarHBondContact O-N 2.93Å; S379-R483 WeakPolarHBondContact OG-CA 3.37Å |
| 484 | E | 95.3 | Very high | 96.9 | Very high | 58 Ų | 58 | 27.6 Ų | 27.6 | 27% | 0.271 | 14% | 0.138 | S | C | . | . | trans | -86.3 | 136.4 | 165.7 | -67.9 | -175.3 | 138 | 0 | 0 | 109.5 | W366 S379 L426 T479 A481 P482 | W366-E484 WeakPolarHBondContact CB-O 3.15Å; S379-E484 VanDerWaalsContact CB-O 3.24Å; S379-E484 WeakPolarHBondContact CB-O 2.94Å; L426-E484 HydrophobicContact CD2-CB 4.05Å; L426-E484 HydrophobicContact CD2-CG 4.28Å; T479-E484 WeakPolarHBondContact CB-OE2 3.17Å; T479-E484 HydrophobicContact CG2-CB 3.85Å; A481-E484 HydrophobicContact CB-CG 4.13Å; P482-E484 PolarHBondContact O-N 2.87Å | ||
| 485 | E | 94.8 | Very high | 96.3 | Very high | 115 Ų | 115 | 31 Ų | 31 | 54% | 0.537 | 16% | 0.162 | S | C | . | . | trans | -108.8 | 143.7 | -178 | -60.9 | -168.4 | 135.2 | 0 | 0 | 111.6 | W366 C368 L426 | W366-E485 WeakPolarHBondContact O-CA 3.42Å; C368-E485 HydrophobicContact CB-CG 4.45Å; C368-E485 WeakPolarHBondContact CB-OE1 3.4Å; C368-E485 PolarHBondContact N-OE1 3.02Å; L426-E485 WeakPolarHBondContact CD1-O 3.34Å | ||
| 486 | G | 94.5 | Very high | 96 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 22% | 0.216 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | 156.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V365 W366 | V365-G486 CarbonylContact C-O 3.5Å; V365-G486 WeakPolarHBondContact CA-O 3.43Å; W366-G486 PolarHBondContact N-O 3.5Å; W366-G486 PolarHBondContact O-N 3.37Å |
| 487 | E | 96 | Very high | 95.6 | Very high | 85 Ų | 85 | 35.6 Ų | 35.6 | 40% | 0.397 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 139.2 | 173 | -62.3 | 178.4 | 114.6 | 0 | 0 | 110.2 | F126 V365 Q412 R413 | F126-E487 HydrophobicContact CZ-CB 4.4Å; V365-E487 HydrophobicContact CG2-CG 4.33Å; Q412-E487 WeakPolarHBondContact CA-O 3.43Å; R413-E487 HydrophobicContact CB-CB 4.16Å; R413-E487 WeakPolarHBondContact CD-OE2 3.31Å; R413-E487 IonicContact CZ-OE1 4Å; R413-E487 IonicContact CZ-OE2 2.92Å; R413-E487 PolarHBondContact N-O 2.84Å; R413-E487 IonicContact NE-OE2 3.04Å; R413-E487 PolarHBondContact NE-OE2 3.03Å; R413-E487 VanDerWaalsContact NH1-CD 3.33Å; R413-E487 IonicContact NH1-OE1 3.95Å; R413-E487 PolarHBondContact NH1-OE1 2.85Å; R413-E487 IonicContact NH1-OE2 2.7Å; R413-E487 PolarHBondContact NH1-OE2 3.21Å |
| 488 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 161 | 175.4 | 70.1 | -94.4 | 0 | 0 | 0 | 112.8 | Q363 G364 V365 W366 P393 Y395 L410 M411 P477 L490 | Q363-F488 WeakPolarHBondContact CA-O 3.43Å; G364-F488 PolarHBondContact N-O 3.45Å; G364-F488 WeakPolarHBondContact O-CD1 3.43Å; G364-F488 PolarHBondContact O-N 2.79Å; V365-F488 VanDerWaalsContact N-CE1 3.33Å; W366-F488 AromaticContact CD2-CD1 3.7Å; W366-F488 HydrophobicContact CD2-CD1 3.7Å; W366-F488 HydrophobicContact CD2-CE1 4.24Å; W366-F488 AromaticContact CE2-CD1 3.5Å; W366-F488 VanDerWaalsContact CE2-CD1 3.5Å; W366-F488 AromaticContact CE2-CE1 3.94Å; W366-F488 HydrophobicContact CE3-CB 4.46Å; W366-F488 HydrophobicContact CE3-CD1 4.01Å; W366-F488 HydrophobicContact CG-CD1 4.27Å; W366-F488 HydrophobicContact CG-CE1 4.4Å; W366-F488 HydrophobicContact CH2-CB 3.55Å; W366-F488 HydrophobicContact CH2-CD1 4Å; W366-F488 HydrophobicContact CH2-CG 4.02Å; W366-F488 HydrophobicContact CZ2-CB 3.97Å; W366-F488 AromaticContact CZ2-CD1 3.68Å; W366-F488 HydrophobicContact CZ2-CD1 3.68Å; W366-F488 HydrophobicContact CZ2-CE1 4.4Å; W366-F488 AromaticContact CZ2-CG 3.91Å; W366-F488 HydrophobicContact CZ2-CG 3.91Å; W366-F488 HydrophobicContact CZ3-CB 3.83Å; W366-F488 HydrophobicContact CZ3-CD1 4.16Å; W366-F488 HydrophobicContact CZ3-CG 4.42Å; W366-F488 AromaticContact NE1-CD1 3.93Å; W366-F488 AromaticContact NE1-CE1 3.87Å; P393-F488 HydrophobicContact CB-CE1 4.43Å; P393-F488 HydrophobicContact CB-CZ 3.9Å; P393-F488 HydrophobicContact CG-CE1 3.86Å; P393-F488 HydrophobicContact CG-CZ 3.84Å; Y395-F488 HydrophobicContact CE2-CE2 4.06Å; Y395-F488 HydrophobicContact CE2-CZ 4.08Å; L410-F488 HydrophobicContact CD1-CB 3.82Å; L410-F488 HydrophobicContact CD1-CD2 3.63Å; L410-F488 HydrophobicContact CD1-CG 3.91Å; M411-F488 CarbonylContact O-C 3.41Å; M411-F488 WeakPolarHBondContact O-CA 3.23Å; M411-F488 WeakPolarHBondContact O-CB 3.45Å; P477-F488 HydrophobicContact CB-CD2 4.29Å; P477-F488 HydrophobicContact CB-CE2 4.1Å; P477-F488 HydrophobicContact CB-CZ 4.33Å; P477-F488 HydrophobicContact CG-CD2 4.2Å; P477-F488 HydrophobicContact CG-CE1 4.28Å; P477-F488 HydrophobicContact CG-CE2 3.52Å; P477-F488 HydrophobicContact CG-CZ 3.56Å; F488-L490 HydrophobicContact CD2-CB 4.39Å; F488-L490 HydrophobicContact CE2-CB 4.3Å |
| 489 | M | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.6 | 170.5 | -178.9 | -159.1 | 60.5 | 0 | 0 | 108.1 | W124 F126 G127 I361 F362 M411 R491 | W124-M489 HydrophobicContact CH2-CE 3.53Å; W124-M489 HydrophobicContact CH2-SD 4.02Å; W124-M489 HydrophobicContact CZ2-CE 4.14Å; W124-M489 HydrophobicContact CZ2-SD 4.16Å; F126-M489 HydrophobicContact CD1-CB 4.49Å; F126-M489 HydrophobicContact CD2-CB 4.02Å; F126-M489 HydrophobicContact CE1-CB 4.18Å; F126-M489 HydrophobicContact CE2-CB 3.65Å; F126-M489 HydrophobicContact CG-CB 4.44Å; F126-M489 HydrophobicContact CZ-CB 3.77Å; G127-M489 PolarHBondContact N-SD 3.09Å; I361-M489 HydrophobicContact CG2-CG 3.7Å; I361-M489 HydrophobicContact CG2-SD 3.92Å; F362-M489 CarbonylContact O-C 3.59Å; F362-M489 VanDerWaalsContact O-CA 3.26Å; F362-M489 WeakPolarHBondContact O-CA 3.04Å; M411-M489 HydrophobicContact CB-CE 3.88Å; M411-M489 PolarHBondContact N-O 3.45Å; M411-M489 PolarHBondContact O-N 2.98Å; M411-M489 HydrophobicContact SD-CE 3.96Å; M489-R491 HydrophobicContact CE-CG 3.67Å; M489-R491 HydrophobicContact CG-CG 4.25Å; M489-R491 HydrophobicContact SD-CG 3.93Å |
| 490 | L | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.6 | 173.4 | 174.5 | 65.6 | 0 | 0 | 0 | 109.1 | I361 F362 Y395 L430 I475 F488 L492 | I361-L490 CarbonylContact C-O 3.3Å; I361-L490 WeakPolarHBondContact CA-O 2.99Å; F362-L490 HydrophobicContact CB-CB 4.34Å; F362-L490 PolarHBondContact N-O 2.63Å; F362-L490 PolarHBondContact O-N 3.44Å; Y395-L490 HydrophobicContact CD2-CD2 3.56Å; Y395-L490 HydrophobicContact CE2-CD2 4.05Å; Y395-L490 HydrophobicContact CG-CD2 3.88Å; L430-L490 HydrophobicContact CD2-CD1 3.81Å; I475-L490 HydrophobicContact CD1-CD1 4.49Å; I475-L490 HydrophobicContact CG2-CD2 3.91Å; F488-L490 HydrophobicContact CD2-CB 4.39Å; F488-L490 HydrophobicContact CE2-CB 4.3Å; L490-L492 HydrophobicContact CD1-CD2 3.9Å; L490-L492 HydrophobicContact CD2-CD2 4.26Å; L490-L492 HydrophobicContact CG-CD2 4.02Å; L490-L492 HydrophobicContact CG-CG 4.41Å |
| 491 | R | 96.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128 | 173.7 | -59.7 | -176.1 | -68.7 | -179.8 | -5.7 | 109.9 | G189 G190 H360 I361 A408 S409 M489 Y493 | G189-R491 PolarHBondContact O-NH1 2.97Å; G190-R491 PolarHBondContact O-NH1 3.3Å; G190-R491 PolarHBondContact O-NH2 3.34Å; H360-R491 CarbonylContact O-C 3.18Å; H360-R491 WeakPolarHBondContact O-CA 3.45Å; I361-R491 HydrophobicContact CG1-CG 4.12Å; I361-R491 HydrophobicContact CG2-CG 4.24Å; A408-R491 CarbonylContact C-O 3.47Å; A408-R491 WeakPolarHBondContact CA-O 3.27Å; S409-R491 PolarHBondContact N-O 3.25Å; S409-R491 PolarHBondContact O-N 2.97Å; S409-R491 PolarHBondContact OG-NH2 2.94Å; M489-R491 HydrophobicContact CE-CG 3.67Å; M489-R491 HydrophobicContact CG-CG 4.25Å; M489-R491 HydrophobicContact SD-CG 3.93Å; R491-Y493 HydrophobicContact CB-CE2 3.79Å; R491-Y493 WeakPolarHBondContact CD-OH 3.45Å |
| 492 | L | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.5 | 175.1 | -52.5 | -178.8 | 0 | 0 | 0 | 109.2 | E359 H360 F362 A408 I475 L490 P500 | E359-L492 WeakPolarHBondContact CA-O 3.38Å; H360-L492 HydrophobicContact CB-CB 4.41Å; H360-L492 PolarHBondContact N-O 2.82Å; H360-L492 PolarHBondContact O-N 3.36Å; F362-L492 HydrophobicContact CE2-CD1 4.33Å; A408-L492 HydrophobicContact CB-CD2 3.6Å; I475-L492 HydrophobicContact CD1-CD2 4.07Å; I475-L492 HydrophobicContact CG2-CD1 4.39Å; I475-L492 HydrophobicContact CG2-CD2 4.26Å; L490-L492 HydrophobicContact CD1-CD2 3.9Å; L490-L492 HydrophobicContact CD2-CD2 4.26Å; L490-L492 HydrophobicContact CG-CD2 4.02Å; L490-L492 HydrophobicContact CG-CG 4.41Å; L492-P500 HydrophobicContact CD1-CB 3.97Å; L492-P500 HydrophobicContact CD1-CG 4.34Å |
| 493 | Y | 94.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.4 | 170.6 | -53.6 | -95.6 | 0 | 0 | 0 | 109.5 | V191 Y346 H358 E359 I407 R491 | V191-Y493 HydrophobicContact CG2-CD2 4.15Å; V191-Y493 HydrophobicContact CG2-CE2 3.37Å; Y346-Y493 AromaticContact CD2-CD1 3.8Å; Y346-Y493 HydrophobicContact CD2-CD1 3.8Å; Y346-Y493 HydrophobicContact CD2-CD2 4.02Å; Y346-Y493 AromaticContact CD2-CE1 3.98Å; Y346-Y493 HydrophobicContact CD2-CE1 3.98Å; Y346-Y493 HydrophobicContact CD2-CE2 4.19Å; Y346-Y493 AromaticContact CD2-CG 3.83Å; Y346-Y493 HydrophobicContact CD2-CG 3.83Å; Y346-Y493 HydrophobicContact CE2-CD2 4.28Å; Y346-Y493 HydrophobicContact CE2-CG 4.39Å; Y346-Y493 HydrophobicContact CG-CD1 4.01Å; Y346-Y493 HydrophobicContact CG-CE1 4.43Å; Y346-Y493 HydrophobicContact CG-CG 4.26Å; H358-Y493 WeakPolarHBondContact O-CA 3.47Å; E359-Y493 HydrophobicContact CB-CD1 4Å; E359-Y493 HydrophobicContact CB-CE1 3.83Å; E359-Y493 HydrophobicContact CG-CD1 4.18Å; E359-Y493 HydrophobicContact CG-CE1 3.6Å; E359-Y493 VanDerWaalsContact OE1-CE1 3.31Å; E359-Y493 WeakPolarHBondContact OE1-CE1 3.23Å; E359-Y493 VanDerWaalsContact OE1-CZ 3.25Å; E359-Y493 PolarHBondContact OE1-OH 3.17Å; I407-Y493 HydrophobicContact CB-CD2 4.46Å; I407-Y493 HydrophobicContact CG2-CD2 4.27Å; I407-Y493 PolarHBondContact N-O 3.04Å; I407-Y493 PolarHBondContact O-N 2.84Å; R491-Y493 HydrophobicContact CB-CE2 3.79Å; R491-Y493 WeakPolarHBondContact CD-OH 3.45Å |
| 494 | T | 93.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.1 | -177.9 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | Y357 H358 L406 W496 A498 | Y357-T494 CarbonylContact C-O 3.44Å; Y357-T494 WeakPolarHBondContact CA-O 3.41Å; H358-T494 PolarHBondContact N-O 3.13Å; H358-T494 PolarHBondContact O-N 3.08Å; H358-T494 VanDerWaalsContact O-N 3.14Å; L406-T494 HydrophobicContact CD1-CG2 3.68Å; T494-W496 WeakPolarHBondContact CB-O 3.37Å; T494-W496 HydrophobicContact CG2-CE3 4.41Å; T494-W496 HydrophobicContact CG2-CH2 3.48Å; T494-W496 VanDerWaalsContact CG2-CH2 3.48Å; T494-W496 HydrophobicContact CG2-CZ2 3.59Å; T494-W496 HydrophobicContact CG2-CZ3 3.92Å; T494-W496 PolarHBondContact O-N 3.01Å; T494-W496 PolarHBondContact OG1-O 3.27Å; T494-A498 HydrophobicContact CG2-CB 4.07Å |
| 495 | S | 88 | Confident | 95 | Very high | 70 Ų | 70 | 42.6 Ų | 42.6 | 49% | 0.49 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -72.5 | -6.2 | 175.9 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 496 | W | 90.5 | Very high | 94.7 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -126.7 | 167.2 | 175.5 | 71.5 | 100.2 | 0 | 0 | 0 | 110.3 | H358 F397 D398 V399 S404 E405 T494 A498 | H358-W496 WeakPolarHBondContact CB-O 3.4Å; H358-W496 PolarHBondContact CD2-O 2.67Å; F397-W496 HydrophobicContact CE2-CZ2 4.46Å; D398-W496 PolarHBondContact O-NE1 3.44Å; V399-W496 HydrophobicContact CB-CZ2 4.2Å; V399-W496 HydrophobicContact CG1-CH2 4.44Å; V399-W496 HydrophobicContact CG1-CZ2 4.24Å; V399-W496 HydrophobicContact CG2-CH2 4.23Å; V399-W496 HydrophobicContact CG2-CZ2 3.73Å; S404-W496 VanDerWaalsContact CB-CZ3 3.47Å; E405-W496 WeakPolarHBondContact O-CZ3 3.44Å; T494-W496 WeakPolarHBondContact CB-O 3.37Å; T494-W496 HydrophobicContact CG2-CE3 4.41Å; T494-W496 HydrophobicContact CG2-CH2 3.48Å; T494-W496 VanDerWaalsContact CG2-CH2 3.48Å; T494-W496 HydrophobicContact CG2-CZ2 3.59Å; T494-W496 HydrophobicContact CG2-CZ3 3.92Å; T494-W496 PolarHBondContact O-N 3.01Å; T494-W496 PolarHBondContact OG1-O 3.27Å; W496-A498 HydrophobicContact CZ2-CB 4.33Å; W496-A498 PolarHBondContact O-N 2.96Å |
| 497 | N | 91.6 | Very high | 94.3 | Very high | 73 Ų | 73 | 38 Ų | 38 | 39% | 0.39 | 19% | 0.193 | S | C | . | . | trans | -76.5 | 102.3 | 170.3 | -175.2 | -9.6 | 0 | 0 | 0 | 110.2 | R499 | N497-R499 PolarHBondContact O-N 3.17Å; N497-R499 PolarHBondContact OD1-N 3.48Å; N497-R499 VanDerWaalsContact OD1-N 3.15Å | ||
