| 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 | 64.2 | Low | 93 | Very high | 216 Ų | 216 | 113.5 Ų | 113.5 | 100% | 1.064 | 61% | 0.613 | S | S | * | * | 0 | 145.6 | 0 | -69.4 | -164.1 | -76.9 | 0 | 0 | 108.2 | |||||
| 2 | P | 89.6 | Confident | 93.5 | Very high | 132 Ų | 132 | 109.4 Ų | 109.4 | 86% | 0.857 | 59% | 0.588 | S | S | * | * | trans | -67.6 | 147.9 | 171.1 | 29.4 | -33.5 | 0 | 0 | 0 | 110.7 | ||||
| 3 | H | 94.7 | Very high | 93.9 | Very high | 154 Ų | 154 | 107.2 Ų | 107.2 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | trans | -112.9 | 144 | 174.5 | -70.1 | -90.1 | 0 | 0 | 0 | 109.8 | F5 | H3-F5 HydrophobicContact CB-CE2 3.95Å; H3-F5 HydrophobicContact CB-CZ 4.46Å | ||
| 4 | S | 95.1 | Very high | 94.2 | Very high | 103 Ų | 103 | 108.2 Ų | 108.2 | 72% | 0.72 | 57% | 0.566 | S | S | * | * | trans | -91.6 | 128.8 | -179.1 | -172 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 5 | F | 96.5 | Very high | 94.5 | Very high | 175 Ų | 175 | 106.1 Ų | 106.1 | 77% | 0.768 | 55% | 0.552 | S | S | * | * | trans | -124.6 | 88 | 168.6 | -62.1 | -84.8 | 0 | 0 | 0 | 108 | H3 F7 | H3-F5 HydrophobicContact CB-CE2 3.95Å; H3-F5 HydrophobicContact CB-CZ 4.46Å; F5-F7 PolarHBondContact O-N 2.67Å | ||
| 6 | P | 93.8 | Very high | 94.8 | Very high | 104 Ų | 104 | 99.4 Ų | 99.4 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | trans | -62.1 | 124.7 | -175.8 | -22.3 | 33.4 | 0 | 0 | 0 | 111.6 | ||||
| 7 | F | 95.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 95 Ų | 95 | 30% | 0.298 | 50% | 0.497 | S | S | . | . | trans | -97.7 | -7.7 | 174.8 | 74.1 | -85.1 | 0 | 0 | 0 | 113.5 | F5 Q178 M179 H220 | F5-F7 PolarHBondContact O-N 2.67Å; F7-Q178 HydrophobicContact CE2-CB 4.12Å; F7-M179 HydrophobicContact CD2-CG 3.89Å; F7-M179 HydrophobicContact CE2-CG 4.25Å; F7-H220 HydrophobicContact CD1-CB 4.38Å; F7-H220 HydrophobicContact CE1-CB 3.86Å; F7-H220 VanDerWaalsContact CE1-O 3.24Å; F7-H220 WeakPolarHBondContact CE1-O 3.46Å | ||
| 8 | L | 98.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 94.2 Ų | 94.2 | 6% | 0.058 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -118 | 130 | 173.7 | -60.8 | 174.3 | 0 | 0 | 0 | 110.1 | Q12 K13 L16 Q178 Y222 | L8-Q12 HydrophobicContact CB-CB 4.31Å; L8-Q12 HydrophobicContact CD2-CB 4.12Å; L8-K13 HydrophobicContact CB-CG 3.91Å; L8-K13 HydrophobicContact CD1-CG 4.26Å; L8-L16 HydrophobicContact CD1-CD1 3.86Å; L8-L16 HydrophobicContact CD2-CD1 4.24Å; L8-Q178 HydrophobicContact CD1-CB 4.26Å; L8-Q178 HydrophobicContact CD2-CB 4.31Å; L8-Q178 WeakPolarHBondContact CD2-O 3.15Å; L8-Y222 HydrophobicContact CD1-CD1 4.42Å; L8-Y222 HydrophobicContact CD1-CG 4.31Å |
| 9 | S | 98.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 90.3 Ų | 90.3 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | trans | -70.2 | 169.3 | 167.3 | 88.6 | 0 | 0 | 0 | 0 | 111.5 | E11 Q12 K13 | S9-E11 VanDerWaalsContact C-N 3.26Å; S9-E11 VanDerWaalsContact CB-OE2 3.32Å; S9-E11 WeakPolarHBondContact CB-OE2 3.37Å; S9-E11 PolarHBondContact O-N 3.25Å; S9-E11 PolarHBondContact OG-N 3.21Å; S9-E11 PolarHBondContact OG-OE2 3.32Å; S9-Q12 PolarHBondContact O-N 3.45Å; S9-Q12 PolarHBondContact OG-N 3.04Å; S9-K13 WeakPolarHBondContact O-CG 3.41Å; S9-K13 PolarHBondContact O-N 3.45Å | ||
| 10 | T | 98.4 | Very high | 95.6 | Very high | 108 Ų | 108 | 85.8 Ų | 85.8 | 66% | 0.663 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.2 | -38.8 | 174.4 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | K13 K14 | T10-K13 PolarHBondContact O-N 2.95Å; T10-K14 WeakPolarHBondContact O-CB 3.33Å; T10-K14 PolarHBondContact O-N 3.41Å |
| 11 | E | 98.6 | Very high | 95.8 | Very high | 132 Ų | 132 | 86.5 Ų | 86.5 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.4 | -44.1 | 179.2 | -58.6 | 66.9 | -141.7 | 0 | 0 | 110.8 | S9 K13 K14 E15 | S9-E11 VanDerWaalsContact C-N 3.26Å; S9-E11 VanDerWaalsContact CB-OE2 3.32Å; S9-E11 WeakPolarHBondContact CB-OE2 3.37Å; S9-E11 PolarHBondContact O-N 3.25Å; S9-E11 PolarHBondContact OG-N 3.21Å; S9-E11 PolarHBondContact OG-OE2 3.32Å; E11-K13 PolarHBondContact O-N 2.9Å; E11-K14 PolarHBondContact O-N 3.22Å; E11-E15 PolarHBondContact O-N 3.26Å |
| 12 | Q | 98.7 | Very high | 97.4 | Very high | 65 Ų | 65 | 80.1 Ų | 80.1 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.1 | -68.5 | 175.4 | -57.4 | 0 | 0 | 111.6 | L8 S9 K14 E15 L16 | L8-Q12 HydrophobicContact CB-CB 4.31Å; L8-Q12 HydrophobicContact CD2-CB 4.12Å; S9-Q12 PolarHBondContact O-N 3.45Å; S9-Q12 PolarHBondContact OG-N 3.04Å; Q12-K14 VanDerWaalsContact C-N 3.34Å; Q12-K14 PolarHBondContact O-N 3.35Å; Q12-E15 PolarHBondContact O-N 2.95Å; Q12-L16 WeakPolarHBondContact O-CG 3.48Å; Q12-L16 PolarHBondContact O-N 3.44Å |
| 13 | K | 98.9 | Very high | 97.9 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 173.4 | -75.2 | -179.4 | -179.6 | -176.9 | 0 | 111.8 | L8 S9 T10 E11 S17 Y222 | L8-K13 HydrophobicContact CB-CG 3.91Å; L8-K13 HydrophobicContact CD1-CG 4.26Å; S9-K13 WeakPolarHBondContact O-CG 3.41Å; S9-K13 PolarHBondContact O-N 3.45Å; T10-K13 PolarHBondContact O-N 2.95Å; E11-K13 PolarHBondContact O-N 2.9Å; K13-S17 VanDerWaalsContact O-CB 3.32Å; K13-S17 WeakPolarHBondContact O-CB 3.45Å; K13-S17 PolarHBondContact O-N 3.48Å; K13-Y222 HydrophobicContact CB-CD1 4.24Å; K13-Y222 HydrophobicContact CB-CE1 3.69Å; K13-Y222 HydrophobicContact CB-CE2 4.4Å; K13-Y222 HydrophobicContact CD-CD2 4.16Å; K13-Y222 HydrophobicContact CD-CE2 3.93Å; K13-Y222 HydrophobicContact CG-CD1 3.99Å; K13-Y222 HydrophobicContact CG-CD2 4.22Å; K13-Y222 HydrophobicContact CG-CE1 3.89Å; K13-Y222 HydrophobicContact CG-CE2 4.12Å; K13-Y222 HydrophobicContact CG-CG 4.15Å; K13-Y222 WeakPolarHBondContact O-CE1 3.29Å |
| 14 | K | 98.8 | Very high | 98.1 | Very high | 122 Ų | 122 | 66.8 Ų | 66.8 | 53% | 0.53 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -48.1 | 177.7 | -168.1 | -166.8 | -176 | -45.6 | 0 | 111.1 | T10 E11 Q12 L16 S17 D18 | T10-K14 WeakPolarHBondContact O-CB 3.33Å; T10-K14 PolarHBondContact O-N 3.41Å; E11-K14 PolarHBondContact O-N 3.22Å; Q12-K14 VanDerWaalsContact C-N 3.34Å; Q12-K14 PolarHBondContact O-N 3.35Å; K14-L16 PolarHBondContact O-N 2.92Å; K14-S17 PolarHBondContact O-N 2.65Å; K14-D18 IonicContact NZ-OD1 2.76Å; K14-D18 PolarHBondContact NZ-OD1 2.98Å; K14-D18 IonicContact NZ-OD2 2.96Å; K14-D18 PolarHBondContact NZ-OD2 2.84Å; K14-D18 WeakPolarHBondContact O-CB 3.1Å; K14-D18 PolarHBondContact O-N 2.86Å |
| 15 | E | 98.8 | Very high | 98.3 | Very high | 76 Ų | 76 | 63.4 Ų | 63.4 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55 | -52.7 | 178 | -177.9 | -173.3 | -174.7 | 0 | 0 | 111.4 | E11 Q12 S17 D18 I19 K138 | E11-E15 PolarHBondContact O-N 3.26Å; Q12-E15 PolarHBondContact O-N 2.95Å; E15-S17 VanDerWaalsContact C-N 3.32Å; E15-S17 PolarHBondContact O-N 2.65Å; E15-D18 PolarHBondContact O-N 2.58Å; E15-I19 HydrophobicContact CG-CD1 3.82Å; E15-I19 WeakPolarHBondContact O-CD1 3.34Å; E15-I19 VanDerWaalsContact O-CG1 3.25Å; E15-I19 WeakPolarHBondContact O-CG1 3.44Å; E15-I19 PolarHBondContact O-N 2.61Å; E15-K138 VanDerWaalsContact OE1-CE 3.24Å; E15-K138 WeakPolarHBondContact OE1-CE 3.46Å; E15-K138 IonicContact OE1-NZ 2.67Å; E15-K138 PolarHBondContact OE1-NZ 2.88Å |