| 498 | A | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -75.1 | -10.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F397 D398 T494 W496 P500 | F397-A498 HydrophobicContact CB-CB 4.15Å; F397-A498 HydrophobicContact CD2-CB 4.18Å; D398-A498 PolarHBondContact N-O 3.34Å; D398-A498 VanDerWaalsContact N-O 3.08Å; T494-A498 HydrophobicContact CG2-CB 4.07Å; W496-A498 HydrophobicContact CZ2-CB 4.33Å; W496-A498 PolarHBondContact O-N 2.96Å; A498-P500 VanDerWaalsContact C-CD 3.48Å; A498-P500 VanDerWaalsContact C-N 3.34Å | ||
| 499 | R | 93 | Very high | 92.4 | Very high | 180 Ų | 180 | 40 Ų | 40 | 68% | 0.679 | 21% | 0.212 | S | C | * | . | trans | 45.4 | 50.5 | -177.9 | -57.6 | 178.5 | -178.2 | -179.2 | -0.1 | 113.4 | N497 | N497-R499 PolarHBondContact O-N 3.17Å; N497-R499 PolarHBondContact OD1-N 3.48Å; N497-R499 VanDerWaalsContact OD1-N 3.15Å | ||
| 500 | P | 97.5 | Very high | 90.8 | Very high | 18 Ų | 18 | 43 Ų | 43 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | trans | -68.7 | 149.9 | -174.9 | 30.3 | -33.8 | 0 | 0 | 0 | 111.7 | H360 F362 R396 F397 L492 A498 | H360-P500 HydrophobicContact CB-CG 3.45Å; H360-P500 VanDerWaalsContact CB-CG 3.45Å; H360-P500 VanDerWaalsContact CE1-CD 3.41Å; H360-P500 WeakPolarHBondContact CE1-CD 3.01Å; H360-P500 WeakPolarHBondContact ND1-CD 3.24Å; H360-P500 WeakPolarHBondContact ND1-CG 3.41Å; F362-P500 HydrophobicContact CE2-CB 3.69Å; F362-P500 HydrophobicContact CE2-CG 3.68Å; F362-P500 HydrophobicContact CZ-CB 3.6Å; F362-P500 HydrophobicContact CZ-CG 3.64Å; R396-P500 CarbonylContact O-C 3.51Å; R396-P500 WeakPolarHBondContact O-CA 3.4Å; F397-P500 HydrophobicContact CB-CB 3.95Å; L492-P500 HydrophobicContact CD1-CB 3.97Å; L492-P500 HydrophobicContact CD1-CG 4.34Å; A498-P500 VanDerWaalsContact C-CD 3.48Å; A498-P500 VanDerWaalsContact C-N 3.34Å | ||
| 501 | A | 98.2 | Very high | 88.9 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 146.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y395 R396 | Y395-A501 CarbonylContact C-O 3.55Å; Y395-A501 WeakPolarHBondContact CA-O 3.49Å; R396-A501 HydrophobicContact CG-CB 4.26Å; R396-A501 VanDerWaalsContact CG-O 3.29Å; R396-A501 WeakPolarHBondContact CG-O 3.45Å; R396-A501 PolarHBondContact N-O 3.35Å; R396-A501 PolarHBondContact O-N 3.41Å |
| 502 | E | 98.2 | Very high | 86.9 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136 | 171.2 | -167.6 | 172 | 171.7 | 0 | 0 | 111 | Q394 Y395 L504 | Q394-E502 CarbonylContact O-C 3.58Å; Q394-E502 WeakPolarHBondContact O-CA 3.5Å; Y395-E502 HydrophobicContact CD1-CB 3.83Å; Y395-E502 HydrophobicContact CD1-CG 4.14Å; Y395-E502 HydrophobicContact CE1-CB 3.7Å; Y395-E502 HydrophobicContact CE1-CG 3.77Å; E502-L504 HydrophobicContact CB-CD2 4.31Å; E502-L504 HydrophobicContact CB-CG 4.4Å; E502-L504 HydrophobicContact CG-CD2 3.8Å; E502-L504 HydrophobicContact CG-CG 4.27Å; E502-L504 PolarHBondContact O-N 3.18Å |
| 503 | L | 97 | Very high | 85.1 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | trans | -85.3 | 100.8 | 170 | -61.3 | 177.8 | 0 | 0 | 0 | 108.1 | Q394 R396 I440 Y441 R442 L443 V474 | Q394-L503 HydrophobicContact CB-CB 4.08Å; Q394-L503 HydrophobicContact CB-CD1 4.18Å; Q394-L503 HydrophobicContact CB-CG 4.47Å; Q394-L503 PolarHBondContact O-N 2.88Å; R396-L503 HydrophobicContact CB-CD1 4.27Å; R396-L503 HydrophobicContact CB-CD2 4.07Å; R396-L503 HydrophobicContact CB-CG 4.12Å; R396-L503 HydrophobicContact CG-CD2 3.72Å; R396-L503 HydrophobicContact CG-CG 4.15Å; I440-L503 WeakPolarHBondContact O-CD2 3.49Å; Y441-L503 WeakPolarHBondContact O-CD1 3.24Å; R442-L503 VanDerWaalsContact CD-O 3.24Å; R442-L503 WeakPolarHBondContact CD-O 3.32Å; R442-L503 HydrophobicContact CG-CB 3.75Å; R442-L503 WeakPolarHBondContact CG-O 3.47Å; R442-L503 PolarHBondContact NH1-O 3.03Å; L443-L503 HydrophobicContact CD1-CD1 4.35Å; V474-L503 HydrophobicContact CG1-CD1 4.24Å; V474-L503 HydrophobicContact CG2-CD1 3.7Å | ||
| 504 | L | 94 | Very high | 83.3 | Confident | 114 Ų | 114 | 64.2 Ų | 64.2 | 60% | 0.597 | 37% | 0.369 | S | S | * | . | trans | -93 | -33.2 | -175.9 | -65.1 | 172.3 | 0 | 0 | 0 | 113.2 | E502 | E502-L504 HydrophobicContact CB-CD2 4.31Å; E502-L504 HydrophobicContact CB-CG 4.4Å; E502-L504 HydrophobicContact CG-CD2 3.8Å; E502-L504 HydrophobicContact CG-CG 4.27Å; E502-L504 PolarHBondContact O-N 3.18Å | ||
| 505 | L | 92.3 | Very high | 81.8 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 46% | 0.461 | 40% | 0.401 | S | S | . | . | trans | -92.9 | 128.1 | -174.1 | -61 | 178.2 | 0 | 0 | 0 | 110.8 | Y441 R442 | Y441-L505 WeakPolarHBondContact CA-O 3.4Å; Y441-L505 HydrophobicContact CD1-CB 3.76Å; Y441-L505 HydrophobicContact CE1-CB 4.11Å; Y441-L505 HydrophobicContact CE1-CD1 4.2Å; R442-L505 PolarHBondContact N-O 3.23Å | ||
| 506 | D | 89 | Confident | 80.1 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 14% | 0.139 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -74.1 | -31.1 | 176.2 | -61.9 | -66.9 | 0 | 0 | 0 | 112.7 | R442 H444 Y646 | R442-D506 WeakPolarHBondContact CD-OD1 3.18Å; R442-D506 IonicContact NE-OD1 3.4Å; R442-D506 PolarHBondContact NE-OD1 3.32Å; H444-D506 IonicContact CE1-OD1 2.74Å; H444-D506 PolarHBondContact CE1-OD1 2.82Å; H444-D506 VanDerWaalsContact CE1-OD1 3.22Å; H444-D506 PolarHBondContact NE2-O 3.04Å; H444-D506 IonicContact NE2-OD1 3.85Å; D506-Y646 HydrophobicContact CB-CD1 4.44Å; D506-Y646 HydrophobicContact CB-CE1 3.89Å |
| 507 | A | 85.5 | Confident | 78.3 | Confident | 13 Ų | 13 | 80.7 Ų | 80.7 | 11% | 0.107 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -158.6 | 168.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110 | V509 P645 | A507-V509 PolarHBondContact O-N 2.76Å; A507-P645 HydrophobicContact CB-CB 4.07Å; A507-P645 HydrophobicContact CB-CG 4.33Å |
| 508 | P | 81.9 | Confident | 76.7 | Confident | 22 Ų | 22 | 81.2 Ų | 81.2 | 14% | 0.143 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 135.2 | 168 | -16.9 | 24.6 | 0 | 0 | 0 | 111.7 | Y441 A510 V574 | Y441-P508 HydrophobicContact CE1-CG 4.35Å; Y441-P508 HydrophobicContact CE2-CG 3.99Å; P508-A510 PolarHBondContact O-N 3.08Å; P508-V574 HydrophobicContact CB-CG1 4.49Å; P508-V574 HydrophobicContact CG-CB 4.11Å; P508-V574 HydrophobicContact CG-CG1 3.52Å; P508-V574 HydrophobicContact CG-CG2 3.7Å |
| 509 | V | 72.8 | Confident | 75.6 | Confident | 106 Ų | 106 | 82.7 Ų | 82.7 | 64% | 0.642 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 125.3 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | A507 S519 | A507-V509 PolarHBondContact O-N 2.76Å; V509-S519 PolarHBondContact O-OG 3.32Å |
| 510 | A | 63.5 | Low | 75 | Confident | 61 Ų | 61 | 75.6 Ų | 75.6 | 50% | 0.504 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 129.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P508 S512 | P508-A510 PolarHBondContact O-N 3.08Å; A510-S512 PolarHBondContact O-N 3.35Å |
| 511 | H | 56.9 | Low | 74.6 | Confident | 140 Ų | 140 | 77 Ų | 77 | 65% | 0.648 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 140.4 | 175.8 | -67.2 | -66.5 | 0 | 0 | 0 | 110.1 | C513 L516 | H511-C513 PolarHBondContact O-N 3.06Å; H511-L516 HydrophobicContact CB-CD1 4.08Å |
| 512 | S | 54.7 | Low | 74.2 | Confident | 133 Ų | 133 | 75.7 Ų | 75.7 | 93% | 0.93 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -64.5 | -6.4 | -174.2 | 55 | 0 | 0 | 0 | 0 | 115.3 | A510 S514 | A510-S512 PolarHBondContact O-N 3.35Å; S512-S514 PolarHBondContact O-N 3.22Å |
| 513 | C | 59.7 | Low | 74 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 37% | 0.365 | 42% | 0.421 | S | S | . | . | trans | -80 | 112.2 | 171.9 | -160.6 | 0 | 0 | 0 | 0 | 110 | H511 C515 L516 | H511-C513 PolarHBondContact O-N 3.06Å; C513-C515 HydrophobicContact CB-CB 4.47Å; C513-C515 WeakPolarHBondContact CB-SG 3.36Å; C513-C515 PolarHBondContact O-N 3.21Å; C513-C515 WeakPolarHBondContact SG-CB 3.22Å; C513-C515 CovalentContact SG-SG 2.06Å; C513-C515 PolarHBondContact SG-SG 2.83Å; C513-L516 HydrophobicContact CB-CD1 4.24Å; C513-L516 HydrophobicContact CB-CG 4.42Å; C513-L516 PolarHBondContact O-N 2.87Å | ||
| 514 | S | 56.4 | Low | 73.9 | Confident | 130 Ų | 130 | 72.4 Ų | 72.4 | 91% | 0.909 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -14.3 | 168.6 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | S512 | S512-S514 PolarHBondContact O-N 3.22Š|
| 515 | C | 62.2 | Low | 73.9 | Confident | 97 Ų | 97 | 69 Ų | 69 | 66% | 0.655 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -19.9 | 176.5 | 67.6 | 0 | 0 | 0 | 0 | 114.6 | C513 | C513-C515 HydrophobicContact CB-CB 4.47Å; C513-C515 WeakPolarHBondContact CB-SG 3.36Å; C513-C515 PolarHBondContact O-N 3.21Å; C513-C515 WeakPolarHBondContact SG-CB 3.22Å; C513-C515 CovalentContact SG-SG 2.06Å; C513-C515 PolarHBondContact SG-SG 2.83Å |
| 516 | L | 53.8 | Low | 74.1 | Confident | 107 Ų | 107 | 65 Ų | 65 | 56% | 0.56 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -93.4 | 118.7 | 175.4 | -66.8 | 165.3 | 0 | 0 | 0 | 107.3 | H511 C513 | H511-L516 HydrophobicContact CB-CD1 4.08Å; C513-L516 HydrophobicContact CB-CD1 4.24Å; C513-L516 HydrophobicContact CB-CG 4.42Å; C513-L516 PolarHBondContact O-N 2.87Å |
| 517 | R | 52.8 | Low | 74.5 | Confident | 236 Ų | 236 | 65.7 Ų | 65.7 | 89% | 0.891 | 38% | 0.383 | S | S | * | . | trans | -44.5 | 154.8 | 167.3 | -78.6 | -178.6 | 176.3 | 176.4 | -1.3 | 110 | S519 | R517-S519 PolarHBondContact O-N 2.85Š| ||
| 518 | S | 57.6 | Low | 75.1 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | trans | -38.1 | 130.8 | 174.7 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | F520 | S518-F520 WeakPolarHBondContact CB-O 3.22Å; S518-F520 PolarHBondContact O-N 2.86Å; S518-F520 PolarHBondContact OG-O 2.85Å | ||
| 519 | S | 71.4 | Confident | 75.8 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -64.9 | -4.3 | -174.3 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | V509 R517 K576 | V509-S519 PolarHBondContact O-OG 3.32Å; R517-S519 PolarHBondContact O-N 2.85Å; S519-K576 WeakPolarHBondContact O-CE 3.33Å; S519-K576 WeakPolarHBondContact O-CG 3.16Å |
| 520 | F | 80.9 | Confident | 77 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | trans | -145.5 | 165.3 | 176.5 | 71.1 | -84.4 | 0 | 0 | 0 | 110.8 | S518 V574 P645 | S518-F520 WeakPolarHBondContact CB-O 3.22Å; S518-F520 PolarHBondContact O-N 2.86Å; S518-F520 PolarHBondContact OG-O 2.85Å; F520-V574 HydrophobicContact CB-CG1 3.43Å; F520-V574 VanDerWaalsContact CB-CG1 3.43Å; F520-V574 HydrophobicContact CG-CG1 4Å; F520-P645 HydrophobicContact CE1-CB 4.3Å; F520-P645 HydrophobicContact CE1-CG 4.03Å; F520-P645 HydrophobicContact CE2-CB 3.83Å; F520-P645 HydrophobicContact CE2-CG 3.78Å; F520-P645 HydrophobicContact CZ-CB 3.73Å; F520-P645 VanDerWaalsContact CZ-CD 3.46Å; F520-P645 HydrophobicContact CZ-CG 3.3Å | ||
| 521 | S | 87.3 | Confident | 78.7 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -117.1 | -35.2 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 113.1 | R575 K576 | S521-R575 PolarHBondContact N-O 3.19Å; S521-K576 WeakPolarHBondContact CB-O 3.36Å |
| 522 | C | 91.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 169.8 | 179 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | R575 P606 T641 F642 | C522-R575 PolarHBondContact N-O 3.42Å; C522-R575 PolarHBondContact O-N 2.8Å; C522-P606 HydrophobicContact CB-CG 3.84Å; C522-T641 HydrophobicContact CB-CG2 3.83Å; C522-F642 CarbonylContact C-O 3.35Å; C522-F642 VanDerWaalsContact CA-O 3.22Å; C522-F642 WeakPolarHBondContact CA-O 3.37Å; C522-F642 WeakPolarHBondContact CB-O 3.32Å |
| 523 | V | 92.8 | Very high | 82.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.6 | 170.9 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | I572 F573 V574 T641 F642 P645 L648 | V523-I572 HydrophobicContact CG1-CD1 4.17Å; V523-I572 HydrophobicContact CG1-CG1 3.91Å; V523-F573 CarbonylContact C-O 3.5Å; V523-F573 WeakPolarHBondContact CA-O 3.44Å; V523-V574 HydrophobicContact CG2-CG2 4.18Å; V523-T641 CarbonylContact O-C 3.46Å; V523-T641 VanDerWaalsContact O-CA 3.25Å; V523-T641 WeakPolarHBondContact O-CA 3.22Å; V523-F642 PolarHBondContact N-O 3.2Å; V523-F642 PolarHBondContact O-N 3.43Å; V523-P645 HydrophobicContact CG2-CB 4.26Å; V523-L648 HydrophobicContact CB-CD2 4.41Å; V523-L648 HydrophobicContact CG1-CD2 3.43Å; V523-L648 VanDerWaalsContact CG1-CD2 3.43Å; V523-L648 HydrophobicContact CG1-CG 4.07Å; V523-L648 HydrophobicContact CG2-CD2 4.1Å; V523-L648 HydrophobicContact CG2-CG 4.15Å |