| 16 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 179.6 | -69.8 | 166.7 | 0 | 0 | 0 | 112 | L8 Q12 K14 A20 Q178 V183 | L8-L16 HydrophobicContact CD1-CD1 3.86Å; L8-L16 HydrophobicContact CD2-CD1 4.24Å; Q12-L16 WeakPolarHBondContact O-CG 3.48Å; Q12-L16 PolarHBondContact O-N 3.44Å; K14-L16 PolarHBondContact O-N 2.92Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.24Å; L16-Q178 HydrophobicContact CD1-CB 3.89Å; L16-Q178 HydrophobicContact CD1-CG 3.88Å; L16-Q178 HydrophobicContact CD2-CG 4.43Å; L16-V183 HydrophobicContact CB-CG2 4.32Å; L16-V183 HydrophobicContact CD2-CG2 3.9Å; L16-V183 WeakPolarHBondContact O-CG2 3.32Å |
| 17 | S | 98.9 | Very high | 98.6 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 179.9 | -165.2 | 0 | 0 | 0 | 0 | 112.2 | K13 K14 E15 I19 A20 Q21 E224 | K13-S17 VanDerWaalsContact O-CB 3.32Å; K13-S17 WeakPolarHBondContact O-CB 3.45Å; K13-S17 PolarHBondContact O-N 3.48Å; K14-S17 PolarHBondContact O-N 2.65Å; E15-S17 VanDerWaalsContact C-N 3.32Å; E15-S17 PolarHBondContact O-N 2.65Å; S17-I19 VanDerWaalsContact C-N 3.33Å; S17-I19 PolarHBondContact O-N 2.8Å; S17-A20 PolarHBondContact O-N 3.45Å; S17-Q21 WeakPolarHBondContact O-CB 3.4Å; S17-Q21 VanDerWaalsContact O-CG 3.24Å; S17-Q21 WeakPolarHBondContact O-CG 3.24Å; S17-Q21 PolarHBondContact O-N 3.2Å; S17-E224 WeakPolarHBondContact CA-O 3.15Å; S17-E224 PolarHBondContact OG-O 2.72Å |
| 18 | D | 98.9 | Very high | 98.7 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 43% | 0.428 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 176.4 | -69.8 | -14.6 | 0 | 0 | 0 | 110.9 | K14 E15 K22 | K14-D18 IonicContact NZ-OD1 2.76Å; K14-D18 PolarHBondContact NZ-OD1 2.98Å; K14-D18 IonicContact NZ-OD2 2.96Å; K14-D18 PolarHBondContact NZ-OD2 2.84Å; K14-D18 WeakPolarHBondContact O-CB 3.1Å; K14-D18 PolarHBondContact O-N 2.86Å; E15-D18 PolarHBondContact O-N 2.58Å; D18-K22 WeakPolarHBondContact O-CB 3.33Å; D18-K22 PolarHBondContact O-N 3.44Å |
| 19 | I | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.108 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -50 | 176.8 | -68 | 162.6 | 0 | 0 | 0 | 110.3 | E15 S17 Q21 K22 I23 V103 D143 V183 | E15-I19 HydrophobicContact CG-CD1 3.82Å; E15-I19 WeakPolarHBondContact O-CD1 3.34Å; E15-I19 VanDerWaalsContact O-CG1 3.25Å; E15-I19 WeakPolarHBondContact O-CG1 3.44Å; E15-I19 PolarHBondContact O-N 2.61Å; S17-I19 VanDerWaalsContact C-N 3.33Å; S17-I19 PolarHBondContact O-N 2.8Å; I19-Q21 VanDerWaalsContact C-N 3.34Å; I19-Q21 PolarHBondContact O-N 2.94Å; I19-K22 PolarHBondContact O-N 3.34Å; I19-I23 HydrophobicContact CG2-CD1 3.92Å; I19-I23 VanDerWaalsContact O-CG1 3.32Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.39Å; I19-I23 VanDerWaalsContact O-N 3.08Å; I19-V103 HydrophobicContact CG2-CG1 4.04Å; I19-D143 HydrophobicContact CD1-CB 4.08Å; I19-D143 HydrophobicContact CG1-CB 4.45Å; I19-D143 HydrophobicContact CG2-CB 4.1Å; I19-V183 HydrophobicContact CB-CG2 3.74Å; I19-V183 HydrophobicContact CG2-CB 4.23Å; I19-V183 HydrophobicContact CG2-CG2 3.57Å |
| 20 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L16 S17 I23 V24 V183 L227 P265 | L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.24Å; S17-A20 PolarHBondContact O-N 3.45Å; A20-I23 PolarHBondContact O-N 3.32Å; A20-V24 WeakPolarHBondContact O-CG2 3.37Å; A20-V24 PolarHBondContact O-N 2.87Å; A20-V183 HydrophobicContact CB-CG1 4.02Å; A20-V183 HydrophobicContact CB-CG2 4.3Å; A20-L227 HydrophobicContact CB-CD2 4.41Å; A20-P265 HydrophobicContact CB-CB 4.28Å; A20-P265 HydrophobicContact CB-CG 3.87Å |
| 21 | Q | 98.9 | Very high | 98.8 | Very high | 101 Ų | 101 | 46.9 Ų | 46.9 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 176.6 | -68.4 | -69.9 | -10.7 | 0 | 0 | 112.4 | S17 I19 I23 V24 A25 | S17-Q21 WeakPolarHBondContact O-CB 3.4Å; S17-Q21 VanDerWaalsContact O-CG 3.24Å; S17-Q21 WeakPolarHBondContact O-CG 3.24Å; S17-Q21 PolarHBondContact O-N 3.2Å; I19-Q21 VanDerWaalsContact C-N 3.34Å; I19-Q21 PolarHBondContact O-N 2.94Å; Q21-I23 VanDerWaalsContact C-N 3.33Å; Q21-I23 PolarHBondContact O-N 3.4Å; Q21-V24 CarbonylContact O-C 3.57Å; Q21-V24 PolarHBondContact O-N 3.02Å; Q21-A25 PolarHBondContact O-N 3.01Å |
| 22 | K | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 35% | 0.352 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.4 | -41 | 176.3 | -176.6 | 174.2 | -178.3 | 174.5 | 0 | 112 | D18 I19 V24 D101 V103 | D18-K22 WeakPolarHBondContact O-CB 3.33Å; D18-K22 PolarHBondContact O-N 3.44Å; I19-K22 PolarHBondContact O-N 3.34Å; K22-V24 VanDerWaalsContact C-N 3.31Å; K22-V24 PolarHBondContact O-N 3.43Å; K22-D101 WeakPolarHBondContact CE-O 3.44Å; K22-D101 WeakPolarHBondContact CE-OD1 3.36Å; K22-D101 IonicContact NZ-OD1 3.86Å; K22-D101 PolarHBondContact NZ-OD1 3.19Å; K22-V103 HydrophobicContact CB-CG2 4.33Å; K22-V103 HydrophobicContact CD-CG2 3.77Å; K22-V103 HydrophobicContact CG-CG2 3.89Å |
| 23 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 179.7 | -66.9 | 163.9 | 0 | 0 | 0 | 111.3 | I19 A20 Q21 I30 V103 F144 L227 | I19-I23 HydrophobicContact CG2-CD1 3.92Å; I19-I23 VanDerWaalsContact O-CG1 3.32Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.39Å; I19-I23 VanDerWaalsContact O-N 3.08Å; A20-I23 PolarHBondContact O-N 3.32Å; Q21-I23 VanDerWaalsContact C-N 3.33Å; Q21-I23 PolarHBondContact O-N 3.4Å; I23-I30 HydrophobicContact CG2-CD1 3.46Å; I23-I30 VanDerWaalsContact CG2-CD1 3.46Å; I23-I30 HydrophobicContact CG2-CG1 3.55Å; I23-V103 HydrophobicContact CD1-CB 4.49Å; I23-V103 HydrophobicContact CD1-CG1 4.29Å; I23-V103 HydrophobicContact CG1-CB 3.86Å; I23-V103 HydrophobicContact CG1-CG1 4.16Å; I23-V103 HydrophobicContact CG1-CG2 3.83Å; I23-F144 HydrophobicContact CD1-CB 3.84Å; I23-F144 HydrophobicContact CD1-CD1 3.65Å; I23-F144 HydrophobicContact CD1-CD2 4.44Å; I23-F144 HydrophobicContact CD1-CE1 4.23Å; I23-F144 HydrophobicContact CD1-CG 3.75Å; I23-F144 HydrophobicContact CG1-CD1 4.35Å; I23-L227 HydrophobicContact CB-CD1 4.04Å; I23-L227 HydrophobicContact CD1-CD1 4.05Å; I23-L227 HydrophobicContact CG2-CD1 3.66Å |
| 24 | V | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 22.9 | -174.8 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | A20 Q21 K22 L227 P265 T268 A296 T298 | A20-V24 WeakPolarHBondContact O-CG2 3.37Å; A20-V24 PolarHBondContact O-N 2.87Å; Q21-V24 CarbonylContact O-C 3.57Å; Q21-V24 PolarHBondContact O-N 3.02Å; K22-V24 VanDerWaalsContact C-N 3.31Å; K22-V24 PolarHBondContact O-N 3.43Å; V24-L227 HydrophobicContact CG1-CD1 4Å; V24-L227 HydrophobicContact CG1-CD2 3.61Å; V24-L227 HydrophobicContact CG1-CG 4.48Å; V24-L227 HydrophobicContact CG2-CD2 4.29Å; V24-P265 HydrophobicContact CG2-CB 4.4Å; V24-T268 HydrophobicContact CG1-CG2 3.68Å; V24-A296 HydrophobicContact CB-CB 3.91Å; V24-A296 HydrophobicContact CG2-CB 3.9Å; V24-T298 HydrophobicContact CB-CG2 4.32Å; V24-T298 HydrophobicContact CG1-CG2 4Å |
| 25 | A | 98.8 | Very high | 98.7 | Very high | 31 Ų | 31 | 28.6 Ų | 28.6 | 26% | 0.256 | 16% | 0.157 | S | C | . | . | trans | -53.7 | 153.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q21 G27 K28 | Q21-A25 PolarHBondContact O-N 3.01Å; A25-G27 PolarHBondContact O-N 3.46Å; A25-K28 HydrophobicContact CB-CD 4.24Å; A25-K28 HydrophobicContact CB-CG 4.38Å; A25-K28 WeakPolarHBondContact O-CA 3.4Å; A25-K28 VanDerWaalsContact O-CB 3.31Å; A25-K28 WeakPolarHBondContact O-CB 3.43Å; A25-K28 PolarHBondContact O-N 3.18Å | ||
| 26 | P | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 26 Ų | 26 | 83% | 0.825 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 127.2 | -175.8 | -28.9 | 35.7 | 0 | 0 | 0 | 113.2 | K28 | P26-K28 VanDerWaalsContact C-N 3.27Å; P26-K28 PolarHBondContact O-N 3.19Å |
| 27 | G | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -7.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | A25 S335 C338 | A25-G27 PolarHBondContact O-N 3.46Å; G27-S335 WeakPolarHBondContact O-CA 3.32Å; G27-S335 WeakPolarHBondContact O-CB 3.4Å; G27-S335 PolarHBondContact O-OG 3.15Å; G27-C338 VanDerWaalsContact C-SG 3.54Å; G27-C338 VanDerWaalsContact CA-SG 3.51Å |
| 28 | K | 98.9 | Very high | 98.2 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | trans | -98.9 | 149.4 | -179.4 | -61.5 | -161.3 | 179.2 | -165.8 | 0 | 112.6 | A25 P26 E70 P71 C72 D101 T298 | A25-K28 HydrophobicContact CB-CD 4.24Å; A25-K28 HydrophobicContact CB-CG 4.38Å; A25-K28 WeakPolarHBondContact O-CA 3.4Å; A25-K28 VanDerWaalsContact O-CB 3.31Å; A25-K28 WeakPolarHBondContact O-CB 3.43Å; A25-K28 PolarHBondContact O-N 3.18Å; P26-K28 VanDerWaalsContact C-N 3.27Å; P26-K28 PolarHBondContact O-N 3.19Å; K28-E70 WeakPolarHBondContact CE-O 3.5Å; K28-E70 PolarHBondContact NZ-O 2.86Å; K28-P71 WeakPolarHBondContact CG-O 3.31Å; K28-C72 CarbonylContact C-O 3.54Å; K28-C72 VanDerWaalsContact CA-O 3.3Å; K28-C72 WeakPolarHBondContact CA-O 3.35Å; K28-D101 IonicContact NZ-OD2 3.36Å; K28-T298 WeakPolarHBondContact O-CB 3.46Å; K28-T298 PolarHBondContact O-OG1 2.64Å | ||
| 29 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | -160.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C72 I73 G74 G75 T298 F299 | G29-C72 PolarHBondContact N-O 3.23Å; G29-I73 CarbonylContact O-C 3.54Å; G29-I73 WeakPolarHBondContact O-CA 3.48Å; G29-G74 PolarHBondContact O-N 3.21Å; G29-G75 PolarHBondContact O-N 2.76Å; G29-T298 WeakPolarHBondContact CA-OG1 3.42Å; G29-F299 CarbonylContact C-O 3.59Å |
| 30 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132 | -172.5 | -59.5 | 171.9 | 0 | 0 | 0 | 110.7 | I23 G75 I77 F144 I185 L227 T268 F299 S300 Y301 | I23-I30 HydrophobicContact CG2-CD1 3.46Å; I23-I30 VanDerWaalsContact CG2-CD1 3.46Å; I23-I30 HydrophobicContact CG2-CG1 3.55Å; I30-G75 VanDerWaalsContact CA-O 3.27Å; I30-G75 WeakPolarHBondContact CA-O 3.3Å; I30-G75 WeakPolarHBondContact CG2-O 3.4Å; I30-I77 HydrophobicContact CG2-CD1 3.85Å; I30-I77 HydrophobicContact CG2-CG1 3.45Å; I30-I77 VanDerWaalsContact CG2-CG1 3.45Å; I30-F144 HydrophobicContact CG2-CZ 4.4Å; I30-I185 HydrophobicContact CD1-CD1 3.57Å; I30-L227 HydrophobicContact CD1-CD1 4.45Å; I30-T268 HydrophobicContact CD1-CG2 3.76Å; I30-T268 HydrophobicContact CG1-CG2 4.46Å; I30-F299 PolarHBondContact N-O 3.23Å; I30-S300 WeakPolarHBondContact O-CA 3.48Å; I30-Y301 PolarHBondContact O-N 2.98Å |
| 31 | L | 98.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.2 | 162.9 | 171.1 | 62.3 | 0 | 0 | 0 | 109.1 | A33 L63 F64 I73 G75 V76 I77 L305 Q306 F327 | L31-A33 HydrophobicContact CD2-CB 4.41Å; L31-A33 HydrophobicContact CG-CB 4.17Å; L31-A33 PolarHBondContact O-N 3.12Å; L31-L63 HydrophobicContact CD2-CB 4.15Å; L31-L63 HydrophobicContact CD2-CD1 4.44Å; L31-F64 HydrophobicContact CD2-CD1 4.28Å; L31-F64 HydrophobicContact CD2-CE1 4.09Å; L31-I73 HydrophobicContact CB-CD1 4.42Å; L31-I73 HydrophobicContact CB-CG2 4.47Å; L31-G75 PolarHBondContact N-O 3.39Å; L31-V76 HydrophobicContact CB-CG1 4.1Å; L31-V76 HydrophobicContact CB-CG2 4.34Å; L31-V76 HydrophobicContact CD2-CG1 3.94Å; L31-V76 HydrophobicContact CG-CG1 4.03Å; L31-V76 CarbonylContact O-C 3.51Å; L31-V76 WeakPolarHBondContact O-CA 3.19Å; L31-I77 PolarHBondContact O-N 3.41Å; L31-L305 HydrophobicContact CB-CD1 4.33Å; L31-L305 HydrophobicContact CD1-CB 4.18Å; L31-L305 HydrophobicContact CD1-CD1 4.02Å; L31-Q306 HydrophobicContact CD1-CG 4.13Å; L31-F327 HydrophobicContact CD1-CE2 4.08Å; L31-F327 HydrophobicContact CD2-CE2 4.16Å; L31-F327 HydrophobicContact CD2-CZ 3.95Å |
| 32 | A | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 93.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I77 Y301 G302 Q306 | A32-I77 HydrophobicContact CB-CD1 4.16Å; A32-I77 HydrophobicContact CB-CG1 4.4Å; A32-Y301 PolarHBondContact N-O 3.22Å; A32-G302 VanDerWaalsContact O-CA 3.29Å; A32-G302 WeakPolarHBondContact O-CA 3.43Å; A32-Q306 PolarHBondContact O-NE2 2.88Å |
| 33 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 32.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L31 E35 F64 V76 I77 | L31-A33 HydrophobicContact CD2-CB 4.41Å; L31-A33 HydrophobicContact CG-CB 4.17Å; L31-A33 PolarHBondContact O-N 3.12Å; A33-E35 WeakPolarHBondContact CA-OE2 3.45Å; A33-F64 HydrophobicContact CB-CE1 4.05Å; A33-F64 HydrophobicContact CB-CZ 4.21Å; A33-V76 HydrophobicContact CB-CG1 4.32Å; A33-I77 CarbonylContact C-O 3.56Å; A33-I77 WeakPolarHBondContact CA-O 3.49Å; A33-I77 PolarHBondContact N-O 3.25Å |
| 34 | D | 98.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.043 | 16% | 0.158 | C | C | . | . | trans | -100.8 | 25.7 | -171.5 | 63.5 | -56.4 | 0 | 0 | 0 | 113.6 | S36 I77 F78 K107 K146 | D34-S36 PolarHBondContact O-N 3.07Å; D34-I77 HydrophobicContact CB-CB 3.99Å; D34-I77 HydrophobicContact CB-CG2 3.66Å; D34-I77 PolarHBondContact N-O 3.24Å; D34-F78 VanDerWaalsContact CB-C 3.5Å; D34-F78 WeakPolarHBondContact CB-O 3.45Å; D34-K107 HydrophobicContact CB-CB 3.84Å; D34-K107 HydrophobicContact CB-CD 4.45Å; D34-K107 WeakPolarHBondContact OD2-CD 3.15Å; D34-K146 WeakPolarHBondContact OD2-CD 3.36Å; D34-K146 WeakPolarHBondContact OD2-CE 2.92Å; D34-K146 IonicContact OD2-NZ 2.75Å; D34-K146 PolarHBondContact OD2-NZ 3.47Å | ||
| 35 | E | 97.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | trans | -62.3 | 126.6 | 176.5 | -53.6 | 81.5 | -175.1 | 0 | 0 | 110.4 | A33 V40 R43 R60 Q306 | A33-E35 WeakPolarHBondContact CA-OE2 3.45Å; E35-V40 HydrophobicContact CB-CB 3.99Å; E35-R43 IonicContact OE1-CZ 2.93Å; E35-R43 IonicContact OE1-NH1 3.5Å; E35-R43 PolarHBondContact OE1-NH1 3.08Å; E35-R43 IonicContact OE1-NH2 3.68Å; E35-R43 PolarHBondContact OE1-NH2 2.9Å; E35-R60 PolarHBondContact O-NH2 3.4Å; E35-R60 IonicContact OE2-CZ 2.85Å; E35-R60 IonicContact OE2-NE 2.58Å; E35-R60 IonicContact OE2-NH2 3.26Å; E35-R60 PolarHBondContact OE2-NH2 3.38Å; E35-R60 VanDerWaalsContact OE2-NH2 3.16Å; E35-Q306 PolarHBondContact OE1-NE2 2.88Å | ||