| 524 | T | 94.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.2 | 175.9 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | I572 F573 R575 I582 C604 V639 A640 T641 | T524-I572 CarbonylContact O-C 3.47Å; T524-I572 WeakPolarHBondContact O-CA 3.41Å; T524-F573 PolarHBondContact N-O 3.22Å; T524-F573 PolarHBondContact O-N 3.17Å; T524-R575 VanDerWaalsContact OG1-CD 3.31Å; T524-R575 WeakPolarHBondContact OG1-CD 3.45Å; T524-R575 PolarHBondContact OG1-NH1 2.71Å; T524-I582 HydrophobicContact CG2-CD1 3.5Å; T524-C604 HydrophobicContact CG2-CB 4.13Å; T524-V639 HydrophobicContact CG2-CG2 3.59Å; T524-A640 CarbonylContact C-O 3.56Å; T524-A640 WeakPolarHBondContact CA-O 3.41Å; T524-T641 WeakPolarHBondContact CG2-OG1 3.48Å; T524-T641 VanDerWaalsContact OG1-CG2 3.28Å; T524-T641 WeakPolarHBondContact OG1-CG2 3.36Å; T524-T641 PolarHBondContact OG1-OG1 3.36Å |
| 525 | Q | 94.9 | Very high | 85.8 | Confident | 43 Ų | 43 | 45 Ų | 45 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.5 | 163.1 | -73.2 | 174.6 | -34.3 | 0 | 0 | 108.9 | E436 C571 I572 V639 A640 | E436-Q525 PolarHBondContact OE1-NE2 3.25Å; Q525-C571 CarbonylContact C-O 3.52Å; Q525-C571 WeakPolarHBondContact CA-O 3.42Å; Q525-I572 HydrophobicContact CG-CB 4.48Å; Q525-I572 HydrophobicContact CG-CD1 3.7Å; Q525-I572 HydrophobicContact CG-CG1 3.91Å; Q525-V639 WeakPolarHBondContact O-CA 3.39Å; Q525-A640 PolarHBondContact N-O 3.13Å; Q525-A640 PolarHBondContact O-N 2.92Å |
| 526 | L | 96.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122.4 | 178.2 | -178.5 | 67.2 | 0 | 0 | 0 | 109.4 | I528 V547 C571 I582 V584 L602 Y637 V639 | L526-I528 HydrophobicContact CD1-CD1 4.01Å; L526-I528 HydrophobicContact CD2-CD1 3.82Å; L526-I528 HydrophobicContact CD2-CG1 4.46Å; L526-I528 HydrophobicContact CG-CD1 3.77Å; L526-I528 HydrophobicContact CG-CG1 4.38Å; L526-V547 HydrophobicContact CD2-CG1 3.67Å; L526-V547 HydrophobicContact CD2-CG2 4.34Å; L526-C571 HydrophobicContact CB-CB 4.43Å; L526-C571 PolarHBondContact N-O 2.94Å; L526-C571 PolarHBondContact O-N 2.83Å; L526-I582 HydrophobicContact CD2-CG2 3.96Å; L526-V584 HydrophobicContact CD2-CG2 4.26Å; L526-L602 HydrophobicContact CD1-CD1 3.76Å; L526-L602 HydrophobicContact CD2-CD1 3.93Å; L526-Y637 HydrophobicContact CD1-CD2 3.77Å; L526-Y637 HydrophobicContact CD1-CG 4.41Å; L526-V639 HydrophobicContact CD1-CB 3.83Å; L526-V639 HydrophobicContact CD1-CG2 4.13Å |
| 527 | H | 96.6 | Very high | 87.8 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 19% | 0.194 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.5 | 174.4 | 173.5 | -146.8 | 0 | 0 | 0 | 109.2 | D568 L569 Q570 Y637 S638 | H527-D568 IonicContact CD2-OD1 3.72Å; H527-D568 IonicContact CE1-OD1 3.52Å; H527-D568 IonicContact NE2-OD1 2.71Å; H527-D568 PolarHBondContact NE2-OD1 3.12Å; H527-L569 CarbonylContact C-O 3.46Å; H527-L569 WeakPolarHBondContact CA-O 3.17Å; H527-Q570 HydrophobicContact CB-CG 4.4Å; H527-Y637 CarbonylContact O-C 3.5Å; H527-Y637 WeakPolarHBondContact O-CA 3.14Å; H527-Y637 WeakPolarHBondContact O-CB 3.44Å; H527-S638 PolarHBondContact N-O 2.83Å; H527-S638 PolarHBondContact O-N 3Å |
| 528 | I | 97.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 102.1 | 172.9 | -50.7 | -58 | 0 | 0 | 0 | 107.9 | L526 G530 V547 W567 D568 L569 V584 I635 | L526-I528 HydrophobicContact CD1-CD1 4.01Å; L526-I528 HydrophobicContact CD2-CD1 3.82Å; L526-I528 HydrophobicContact CD2-CG1 4.46Å; L526-I528 HydrophobicContact CG-CD1 3.77Å; L526-I528 HydrophobicContact CG-CG1 4.38Å; I528-G530 VanDerWaalsContact C-N 3.34Å; I528-V547 HydrophobicContact CG1-CG2 3.86Å; I528-W567 HydrophobicContact CG2-CE3 3.75Å; I528-W567 HydrophobicContact CG2-CZ3 4.09Å; I528-D568 PolarHBondContact O-N 2.83Å; I528-L569 HydrophobicContact CB-CB 4.35Å; I528-L569 PolarHBondContact N-O 2.86Å; I528-L569 PolarHBondContact O-N 3.24Å; I528-V584 HydrophobicContact CD1-CG1 4.48Å; I528-V584 HydrophobicContact CD1-CG2 4.07Å; I528-I635 HydrophobicContact CD1-CG2 4.32Å; I528-I635 HydrophobicContact CG2-CG2 4.05Å |
| 529 | T | 97.2 | Very high | 89.8 | Confident | 54 Ų | 54 | 38.7 Ų | 38.7 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | -45.3 | 176.9 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | W567 D568 M636 | T529-W567 PolarHBondContact O-N 3.41Å; T529-D568 PolarHBondContact O-N 3.01Å; T529-D568 VanDerWaalsContact O-N 3.14Å; T529-M636 PolarHBondContact N-O 3.34Å |
| 530 | G | 97.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.8 | -165.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I528 P565 M636 | I528-G530 VanDerWaalsContact C-N 3.34Å; G530-P565 CarbonylContact C-O 3.45Å; G530-P565 WeakPolarHBondContact CA-O 3.34Å; G530-M636 PolarHBondContact N-O 2.9Å; G530-M636 PolarHBondContact O-N 3.24Å |
| 531 | A | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 161 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L534 D564 P565 W567 K634 I635 | A531-L534 HydrophobicContact CB-CD1 3.95Å; A531-L534 HydrophobicContact CB-CD2 3.83Å; A531-L534 HydrophobicContact CB-CG 3.88Å; A531-D564 CarbonylContact O-C 3.45Å; A531-D564 VanDerWaalsContact O-C 3.32Å; A531-D564 WeakPolarHBondContact O-CA 3.37Å; A531-P565 HydrophobicContact CB-CG 3.89Å; A531-P565 PolarHBondContact N-O 2.99Å; A531-P565 WeakPolarHBondContact O-CD 3.21Å; A531-W567 HydrophobicContact CB-CH2 3.72Å; A531-W567 HydrophobicContact CB-CZ3 3.86Å; A531-K634 CarbonylContact C-O 3.53Å; A531-K634 WeakPolarHBondContact CA-O 3.47Å; A531-K634 VanDerWaalsContact CB-O 3.28Å; A531-K634 WeakPolarHBondContact CB-O 3.04Å; A531-I635 HydrophobicContact CB-CD1 3.76Å |
| 532 | A | 97.2 | Very high | 91.8 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | L534 D564 G633 K634 M636 | A532-L534 VanDerWaalsContact C-N 3.34Å; A532-L534 PolarHBondContact O-N 3.4Å; A532-D564 WeakPolarHBondContact CA-OD1 3.49Å; A532-G633 CarbonylContact O-C 3.52Å; A532-G633 WeakPolarHBondContact O-CA 3.13Å; A532-K634 PolarHBondContact N-O 2.85Å; A532-K634 PolarHBondContact O-N 3.16Å; A532-M636 HydrophobicContact CB-CE 4.35Å |
| 533 | G | 95.5 | Very high | 92.1 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 61.8 | 36.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K563 D564 G633 | G533-K563 PolarHBondContact N-O 3.09Å; G533-D564 PolarHBondContact N-OD1 3.05Å; G533-G633 VanDerWaalsContact O-CA 3.31Å; G533-G633 WeakPolarHBondContact O-CA 3.3Å |
| 534 | L | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | trans | -60.5 | 138.3 | 176.5 | -66.8 | 177.2 | 0 | 0 | 0 | 111 | A531 A532 I541 P543 K563 P565 V586 L597 L617 | A531-L534 HydrophobicContact CB-CD1 3.95Å; A531-L534 HydrophobicContact CB-CD2 3.83Å; A531-L534 HydrophobicContact CB-CG 3.88Å; A532-L534 VanDerWaalsContact C-N 3.34Å; A532-L534 PolarHBondContact O-N 3.4Å; L534-I541 HydrophobicContact CD1-CG2 4.45Å; L534-P543 HydrophobicContact CD1-CB 3.48Å; L534-P543 VanDerWaalsContact CD1-CB 3.48Å; L534-P543 HydrophobicContact CD1-CG 3.89Å; L534-K563 WeakPolarHBondContact CB-O 3.38Å; L534-K563 WeakPolarHBondContact CG-O 3.18Å; L534-K563 PolarHBondContact N-O 2.89Å; L534-P565 HydrophobicContact CD1-CG 3.75Å; L534-V586 HydrophobicContact CD1-CG1 4.27Å; L534-V586 HydrophobicContact CD2-CG1 4.14Å; L534-L597 HydrophobicContact CB-CD1 4.48Å; L534-L597 HydrophobicContact CD1-CD1 4.06Å; L534-L617 HydrophobicContact CD2-CD1 3.64Å | ||
| 535 | Q | 89.2 | Confident | 92.4 | Very high | 103 Ų | 103 | 39.6 Ų | 39.6 | 48% | 0.481 | 25% | 0.25 | S | S | . | . | trans | -119.8 | 143.2 | 178.7 | -59.9 | -169.1 | -2.7 | 0 | 0 | 110.8 | R631 | Q535-R631 WeakPolarHBondContact CG-O 3.23Å; Q535-R631 PolarHBondContact NE2-O 2.77Å; Q535-R631 PolarHBondContact OE1-O 3.22Å | ||
| 536 | S | 84 | Confident | 92.6 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | trans | -141.2 | 139.6 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | K538 | S536-K538 PolarHBondContact O-N 2.78Å; S536-K538 PolarHBondContact OG-N 2.79Å; S536-K538 PolarHBondContact OG-O 3.17Å | ||
| 537 | A | 75.4 | Confident | 92.7 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 91% | 0.909 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -70.9 | -12.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 538 | K | 71.3 | Confident | 92.8 | Very high | 170 Ų | 170 | 40.1 Ų | 40.1 | 74% | 0.739 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -140.8 | 130.6 | -174.7 | -66.1 | -176.6 | 179.3 | -178.3 | 0 | 111.9 | S536 | S536-K538 PolarHBondContact O-N 2.78Å; S536-K538 PolarHBondContact OG-N 2.79Å; S536-K538 PolarHBondContact OG-O 3.17Å |
| 539 | G | 80.8 | Confident | 92.7 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 76% | 0.763 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 64.8 | -168.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 540 | T | 90.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 41.2 Ų | 41.2 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | trans | -66.6 | 142.5 | 173.1 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | D561 | T540-D561 WeakPolarHBondContact CB-OD1 3.39Å; T540-D561 WeakPolarHBondContact CG2-OD1 3.31Å | ||
| 541 | I | 93.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | trans | -98.3 | 116.9 | 179 | -65.2 | 164.3 | 0 | 0 | 0 | 107.6 | L534 P543 D561 S562 K563 L597 | L534-I541 HydrophobicContact CD1-CG2 4.45Å; I541-P543 VanDerWaalsContact C-CD 3.48Å; I541-P543 HydrophobicContact CG2-CB 3.89Å; I541-P543 HydrophobicContact CG2-CG 4.11Å; I541-P543 VanDerWaalsContact O-CD 3.23Å; I541-P543 WeakPolarHBondContact O-CD 3.25Å; I541-D561 CarbonylContact O-C 3.46Å; I541-D561 WeakPolarHBondContact O-CA 3.28Å; I541-D561 PolarHBondContact O-N 3.12Å; I541-D561 VanDerWaalsContact O-N 3.16Å; I541-S562 WeakPolarHBondContact CG2-O 3.34Å; I541-S562 PolarHBondContact O-N 3.22Å; I541-K563 HydrophobicContact CD1-CG 4.01Å; I541-L597 HydrophobicContact CG2-CD1 3.75Å | ||
| 542 | N | 96.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | trans | -112 | 75.2 | 176.8 | -58 | -57.5 | 0 | 0 | 0 | 109.4 | V558 C559 K560 D561 S588 A589 | N542-V558 HydrophobicContact CB-CG1 3.77Å; N542-V558 WeakPolarHBondContact O-CG1 3.48Å; N542-C559 CarbonylContact C-O 3.32Å; N542-C559 WeakPolarHBondContact CA-O 3.25Å; N542-K560 WeakPolarHBondContact OD1-CA 3.33Å; N542-D561 PolarHBondContact OD1-N 3.37Å; N542-S588 PolarHBondContact N-OG 2.97Å; N542-S588 CarbonylContact O-C 3.17Å; N542-S588 WeakPolarHBondContact O-CA 3.49Å; N542-A589 HydrophobicContact CB-CB 4.19Å; N542-A589 PolarHBondContact ND2-O 2.84Å; N542-A589 PolarHBondContact O-N 2.83Å | ||
| 543 | P | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 144.9 | -158 | 38.2 | -41.3 | 0 | 0 | 0 | 112.5 | L534 I541 C559 S562 P565 W567 W587 L597 | L534-P543 HydrophobicContact CD1-CB 3.48Å; L534-P543 VanDerWaalsContact CD1-CB 3.48Å; L534-P543 HydrophobicContact CD1-CG 3.89Å; I541-P543 VanDerWaalsContact C-CD 3.48Å; I541-P543 HydrophobicContact CG2-CB 3.89Å; I541-P543 HydrophobicContact CG2-CG 4.11Å; I541-P543 VanDerWaalsContact O-CD 3.23Å; I541-P543 WeakPolarHBondContact O-CD 3.25Å; P543-C559 WeakPolarHBondContact CD-O 3.36Å; P543-C559 HydrophobicContact CG-CB 4.16Å; P543-C559 PolarHBondContact O-N 2.78Å; P543-S562 WeakPolarHBondContact CD-O 3.2Å; P543-S562 VanDerWaalsContact CG-O 3.3Å; P543-S562 WeakPolarHBondContact CG-O 3.29Å; P543-P565 HydrophobicContact CB-CB 4.49Å; P543-P565 HydrophobicContact CB-CG 4.05Å; P543-P565 HydrophobicContact CG-CB 3.5Å; P543-P565 HydrophobicContact CG-CG 3.43Å; P543-P565 VanDerWaalsContact CG-CG 3.43Å; P543-W567 HydrophobicContact CB-CZ2 3.98Å; P543-W567 HydrophobicContact CG-CZ2 4.46Å; P543-W567 PolarHBondContact O-NE1 3.31Å; P543-W587 CarbonylContact C-O 3.46Å; P543-W587 WeakPolarHBondContact CA-O 3.47Å; P543-L597 HydrophobicContact CB-CD1 4.22Å |