| 36 | S | 95.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | trans | -57.9 | 161.8 | 169 | 69.8 | 0 | 0 | 0 | 0 | 110.7 | D34 G38 S39 V40 Y363 | D34-S36 PolarHBondContact O-N 3.07Å; S36-G38 PolarHBondContact O-N 3.29Å; S36-S39 PolarHBondContact O-N 2.93Å; S36-S39 VanDerWaalsContact OG-CB 3.32Å; S36-S39 WeakPolarHBondContact OG-CB 3.49Å; S36-S39 PolarHBondContact OG-N 3.33Å; S36-S39 VanDerWaalsContact OG-N 3.12Å; S36-S39 PolarHBondContact OG-OG 2.85Å; S36-V40 WeakPolarHBondContact O-CG1 3.49Å; S36-V40 PolarHBondContact O-N 3.14Å; S36-Y363 PolarHBondContact OG-OXT 3.04Å | ||
| 37 | T | 95.7 | Very high | 96.3 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 36% | 0.356 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -53.6 | -38.4 | 176.3 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | V40 A41 N51 | T37-V40 WeakPolarHBondContact O-CG1 3.34Å; T37-A41 WeakPolarHBondContact O-CB 3.4Å; T37-A41 PolarHBondContact O-N 3.46Å; T37-N51 PolarHBondContact O-ND2 3.41Å |
| 38 | G | 93.6 | Very high | 96.2 | Very high | 45 Ų | 45 | 37 Ų | 37 | 46% | 0.464 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -72.6 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S36 A41 | S36-G38 PolarHBondContact O-N 3.29Å; G38-A41 WeakPolarHBondContact O-CB 3.19Å; G38-A41 PolarHBondContact O-N 3.48Å |
| 39 | S | 92.3 | Very high | 96 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.5 | -41.2 | 178.6 | -80.8 | 0 | 0 | 0 | 0 | 113.1 | S36 A41 K42 Y363 | S36-S39 PolarHBondContact O-N 2.93Å; S36-S39 VanDerWaalsContact OG-CB 3.32Å; S36-S39 WeakPolarHBondContact OG-CB 3.49Å; S36-S39 PolarHBondContact OG-N 3.33Å; S36-S39 VanDerWaalsContact OG-N 3.12Å; S36-S39 PolarHBondContact OG-OG 2.85Å; S39-A41 VanDerWaalsContact C-N 3.31Å; S39-K42 PolarHBondContact O-N 3.09Å; S39-Y363 WeakPolarHBondContact OG-CA 3.38Å; S39-Y363 VanDerWaalsContact OG-CD1 3.29Å; S39-Y363 WeakPolarHBondContact OG-CD1 3.44Å; S39-Y363 PolarHBondContact OG-OXT 3.2Å |
| 40 | V | 95.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -28 | 175 | 70.6 | 0 | 0 | 0 | 0 | 112 | E35 S36 T37 K42 R43 F44 R56 | E35-V40 HydrophobicContact CB-CB 3.99Å; S36-V40 WeakPolarHBondContact O-CG1 3.49Å; S36-V40 PolarHBondContact O-N 3.14Å; T37-V40 WeakPolarHBondContact O-CG1 3.34Å; V40-K42 VanDerWaalsContact C-N 3.31Å; V40-K42 PolarHBondContact O-N 2.98Å; V40-R43 WeakPolarHBondContact O-CA 3.21Å; V40-R43 WeakPolarHBondContact O-CB 3.33Å; V40-R43 PolarHBondContact O-N 3.28Å; V40-F44 HydrophobicContact CG2-CD1 4.01Å; V40-F44 HydrophobicContact CG2-CE1 3.71Å; V40-F44 HydrophobicContact CG2-CE2 4.27Å; V40-F44 HydrophobicContact CG2-CG 4.43Å; V40-F44 HydrophobicContact CG2-CZ 3.86Å; V40-F44 PolarHBondContact O-N 2.93Å; V40-R56 HydrophobicContact CG1-CG 3.94Å; V40-R56 HydrophobicContact CG2-CG 4.49Å |
| 41 | A | 94.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 24% | 0.24 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.3 | -46.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | T37 G38 S39 R43 F44 Q45 N51 | T37-A41 WeakPolarHBondContact O-CB 3.4Å; T37-A41 PolarHBondContact O-N 3.46Å; G38-A41 WeakPolarHBondContact O-CB 3.19Å; G38-A41 PolarHBondContact O-N 3.48Å; S39-A41 VanDerWaalsContact C-N 3.31Å; A41-R43 PolarHBondContact O-N 3.48Å; A41-F44 PolarHBondContact O-N 2.9Å; A41-Q45 WeakPolarHBondContact O-CB 3.45Å; A41-Q45 PolarHBondContact O-N 3.49Å; A41-N51 HydrophobicContact CB-CB 4.34Å; A41-N51 VanDerWaalsContact CB-ND2 3.27Å; A41-N51 WeakPolarHBondContact CB-ND2 3.43Å |
| 42 | K | 93.9 | Very high | 95.8 | Very high | 121 Ų | 121 | 47.4 Ų | 47.4 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 177.7 | -64.1 | 176.8 | -176.8 | 172.9 | 0 | 111.8 | S39 V40 S46 | S39-K42 PolarHBondContact O-N 3.09Å; V40-K42 VanDerWaalsContact C-N 3.31Å; V40-K42 PolarHBondContact O-N 2.98Å; K42-S46 PolarHBondContact O-N 2.66Å |
| 43 | R | 93.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 53 Ų | 53 | 13% | 0.125 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.9 | -48.4 | 176.3 | -67.9 | -162.4 | -177.3 | 174.7 | 15.8 | 111.5 | E35 V40 A41 Q45 S46 Q306 L310 | E35-R43 IonicContact OE1-CZ 2.93Å; E35-R43 IonicContact OE1-NH1 3.5Å; E35-R43 PolarHBondContact OE1-NH1 3.08Å; E35-R43 IonicContact OE1-NH2 3.68Å; E35-R43 PolarHBondContact OE1-NH2 2.9Å; V40-R43 WeakPolarHBondContact O-CA 3.21Å; V40-R43 WeakPolarHBondContact O-CB 3.33Å; V40-R43 PolarHBondContact O-N 3.28Å; A41-R43 PolarHBondContact O-N 3.48Å; R43-Q45 VanDerWaalsContact C-N 3.32Å; R43-Q45 PolarHBondContact O-N 2.84Å; R43-S46 WeakPolarHBondContact O-CB 3.36Å; R43-S46 PolarHBondContact O-N 3.12Å; R43-S46 VanDerWaalsContact O-N 3.16Å; R43-S46 PolarHBondContact O-OG 3.43Å; R43-Q306 VanDerWaalsContact NH1-CD 3.31Å; R43-L310 HydrophobicContact CB-CD2 3.71Å; R43-L310 HydrophobicContact CG-CD2 4.47Å |
| 44 | F | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 179.8 | -74 | 5.1 | 0 | 0 | 0 | 112.4 | V40 A41 S46 I47 N48 A49 N51 N55 R56 Y59 L310 W313 | V40-F44 HydrophobicContact CG2-CD1 4.01Å; V40-F44 HydrophobicContact CG2-CE1 3.71Å; V40-F44 HydrophobicContact CG2-CE2 4.27Å; V40-F44 HydrophobicContact CG2-CG 4.43Å; V40-F44 HydrophobicContact CG2-CZ 3.86Å; V40-F44 PolarHBondContact O-N 2.93Å; A41-F44 PolarHBondContact O-N 2.9Å; F44-S46 PolarHBondContact O-N 3.2Å; F44-I47 CarbonylContact O-C 3.59Å; F44-I47 WeakPolarHBondContact O-CG1 3.36Å; F44-I47 PolarHBondContact O-N 3.41Å; F44-I47 VanDerWaalsContact O-N 3.08Å; F44-N48 PolarHBondContact O-N 3.28Å; F44-N48 VanDerWaalsContact O-N 3.13Å; F44-A49 HydrophobicContact CB-CB 4.09Å; F44-A49 HydrophobicContact CG-CB 4.36Å; F44-A49 PolarHBondContact O-N 3.08Å; F44-N51 HydrophobicContact CD2-CB 4.47Å; F44-N55 HydrophobicContact CD2-CB 4.44Å; F44-N55 HydrophobicContact CE2-CB 3.82Å; F44-R56 HydrophobicContact CE2-CG 3.86Å; F44-R56 HydrophobicContact CZ-CG 4.32Å; F44-Y59 AromaticContact CE1-CD1 3.92Å; F44-Y59 HydrophobicContact CE1-CD1 3.92Å; F44-Y59 HydrophobicContact CE1-CG 4.01Å; F44-Y59 HydrophobicContact CZ-CD1 4.21Å; F44-Y59 HydrophobicContact CZ-CG 4.17Å; F44-L310 HydrophobicContact CD1-CD1 3.92Å; F44-L310 HydrophobicContact CE1-CD1 3.89Å; F44-W313 HydrophobicContact CD1-CZ3 4.34Å; F44-W313 AromaticContact CE1-CZ3 3.74Å; F44-W313 HydrophobicContact CE1-CZ3 3.74Å; F44-W313 HydrophobicContact CZ-CH2 4.19Å; F44-W313 AromaticContact CZ-CZ3 3.83Å; F44-W313 HydrophobicContact CZ-CZ3 3.83Å |