| 544 | Y | 97.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.4 | 168.5 | 69.5 | -88.2 | 0 | 0 | 0 | 109.9 | I546 R555 S556 S557 V558 W587 A589 D594 | Y544-I546 HydrophobicContact CD2-CG1 4.16Å; Y544-I546 HydrophobicContact CE2-CD1 3.96Å; Y544-I546 HydrophobicContact CE2-CG1 3.81Å; Y544-R555 HydrophobicContact CD2-CG 4.01Å; Y544-R555 VanDerWaalsContact CE1-NH2 3.33Å; Y544-R555 HydrophobicContact CE2-CG 4.41Å; Y544-S556 WeakPolarHBondContact CA-OG 3.35Å; Y544-S557 WeakPolarHBondContact CB-O 3.25Å; Y544-V558 HydrophobicContact CD1-CG2 3.88Å; Y544-V558 HydrophobicContact CG-CG2 4.2Å; Y544-W587 HydrophobicContact CD1-CB 4.07Å; Y544-W587 HydrophobicContact CD2-CB 4.32Å; Y544-W587 HydrophobicContact CE1-CB 3.51Å; Y544-W587 HydrophobicContact CE2-CB 3.77Å; Y544-W587 HydrophobicContact CE2-CG 4.07Å; Y544-W587 HydrophobicContact CG-CB 4.46Å; Y544-W587 AromaticContact CZ-CG 3.88Å; Y544-W587 PolarHBondContact N-O 2.8Å; Y544-W587 PolarHBondContact O-N 2.62Å; Y544-A589 HydrophobicContact CD1-CB 4.16Å; Y544-A589 HydrophobicContact CE1-CB 4.12Å; Y544-D594 HydrophobicContact CE1-CB 4.5Å; Y544-D594 VanDerWaalsContact CE1-OD2 3.22Å; Y544-D594 WeakPolarHBondContact CE1-OD2 3.31Å; Y544-D594 VanDerWaalsContact CZ-OD2 3.26Å; Y544-D594 PolarHBondContact OH-OD2 3.31Å |
| 545 | C | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 153.6 | 174.6 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | R555 S556 W567 V584 E585 V586 | C545-R555 WeakPolarHBondContact O-CA 3.38Å; C545-S556 PolarHBondContact N-OG 3.41Å; C545-S556 PolarHBondContact O-N 2.77Å; C545-W567 HydrophobicContact CB-CD2 4.31Å; C545-W567 HydrophobicContact CB-CE3 3.92Å; C545-W567 HydrophobicContact CB-CH2 3.86Å; C545-W567 HydrophobicContact CB-CZ2 4.22Å; C545-W567 HydrophobicContact CB-CZ3 3.69Å; C545-W567 VanDerWaalsContact SG-CE3 3.59Å; C545-V584 HydrophobicContact CB-CG1 4.34Å; C545-E585 CarbonylContact C-O 3.55Å; C545-E585 WeakPolarHBondContact CA-O 3.25Å; C545-V586 HydrophobicContact CB-CG2 4.44Å |
| 546 | I | 98.3 | Very high | 92.7 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.138 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.6 | 170.5 | -50.7 | 176.6 | 0 | 0 | 0 | 107.7 | Y544 K548 V554 R555 V584 E585 | Y544-I546 HydrophobicContact CD2-CG1 4.16Å; Y544-I546 HydrophobicContact CE2-CD1 3.96Å; Y544-I546 HydrophobicContact CE2-CG1 3.81Å; I546-K548 HydrophobicContact CG2-CD 4.49Å; I546-K548 HydrophobicContact CG2-CG 3.86Å; I546-V554 CarbonylContact C-O 3.55Å; I546-V554 WeakPolarHBondContact CA-O 3.4Å; I546-R555 HydrophobicContact CG1-CB 4.49Å; I546-R555 HydrophobicContact CG1-CG 4.2Å; I546-V584 WeakPolarHBondContact O-CA 3.41Å; I546-E585 PolarHBondContact N-O 2.73Å; I546-E585 PolarHBondContact O-N 3Å |
| 547 | V | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.8 | 171.7 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | L526 I528 S553 V554 L569 F573 I582 K583 V584 | L526-V547 HydrophobicContact CD2-CG1 3.67Å; L526-V547 HydrophobicContact CD2-CG2 4.34Å; I528-V547 HydrophobicContact CG1-CG2 3.86Å; V547-S553 CarbonylContact O-C 3.46Å; V547-S553 WeakPolarHBondContact O-CA 3.38Å; V547-V554 PolarHBondContact N-O 2.81Å; V547-V554 PolarHBondContact O-N 2.82Å; V547-L569 HydrophobicContact CG2-CD2 3.82Å; V547-F573 HydrophobicContact CB-CZ 4.35Å; V547-F573 HydrophobicContact CG1-CE2 3.56Å; V547-F573 HydrophobicContact CG1-CZ 3.7Å; V547-I582 HydrophobicContact CG1-CG2 3.57Å; V547-K583 CarbonylContact C-O 3.51Å; V547-K583 WeakPolarHBondContact CA-O 3.34Å; V547-V584 HydrophobicContact CG2-CG2 4.36Å |
| 548 | K | 98.2 | Very high | 94.1 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.2 | -178.1 | -52.3 | -173 | 176.3 | 166.9 | 0 | 110.5 | I546 Q552 S553 K583 E585 | I546-K548 HydrophobicContact CG2-CD 4.49Å; I546-K548 HydrophobicContact CG2-CG 3.86Å; K548-Q552 WeakPolarHBondContact CA-O 3.39Å; K548-S553 WeakPolarHBondContact CG-OG 3.37Å; K548-K583 HydrophobicContact CB-CB 4.4Å; K548-K583 PolarHBondContact N-O 3.02Å; K548-K583 PolarHBondContact O-N 3.39Å; K548-E585 VanDerWaalsContact CE-OE2 3.29Å; K548-E585 WeakPolarHBondContact CE-OE2 3.01Å; K548-E585 IonicContact NZ-OE1 3.73Å; K548-E585 PolarHBondContact NZ-OE1 3.08Å; K548-E585 IonicContact NZ-OE2 3.18Å; K548-E585 PolarHBondContact NZ-OE2 3Å |
| 549 | C | 97.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.034 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 121.8 | 179.1 | -175 | 0 | 0 | 0 | 0 | 109.3 | G551 Q552 F573 I582 | C549-G551 VanDerWaalsContact C-N 3.28Å; C549-G551 PolarHBondContact O-N 2.75Å; C549-G551 VanDerWaalsContact O-N 3.08Å; C549-Q552 PolarHBondContact N-O 2.96Å; C549-Q552 WeakPolarHBondContact O-CA 3.45Å; C549-Q552 WeakPolarHBondContact O-CB 3.29Å; C549-Q552 PolarHBondContact O-N 2.52Å; C549-F573 HydrophobicContact CB-CB 4.21Å; C549-F573 HydrophobicContact CB-CD1 3.52Å; C549-F573 HydrophobicContact CB-CD2 3.88Å; C549-F573 HydrophobicContact CB-CE1 3.73Å; C549-F573 HydrophobicContact CB-CE2 4.07Å; C549-F573 HydrophobicContact CB-CG 3.58Å; C549-F573 HydrophobicContact CB-CZ 3.99Å; C549-I582 HydrophobicContact CB-CG1 4.18Å; C549-I582 HydrophobicContact CB-CG2 4.41Å |
| 550 | E | 93.5 | Very high | 95.9 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 44.5 | 174.2 | -59.2 | -167.9 | 159 | 0 | 0 | 115.6 | Q552 R575 K576 H577 | E550-Q552 VanDerWaalsContact C-N 3.25Å; E550-Q552 PolarHBondContact O-N 2.88Å; E550-R575 WeakPolarHBondContact OE2-CA 3.36Å; E550-K576 PolarHBondContact OE1-N 2.76Å; E550-K576 VanDerWaalsContact OE1-N 3.17Å; E550-K576 PolarHBondContact OE2-N 2.93Å; E550-H577 WeakPolarHBondContact OE1-CA 3.22Å; E550-H577 WeakPolarHBondContact OE1-CB 3.22Å; E550-H577 IonicContact OE1-CD2 3.04Å; E550-H577 PolarHBondContact OE1-CD2 3.14Å; E550-H577 IonicContact OE1-CG 3.02Å; E550-H577 PolarHBondContact OE1-N 3.18Å |
| 551 | G | 92.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 88% | 0.876 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -9.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C549 | C549-G551 VanDerWaalsContact C-N 3.28Å; C549-G551 PolarHBondContact O-N 2.75Å; C549-G551 VanDerWaalsContact O-N 3.08Å |
| 552 | Q | 95.2 | Very high | 96.3 | Very high | 96 Ų | 96 | 50.3 Ų | 50.3 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 154.6 | 169.1 | -58.2 | -172.8 | -2.5 | 0 | 0 | 110.8 | K548 C549 E550 F573 | K548-Q552 WeakPolarHBondContact CA-O 3.39Å; C549-Q552 PolarHBondContact N-O 2.96Å; C549-Q552 WeakPolarHBondContact O-CA 3.45Å; C549-Q552 WeakPolarHBondContact O-CB 3.29Å; C549-Q552 PolarHBondContact O-N 2.52Å; E550-Q552 VanDerWaalsContact C-N 3.25Å; E550-Q552 PolarHBondContact O-N 2.88Å; Q552-F573 HydrophobicContact CB-CD1 4.25Å; Q552-F573 HydrophobicContact CB-CE1 4.08Å |
| 553 | S | 97.6 | Very high | 96.2 | Very high | 72 Ų | 72 | 54.8 Ų | 54.8 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 141.3 | 176.3 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | V547 K548 | V547-S553 CarbonylContact O-C 3.46Å; V547-S553 WeakPolarHBondContact O-CA 3.38Å; K548-S553 WeakPolarHBondContact CG-OG 3.37Å |
| 554 | V | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.2 | 175.5 | -163.7 | 0 | 0 | 0 | 0 | 108.1 | D437 N438 I546 V547 L569 C571 F573 | D437-V554 HydrophobicContact CB-CG1 3.86Å; N438-V554 HydrophobicContact CB-CG1 4.44Å; N438-V554 HydrophobicContact CB-CG2 3.63Å; N438-V554 VanDerWaalsContact CG-CG2 3.49Å; I546-V554 CarbonylContact C-O 3.55Å; I546-V554 WeakPolarHBondContact CA-O 3.4Å; V547-V554 PolarHBondContact N-O 2.81Å; V547-V554 PolarHBondContact O-N 2.82Å; V554-L569 HydrophobicContact CG1-CD1 3.91Å; V554-C571 HydrophobicContact CG2-CB 4.36Å; V554-F573 HydrophobicContact CG2-CE1 3.99Å; V554-F573 HydrophobicContact CG2-CZ 3.8Å |
| 555 | R | 96.8 | Very high | 96.2 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.4 | -171.6 | 179.9 | -175.3 | 174.7 | 166.5 | 5.6 | 110.8 | Y544 C545 I546 | Y544-R555 HydrophobicContact CD2-CG 4.01Å; Y544-R555 VanDerWaalsContact CE1-NH2 3.33Å; Y544-R555 HydrophobicContact CE2-CG 4.41Å; C545-R555 WeakPolarHBondContact O-CA 3.38Å; I546-R555 HydrophobicContact CG1-CB 4.49Å; I546-R555 HydrophobicContact CG1-CG 4.2Å |
| 556 | S | 96 | Very high | 96.1 | Very high | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 170.2 | 173.2 | 73.7 | 0 | 0 | 0 | 0 | 112.9 | Y544 C545 | Y544-S556 WeakPolarHBondContact CA-OG 3.35Å; C545-S556 PolarHBondContact N-OG 3.41Å; C545-S556 PolarHBondContact O-N 2.77Å |
| 557 | S | 93.3 | Very high | 96 | Very high | 36 Ų | 36 | 64.5 Ų | 64.5 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -65 | 163.2 | 161.2 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | Y544 | Y544-S557 WeakPolarHBondContact CB-O 3.25Š|
| 558 | V | 95.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 67.4 Ų | 67.4 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 120.4 | 170.9 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | N542 Y544 A589 | N542-V558 HydrophobicContact CB-CG1 3.77Å; N542-V558 WeakPolarHBondContact O-CG1 3.48Å; Y544-V558 HydrophobicContact CD1-CG2 3.88Å; Y544-V558 HydrophobicContact CG-CG2 4.2Å; V558-A589 HydrophobicContact CG1-CB 3.79Å; V558-A589 HydrophobicContact CG2-CB 3.88Å |
| 559 | C | 95.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 64.1 Ų | 64.1 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 138.2 | 164.8 | -62.1 | 0 | 0 | 0 | 0 | 108.2 | N542 P543 P565 | N542-C559 CarbonylContact C-O 3.32Å; N542-C559 WeakPolarHBondContact CA-O 3.25Å; P543-C559 WeakPolarHBondContact CD-O 3.36Å; P543-C559 HydrophobicContact CG-CB 4.16Å; P543-C559 PolarHBondContact O-N 2.78Å; C559-P565 HydrophobicContact CB-CB 3.76Å; C559-P565 VanDerWaalsContact SG-CB 3.54Å |
| 560 | K | 94.6 | Very high | 95.6 | Very high | 181 Ų | 181 | 64.9 Ų | 64.9 | 79% | 0.787 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -88.2 | 138.6 | 176.5 | -68.3 | -176.3 | 179.9 | 178.5 | 0 | 110 | N542 S562 | N542-K560 WeakPolarHBondContact OD1-CA 3.33Å; K560-S562 VanDerWaalsContact C-N 3.35Å; K560-S562 PolarHBondContact O-N 3.2Å |
| 561 | D | 95 | Very high | 95.7 | Very high | 115 Ų | 115 | 61.5 Ų | 61.5 | 62% | 0.615 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 39.3 | 57.4 | 172.2 | -162.5 | 28.7 | 0 | 0 | 0 | 114.5 | T540 I541 N542 | T540-D561 WeakPolarHBondContact CB-OD1 3.39Å; T540-D561 WeakPolarHBondContact CG2-OD1 3.31Å; I541-D561 CarbonylContact O-C 3.46Å; I541-D561 WeakPolarHBondContact O-CA 3.28Å; I541-D561 PolarHBondContact O-N 3.12Å; I541-D561 VanDerWaalsContact O-N 3.16Å; N542-D561 PolarHBondContact OD1-N 3.37Å |
| 562 | S | 96.5 | Very high | 95.8 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 22% | 0.217 | 30% | 0.296 | C | S | . | . | trans | -136.4 | 131.8 | -177.2 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | I541 P543 K560 D564 | I541-S562 WeakPolarHBondContact CG2-O 3.34Å; I541-S562 PolarHBondContact O-N 3.22Å; P543-S562 WeakPolarHBondContact CD-O 3.2Å; P543-S562 VanDerWaalsContact CG-O 3.3Å; P543-S562 WeakPolarHBondContact CG-O 3.29Å; K560-S562 VanDerWaalsContact C-N 3.35Å; K560-S562 PolarHBondContact O-N 3.2Å; S562-D564 PolarHBondContact OG-N 2.73Å; S562-D564 VanDerWaalsContact OG-N 3.13Å; S562-D564 PolarHBondContact OG-O 3.28Å | ||
| 563 | K | 95.5 | Very high | 95.8 | Very high | 126 Ų | 126 | 53.6 Ų | 53.6 | 55% | 0.548 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -89.9 | -12.3 | 169.6 | -64.1 | -175.6 | -178.3 | 176.7 | 0 | 112.5 | G533 L534 I541 P565 | G533-K563 PolarHBondContact N-O 3.09Å; L534-K563 WeakPolarHBondContact CB-O 3.38Å; L534-K563 WeakPolarHBondContact CG-O 3.18Å; L534-K563 PolarHBondContact N-O 2.89Å; I541-K563 HydrophobicContact CD1-CG 4.01Å; K563-P565 VanDerWaalsContact C-CD 3.42Å |
| 564 | D | 97 | Very high | 95.5 | Very high | 96 Ų | 96 | 51.7 Ų | 51.7 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -130.6 | 60.6 | -174.9 | -54.8 | -75.5 | 0 | 0 | 0 | 109.6 | A531 A532 G533 S562 | A531-D564 CarbonylContact O-C 3.45Å; A531-D564 VanDerWaalsContact O-C 3.32Å; A531-D564 WeakPolarHBondContact O-CA 3.37Å; A532-D564 WeakPolarHBondContact CA-OD1 3.49Å; G533-D564 PolarHBondContact N-OD1 3.05Å; S562-D564 PolarHBondContact OG-N 2.73Å; S562-D564 VanDerWaalsContact OG-N 3.13Å; S562-D564 PolarHBondContact OG-O 3.28Å |