| 45 | Q | 95.6 | Very high | 95.7 | Very high | 146 Ų | 146 | 58.1 Ų | 58.1 | 68% | 0.682 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.4 | -38.1 | 172.6 | -172 | 179.2 | 13.9 | 0 | 0 | 112.2 | A41 R43 I47 N48 | A41-Q45 WeakPolarHBondContact O-CB 3.45Å; A41-Q45 PolarHBondContact O-N 3.49Å; R43-Q45 VanDerWaalsContact C-N 3.32Å; R43-Q45 PolarHBondContact O-N 2.84Å; Q45-I47 PolarHBondContact O-N 2.88Å; Q45-I47 VanDerWaalsContact O-N 3.15Å; Q45-N48 PolarHBondContact O-N 2.91Å |
| 46 | S | 93.8 | Very high | 95.8 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.5 | 179.3 | 76.1 | 0 | 0 | 0 | 0 | 114.3 | K42 R43 F44 | K42-S46 PolarHBondContact O-N 2.66Å; R43-S46 WeakPolarHBondContact O-CB 3.36Å; R43-S46 PolarHBondContact O-N 3.12Å; R43-S46 VanDerWaalsContact O-N 3.16Å; R43-S46 PolarHBondContact O-OG 3.43Å; F44-S46 PolarHBondContact O-N 3.2Å |
| 47 | I | 95.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 59.4 Ų | 59.4 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 12 | 176.7 | 60.5 | 163.9 | 0 | 0 | 0 | 112.3 | F44 Q45 A49 L310 W313 | F44-I47 CarbonylContact O-C 3.59Å; F44-I47 WeakPolarHBondContact O-CG1 3.36Å; F44-I47 PolarHBondContact O-N 3.41Å; F44-I47 VanDerWaalsContact O-N 3.08Å; Q45-I47 PolarHBondContact O-N 2.88Å; Q45-I47 VanDerWaalsContact O-N 3.15Å; I47-A49 HydrophobicContact CD1-CB 3.78Å; I47-A49 HydrophobicContact CG1-CB 3.81Å; I47-A49 PolarHBondContact O-N 2.84Å; I47-L310 HydrophobicContact CD1-CD1 3.64Å; I47-L310 HydrophobicContact CD1-CG 3.93Å; I47-L310 HydrophobicContact CG1-CG 4.49Å; I47-L310 HydrophobicContact CG2-CG 4.2Å; I47-W313 HydrophobicContact CD1-CE3 3.94Å; I47-W313 HydrophobicContact CD1-CZ3 4.26Å |
| 48 | N | 95.4 | Very high | 96.1 | Very high | 157 Ų | 157 | 58.5 Ų | 58.5 | 84% | 0.84 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 31.5 | -175.6 | -55.6 | -56.5 | 0 | 0 | 0 | 114.2 | F44 Q45 | F44-N48 PolarHBondContact O-N 3.28Å; F44-N48 VanDerWaalsContact O-N 3.13Å; Q45-N48 PolarHBondContact O-N 2.91Å |
| 49 | A | 95.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 12% | 0.124 | 29% | 0.288 | C | S | . | . | trans | -92 | 145 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | F44 I47 | F44-A49 HydrophobicContact CB-CB 4.09Å; F44-A49 HydrophobicContact CG-CB 4.36Å; F44-A49 PolarHBondContact O-N 3.08Å; I47-A49 HydrophobicContact CD1-CB 3.78Å; I47-A49 HydrophobicContact CG1-CB 3.81Å; I47-A49 PolarHBondContact O-N 2.84Å | ||
| 50 | E | 96.1 | Very high | 96.6 | Very high | 142 Ų | 142 | 56.1 Ų | 56.1 | 66% | 0.664 | 29% | 0.286 | S | S | * | . | trans | -74.5 | 139.8 | 176.2 | -166.1 | -176.4 | 175.9 | 0 | 0 | 111.4 | T52 N55 | E50-T52 VanDerWaalsContact C-N 3.33Å; E50-T52 HydrophobicContact CB-CG2 4.25Å; E50-T52 VanDerWaalsContact CD-CG2 3.47Å; E50-T52 HydrophobicContact CG-CG2 3.75Å; E50-T52 PolarHBondContact O-N 2.99Å; E50-T52 VanDerWaalsContact O-N 3.1Å; E50-N55 WeakPolarHBondContact O-CB 3.32Å; E50-N55 PolarHBondContact O-ND2 3.4Å | ||
| 51 | N | 97.8 | Very high | 96.8 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | trans | -86.6 | 65.8 | 178 | -172.7 | 25.2 | 0 | 0 | 0 | 113 | T37 A41 F44 R56 | T37-N51 PolarHBondContact O-ND2 3.41Å; A41-N51 HydrophobicContact CB-CB 4.34Å; A41-N51 VanDerWaalsContact CB-ND2 3.27Å; A41-N51 WeakPolarHBondContact CB-ND2 3.43Å; F44-N51 HydrophobicContact CD2-CB 4.47Å; N51-R56 PolarHBondContact O-NH1 3.22Å; N51-R56 WeakPolarHBondContact OD1-CD 3.41Å; N51-R56 PolarHBondContact OD1-NH1 2.86Å | ||
| 52 | T | 98 | Very high | 97 | Very high | 42 Ų | 42 | 57 Ų | 57 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | trans | -90.8 | 157.8 | 172.3 | 67 | 0 | 0 | 0 | 0 | 111.2 | E50 E54 N55 R56 | E50-T52 VanDerWaalsContact C-N 3.33Å; E50-T52 HydrophobicContact CB-CG2 4.25Å; E50-T52 VanDerWaalsContact CD-CG2 3.47Å; E50-T52 HydrophobicContact CG-CG2 3.75Å; E50-T52 PolarHBondContact O-N 2.99Å; E50-T52 VanDerWaalsContact O-N 3.1Å; T52-E54 PolarHBondContact O-N 3.14Å; T52-N55 PolarHBondContact O-N 3.48Å; T52-N55 WeakPolarHBondContact OG1-CB 3.36Å; T52-N55 PolarHBondContact OG1-N 3.29Å; T52-R56 VanDerWaalsContact C-NH1 3.32Å; T52-R56 WeakPolarHBondContact O-CG 3.48Å; T52-R56 PolarHBondContact O-N 3Å; T52-R56 PolarHBondContact O-NH1 3.22Å | ||
| 53 | E | 98.2 | Very high | 97.2 | Very high | 121 Ų | 121 | 51.3 Ų | 51.3 | 57% | 0.565 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -56.7 | -40.3 | 172.6 | -173.4 | -177.2 | 164.5 | 0 | 0 | 111.5 | R56 R57 | E53-R56 WeakPolarHBondContact O-CB 3.31Å; E53-R56 PolarHBondContact O-N 3.45Å; E53-R57 WeakPolarHBondContact O-CB 3.42Å; E53-R57 PolarHBondContact O-N 2.86Å |
| 54 | E | 97.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 50 Ų | 50 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 179.1 | 179 | 56.3 | -165.8 | 0 | 0 | 112.5 | T52 R56 R57 L58 | T52-E54 PolarHBondContact O-N 3.14Å; E54-R56 VanDerWaalsContact C-N 3.27Å; E54-R56 PolarHBondContact O-N 3.03Å; E54-R57 WeakPolarHBondContact O-CB 3.46Å; E54-R57 PolarHBondContact O-N 2.72Å; E54-R57 VanDerWaalsContact O-N 3.16Å; E54-R57 IonicContact OE1-CZ 2.61Å; E54-R57 IonicContact OE1-NE 2.86Å; E54-R57 PolarHBondContact OE1-NE 2.89Å; E54-R57 IonicContact OE1-NH2 3.88Å; E54-R57 PolarHBondContact OE1-NH2 3.28Å; E54-R57 IonicContact OE2-CZ 2.65Å; E54-R57 IonicContact OE2-NE 2.8Å; E54-R57 PolarHBondContact OE2-NE 2.45Å; E54-R57 IonicContact OE2-NH2 3.8Å; E54-L58 HydrophobicContact CG-CD1 3.95Å; E54-L58 HydrophobicContact CG-CG 4.33Å; E54-L58 WeakPolarHBondContact O-CB 3.49Å; E54-L58 WeakPolarHBondContact O-CG 3.29Å; E54-L58 PolarHBondContact O-N 3.46Å; E54-L58 VanDerWaalsContact OE1-CG 3.31Å; E54-L58 WeakPolarHBondContact OE1-CG 3.41Å |
| 55 | N | 98 | Very high | 97.5 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 16% | 0.16 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -36.1 | 175.5 | -78.1 | -14 | 0 | 0 | 0 | 111.7 | F44 E50 T52 Y59 W313 | F44-N55 HydrophobicContact CD2-CB 4.44Å; F44-N55 HydrophobicContact CE2-CB 3.82Å; E50-N55 WeakPolarHBondContact O-CB 3.32Å; E50-N55 PolarHBondContact O-ND2 3.4Å; T52-N55 PolarHBondContact O-N 3.48Å; T52-N55 WeakPolarHBondContact OG1-CB 3.36Å; T52-N55 PolarHBondContact OG1-N 3.29Å; N55-Y59 VanDerWaalsContact O-CB 3.29Å; N55-Y59 WeakPolarHBondContact O-CB 3.36Å; N55-Y59 PolarHBondContact O-N 3.28Å; N55-W313 HydrophobicContact CB-CH2 4.24Å |
| 56 | R | 98.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 173.2 | -71.7 | -168.1 | -58.3 | -84.3 | 3.7 | 111.6 | V40 F44 N51 T52 E53 E54 R60 E81 | V40-R56 HydrophobicContact CG1-CG 3.94Å; V40-R56 HydrophobicContact CG2-CG 4.49Å; F44-R56 HydrophobicContact CE2-CG 3.86Å; F44-R56 HydrophobicContact CZ-CG 4.32Å; N51-R56 PolarHBondContact O-NH1 3.22Å; N51-R56 WeakPolarHBondContact OD1-CD 3.41Å; N51-R56 PolarHBondContact OD1-NH1 2.86Å; T52-R56 VanDerWaalsContact C-NH1 3.32Å; T52-R56 WeakPolarHBondContact O-CG 3.48Å; T52-R56 PolarHBondContact O-N 3Å; T52-R56 PolarHBondContact O-NH1 3.22Å; E53-R56 WeakPolarHBondContact O-CB 3.31Å; E53-R56 PolarHBondContact O-N 3.45Å; E54-R56 VanDerWaalsContact C-N 3.27Å; E54-R56 PolarHBondContact O-N 3.03Å; R56-R60 WeakPolarHBondContact O-CB 3.35Å; R56-R60 VanDerWaalsContact O-CD 3.23Å; R56-R60 WeakPolarHBondContact O-CD 3.12Å; R56-R60 PolarHBondContact O-N 2.98Å; R56-R60 PolarHBondContact O-NH1 3.47Å; R56-E81 IonicContact CZ-OE1 3.67Å; R56-E81 IonicContact CZ-OE2 2.7Å; R56-E81 IonicContact NE-OE1 3.33Å; R56-E81 PolarHBondContact NE-OE1 3.2Å; R56-E81 IonicContact NE-OE2 2.98Å; R56-E81 PolarHBondContact NE-OE2 2.9Å; R56-E81 VanDerWaalsContact NE-OE2 3.16Å; R56-E81 IonicContact NH2-OE1 2.75Å; R56-E81 IonicContact NH2-OE2 3.23Å; R56-E81 PolarHBondContact NH2-OE2 3.5Å |
| 57 | R | 98.6 | Very high | 97.8 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -51.1 | 176.1 | -171.9 | -160.2 | 71.7 | 76.6 | 1.6 | 111.3 | E53 E54 Y59 R60 Q61 Q85 K86 D88 F93 | E53-R57 WeakPolarHBondContact O-CB 3.42Å; E53-R57 PolarHBondContact O-N 2.86Å; E54-R57 WeakPolarHBondContact O-CB 3.46Å; E54-R57 PolarHBondContact O-N 2.72Å; E54-R57 VanDerWaalsContact O-N 3.16Å; E54-R57 IonicContact OE1-CZ 2.61Å; E54-R57 IonicContact OE1-NE 2.86Å; E54-R57 PolarHBondContact OE1-NE 2.89Å; E54-R57 IonicContact OE1-NH2 3.88Å; E54-R57 PolarHBondContact OE1-NH2 3.28Å; E54-R57 IonicContact OE2-CZ 2.65Å; E54-R57 IonicContact OE2-NE 2.8Å; E54-R57 PolarHBondContact OE2-NE 2.45Å; E54-R57 IonicContact OE2-NH2 3.8Å; R57-Y59 PolarHBondContact O-N 3.22Å; R57-R60 PolarHBondContact O-N 3.46Å; R57-Q61 WeakPolarHBondContact O-CB 3.5Å; R57-Q61 PolarHBondContact O-N 3.17Å; R57-Q85 HydrophobicContact CG-CB 4.21Å; R57-Q85 HydrophobicContact CG-CG 4.25Å; R57-K86 VanDerWaalsContact CD-O 3.3Å; R57-K86 WeakPolarHBondContact CD-O 3.48Å; R57-K86 WeakPolarHBondContact CG-O 3.42Å; R57-K86 PolarHBondContact NH1-O 3.36Å; R57-D88 IonicContact CZ-OD1 3.34Å; R57-D88 VanDerWaalsContact CZ-OD1 3.26Å; R57-D88 IonicContact NH1-OD1 2.69Å; R57-D88 PolarHBondContact NH1-OD1 3.39Å; R57-D88 IonicContact NH2-OD1 3.16Å; R57-D88 PolarHBondContact NH2-OD1 3Å; R57-F93 HydrophobicContact CG-CE2 4.11Å; R57-F93 HydrophobicContact CG-CZ 3.98Å |
| 58 | L | 98.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -49.5 | 179 | -76.2 | 169.7 | 0 | 0 | 0 | 111.6 | E54 R60 Q61 L62 W313 | E54-L58 HydrophobicContact CG-CD1 3.95Å; E54-L58 HydrophobicContact CG-CG 4.33Å; E54-L58 WeakPolarHBondContact O-CB 3.49Å; E54-L58 WeakPolarHBondContact O-CG 3.29Å; E54-L58 PolarHBondContact O-N 3.46Å; E54-L58 VanDerWaalsContact OE1-CG 3.31Å; E54-L58 WeakPolarHBondContact OE1-CG 3.41Å; L58-R60 VanDerWaalsContact C-N 3.31Å; L58-R60 PolarHBondContact O-N 2.94Å; L58-Q61 WeakPolarHBondContact O-CB 3.49Å; L58-Q61 PolarHBondContact O-N 3.22Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 3.32Å; L58-W313 HydrophobicContact CB-CZ2 4.48Å |
| 59 | Y | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 179 | -179 | -115.4 | 0 | 0 | 0 | 112.2 | F44 N55 R57 L62 L63 Q306 L310 W313 | F44-Y59 AromaticContact CE1-CD1 3.92Å; F44-Y59 HydrophobicContact CE1-CD1 3.92Å; F44-Y59 HydrophobicContact CE1-CG 4.01Å; F44-Y59 HydrophobicContact CZ-CD1 4.21Å; F44-Y59 HydrophobicContact CZ-CG 4.17Å; N55-Y59 VanDerWaalsContact O-CB 3.29Å; N55-Y59 WeakPolarHBondContact O-CB 3.36Å; N55-Y59 PolarHBondContact O-N 3.28Å; R57-Y59 PolarHBondContact O-N 3.22Å; Y59-L62 PolarHBondContact O-N 3.02Å; Y59-L63 HydrophobicContact CE1-CD1 3.93Å; Y59-L63 WeakPolarHBondContact O-CG 3.15Å; Y59-L63 PolarHBondContact O-N 2.86Å; Y59-Q306 WeakPolarHBondContact OH-CB 3.45Å; Y59-Q306 PolarHBondContact OH-OE1 3.12Å; Y59-L310 HydrophobicContact CD2-CD1 4.03Å; Y59-L310 HydrophobicContact CE1-CD1 4.22Å; Y59-L310 HydrophobicContact CE2-CB 4.15Å; Y59-L310 HydrophobicContact CE2-CD1 3.6Å; Y59-W313 HydrophobicContact CD2-CD2 4.09Å; Y59-W313 AromaticContact CD2-CE3 3.49Å; Y59-W313 HydrophobicContact CD2-CE3 3.49Å; Y59-W313 VanDerWaalsContact CD2-CE3 3.49Å; Y59-W313 AromaticContact CD2-CZ3 3.8Å; Y59-W313 HydrophobicContact CD2-CZ3 3.8Å; Y59-W313 HydrophobicContact CE2-CE3 4.25Å; Y59-W313 HydrophobicContact CG-CE3 4.12Å; Y59-W313 AromaticContact CG-CZ3 3.93Å; Y59-W313 HydrophobicContact CG-CZ3 3.93Å |
| 60 | R | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 175.7 | -86.3 | 42.1 | 174.9 | -77.8 | -1.6 | 111.2 | E35 R56 R57 L58 L62 L63 F64 T82 F93 | E35-R60 PolarHBondContact O-NH2 3.4Å; E35-R60 IonicContact OE2-CZ 2.85Å; E35-R60 IonicContact OE2-NE 2.58Å; E35-R60 IonicContact OE2-NH2 3.26Å; E35-R60 PolarHBondContact OE2-NH2 3.38Å; E35-R60 VanDerWaalsContact OE2-NH2 3.16Å; R56-R60 WeakPolarHBondContact O-CB 3.35Å; R56-R60 VanDerWaalsContact O-CD 3.23Å; R56-R60 WeakPolarHBondContact O-CD 3.12Å; R56-R60 PolarHBondContact O-N 2.98Å; R56-R60 PolarHBondContact O-NH1 3.47Å; R57-R60 PolarHBondContact O-N 3.46Å; L58-R60 VanDerWaalsContact C-N 3.31Å; L58-R60 PolarHBondContact O-N 2.94Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 2.87Å; R60-L63 PolarHBondContact O-N 3.37Å; R60-F64 HydrophobicContact CB-CD2 4.35Å; R60-F64 HydrophobicContact CB-CE2 3.7Å; R60-F64 HydrophobicContact CB-CZ 3.89Å; R60-F64 HydrophobicContact CG-CE2 4.16Å; R60-F64 HydrophobicContact CG-CZ 3.92Å; R60-F64 WeakPolarHBondContact O-CD1 3.39Å; R60-F64 VanDerWaalsContact O-CD2 3.28Å; R60-F64 WeakPolarHBondContact O-CD2 3.36Å; R60-F64 WeakPolarHBondContact O-CG 3.31Å; R60-F64 PolarHBondContact O-N 3.19Å; R60-T82 HydrophobicContact CB-CG2 4.1Å; R60-T82 HydrophobicContact CG-CG2 3.74Å; R60-F93 HydrophobicContact CB-CE2 4.15Å; R60-F93 HydrophobicContact CB-CZ 4.38Å |
| 61 | Q | 98.8 | Very high | 98.2 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -44 | 174.6 | -174.9 | 178.7 | -60.7 | 0 | 0 | 111.8 | R57 L58 L63 F64 T65 T87 D88 F93 | R57-Q61 WeakPolarHBondContact O-CB 3.5Å; R57-Q61 PolarHBondContact O-N 3.17Å; L58-Q61 WeakPolarHBondContact O-CB 3.49Å; L58-Q61 PolarHBondContact O-N 3.22Å; Q61-L63 VanDerWaalsContact C-N 3.3Å; Q61-L63 PolarHBondContact O-N 3.45Å; Q61-F64 PolarHBondContact O-N 3.38Å; Q61-T65 HydrophobicContact CG-CG2 3.81Å; Q61-T65 WeakPolarHBondContact O-CB 3.39Å; Q61-T65 WeakPolarHBondContact O-CG2 3.32Å; Q61-T65 PolarHBondContact O-N 2.96Å; Q61-T65 PolarHBondContact O-OG1 2.95Å; Q61-T87 HydrophobicContact CG-CG2 4.46Å; Q61-D88 PolarHBondContact NE2-OD2 3.48Å; Q61-D88 PolarHBondContact OE1-OD1 3.01Å; Q61-D88 VanDerWaalsContact OE1-OD1 3.13Å; Q61-F93 HydrophobicContact CB-CE1 3.79Å; Q61-F93 HydrophobicContact CB-CZ 3.85Å; Q61-F93 HydrophobicContact CG-CE1 4.18Å |
| 62 | L | 98.7 | Very high | 98.2 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.1 | -48.1 | 177.8 | -72.1 | 174.1 | 0 | 0 | 0 | 110.9 | L58 Y59 R60 A66 W313 G320 C323 Q324 | L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 3.32Å; Y59-L62 PolarHBondContact O-N 3.02Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 2.87Å; L62-A66 PolarHBondContact O-N 2.75Å; L62-W313 HydrophobicContact CD1-CD2 4.21Å; L62-W313 HydrophobicContact CD1-CG 3.96Å; L62-G320 VanDerWaalsContact CD2-CA 3.5Å; L62-C323 HydrophobicContact CD1-CB 4.22Å; L62-Q324 VanDerWaalsContact O-CG 3.31Å; L62-Q324 WeakPolarHBondContact O-CG 3.34Å; L62-Q324 PolarHBondContact O-NE2 2.93Å |