| 565 | P | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | trans | -70.1 | 141.1 | -174.4 | 30.6 | -38.4 | 0 | 0 | 0 | 112.3 | G530 A531 L534 P543 C559 K563 W567 | G530-P565 CarbonylContact C-O 3.45Å; G530-P565 WeakPolarHBondContact CA-O 3.34Å; A531-P565 HydrophobicContact CB-CG 3.89Å; A531-P565 PolarHBondContact N-O 2.99Å; A531-P565 WeakPolarHBondContact O-CD 3.21Å; L534-P565 HydrophobicContact CD1-CG 3.75Å; P543-P565 HydrophobicContact CB-CB 4.49Å; P543-P565 HydrophobicContact CB-CG 4.05Å; P543-P565 HydrophobicContact CG-CB 3.5Å; P543-P565 HydrophobicContact CG-CG 3.43Å; P543-P565 VanDerWaalsContact CG-CG 3.43Å; C559-P565 HydrophobicContact CB-CB 3.76Å; C559-P565 VanDerWaalsContact SG-CB 3.54Å; K563-P565 VanDerWaalsContact C-CD 3.42Å; P565-W567 HydrophobicContact CB-CD2 4.46Å; P565-W567 HydrophobicContact CB-CZ2 4.14Å; P565-W567 HydrophobicContact CG-CD2 4.42Å; P565-W567 HydrophobicContact CG-CH2 3.98Å; P565-W567 HydrophobicContact CG-CZ2 3.54Å | ||
| 566 | I | 96.2 | Very high | 94.9 | Very high | 130 Ų | 130 | 51.8 Ų | 51.8 | 67% | 0.667 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.2 | 166.5 | -57.3 | 174.4 | 0 | 0 | 0 | 107.4 | ||
| 567 | W | 95.4 | Very high | 94.7 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -31.1 | -179.5 | -66.1 | -48.1 | 0 | 0 | 0 | 113.4 | I528 T529 A531 P543 C545 P565 L569 V586 I635 | I528-W567 HydrophobicContact CG2-CE3 3.75Å; I528-W567 HydrophobicContact CG2-CZ3 4.09Å; T529-W567 PolarHBondContact O-N 3.41Å; A531-W567 HydrophobicContact CB-CH2 3.72Å; A531-W567 HydrophobicContact CB-CZ3 3.86Å; P543-W567 HydrophobicContact CB-CZ2 3.98Å; P543-W567 HydrophobicContact CG-CZ2 4.46Å; P543-W567 PolarHBondContact O-NE1 3.31Å; C545-W567 HydrophobicContact CB-CD2 4.31Å; C545-W567 HydrophobicContact CB-CE3 3.92Å; C545-W567 HydrophobicContact CB-CH2 3.86Å; C545-W567 HydrophobicContact CB-CZ2 4.22Å; C545-W567 HydrophobicContact CB-CZ3 3.69Å; C545-W567 VanDerWaalsContact SG-CE3 3.59Å; P565-W567 HydrophobicContact CB-CD2 4.46Å; P565-W567 HydrophobicContact CB-CZ2 4.14Å; P565-W567 HydrophobicContact CG-CD2 4.42Å; P565-W567 HydrophobicContact CG-CH2 3.98Å; P565-W567 HydrophobicContact CG-CZ2 3.54Å; W567-L569 HydrophobicContact CB-CB 4.41Å; W567-L569 PolarHBondContact O-N 2.81Å; W567-V586 HydrophobicContact CH2-CG1 3.7Å; W567-V586 HydrophobicContact CH2-CG2 4.03Å; W567-V586 HydrophobicContact CZ2-CG1 4.12Å; W567-I635 HydrophobicContact CH2-CD1 4.14Å; W567-I635 HydrophobicContact CZ3-CD1 3.71Å |
| 568 | D | 93.8 | Very high | 94.6 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 39.3 | -174.3 | -170 | 38.4 | 0 | 0 | 0 | 113.1 | K434 H527 I528 T529 Q570 | K434-D568 VanDerWaalsContact CE-OD2 3.25Å; K434-D568 WeakPolarHBondContact CE-OD2 3.26Å; H527-D568 IonicContact CD2-OD1 3.72Å; H527-D568 IonicContact CE1-OD1 3.52Å; H527-D568 IonicContact NE2-OD1 2.71Å; H527-D568 PolarHBondContact NE2-OD1 3.12Å; I528-D568 PolarHBondContact O-N 2.83Å; T529-D568 PolarHBondContact O-N 3.01Å; T529-D568 VanDerWaalsContact O-N 3.14Å; D568-Q570 PolarHBondContact O-N 2.77Å |
| 569 | L | 96.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 115.5 | -175.9 | 177.6 | 69.5 | 0 | 0 | 0 | 110 | D437 H527 I528 V547 V554 W567 | D437-L569 HydrophobicContact CB-CD1 4.32Å; D437-L569 VanDerWaalsContact OD2-CD1 3.31Å; D437-L569 WeakPolarHBondContact OD2-CD1 3.49Å; H527-L569 CarbonylContact C-O 3.46Å; H527-L569 WeakPolarHBondContact CA-O 3.17Å; I528-L569 HydrophobicContact CB-CB 4.35Å; I528-L569 PolarHBondContact N-O 2.86Å; I528-L569 PolarHBondContact O-N 3.24Å; V547-L569 HydrophobicContact CG2-CD2 3.82Å; V554-L569 HydrophobicContact CG1-CD1 3.91Å; W567-L569 HydrophobicContact CB-CB 4.41Å; W567-L569 PolarHBondContact O-N 2.81Å |
| 570 | Q | 95.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.3 | 176.7 | -62.4 | -179.3 | 17.4 | 0 | 0 | 110.1 | E436 D437 H527 D568 | E436-Q570 CarbonylContact C-O 3.59Å; E436-Q570 VanDerWaalsContact CA-O 3.29Å; E436-Q570 WeakPolarHBondContact CA-O 3.33Å; E436-Q570 HydrophobicContact CB-CB 4.29Å; E436-Q570 HydrophobicContact CG-CB 4.07Å; D437-Q570 PolarHBondContact N-O 2.91Å; H527-Q570 HydrophobicContact CB-CG 4.4Å; D568-Q570 PolarHBondContact O-N 2.77Å |
| 571 | C | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.9 | -175.5 | -57 | 0 | 0 | 0 | 0 | 110.4 | Q525 L526 V554 F573 | Q525-C571 CarbonylContact C-O 3.52Å; Q525-C571 WeakPolarHBondContact CA-O 3.42Å; L526-C571 HydrophobicContact CB-CB 4.43Å; L526-C571 PolarHBondContact N-O 2.94Å; L526-C571 PolarHBondContact O-N 2.83Å; V554-C571 HydrophobicContact CG2-CB 4.36Å; C571-F573 HydrophobicContact CB-CD2 4.41Å; C571-F573 HydrophobicContact CB-CE2 3.59Å; C571-F573 HydrophobicContact CB-CZ 3.97Å |
| 572 | I | 95 | Very high | 94.5 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.7 | 172.2 | -164.2 | 158.8 | 0 | 0 | 0 | 111 | E436 N438 R439 V523 T524 Q525 L648 | E436-I572 HydrophobicContact CB-CB 3.95Å; E436-I572 HydrophobicContact CB-CG2 3.85Å; E436-I572 HydrophobicContact CG-CB 3.83Å; E436-I572 HydrophobicContact CG-CG2 4.24Å; N438-I572 PolarHBondContact ND2-O 2.7Å; N438-I572 PolarHBondContact OD1-N 2.88Å; N438-I572 PolarHBondContact OD1-O 3.24Å; R439-I572 HydrophobicContact CB-CG2 4.26Å; R439-I572 VanDerWaalsContact NH2-CD1 3.25Å; V523-I572 HydrophobicContact CG1-CD1 4.17Å; V523-I572 HydrophobicContact CG1-CG1 3.91Å; T524-I572 CarbonylContact O-C 3.47Å; T524-I572 WeakPolarHBondContact O-CA 3.41Å; Q525-I572 HydrophobicContact CG-CB 4.48Å; Q525-I572 HydrophobicContact CG-CD1 3.7Å; Q525-I572 HydrophobicContact CG-CG1 3.91Å; I572-L648 HydrophobicContact CD1-CD2 3.35Å; I572-L648 HydrophobicContact CG1-CD2 3.79Å |
| 573 | F | 94 | Very high | 94.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.2 | -179 | -58.9 | -75.5 | 0 | 0 | 0 | 110.8 | V523 T524 V547 C549 Q552 V554 C571 R575 I582 | V523-F573 CarbonylContact C-O 3.5Å; V523-F573 WeakPolarHBondContact CA-O 3.44Å; T524-F573 PolarHBondContact N-O 3.22Å; T524-F573 PolarHBondContact O-N 3.17Å; V547-F573 HydrophobicContact CB-CZ 4.35Å; V547-F573 HydrophobicContact CG1-CE2 3.56Å; V547-F573 HydrophobicContact CG1-CZ 3.7Å; C549-F573 HydrophobicContact CB-CB 4.21Å; C549-F573 HydrophobicContact CB-CD1 3.52Å; C549-F573 HydrophobicContact CB-CD2 3.88Å; C549-F573 HydrophobicContact CB-CE1 3.73Å; C549-F573 HydrophobicContact CB-CE2 4.07Å; C549-F573 HydrophobicContact CB-CG 3.58Å; C549-F573 HydrophobicContact CB-CZ 3.99Å; Q552-F573 HydrophobicContact CB-CD1 4.25Å; Q552-F573 HydrophobicContact CB-CE1 4.08Å; V554-F573 HydrophobicContact CG2-CE1 3.99Å; V554-F573 HydrophobicContact CG2-CZ 3.8Å; C571-F573 HydrophobicContact CB-CD2 4.41Å; C571-F573 HydrophobicContact CB-CE2 3.59Å; C571-F573 HydrophobicContact CB-CZ 3.97Å; F573-R575 HydrophobicContact CB-CG 3.97Å; F573-I582 HydrophobicContact CD2-CD1 4.16Å |
| 574 | V | 91.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 46.7 Ų | 46.7 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 118.6 | 162 | 176.6 | 0 | 0 | 0 | 0 | 107.1 | Y441 P508 F520 V523 L648 | Y441-V574 HydrophobicContact CD2-CG2 4.41Å; Y441-V574 HydrophobicContact CE2-CG2 3.98Å; P508-V574 HydrophobicContact CB-CG1 4.49Å; P508-V574 HydrophobicContact CG-CB 4.11Å; P508-V574 HydrophobicContact CG-CG1 3.52Å; P508-V574 HydrophobicContact CG-CG2 3.7Å; F520-V574 HydrophobicContact CB-CG1 3.43Å; F520-V574 VanDerWaalsContact CB-CG1 3.43Å; F520-V574 HydrophobicContact CG-CG1 4Å; V523-V574 HydrophobicContact CG2-CG2 4.18Å; V574-L648 HydrophobicContact CG2-CD2 4.33Å |
| 575 | R | 92 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.1 | -169.5 | -66 | 170.6 | 64.3 | -149.5 | -5.4 | 111.2 | S521 C522 T524 E550 F573 H577 S578 K580 C604 | S521-R575 PolarHBondContact N-O 3.19Å; C522-R575 PolarHBondContact N-O 3.42Å; C522-R575 PolarHBondContact O-N 2.8Å; T524-R575 VanDerWaalsContact OG1-CD 3.31Å; T524-R575 WeakPolarHBondContact OG1-CD 3.45Å; T524-R575 PolarHBondContact OG1-NH1 2.71Å; E550-R575 WeakPolarHBondContact OE2-CA 3.36Å; F573-R575 HydrophobicContact CB-CG 3.97Å; R575-H577 PolarHBondContact NH2-O 2.97Å; R575-S578 VanDerWaalsContact NH2-C 3.28Å; R575-S578 PolarHBondContact NH2-O 2.84Å; R575-K580 PolarHBondContact NH2-O 3.36Å; R575-C604 PolarHBondContact NH1-O 2.83Å |
| 576 | K | 89.9 | Confident | 94.7 | Very high | 136 Ų | 136 | 42.6 Ų | 42.6 | 59% | 0.591 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -85.4 | -28.7 | 173.5 | -64.3 | -174.1 | 178.9 | -179.4 | 0 | 112.6 | S519 S521 E550 | S519-K576 WeakPolarHBondContact O-CE 3.33Å; S519-K576 WeakPolarHBondContact O-CG 3.16Å; S521-K576 WeakPolarHBondContact CB-O 3.36Å; E550-K576 PolarHBondContact OE1-N 2.76Å; E550-K576 VanDerWaalsContact OE1-N 3.17Å; E550-K576 PolarHBondContact OE2-N 2.93Å |
| 577 | H | 91.2 | Very high | 94.7 | Very high | 78 Ų | 78 | 38.6 Ų | 38.6 | 36% | 0.361 | 19% | 0.191 | S | C | . | . | trans | -127.3 | 97.6 | -174.8 | -55.4 | -76.4 | 0 | 0 | 0 | 109.7 | E550 R575 D579 K580 | E550-H577 WeakPolarHBondContact OE1-CA 3.22Å; E550-H577 WeakPolarHBondContact OE1-CB 3.22Å; E550-H577 IonicContact OE1-CD2 3.04Å; E550-H577 PolarHBondContact OE1-CD2 3.14Å; E550-H577 IonicContact OE1-CG 3.02Å; E550-H577 PolarHBondContact OE1-N 3.18Å; R575-H577 PolarHBondContact NH2-O 2.97Å; H577-D579 WeakPolarHBondContact CB-OD1 3.47Å; H577-D579 PolarHBondContact O-N 2.88Å; H577-K580 HydrophobicContact CB-CB 4.1Å; H577-K580 HydrophobicContact CB-CD 3.68Å; H577-K580 HydrophobicContact CB-CG 3.69Å; H577-K580 PolarHBondContact CD2-NZ 3.41Å; H577-K580 PolarHBondContact NE2-NZ 2.81Å; H577-K580 PolarHBondContact O-N 3.05Å | ||
| 578 | S | 91.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.9 | 179.3 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | R575 | R575-S578 VanDerWaalsContact NH2-C 3.28Å; R575-S578 PolarHBondContact NH2-O 2.84Å |
| 579 | D | 91.7 | Very high | 94.9 | Very high | 119 Ų | 119 | 36 Ų | 36 | 64% | 0.636 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -24.3 | 178.9 | 63.1 | -58.1 | 0 | 0 | 0 | 113.6 | H577 | H577-D579 WeakPolarHBondContact CB-OD1 3.47Å; H577-D579 PolarHBondContact O-N 2.88Å |
| 580 | K | 94 | Very high | 94.7 | Very high | 101 Ų | 101 | 38.8 Ų | 38.8 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -74.9 | 128 | 179 | -71.2 | -175.6 | -175.5 | 169 | 0 | 110.8 | R575 H577 | R575-K580 PolarHBondContact NH2-O 3.36Å; H577-K580 HydrophobicContact CB-CB 4.1Å; H577-K580 HydrophobicContact CB-CD 3.68Å; H577-K580 HydrophobicContact CB-CG 3.69Å; H577-K580 PolarHBondContact CD2-NZ 3.41Å; H577-K580 PolarHBondContact NE2-NZ 2.81Å; H577-K580 PolarHBondContact O-N 3.05Å |
| 581 | P | 96.2 | Very high | 94.4 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 150.6 | -177.1 | 29.2 | -35.3 | 0 | 0 | 0 | 112.3 | L601 L602 | P581-L601 HydrophobicContact CB-CB 4.23Å; P581-L601 HydrophobicContact CG-CD2 4.38Å; P581-L602 CarbonylContact C-O 3.59Å; P581-L602 WeakPolarHBondContact CA-O 3.41Å; P581-L602 WeakPolarHBondContact CB-O 3.15Å |
| 582 | I | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.9 | 165.9 | -61.6 | 178 | 0 | 0 | 0 | 107.9 | T524 L526 V547 C549 F573 L602 C604 | T524-I582 HydrophobicContact CG2-CD1 3.5Å; L526-I582 HydrophobicContact CD2-CG2 3.96Å; V547-I582 HydrophobicContact CG1-CG2 3.57Å; C549-I582 HydrophobicContact CB-CG1 4.18Å; C549-I582 HydrophobicContact CB-CG2 4.41Å; F573-I582 HydrophobicContact CD2-CD1 4.16Å; I582-L602 HydrophobicContact CB-CB 4.44Å; I582-L602 PolarHBondContact N-O 3.48Å; I582-L602 PolarHBondContact O-N 2.83Å; I582-C604 HydrophobicContact CD1-CB 4.46Å |
| 583 | K | 97.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 61.1 Ų | 61.1 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123 | -178.6 | -175.7 | -179.8 | -170.1 | -162.7 | 0 | 110.5 | V547 K548 E585 L601 | V547-K583 CarbonylContact C-O 3.51Å; V547-K583 WeakPolarHBondContact CA-O 3.34Å; K548-K583 HydrophobicContact CB-CB 4.4Å; K548-K583 PolarHBondContact N-O 3.02Å; K548-K583 PolarHBondContact O-N 3.39Å; K583-E585 HydrophobicContact CD-CG 4.08Å; K583-E585 WeakPolarHBondContact CE-OE1 3.36Å; K583-E585 HydrophobicContact CG-CG 4.09Å; K583-E585 IonicContact NZ-OE1 2.73Å; K583-E585 PolarHBondContact NZ-OE1 3.15Å; K583-L601 HydrophobicContact CB-CD2 3.78Å; K583-L601 HydrophobicContact CD-CD2 4.2Å; K583-L601 HydrophobicContact CG-CD2 3.74Å |
| 584 | V | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.5 | 169.7 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | L526 I528 C545 I546 V547 C599 L600 L602 | L526-V584 HydrophobicContact CD2-CG2 4.26Å; I528-V584 HydrophobicContact CD1-CG1 4.48Å; I528-V584 HydrophobicContact CD1-CG2 4.07Å; C545-V584 HydrophobicContact CB-CG1 4.34Å; I546-V584 WeakPolarHBondContact O-CA 3.41Å; V547-V584 HydrophobicContact CG2-CG2 4.36Å; V584-C599 CarbonylContact O-C 3.12Å; V584-C599 WeakPolarHBondContact O-CA 3.39Å; V584-C599 VanDerWaalsContact O-CB 3.3Å; V584-C599 WeakPolarHBondContact O-CB 3.38Å; V584-L600 HydrophobicContact CB-CB 4.33Å; V584-L600 PolarHBondContact N-O 3.43Å; V584-L600 PolarHBondContact O-N 2.87Å; V584-L602 HydrophobicContact CG2-CD1 3.88Å; V584-L602 HydrophobicContact CG2-CG 4.49Å |
| 585 | E | 97.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 64 Ų | 64 | 5% | 0.051 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.7 | 173.4 | -62.3 | 176.4 | 178.7 | 0 | 0 | 109.6 | C545 I546 K548 K583 W587 F596 C599 | C545-E585 CarbonylContact C-O 3.55Å; C545-E585 WeakPolarHBondContact CA-O 3.25Å; I546-E585 PolarHBondContact N-O 2.73Å; I546-E585 PolarHBondContact O-N 3Å; K548-E585 VanDerWaalsContact CE-OE2 3.29Å; K548-E585 WeakPolarHBondContact CE-OE2 3.01Å; K548-E585 IonicContact NZ-OE1 3.73Å; K548-E585 PolarHBondContact NZ-OE1 3.08Å; K548-E585 IonicContact NZ-OE2 3.18Å; K548-E585 PolarHBondContact NZ-OE2 3Å; K583-E585 HydrophobicContact CD-CG 4.08Å; K583-E585 WeakPolarHBondContact CE-OE1 3.36Å; K583-E585 HydrophobicContact CG-CG 4.09Å; K583-E585 IonicContact NZ-OE1 2.73Å; K583-E585 PolarHBondContact NZ-OE1 3.15Å; E585-W587 VanDerWaalsContact CB-NE1 3.31Å; E585-W587 PolarHBondContact OE2-NE1 2.9Å; E585-W587 VanDerWaalsContact OE2-NE1 3.15Å; E585-F596 HydrophobicContact CB-CE2 4.35Å; E585-F596 HydrophobicContact CG-CE2 4.44Å; E585-C599 HydrophobicContact CG-CB 4.26Å |
| 586 | V | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.4 | 176.8 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | L534 C545 W567 L597 G598 L617 I635 | L534-V586 HydrophobicContact CD1-CG1 4.27Å; L534-V586 HydrophobicContact CD2-CG1 4.14Å; C545-V586 HydrophobicContact CB-CG2 4.44Å; W567-V586 HydrophobicContact CH2-CG1 3.7Å; W567-V586 HydrophobicContact CH2-CG2 4.03Å; W567-V586 HydrophobicContact CZ2-CG1 4.12Å; V586-L597 HydrophobicContact CB-CB 4.35Å; V586-L597 HydrophobicContact CG1-CB 4.1Å; V586-L597 HydrophobicContact CG1-CD1 4.07Å; V586-L597 PolarHBondContact O-N 3.14Å; V586-G598 PolarHBondContact N-O 3.45Å; V586-G598 PolarHBondContact O-N 2.55Å; V586-L617 HydrophobicContact CB-CD1 4.23Å; V586-L617 HydrophobicContact CG2-CD1 3.99Å; V586-L617 HydrophobicContact CG2-CD2 3.79Å; V586-I635 HydrophobicContact CG2-CD1 3.47Å; V586-I635 VanDerWaalsContact CG2-CD1 3.47Å; V586-I635 HydrophobicContact CG2-CG1 4.23Å |
| 587 | W | 96.6 | Very high | 94.2 | Very high | 46 Ų | 46 | 59.9 Ų | 59.9 | 17% | 0.174 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152.6 | -174.6 | -62.3 | 86.1 | 0 | 0 | 0 | 109.8 | P543 Y544 E585 D594 T595 F596 | P543-W587 CarbonylContact C-O 3.46Å; P543-W587 WeakPolarHBondContact CA-O 3.47Å; Y544-W587 HydrophobicContact CD1-CB 4.07Å; Y544-W587 HydrophobicContact CD2-CB 4.32Å; Y544-W587 HydrophobicContact CE1-CB 3.51Å; Y544-W587 HydrophobicContact CE2-CB 3.77Å; Y544-W587 HydrophobicContact CE2-CG 4.07Å; Y544-W587 HydrophobicContact CG-CB 4.46Å; Y544-W587 AromaticContact CZ-CG 3.88Å; Y544-W587 PolarHBondContact N-O 2.8Å; Y544-W587 PolarHBondContact O-N 2.62Å; E585-W587 VanDerWaalsContact CB-NE1 3.31Å; E585-W587 PolarHBondContact OE2-NE1 2.9Å; E585-W587 VanDerWaalsContact OE2-NE1 3.15Å; W587-D594 HydrophobicContact CE3-CB 4.24Å; W587-T595 CarbonylContact C-O 3.49Å; W587-T595 VanDerWaalsContact CA-O 3.24Å; W587-T595 WeakPolarHBondContact CA-O 3.34Å; W587-F596 HydrophobicContact CD2-CB 4.44Å; W587-F596 HydrophobicContact CD2-CD2 4.16Å; W587-F596 AromaticContact CE2-CD2 3.85Å; W587-F596 HydrophobicContact CE3-CB 3.88Å; W587-F596 HydrophobicContact CE3-CD2 4.38Å; W587-F596 HydrophobicContact CH2-CB 4.14Å; W587-F596 HydrophobicContact CH2-CD2 4.07Å; W587-F596 AromaticContact CZ2-CD2 3.8Å; W587-F596 HydrophobicContact CZ2-CD2 3.8Å; W587-F596 HydrophobicContact CZ3-CB 3.72Å; W587-F596 HydrophobicContact CZ3-CD2 4.35Å |
| 588 | S | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.4 | 166.6 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | N542 D594 T595 | N542-S588 PolarHBondContact N-OG 2.97Å; N542-S588 CarbonylContact O-C 3.17Å; N542-S588 WeakPolarHBondContact O-CA 3.49Å; S588-D594 CarbonylContact O-C 3.42Å; S588-D594 VanDerWaalsContact O-CA 3.25Å; S588-D594 WeakPolarHBondContact O-CA 3.08Å; S588-D594 WeakPolarHBondContact O-CB 3.45Å; S588-T595 PolarHBondContact N-O 3.38Å; S588-T595 PolarHBondContact O-N 2.84Å |
| 589 | A | 95.9 | Very high | 94.6 | Very high | 21 Ų | 21 | 55.2 Ų | 55.2 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | trans | -69.1 | 128.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N542 Y544 V558 D594 | N542-A589 HydrophobicContact CB-CB 4.19Å; N542-A589 PolarHBondContact ND2-O 2.84Å; N542-A589 PolarHBondContact O-N 2.83Å; Y544-A589 HydrophobicContact CD1-CB 4.16Å; Y544-A589 HydrophobicContact CE1-CB 4.12Å; V558-A589 HydrophobicContact CG1-CB 3.79Å; V558-A589 HydrophobicContact CG2-CB 3.88Å; A589-D594 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 590 | N | 92.2 | Very high | 94.8 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | trans | -132.4 | 164.3 | 176.4 | -56.8 | -48.5 | 0 | 0 | 0 | 111 | V592 K593 D594 T595 | N590-V592 PolarHBondContact O-N 2.95Å; N590-K593 WeakPolarHBondContact CB-O 3.22Å; N590-K593 PolarHBondContact ND2-O 2.93Å; N590-D594 PolarHBondContact N-OD1 3.27Å; N590-T595 PolarHBondContact ND2-N 2.88Å; N590-T595 PolarHBondContact ND2-OG1 3.13Å | ||
| 591 | L | 89 | Confident | 94.9 | Very high | 185 Ų | 185 | 49.3 Ų | 49.3 | 97% | 0.969 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -60.7 | -40 | -178.2 | -70.1 | 169.2 | 0 | 0 | 0 | 114.1 | ||
| 592 | V | 88.4 | Confident | 94.9 | Very high | 147 Ų | 147 | 46.2 Ų | 46.2 | 89% | 0.891 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -106.3 | -47.1 | -172.8 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | N590 | N590-V592 PolarHBondContact O-N 2.95Š|
| 593 | K | 91.5 | Very high | 94.8 | Very high | 171 Ų | 171 | 50.4 Ų | 50.4 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -153.7 | 126.7 | -178.5 | -175.3 | 179.5 | -179.1 | 178.3 | 0 | 110.5 | N590 | N590-K593 WeakPolarHBondContact CB-O 3.22Å; N590-K593 PolarHBondContact ND2-O 2.93Å |
| 594 | D | 94.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 47.1 Ų | 47.1 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 140.9 | 178.9 | -67.4 | -3.3 | 0 | 0 | 0 | 111.9 | Y544 W587 S588 A589 N590 | Y544-D594 HydrophobicContact CE1-CB 4.5Å; Y544-D594 VanDerWaalsContact CE1-OD2 3.22Å; Y544-D594 WeakPolarHBondContact CE1-OD2 3.31Å; Y544-D594 VanDerWaalsContact CZ-OD2 3.26Å; Y544-D594 PolarHBondContact OH-OD2 3.31Å; W587-D594 HydrophobicContact CE3-CB 4.24Å; S588-D594 CarbonylContact O-C 3.42Å; S588-D594 VanDerWaalsContact O-CA 3.25Å; S588-D594 WeakPolarHBondContact O-CA 3.08Å; S588-D594 WeakPolarHBondContact O-CB 3.45Å; A589-D594 WeakPolarHBondContact CA-OD1 3.43Å; N590-D594 PolarHBondContact N-OD1 3.27Å |
| 595 | T | 93.5 | Very high | 94.4 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.8 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 109.2 | W587 S588 N590 L597 | W587-T595 CarbonylContact C-O 3.49Å; W587-T595 VanDerWaalsContact CA-O 3.24Å; W587-T595 WeakPolarHBondContact CA-O 3.34Å; S588-T595 PolarHBondContact N-O 3.38Å; S588-T595 PolarHBondContact O-N 2.84Å; N590-T595 PolarHBondContact ND2-N 2.88Å; N590-T595 PolarHBondContact ND2-OG1 3.13Å; T595-L597 HydrophobicContact CG2-CD2 4.22Å |
| 596 | F | 93.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.6 | 170.4 | 178.5 | -99.5 | 0 | 0 | 0 | 109.9 | E585 W587 G598 C599 K620 | E585-F596 HydrophobicContact CB-CE2 4.35Å; E585-F596 HydrophobicContact CG-CE2 4.44Å; W587-F596 HydrophobicContact CD2-CB 4.44Å; W587-F596 HydrophobicContact CD2-CD2 4.16Å; W587-F596 AromaticContact CE2-CD2 3.85Å; W587-F596 HydrophobicContact CE3-CB 3.88Å; W587-F596 HydrophobicContact CE3-CD2 4.38Å; W587-F596 HydrophobicContact CH2-CB 4.14Å; W587-F596 HydrophobicContact CH2-CD2 4.07Å; W587-F596 AromaticContact CZ2-CD2 3.8Å; W587-F596 HydrophobicContact CZ2-CD2 3.8Å; W587-F596 HydrophobicContact CZ3-CB 3.72Å; W587-F596 HydrophobicContact CZ3-CD2 4.35Å; F596-G598 VanDerWaalsContact CE1-CA 3.45Å; F596-G598 VanDerWaalsContact CE2-O 3.23Å; F596-G598 WeakPolarHBondContact CE2-O 3.38Å; F596-G598 VanDerWaalsContact CZ-CA 3.49Å; F596-G598 VanDerWaalsContact CZ-O 3.31Å; F596-G598 WeakPolarHBondContact CZ-O 3.15Å; F596-C599 HydrophobicContact CE2-CB 4.05Å; F596-C599 HydrophobicContact CZ-CB 3.7Å; F596-K620 HydrophobicContact CD1-CD 4.23Å; F596-K620 HydrophobicContact CD1-CG 3.88Å; F596-K620 HydrophobicContact CE1-CD 4.39Å; F596-K620 HydrophobicContact CE1-CG 3.6Å; F596-K620 HydrophobicContact CZ-CG 4.05Å |
| 597 | L | 94.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -30.5 | 179.5 | -58.4 | -175.8 | 0 | 0 | 0 | 112.3 | L534 I541 P543 V586 T595 | L534-L597 HydrophobicContact CB-CD1 4.48Å; L534-L597 HydrophobicContact CD1-CD1 4.06Å; I541-L597 HydrophobicContact CG2-CD1 3.75Å; P543-L597 HydrophobicContact CB-CD1 4.22Å; V586-L597 HydrophobicContact CB-CB 4.35Å; V586-L597 HydrophobicContact CG1-CB 4.1Å; V586-L597 HydrophobicContact CG1-CD1 4.07Å; V586-L597 PolarHBondContact O-N 3.14Å; T595-L597 HydrophobicContact CG2-CD2 4.22Å |
| 598 | G | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | 173.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | V586 F596 E618 | V586-G598 PolarHBondContact N-O 3.45Å; V586-G598 PolarHBondContact O-N 2.55Å; F596-G598 VanDerWaalsContact CE1-CA 3.45Å; F596-G598 VanDerWaalsContact CE2-O 3.23Å; F596-G598 WeakPolarHBondContact CE2-O 3.38Å; F596-G598 VanDerWaalsContact CZ-CA 3.49Å; F596-G598 VanDerWaalsContact CZ-O 3.31Å; F596-G598 WeakPolarHBondContact CZ-O 3.15Å; G598-E618 CarbonylContact C-O 3.5Å; G598-E618 WeakPolarHBondContact CA-O 3.35Å |
| 599 | C | 95.7 | Very high | 93.3 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 10% | 0.095 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 163.3 | 171.7 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | V584 E585 F596 E618 | V584-C599 CarbonylContact O-C 3.12Å; V584-C599 WeakPolarHBondContact O-CA 3.39Å; V584-C599 VanDerWaalsContact O-CB 3.3Å; V584-C599 WeakPolarHBondContact O-CB 3.38Å; E585-C599 HydrophobicContact CG-CB 4.26Å; F596-C599 HydrophobicContact CE2-CB 4.05Å; F596-C599 HydrophobicContact CZ-CB 3.7Å; C599-E618 PolarHBondContact N-O 3.16Å; C599-E618 PolarHBondContact O-N 2.99Å |
| 600 | L | 95.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 128.1 | 175.8 | 175.8 | 62.7 | 0 | 0 | 0 | 108.4 | V584 L602 K615 L617 I635 Y637 | V584-L600 HydrophobicContact CB-CB 4.33Å; V584-L600 PolarHBondContact N-O 3.43Å; V584-L600 PolarHBondContact O-N 2.87Å; L600-L602 HydrophobicContact CD1-CD2 4.28Å; L600-L602 HydrophobicContact CD2-CD2 3.54Å; L600-L602 HydrophobicContact CD2-CG 4.06Å; L600-L602 HydrophobicContact CG-CD2 3.72Å; L600-L602 HydrophobicContact CG-CG 4.01Å; L600-K615 HydrophobicContact CD1-CB 3.82Å; L600-K615 HydrophobicContact CD1-CD 4.03Å; L600-K615 HydrophobicContact CD2-CB 3.93Å; L600-L617 HydrophobicContact CB-CD2 4.4Å; L600-I635 HydrophobicContact CD2-CB 4.1Å; L600-I635 HydrophobicContact CD2-CG2 4.31Å; L600-Y637 HydrophobicContact CD2-CD1 4.36Å; L600-Y637 HydrophobicContact CD2-CE1 4.07Å |
| 601 | L | 96.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 67.9 Ų | 67.9 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.4 | 170.5 | -64.9 | 176.6 | 0 | 0 | 0 | 108.7 | P581 K583 | P581-L601 HydrophobicContact CB-CB 4.23Å; P581-L601 HydrophobicContact CG-CD2 4.38Å; K583-L601 HydrophobicContact CB-CD2 3.78Å; K583-L601 HydrophobicContact CD-CD2 4.2Å; K583-L601 HydrophobicContact CG-CD2 3.74Å |