| 63 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.9 | -59.9 | 177 | 0 | 0 | 0 | 112.1 | L31 Y59 R60 Q61 T65 Q306 A309 F327 | L31-L63 HydrophobicContact CD2-CB 4.15Å; L31-L63 HydrophobicContact CD2-CD1 4.44Å; Y59-L63 HydrophobicContact CE1-CD1 3.93Å; Y59-L63 WeakPolarHBondContact O-CG 3.15Å; Y59-L63 PolarHBondContact O-N 2.86Å; R60-L63 PolarHBondContact O-N 3.37Å; Q61-L63 VanDerWaalsContact C-N 3.3Å; Q61-L63 PolarHBondContact O-N 3.45Å; L63-T65 VanDerWaalsContact C-N 3.33Å; L63-T65 PolarHBondContact O-N 2.98Å; L63-Q306 HydrophobicContact CD1-CG 4.07Å; L63-A309 HydrophobicContact CD2-CB 4.42Å; L63-F327 HydrophobicContact CD2-CB 4.05Å; L63-F327 HydrophobicContact CD2-CD1 4.28Å; L63-F327 HydrophobicContact CD2-CD2 4.19Å; L63-F327 HydrophobicContact CD2-CG 3.91Å; L63-F327 VanDerWaalsContact O-CE1 3.29Å; L63-F327 WeakPolarHBondContact O-CE1 3.25Å |
| 64 | F | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -78.5 | -17.3 | -173.6 | -54.5 | -18.9 | 0 | 0 | 0 | 113.9 | L31 A33 R60 Q61 V76 F78 T82 F93 L96 I97 R100 | L31-F64 HydrophobicContact CD2-CD1 4.28Å; L31-F64 HydrophobicContact CD2-CE1 4.09Å; A33-F64 HydrophobicContact CB-CE1 4.05Å; A33-F64 HydrophobicContact CB-CZ 4.21Å; R60-F64 HydrophobicContact CB-CD2 4.35Å; R60-F64 HydrophobicContact CB-CE2 3.7Å; R60-F64 HydrophobicContact CB-CZ 3.89Å; R60-F64 HydrophobicContact CG-CE2 4.16Å; R60-F64 HydrophobicContact CG-CZ 3.92Å; R60-F64 WeakPolarHBondContact O-CD1 3.39Å; R60-F64 VanDerWaalsContact O-CD2 3.28Å; R60-F64 WeakPolarHBondContact O-CD2 3.36Å; R60-F64 WeakPolarHBondContact O-CG 3.31Å; R60-F64 PolarHBondContact O-N 3.19Å; Q61-F64 PolarHBondContact O-N 3.38Å; F64-V76 HydrophobicContact CD1-CG1 4.26Å; F64-V76 HydrophobicContact CE1-CG1 3.63Å; F64-V76 HydrophobicContact CZ-CG1 4.24Å; F64-F78 HydrophobicContact CD1-CE1 4.47Å; F64-F78 HydrophobicContact CD2-CE1 4.24Å; F64-F78 HydrophobicContact CD2-CZ 4.19Å; F64-F78 HydrophobicContact CE1-CD1 4.49Å; F64-F78 AromaticContact CE1-CE1 3.79Å; F64-F78 HydrophobicContact CE1-CE1 3.79Å; F64-F78 HydrophobicContact CE2-CD1 4.25Å; F64-F78 AromaticContact CE2-CE1 3.47Å; F64-F78 HydrophobicContact CE2-CE1 3.47Å; F64-F78 VanDerWaalsContact CE2-CE1 3.47Å; F64-F78 AromaticContact CE2-CZ 3.69Å; F64-F78 HydrophobicContact CE2-CZ 3.69Å; F64-F78 AromaticContact CZ-CD1 3.78Å; F64-F78 HydrophobicContact CZ-CD1 3.78Å; F64-F78 AromaticContact CZ-CE1 3.22Å; F64-F78 HydrophobicContact CZ-CE1 3.22Å; F64-F78 AromaticContact CZ-CZ 3.95Å; F64-F78 HydrophobicContact CZ-CZ 3.95Å; F64-T82 HydrophobicContact CE2-CG2 3.64Å; F64-T82 HydrophobicContact CZ-CG2 3.95Å; F64-F93 HydrophobicContact CD2-CB 4.1Å; F64-F93 AromaticContact CD2-CD1 3.67Å; F64-F93 HydrophobicContact CD2-CD1 3.67Å; F64-F93 HydrophobicContact CD2-CD2 4.21Å; F64-F93 HydrophobicContact CD2-CE1 4.08Å; F64-F93 AromaticContact CD2-CG 3.75Å; F64-F93 HydrophobicContact CD2-CG 3.75Å; F64-F93 HydrophobicContact CE2-CB 4.18Å; F64-F93 HydrophobicContact CE2-CD1 4.27Å; F64-F93 AromaticContact CE2-CD2 3.98Å; F64-F93 HydrophobicContact CE2-CD2 3.98Å; F64-F93 HydrophobicContact CE2-CE2 4.39Å; F64-F93 AromaticContact CE2-CG 3.92Å; F64-F93 HydrophobicContact CE2-CG 3.92Å; F64-L96 HydrophobicContact CB-CD2 3.82Å; F64-I97 HydrophobicContact CB-CD1 3.89Å; F64-I97 HydrophobicContact CD1-CD1 4.18Å; F64-I97 HydrophobicContact CG-CD1 3.96Å; F64-R100 PolarHBondContact O-NH1 2.68Å |
| 65 | T | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 27.4 Ų | 27.4 | 33% | 0.331 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -103.7 | -3.7 | 178.5 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | Q61 L63 D67 L96 R100 Q324 | Q61-T65 HydrophobicContact CG-CG2 3.81Å; Q61-T65 WeakPolarHBondContact O-CB 3.39Å; Q61-T65 WeakPolarHBondContact O-CG2 3.32Å; Q61-T65 PolarHBondContact O-N 2.96Å; Q61-T65 PolarHBondContact O-OG1 2.95Å; L63-T65 VanDerWaalsContact C-N 3.33Å; L63-T65 PolarHBondContact O-N 2.98Å; T65-D67 PolarHBondContact O-N 3.31Å; T65-L96 HydrophobicContact CG2-CD2 3.73Å; T65-R100 VanDerWaalsContact C-NH1 3.34Å; T65-Q324 PolarHBondContact OG1-NE2 3.21Å |
| 66 | A | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -57.8 | 136 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L62 V69 R100 Q324 F327 I328 | L62-A66 PolarHBondContact O-N 2.75Å; A66-V69 WeakPolarHBondContact O-CG2 3.32Å; A66-R100 PolarHBondContact O-NH1 2.91Å; A66-R100 PolarHBondContact O-NH2 2.66Å; A66-Q324 HydrophobicContact CB-CB 4.01Å; A66-Q324 HydrophobicContact CB-CG 3.93Å; A66-F327 HydrophobicContact CB-CD1 3.56Å; A66-F327 HydrophobicContact CB-CE1 3.89Å; A66-I328 HydrophobicContact CB-CD1 4.11Å; A66-I328 HydrophobicContact CB-CG1 4Å | ||
| 67 | D | 96.4 | Very high | 98.4 | Very high | 80 Ų | 80 | 25 Ų | 25 | 43% | 0.428 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -78.2 | 174.4 | -178.5 | 69.7 | 8.3 | 0 | 0 | 0 | 112.8 | T65 V69 I328 | T65-D67 PolarHBondContact O-N 3.31Å; D67-V69 WeakPolarHBondContact O-CG1 3.34Å; D67-V69 PolarHBondContact O-N 3.43Å; D67-I328 WeakPolarHBondContact O-CD1 3.07Å; D67-I328 VanDerWaalsContact O-CG1 3.32Å; D67-I328 WeakPolarHBondContact O-CG1 3.4Å; D67-I328 WeakPolarHBondContact OD1-CD1 3.12Å |
| 68 | R | 97.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 23.6 Ų | 23.6 | 43% | 0.43 | 12% | 0.121 | S | C | . | . | S | Bend | trans | 61.1 | 4.3 | 170.8 | -62.2 | 172.1 | -73.4 | 167.1 | -0.9 | 116.9 | E70 E325 I328 | R68-E70 PolarHBondContact N-OE2 3.25Å; R68-E325 IonicContact CZ-OE2 2.67Å; R68-E325 IonicContact NH1-OE2 2.95Å; R68-E325 IonicContact NH2-OE1 3.22Å; R68-E325 PolarHBondContact NH2-OE1 3.21Å; R68-E325 IonicContact NH2-OE2 2.92Å; R68-E325 PolarHBondContact NH2-OE2 2.73Å; R68-I328 HydrophobicContact CB-CG2 4.27Å |
| 69 | V | 98 | Very high | 98.4 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | trans | -94.8 | -12.2 | -177.1 | -64.4 | 0 | 0 | 0 | 0 | 114.3 | A66 D67 P71 C72 I73 M102 F327 I328 A331 | A66-V69 WeakPolarHBondContact O-CG2 3.32Å; D67-V69 WeakPolarHBondContact O-CG1 3.34Å; D67-V69 PolarHBondContact O-N 3.43Å; V69-P71 VanDerWaalsContact C-CD 3.47Å; V69-C72 CarbonylContact O-C 3.57Å; V69-C72 WeakPolarHBondContact O-CA 3.25Å; V69-C72 VanDerWaalsContact O-CB 3.32Å; V69-C72 WeakPolarHBondContact O-CB 3.44Å; V69-C72 PolarHBondContact O-N 3.04Å; V69-I73 HydrophobicContact CB-CG1 4.13Å; V69-I73 PolarHBondContact O-N 3.47Å; V69-M102 HydrophobicContact CG2-CE 3.93Å; V69-F327 HydrophobicContact CB-CE1 4.33Å; V69-F327 HydrophobicContact CG1-CD1 4.22Å; V69-F327 HydrophobicContact CG1-CE1 3.71Å; V69-F327 HydrophobicContact CG1-CZ 4.2Å; V69-F327 HydrophobicContact CG2-CE1 4.24Å; V69-I328 HydrophobicContact CG1-CB 4.46Å; V69-I328 HydrophobicContact CG1-CG1 3.87Å; V69-A331 HydrophobicContact CB-CB 4.44Å; V69-A331 HydrophobicContact CG1-CB 3.78Å | ||