| 602 | L | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.6 | -179.9 | -65.7 | 176.6 | 0 | 0 | 0 | 109.9 | L526 P581 I582 V584 L600 K615 Y637 | L526-L602 HydrophobicContact CD1-CD1 3.76Å; L526-L602 HydrophobicContact CD2-CD1 3.93Å; P581-L602 CarbonylContact C-O 3.59Å; P581-L602 WeakPolarHBondContact CA-O 3.41Å; P581-L602 WeakPolarHBondContact CB-O 3.15Å; I582-L602 HydrophobicContact CB-CB 4.44Å; I582-L602 PolarHBondContact N-O 3.48Å; I582-L602 PolarHBondContact O-N 2.83Å; V584-L602 HydrophobicContact CG2-CD1 3.88Å; V584-L602 HydrophobicContact CG2-CG 4.49Å; L600-L602 HydrophobicContact CD1-CD2 4.28Å; L600-L602 HydrophobicContact CD2-CD2 3.54Å; L600-L602 HydrophobicContact CD2-CG 4.06Å; L600-L602 HydrophobicContact CG-CD2 3.72Å; L600-L602 HydrophobicContact CG-CG 4.01Å; L602-K615 HydrophobicContact CD2-CD 4.44Å; L602-Y637 HydrophobicContact CD1-CD2 4.04Å; L602-Y637 HydrophobicContact CD1-CE2 4.02Å; L602-Y637 HydrophobicContact CD1-CG 4.48Å; L602-Y637 HydrophobicContact CD2-CD2 4.4Å; L602-Y637 HydrophobicContact CD2-CE1 3.87Å; L602-Y637 HydrophobicContact CD2-CE2 3.65Å; L602-Y637 WeakPolarHBondContact CD2-OH 3.03Å; L602-Y637 HydrophobicContact CG-CE2 4.48Å |
| 603 | S | 94.9 | Very high | 94.1 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | trans | -76.6 | 121.8 | 161.5 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 604 | C | 94.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | trans | -129.3 | 69.4 | -175.4 | -55.3 | 0 | 0 | 0 | 0 | 109.4 | T524 R575 I582 V639 | T524-C604 HydrophobicContact CG2-CB 4.13Å; R575-C604 PolarHBondContact NH1-O 2.83Å; I582-C604 HydrophobicContact CD1-CB 4.46Å; C604-V639 HydrophobicContact CB-CG2 4.18Å | ||
| 605 | P | 93.5 | Very high | 94.4 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | trans | -67.4 | 156.5 | 174.5 | 30.9 | -35.1 | 0 | 0 | 0 | 110.3 | T607 T641 | P605-T607 HydrophobicContact CG-CG2 4.46Å; P605-T607 PolarHBondContact O-N 2.88Å; P605-T607 VanDerWaalsContact O-N 3.16Å; P605-T641 WeakPolarHBondContact O-CB 3.42Å | ||
| 606 | P | 92.1 | Very high | 94.5 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | trans | -60.7 | 117.7 | 170.8 | -18.3 | 31.9 | 0 | 0 | 0 | 109.9 | C522 T641 D643 | C522-P606 HydrophobicContact CB-CG 3.84Å; P606-T641 WeakPolarHBondContact CA-O 3.46Å; P606-T641 HydrophobicContact CB-CG2 4.26Å; P606-T641 HydrophobicContact CG-CG2 4.17Å; P606-D643 HydrophobicContact CB-CB 4.44Å | ||
| 607 | T | 91.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 59 Ų | 59 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | trans | -118.1 | -13.4 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | P605 D609 T641 | P605-T607 HydrophobicContact CG-CG2 4.46Å; P605-T607 PolarHBondContact O-N 2.88Å; P605-T607 VanDerWaalsContact O-N 3.16Å; T607-D609 PolarHBondContact O-N 2.82Å; T607-D609 VanDerWaalsContact O-N 3.13Å; T607-D609 PolarHBondContact OG1-N 3.01Å; T607-D609 PolarHBondContact OG1-O 2.81Å; T607-D609 VanDerWaalsContact OG1-O 3.14Å; T607-T641 PolarHBondContact N-O 3.22Å; T607-T641 VanDerWaalsContact N-O 3.12Å | ||
| 608 | N | 89.5 | Confident | 94.4 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 54.9 | 23.8 | -171.7 | -62.3 | -25.3 | 0 | 0 | 0 | 113.3 | T641 F642 D643 | N608-T641 PolarHBondContact N-O 2.91Å; N608-F642 HydrophobicContact CB-CD1 4.25Å; N608-F642 VanDerWaalsContact OD1-CA 3.25Å; N608-F642 WeakPolarHBondContact OD1-CA 3.3Å; N608-D643 PolarHBondContact ND2-OD1 2.89Å; N608-D643 PolarHBondContact ND2-OD2 2.91Å; N608-D643 PolarHBondContact OD1-N 2.83Å; N608-D643 PolarHBondContact OD1-OD1 3.24Å |
| 609 | D | 91.4 | Very high | 94 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -141.9 | 157.4 | -179.4 | -165.7 | 14 | 0 | 0 | 0 | 111.1 | T607 | T607-D609 PolarHBondContact O-N 2.82Å; T607-D609 VanDerWaalsContact O-N 3.13Å; T607-D609 PolarHBondContact OG1-N 3.01Å; T607-D609 PolarHBondContact OG1-O 2.81Å; T607-D609 VanDerWaalsContact OG1-O 3.14Å |
| 610 | K | 93.2 | Very high | 92.8 | Very high | 126 Ų | 126 | 72.1 Ų | 72.1 | 55% | 0.548 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.2 | 179.3 | -176.2 | 176.9 | 179.3 | 175.1 | 0 | 110.3 | S638 V639 A640 | K610-S638 WeakPolarHBondContact CE-OG 3.1Å; K610-S638 PolarHBondContact NZ-OG 3.02Å; K610-V639 WeakPolarHBondContact CA-O 3.1Å; K610-A640 HydrophobicContact CB-CB 4.15Å; K610-A640 HydrophobicContact CG-CB 4.45Å |
| 611 | T | 95.1 | Very high | 91.1 | Very high | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.411 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.7 | 173 | 61 | 0 | 0 | 0 | 0 | 110.2 | S638 V639 | T611-S638 CarbonylContact O-C 3.53Å; T611-S638 WeakPolarHBondContact O-CA 3.4Å; T611-S638 WeakPolarHBondContact O-CB 3.22Å; T611-V639 PolarHBondContact N-O 3.48Å; T611-V639 PolarHBondContact O-N 2.79Å; T611-V639 VanDerWaalsContact OG1-CG1 3.22Å; T611-V639 WeakPolarHBondContact OG1-CG1 3.39Å; T611-V639 PolarHBondContact OG1-O 2.99Å |
| 612 | T | 97.2 | Very high | 88.6 | Confident | 111 Ų | 111 | 80.9 Ų | 80.9 | 68% | 0.681 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 133 | 172.8 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | Y637 S638 | T612-Y637 WeakPolarHBondContact CA-O 3.31Å; T612-S638 WeakPolarHBondContact OG1-CB 3.28Å |
| 613 | A | 96.9 | Very high | 85.8 | Confident | 32 Ų | 32 | 83.8 Ų | 83.8 | 26% | 0.264 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 161.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y637 | A613-Y637 HydrophobicContact CB-CE1 3.98Å; A613-Y637 HydrophobicContact CB-CE2 4.45Å; A613-Y637 PolarHBondContact N-O 2.98Å; A613-Y637 WeakPolarHBondContact O-CD1 3.22Å; A613-Y637 PolarHBondContact O-N 3.34Å |
| 614 | E | 96.3 | Very high | 82.7 | Confident | 117 Ų | 117 | 87.5 Ų | 87.5 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.6 | 166.7 | -54.5 | -173.9 | 176.6 | 0 | 0 | 109.2 | K634 I635 M636 | E614-K634 IonicContact OE2-NZ 3.86Å; E614-I635 VanDerWaalsContact CA-O 3.28Å; E614-I635 WeakPolarHBondContact CA-O 3.23Å; E614-M636 HydrophobicContact CG-CG 3.94Å |
| 615 | K | 95.6 | Very high | 79.9 | Confident | 93 Ų | 93 | 94 Ų | 94 | 40% | 0.404 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145 | 178 | -74 | -172.6 | 177.5 | 168.5 | 0 | 111.7 | L600 L602 K634 I635 Y637 | L600-K615 HydrophobicContact CD1-CB 3.82Å; L600-K615 HydrophobicContact CD1-CD 4.03Å; L600-K615 HydrophobicContact CD2-CB 3.93Å; L602-K615 HydrophobicContact CD2-CD 4.44Å; K615-K634 CarbonylContact O-C 3.59Å; K615-K634 WeakPolarHBondContact O-CA 3.21Å; K615-I635 PolarHBondContact N-O 2.89Å; K615-I635 PolarHBondContact O-N 2.8Å; K615-Y637 HydrophobicContact CB-CE1 4.27Å; K615-Y637 HydrophobicContact CD-CE1 4.25Å; K615-Y637 VanDerWaalsContact CD-OH 3.31Å; K615-Y637 WeakPolarHBondContact CD-OH 3.31Å; K615-Y637 VanDerWaalsContact CE-OH 3.22Å; K615-Y637 WeakPolarHBondContact CE-OH 3.24Å; K615-Y637 HydrophobicContact CG-CE1 4.1Å; K615-Y637 PolarHBondContact NZ-OH 2.83Å |
| 616 | L | 95.6 | Very high | 77 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 144.2 | 175.1 | -71.3 | 168.1 | 0 | 0 | 0 | 110.6 | R631 K634 | L616-R631 HydrophobicContact CD2-CG 4.34Å; L616-K634 HydrophobicContact CD2-CG 3.74Å; L616-K634 HydrophobicContact CG-CG 4.41Å |
| 617 | L | 94.9 | Very high | 74.7 | Confident | 12 Ų | 12 | 100.3 Ų | 100.3 | 6% | 0.063 | 56% | 0.563 | C | S | . | * | trans | -76.7 | 144.8 | 169.8 | -73.6 | 170.8 | 0 | 0 | 0 | 111.1 | L534 V586 L600 L632 G633 I635 | L534-L617 HydrophobicContact CD2-CD1 3.64Å; V586-L617 HydrophobicContact CB-CD1 4.23Å; V586-L617 HydrophobicContact CG2-CD1 3.99Å; V586-L617 HydrophobicContact CG2-CD2 3.79Å; L600-L617 HydrophobicContact CB-CD2 4.4Å; L617-L632 HydrophobicContact CB-CB 3.92Å; L617-G633 PolarHBondContact N-O 3.01Å; L617-I635 HydrophobicContact CD1-CG1 4.43Å; L617-I635 HydrophobicContact CD2-CD1 4.17Å; L617-I635 HydrophobicContact CD2-CG1 3.51Å; L617-I635 HydrophobicContact CG-CG1 3.97Å | ||
| 618 | E | 92.4 | Very high | 72.3 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 45% | 0.453 | 58% | 0.582 | S | S | . | * | B | Isolated β-bridge | trans | -106.2 | 145.9 | 174.9 | -62 | -179.9 | -176.7 | 0 | 0 | 111.2 | G598 C599 | G598-E618 CarbonylContact C-O 3.5Å; G598-E618 WeakPolarHBondContact CA-O 3.35Å; C599-E618 PolarHBondContact N-O 3.16Å; C599-E618 PolarHBondContact O-N 2.99Å |
| 619 | G | 86 | Confident | 70.2 | Confident | 40 Ų | 40 | 111.1 Ų | 111.1 | 41% | 0.412 | 61% | 0.605 | S | S | . | * | trans | -76.9 | -179.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G621 | G619-G621 PolarHBondContact O-N 2.81Š| ||
| 620 | K | 70.8 | Confident | 68.5 | Low | 159 Ų | 159 | 108 Ų | 108 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -81.2 | 93.1 | 171.3 | -70.9 | -174.8 | -177.6 | 176.7 | 0 | 110 | F596 | F596-K620 HydrophobicContact CD1-CD 4.23Å; F596-K620 HydrophobicContact CD1-CG 3.88Å; F596-K620 HydrophobicContact CE1-CD 4.39Å; F596-K620 HydrophobicContact CE1-CG 3.6Å; F596-K620 HydrophobicContact CZ-CG 4.05Å |
| 621 | G | 58.7 | Low | 67.4 | Low | 66 Ų | 66 | 110.7 Ų | 110.7 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | trans | 139.1 | 127.2 | 166 | 0 | 0 | 0 | 0 | 0 | 114.1 | G619 G623 | G619-G621 PolarHBondContact O-N 2.81Å; G621-G623 PolarHBondContact O-N 2.85Å | ||
| 622 | K | 43.8 | Very low | 67 | Low | 213 Ų | 213 | 110 Ų | 110 | 93% | 0.926 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -89.9 | 41.8 | 164 | -83.4 | -169.5 | 172.7 | -176.3 | 0 | 111.1 | ||
| 623 | G | 37 | Very low | 66.9 | Low | 62 Ų | 62 | 104.9 Ų | 104.9 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | trans | 174 | 88.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G621 | G621-G623 PolarHBondContact O-N 2.85Š| ||
| 624 | N | 30.9 | Very low | 66.8 | Low | 165 Ų | 165 | 107.2 Ų | 107.2 | 88% | 0.882 | 57% | 0.571 | S | S | * | * | -171.3 | 139.6 | 123.9 | -113.6 | 0.1 | 0 | 0 | 0 | 108.8 | |||||
| 625 | D | 35.4 | Very low | 66.9 | Low | 142 Ų | 142 | 101.6 Ų | 101.6 | 76% | 0.759 | 55% | 0.545 | S | S | * | . | trans | -45.9 | 158.1 | 174.5 | -81 | -45.5 | 0 | 0 | 0 | 114.5 | ||||
| 626 | N | 33.5 | Very low | 67 | Low | 145 Ų | 145 | 99.5 Ų | 99.5 | 78% | 0.775 | 54% | 0.537 | S | S | * | . | trans | 92.7 | 92.1 | 161.9 | -60 | -23.9 | 0 | 0 | 0 | 117.4 | ||||
| 627 | S | 43.3 | Very low | 67.1 | Low | 103 Ų | 103 | 95.7 Ų | 95.7 | 72% | 0.72 | 52% | 0.516 | S | S | * | . | 57.4 | 73.1 | 121.4 | 68.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 628 | E | 41 | Very low | 67.2 | Low | 191 Ų | 191 | 95.4 Ų | 95.4 | 89% | 0.893 | 52% | 0.515 | S | S | * | . | trans | -168.3 | 85.6 | 135.6 | -105.7 | 177.9 | -163.1 | 0 | 0 | 107.4 | G630 | E628-G630 PolarHBondContact O-N 3.36Š| ||
| 629 | H | 44.6 | Very low | 67.4 | Low | 198 Ų | 198 | 91.4 Ų | 91.4 | 92% | 0.917 | 50% | 0.498 | S | S | * | . | trans | -70.6 | 50.7 | 174.1 | -73.6 | -64.7 | 0 | 0 | 0 | 111.8 | R631 | H629-R631 PolarHBondContact O-N 3.21Š| ||
| 630 | G | 56.5 | Low | 67.8 | Low | 39 Ų | 39 | 89.9 Ų | 89.9 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | trans | -64 | 120 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109 | E628 L632 | E628-G630 PolarHBondContact O-N 3.36Å; G630-L632 PolarHBondContact O-N 2.93Å | ||
| 631 | R | 69.3 | Low | 69 | Low | 183 Ų | 183 | 82.4 Ų | 82.4 | 69% | 0.691 | 45% | 0.448 | S | S | * | . | trans | -58.1 | 108 | 171.2 | -72.3 | 178.5 | 178.2 | 172.5 | 0.1 | 107.8 | Q535 L616 H629 G633 | Q535-R631 WeakPolarHBondContact CG-O 3.23Å; Q535-R631 PolarHBondContact NE2-O 2.77Å; Q535-R631 PolarHBondContact OE1-O 3.22Å; L616-R631 HydrophobicContact CD2-CG 4.34Å; H629-R631 PolarHBondContact O-N 3.21Å; R631-G633 PolarHBondContact O-N 2.97Å | ||
| 632 | L | 88.1 | Confident | 70.6 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 28% | 0.277 | 42% | 0.418 | S | S | . | . | trans | -62.6 | -7 | 178.6 | -64.3 | 177.2 | 0 | 0 | 0 | 113.9 | L617 G630 | L617-L632 HydrophobicContact CB-CB 3.92Å; G630-L632 PolarHBondContact O-N 2.93Å | ||
| 633 | G | 93.8 | Very high | 72.7 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | trans | 111.1 | 178.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A532 G533 L617 R631 | A532-G633 CarbonylContact O-C 3.52Å; A532-G633 WeakPolarHBondContact O-CA 3.13Å; G533-G633 VanDerWaalsContact O-CA 3.31Å; G533-G633 WeakPolarHBondContact O-CA 3.3Å; L617-G633 PolarHBondContact N-O 3.01Å; R631-G633 PolarHBondContact O-N 2.97Å | ||
| 634 | K | 96.2 | Very high | 74.9 | Confident | 80 Ų | 80 | 73.8 Ų | 73.8 | 35% | 0.348 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 152 | 176.7 | -65 | 176.4 | -179.8 | -178.7 | 0 | 110.5 | A531 A532 E614 K615 L616 | A531-K634 CarbonylContact C-O 3.53Å; A531-K634 WeakPolarHBondContact CA-O 3.47Å; A531-K634 VanDerWaalsContact CB-O 3.28Å; A531-K634 WeakPolarHBondContact CB-O 3.04Å; A532-K634 PolarHBondContact N-O 2.85Å; A532-K634 PolarHBondContact O-N 3.16Å; E614-K634 IonicContact OE2-NZ 3.86Å; K615-K634 CarbonylContact O-C 3.59Å; K615-K634 WeakPolarHBondContact O-CA 3.21Å; L616-K634 HydrophobicContact CD2-CG 3.74Å; L616-K634 HydrophobicContact CG-CG 4.41Å |
| 635 | I | 97.4 | Very high | 77 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.3 | 167.3 | -66 | -66.5 | 0 | 0 | 0 | 109.1 | I528 A531 W567 V586 L600 E614 K615 L617 Y637 | I528-I635 HydrophobicContact CD1-CG2 4.32Å; I528-I635 HydrophobicContact CG2-CG2 4.05Å; A531-I635 HydrophobicContact CB-CD1 3.76Å; W567-I635 HydrophobicContact CH2-CD1 4.14Å; W567-I635 HydrophobicContact CZ3-CD1 3.71Å; V586-I635 HydrophobicContact CG2-CD1 3.47Å; V586-I635 VanDerWaalsContact CG2-CD1 3.47Å; V586-I635 HydrophobicContact CG2-CG1 4.23Å; L600-I635 HydrophobicContact CD2-CB 4.1Å; L600-I635 HydrophobicContact CD2-CG2 4.31Å; E614-I635 VanDerWaalsContact CA-O 3.28Å; E614-I635 WeakPolarHBondContact CA-O 3.23Å; K615-I635 PolarHBondContact N-O 2.89Å; K615-I635 PolarHBondContact O-N 2.8Å; L617-I635 HydrophobicContact CD1-CG1 4.43Å; L617-I635 HydrophobicContact CD2-CD1 4.17Å; L617-I635 HydrophobicContact CD2-CG1 3.51Å; L617-I635 HydrophobicContact CG-CG1 3.97Å; I635-Y637 HydrophobicContact CG2-CD1 4.1Å |
| 636 | M | 98 | Very high | 79 | Confident | 48 Ų | 48 | 64 Ų | 64 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.9 | 171.7 | -61.1 | 169.9 | -74.7 | 0 | 0 | 108.3 | T529 G530 A532 E614 | T529-M636 PolarHBondContact N-O 3.34Å; G530-M636 PolarHBondContact N-O 2.9Å; G530-M636 PolarHBondContact O-N 3.24Å; A532-M636 HydrophobicContact CB-CE 4.35Å; E614-M636 HydrophobicContact CG-CG 3.94Å |
| 637 | Y | 97.9 | Very high | 80.8 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160.6 | -177.1 | 68.7 | -78.7 | 0 | 0 | 0 | 112.6 | L526 H527 L600 L602 T612 A613 K615 I635 V639 | L526-Y637 HydrophobicContact CD1-CD2 3.77Å; L526-Y637 HydrophobicContact CD1-CG 4.41Å; H527-Y637 CarbonylContact O-C 3.5Å; H527-Y637 WeakPolarHBondContact O-CA 3.14Å; H527-Y637 WeakPolarHBondContact O-CB 3.44Å; L600-Y637 HydrophobicContact CD2-CD1 4.36Å; L600-Y637 HydrophobicContact CD2-CE1 4.07Å; L602-Y637 HydrophobicContact CD1-CD2 4.04Å; L602-Y637 HydrophobicContact CD1-CE2 4.02Å; L602-Y637 HydrophobicContact CD1-CG 4.48Å; L602-Y637 HydrophobicContact CD2-CD2 4.4Å; L602-Y637 HydrophobicContact CD2-CE1 3.87Å; L602-Y637 HydrophobicContact CD2-CE2 3.65Å; L602-Y637 WeakPolarHBondContact CD2-OH 3.03Å; L602-Y637 HydrophobicContact CG-CE2 4.48Å; T612-Y637 WeakPolarHBondContact CA-O 3.31Å; A613-Y637 HydrophobicContact CB-CE1 3.98Å; A613-Y637 HydrophobicContact CB-CE2 4.45Å; A613-Y637 PolarHBondContact N-O 2.98Å; A613-Y637 WeakPolarHBondContact O-CD1 3.22Å; A613-Y637 PolarHBondContact O-N 3.34Å; K615-Y637 HydrophobicContact CB-CE1 4.27Å; K615-Y637 HydrophobicContact CD-CE1 4.25Å; K615-Y637 VanDerWaalsContact CD-OH 3.31Å; K615-Y637 WeakPolarHBondContact CD-OH 3.31Å; K615-Y637 VanDerWaalsContact CE-OH 3.22Å; K615-Y637 WeakPolarHBondContact CE-OH 3.24Å; K615-Y637 HydrophobicContact CG-CE1 4.1Å; K615-Y637 PolarHBondContact NZ-OH 2.83Å; I635-Y637 HydrophobicContact CG2-CD1 4.1Å; Y637-V639 HydrophobicContact CD2-CB 4.36Å; Y637-V639 HydrophobicContact CD2-CG1 4.37Å; Y637-V639 HydrophobicContact CE2-CB 4.44Å; Y637-V639 HydrophobicContact CE2-CG1 3.99Å |
| 638 | S | 97 | Very high | 82.1 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.6 | 162.9 | 67.8 | 0 | 0 | 0 | 0 | 111 | H527 K610 T611 T612 | H527-S638 PolarHBondContact N-O 2.83Å; H527-S638 PolarHBondContact O-N 3Å; K610-S638 WeakPolarHBondContact CE-OG 3.1Å; K610-S638 PolarHBondContact NZ-OG 3.02Å; T611-S638 CarbonylContact O-C 3.53Å; T611-S638 WeakPolarHBondContact O-CA 3.4Å; T611-S638 WeakPolarHBondContact O-CB 3.22Å; T612-S638 WeakPolarHBondContact OG1-CB 3.28Å |
| 639 | V | 96.3 | Very high | 84.2 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.2 | -177.6 | 63.9 | 0 | 0 | 0 | 0 | 110.6 | T524 Q525 L526 C604 K610 T611 Y637 | T524-V639 HydrophobicContact CG2-CG2 3.59Å; Q525-V639 WeakPolarHBondContact O-CA 3.39Å; L526-V639 HydrophobicContact CD1-CB 3.83Å; L526-V639 HydrophobicContact CD1-CG2 4.13Å; C604-V639 HydrophobicContact CB-CG2 4.18Å; K610-V639 WeakPolarHBondContact CA-O 3.1Å; T611-V639 PolarHBondContact N-O 3.48Å; T611-V639 PolarHBondContact O-N 2.79Å; T611-V639 VanDerWaalsContact OG1-CG1 3.22Å; T611-V639 WeakPolarHBondContact OG1-CG1 3.39Å; T611-V639 PolarHBondContact OG1-O 2.99Å; Y637-V639 HydrophobicContact CD2-CB 4.36Å; Y637-V639 HydrophobicContact CD2-CG1 4.37Å; Y637-V639 HydrophobicContact CE2-CB 4.44Å; Y637-V639 HydrophobicContact CE2-CG1 3.99Å |
| 640 | A | 94.5 | Very high | 86.3 | Confident | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | T524 Q525 K610 F642 | T524-A640 CarbonylContact C-O 3.56Å; T524-A640 WeakPolarHBondContact CA-O 3.41Å; Q525-A640 PolarHBondContact N-O 3.13Å; Q525-A640 PolarHBondContact O-N 2.92Å; K610-A640 HydrophobicContact CB-CB 4.15Å; K610-A640 HydrophobicContact CG-CB 4.45Å; A640-F642 HydrophobicContact CB-CE2 3.61Å; A640-F642 HydrophobicContact CB-CZ 3.8Å |
| 641 | T | 95.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.9 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 110 | C522 V523 T524 P605 P606 T607 N608 | C522-T641 HydrophobicContact CB-CG2 3.83Å; V523-T641 CarbonylContact O-C 3.46Å; V523-T641 VanDerWaalsContact O-CA 3.25Å; V523-T641 WeakPolarHBondContact O-CA 3.22Å; T524-T641 WeakPolarHBondContact CG2-OG1 3.48Å; T524-T641 VanDerWaalsContact OG1-CG2 3.28Å; T524-T641 WeakPolarHBondContact OG1-CG2 3.36Å; T524-T641 PolarHBondContact OG1-OG1 3.36Å; P605-T641 WeakPolarHBondContact O-CB 3.42Å; P606-T641 WeakPolarHBondContact CA-O 3.46Å; P606-T641 HydrophobicContact CB-CG2 4.26Å; P606-T641 HydrophobicContact CG-CG2 4.17Å; T607-T641 PolarHBondContact N-O 3.22Å; T607-T641 VanDerWaalsContact N-O 3.12Å; N608-T641 PolarHBondContact N-O 2.91Å |
| 642 | F | 92.5 | Very high | 89 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 5% | 0.053 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.8 | -176.8 | -56 | -81.1 | 0 | 0 | 0 | 111.2 | C522 V523 N608 A640 Q647 | C522-F642 CarbonylContact C-O 3.35Å; C522-F642 VanDerWaalsContact CA-O 3.22Å; C522-F642 WeakPolarHBondContact CA-O 3.37Å; C522-F642 WeakPolarHBondContact CB-O 3.32Å; V523-F642 PolarHBondContact N-O 3.2Å; V523-F642 PolarHBondContact O-N 3.43Å; N608-F642 HydrophobicContact CB-CD1 4.25Å; N608-F642 VanDerWaalsContact OD1-CA 3.25Å; N608-F642 WeakPolarHBondContact OD1-CA 3.3Å; A640-F642 HydrophobicContact CB-CE2 3.61Å; A640-F642 HydrophobicContact CB-CZ 3.8Å; F642-Q647 HydrophobicContact CB-CB 3.76Å; F642-Q647 HydrophobicContact CB-CG 3.96Å; F642-Q647 HydrophobicContact CD1-CB 4.09Å; F642-Q647 HydrophobicContact CD1-CG 4.01Å; F642-Q647 HydrophobicContact CD2-CB 3.94Å; F642-Q647 HydrophobicContact CG-CB 3.65Å; F642-Q647 HydrophobicContact CG-CG 3.98Å |
| 643 | D | 88.9 | Confident | 89.1 | Confident | 93 Ų | 93 | 31.5 Ų | 31.5 | 50% | 0.497 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -80.3 | -24.3 | 172.4 | 51.4 | 3 | 0 | 0 | 0 | 113 | P606 N608 | P606-D643 HydrophobicContact CB-CB 4.44Å; N608-D643 PolarHBondContact ND2-OD1 2.89Å; N608-D643 PolarHBondContact ND2-OD2 2.91Å; N608-D643 PolarHBondContact OD1-N 2.83Å; N608-D643 PolarHBondContact OD1-OD1 3.24Å |
| 644 | D | 82.5 | Confident | 88.8 | Confident | 56 Ų | 56 | 33.4 Ų | 33.4 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | trans | -92.1 | 123.4 | 176.6 | 173.8 | 19.2 | 0 | 0 | 0 | 112.3 | Y646 Q647 | D644-Y646 PolarHBondContact O-N 2.78Å; D644-Y646 WeakPolarHBondContact OD1-CB 3.43Å; D644-Y646 WeakPolarHBondContact OD1-CD2 3.28Å; D644-Y646 PolarHBondContact OD1-N 2.87Å; D644-Q647 HydrophobicContact CB-CG 3.93Å; D644-Q647 WeakPolarHBondContact O-CB 3.2Å; D644-Q647 PolarHBondContact O-N 2.97Å; D644-Q647 PolarHBondContact OD2-NE2 3.43Å | ||
| 645 | P | 74.5 | Confident | 88.3 | Confident | 13 Ų | 13 | 30.1 Ų | 30.1 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -69.8 | -19.6 | 176.6 | 35.1 | -40.8 | 0 | 0 | 0 | 112.8 | A507 F520 V523 Q647 L648 | A507-P645 HydrophobicContact CB-CB 4.07Å; A507-P645 HydrophobicContact CB-CG 4.33Å; F520-P645 HydrophobicContact CE1-CB 4.3Å; F520-P645 HydrophobicContact CE1-CG 4.03Å; F520-P645 HydrophobicContact CE2-CB 3.83Å; F520-P645 HydrophobicContact CE2-CG 3.78Å; F520-P645 HydrophobicContact CZ-CB 3.73Å; F520-P645 VanDerWaalsContact CZ-CD 3.46Å; F520-P645 HydrophobicContact CZ-CG 3.3Å; V523-P645 HydrophobicContact CG2-CB 4.26Å; P645-Q647 PolarHBondContact O-N 3.34Å; P645-L648 WeakPolarHBondContact O-CB 3.31Å; P645-L648 WeakPolarHBondContact O-CD1 3.43Å; P645-L648 WeakPolarHBondContact O-CG 3.22Å; P645-L648 PolarHBondContact O-N 3.47Å; P645-L648 VanDerWaalsContact O-N 3.08Å |
| 646 | Y | 77 | Confident | 87.6 | Confident | 88 Ų | 88 | 32.4 Ų | 32.4 | 35% | 0.345 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -76.9 | -0 | 175.3 | -65.8 | -84.5 | 0 | 0 | 0 | 112.6 | W375 H444 D506 D644 L648 | W375-Y646 HydrophobicContact CD2-CD1 4.32Å; W375-Y646 HydrophobicContact CD2-CE1 4.11Å; W375-Y646 AromaticContact CE2-CD1 3.74Å; W375-Y646 AromaticContact CE2-CE1 3.73Å; W375-Y646 HydrophobicContact CG-CE1 4.46Å; W375-Y646 AromaticContact CH2-CD1 3.86Å; W375-Y646 HydrophobicContact CH2-CD1 3.86Å; W375-Y646 HydrophobicContact CH2-CG 4.44Å; W375-Y646 AromaticContact CZ2-CD1 3.48Å; W375-Y646 HydrophobicContact CZ2-CD1 3.48Å; W375-Y646 VanDerWaalsContact CZ2-CD1 3.48Å; W375-Y646 AromaticContact CZ2-CE1 3.98Å; W375-Y646 HydrophobicContact CZ2-CE1 3.98Å; W375-Y646 AromaticContact CZ2-CG 3.94Å; W375-Y646 HydrophobicContact CZ2-CG 3.94Å; W375-Y646 HydrophobicContact CZ3-CD1 4.42Å; W375-Y646 AromaticContact NE1-CE1 3.85Å; H444-Y646 WeakPolarHBondContact CB-O 3.48Å; H444-Y646 AromaticContact NE2-CD1 3.97Å; D506-Y646 HydrophobicContact CB-CD1 4.44Å; D506-Y646 HydrophobicContact CB-CE1 3.89Å; D644-Y646 PolarHBondContact O-N 2.78Å; D644-Y646 WeakPolarHBondContact OD1-CB 3.43Å; D644-Y646 WeakPolarHBondContact OD1-CD2 3.28Å; D644-Y646 PolarHBondContact OD1-N 2.87Å; Y646-L648 PolarHBondContact O-N 2.95Å |
| 647 | Q | 72.9 | Confident | 86.7 | Confident | 69 Ų | 69 | 31.1 Ų | 31.1 | 32% | 0.322 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -79.7 | 0.8 | 163.6 | -58.7 | -64.6 | -36.8 | 0 | 0 | 112.7 | F642 D644 P645 | F642-Q647 HydrophobicContact CB-CB 3.76Å; F642-Q647 HydrophobicContact CB-CG 3.96Å; F642-Q647 HydrophobicContact CD1-CB 4.09Å; F642-Q647 HydrophobicContact CD1-CG 4.01Å; F642-Q647 HydrophobicContact CD2-CB 3.94Å; F642-Q647 HydrophobicContact CG-CB 3.65Å; F642-Q647 HydrophobicContact CG-CG 3.98Å; D644-Q647 HydrophobicContact CB-CG 3.93Å; D644-Q647 WeakPolarHBondContact O-CB 3.2Å; D644-Q647 PolarHBondContact O-N 2.97Å; D644-Q647 PolarHBondContact OD2-NE2 3.43Å; P645-Q647 PolarHBondContact O-N 3.34Å |
| 648 | L | 70.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | trans | -53.9 | 0 | 173.7 | -79.9 | 166.9 | 0 | 0 | 0 | 112 | R439 Y441 H444 V523 I572 V574 P645 Y646 | R439-L648 PolarHBondContact NH1-OXT 3.29Å; R439-L648 PolarHBondContact NH2-OXT 2.78Å; Y441-L648 HydrophobicContact CD2-CD1 4.04Å; Y441-L648 HydrophobicContact CG-CD1 4.15Å; H444-L648 PolarHBondContact N-O 3.32Å; V523-L648 HydrophobicContact CB-CD2 4.41Å; V523-L648 HydrophobicContact CG1-CD2 3.43Å; V523-L648 VanDerWaalsContact CG1-CD2 3.43Å; V523-L648 HydrophobicContact CG1-CG 4.07Å; V523-L648 HydrophobicContact CG2-CD2 4.1Å; V523-L648 HydrophobicContact CG2-CG 4.15Å; I572-L648 HydrophobicContact CD1-CD2 3.35Å; I572-L648 HydrophobicContact CG1-CD2 3.79Å; V574-L648 HydrophobicContact CG2-CD2 4.33Å; P645-L648 WeakPolarHBondContact O-CB 3.31Å; P645-L648 WeakPolarHBondContact O-CD1 3.43Å; P645-L648 WeakPolarHBondContact O-CG 3.22Å; P645-L648 PolarHBondContact O-N 3.47Å; P645-L648 VanDerWaalsContact O-N 3.08Å; Y646-L648 PolarHBondContact O-N 2.95Å |
Retrieved 648 of 648 residues in 761 ms
(Link to these results)