| 70 | E | 97.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 28 Ų | 28 | 30% | 0.304 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -44.3 | 176.2 | -65.7 | 88.2 | 164.3 | 0 | 0 | 114.7 | K28 R68 C72 R100 M102 | K28-E70 WeakPolarHBondContact CE-O 3.5Å; K28-E70 PolarHBondContact NZ-O 2.86Å; R68-E70 PolarHBondContact N-OE2 3.25Å; E70-C72 PolarHBondContact O-N 3.22Å; E70-R100 HydrophobicContact CG-CB 4.15Å; E70-R100 IonicContact OE1-CZ 3.62Å; E70-R100 IonicContact OE1-NE 3.73Å; E70-R100 PolarHBondContact OE1-NE 3.19Å; E70-R100 IonicContact OE1-NH2 3.4Å; E70-R100 PolarHBondContact OE1-NH2 2.96Å; E70-R100 IonicContact OE2-NH2 2.73Å; E70-R100 PolarHBondContact OE2-NH2 3.05Å; E70-M102 HydrophobicContact CB-CE 4.42Å; E70-M102 HydrophobicContact CG-CE 4.07Å |
| 71 | P | 97.9 | Very high | 98.4 | Very high | 79 Ų | 79 | 29.7 Ų | 29.7 | 51% | 0.513 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -10.6 | 175.6 | 30.6 | -36.3 | 0 | 0 | 0 | 113.2 | K28 V69 | K28-P71 WeakPolarHBondContact CG-O 3.31Å; V69-P71 VanDerWaalsContact C-CD 3.47Å |
| 72 | C | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -29.5 | -176.1 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | K28 G29 V69 E70 F299 A331 | K28-C72 CarbonylContact C-O 3.54Å; K28-C72 VanDerWaalsContact CA-O 3.3Å; K28-C72 WeakPolarHBondContact CA-O 3.35Å; G29-C72 PolarHBondContact N-O 3.23Å; V69-C72 CarbonylContact O-C 3.57Å; V69-C72 WeakPolarHBondContact O-CA 3.25Å; V69-C72 VanDerWaalsContact O-CB 3.32Å; V69-C72 WeakPolarHBondContact O-CB 3.44Å; V69-C72 PolarHBondContact O-N 3.04Å; E70-C72 PolarHBondContact O-N 3.22Å; C72-F299 WeakPolarHBondContact O-CZ 3.24Å; C72-A331 HydrophobicContact CB-CB 4Å |
| 73 | I | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.5 | -172 | -54.3 | -60.2 | 0 | 0 | 0 | 109.2 | G29 L31 V69 G75 V76 M102 F299 A331 | G29-I73 CarbonylContact O-C 3.54Å; G29-I73 WeakPolarHBondContact O-CA 3.48Å; L31-I73 HydrophobicContact CB-CD1 4.42Å; L31-I73 HydrophobicContact CB-CG2 4.47Å; V69-I73 HydrophobicContact CB-CG1 4.13Å; V69-I73 PolarHBondContact O-N 3.47Å; I73-G75 VanDerWaalsContact CG2-O 3.28Å; I73-G75 WeakPolarHBondContact CG2-O 3.32Å; I73-V76 HydrophobicContact CG2-CG2 3.88Å; I73-M102 HydrophobicContact CB-CE 4.06Å; I73-M102 HydrophobicContact CB-SD 3.87Å; I73-M102 HydrophobicContact CG2-CG 4.41Å; I73-M102 HydrophobicContact CG2-SD 3.69Å; I73-M102 WeakPolarHBondContact O-CG 3.24Å; I73-F299 HydrophobicContact CD1-CE2 4Å; I73-F299 HydrophobicContact CD1-CZ 4.37Å; I73-A331 HydrophobicContact CD1-CB 4.47Å |
| 74 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -25.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G29 V103 | G29-G74 PolarHBondContact O-N 3.21Å; G74-V103 WeakPolarHBondContact O-CG2 3.4Å; G74-V103 PolarHBondContact O-N 3.16Å |
| 75 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 162.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G29 I30 L31 I73 V103 | G29-G75 PolarHBondContact O-N 2.76Å; I30-G75 VanDerWaalsContact CA-O 3.27Å; I30-G75 WeakPolarHBondContact CA-O 3.3Å; I30-G75 WeakPolarHBondContact CG2-O 3.4Å; L31-G75 PolarHBondContact N-O 3.39Å; I73-G75 VanDerWaalsContact CG2-O 3.28Å; I73-G75 WeakPolarHBondContact CG2-O 3.32Å; G75-V103 CarbonylContact C-O 3.2Å; G75-V103 WeakPolarHBondContact CA-O 3.34Å |
| 76 | V | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.5 | 177.7 | -169 | 0 | 0 | 0 | 0 | 109.6 | L31 A33 F64 I73 F78 I97 M102 V103 G105 | L31-V76 HydrophobicContact CB-CG1 4.1Å; L31-V76 HydrophobicContact CB-CG2 4.34Å; L31-V76 HydrophobicContact CD2-CG1 3.94Å; L31-V76 HydrophobicContact CG-CG1 4.03Å; L31-V76 CarbonylContact O-C 3.51Å; L31-V76 WeakPolarHBondContact O-CA 3.19Å; A33-V76 HydrophobicContact CB-CG1 4.32Å; F64-V76 HydrophobicContact CD1-CG1 4.26Å; F64-V76 HydrophobicContact CE1-CG1 3.63Å; F64-V76 HydrophobicContact CZ-CG1 4.24Å; I73-V76 HydrophobicContact CG2-CG2 3.88Å; V76-F78 HydrophobicContact CB-CD1 4.34Å; V76-F78 HydrophobicContact CB-CE1 3.86Å; V76-F78 HydrophobicContact CG1-CD1 3.79Å; V76-F78 HydrophobicContact CG1-CE1 3.46Å; V76-F78 VanDerWaalsContact CG1-CE1 3.46Å; V76-I97 HydrophobicContact CG2-CD1 3.96Å; V76-I97 HydrophobicContact CG2-CG1 4.46Å; V76-I97 HydrophobicContact CG2-CG2 4.28Å; V76-M102 HydrophobicContact CG2-SD 4.21Å; V76-V103 PolarHBondContact N-O 3.09Å; V76-G105 WeakPolarHBondContact O-CA 3.28Å; V76-G105 PolarHBondContact O-N 2.86Å |
| 77 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 124.2 | 176.1 | -34.6 | -170.1 | 0 | 0 | 0 | 108.6 | I30 L31 A32 A33 D34 F144 K146 I185 | I30-I77 HydrophobicContact CG2-CD1 3.85Å; I30-I77 HydrophobicContact CG2-CG1 3.45Å; I30-I77 VanDerWaalsContact CG2-CG1 3.45Å; L31-I77 PolarHBondContact O-N 3.41Å; A32-I77 HydrophobicContact CB-CD1 4.16Å; A32-I77 HydrophobicContact CB-CG1 4.4Å; A33-I77 CarbonylContact C-O 3.56Å; A33-I77 WeakPolarHBondContact CA-O 3.49Å; A33-I77 PolarHBondContact N-O 3.25Å; D34-I77 HydrophobicContact CB-CB 3.99Å; D34-I77 HydrophobicContact CB-CG2 3.66Å; D34-I77 PolarHBondContact N-O 3.24Å; I77-F144 HydrophobicContact CD1-CE2 4.3Å; I77-F144 HydrophobicContact CG1-CE2 3.81Å; I77-F144 HydrophobicContact CG1-CZ 4.09Å; I77-K146 HydrophobicContact CD1-CB 4.19Å; I77-K146 HydrophobicContact CD1-CD 3.84Å; I77-K146 HydrophobicContact CD1-CG 4.04Å; I77-K146 HydrophobicContact CG2-CB 3.91Å; I77-K146 HydrophobicContact CG2-CD 4.4Å; I77-I185 HydrophobicContact CD1-CD1 4.31Å |
| 78 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 156.4 | 176.4 | -67.2 | -7.6 | 0 | 0 | 0 | 112 | D34 F64 V76 T82 L83 F93 P94 I97 V104 G105 K107 | D34-F78 VanDerWaalsContact CB-C 3.5Å; D34-F78 WeakPolarHBondContact CB-O 3.45Å; F64-F78 HydrophobicContact CD1-CE1 4.47Å; F64-F78 HydrophobicContact CD2-CE1 4.24Å; F64-F78 HydrophobicContact CD2-CZ 4.19Å; F64-F78 HydrophobicContact CE1-CD1 4.49Å; F64-F78 AromaticContact CE1-CE1 3.79Å; F64-F78 HydrophobicContact CE1-CE1 3.79Å; F64-F78 HydrophobicContact CE2-CD1 4.25Å; F64-F78 AromaticContact CE2-CE1 3.47Å; F64-F78 HydrophobicContact CE2-CE1 3.47Å; F64-F78 VanDerWaalsContact CE2-CE1 3.47Å; F64-F78 AromaticContact CE2-CZ 3.69Å; F64-F78 HydrophobicContact CE2-CZ 3.69Å; F64-F78 AromaticContact CZ-CD1 3.78Å; F64-F78 HydrophobicContact CZ-CD1 3.78Å; F64-F78 AromaticContact CZ-CE1 3.22Å; F64-F78 HydrophobicContact CZ-CE1 3.22Å; F64-F78 AromaticContact CZ-CZ 3.95Å; F64-F78 HydrophobicContact CZ-CZ 3.95Å; V76-F78 HydrophobicContact CB-CD1 4.34Å; V76-F78 HydrophobicContact CB-CE1 3.86Å; V76-F78 HydrophobicContact CG1-CD1 3.79Å; V76-F78 HydrophobicContact CG1-CE1 3.46Å; V76-F78 VanDerWaalsContact CG1-CE1 3.46Å; F78-T82 HydrophobicContact CD1-CG2 4.26Å; F78-T82 HydrophobicContact CD2-CG2 4.4Å; F78-T82 HydrophobicContact CG-CG2 4.17Å; F78-L83 HydrophobicContact CD2-CB 4.44Å; F78-L83 HydrophobicContact CD2-CD1 3.99Å; F78-F93 HydrophobicContact CE2-CB 3.87Å; F78-F93 HydrophobicContact CZ-CB 3.94Å; F78-P94 HydrophobicContact CE2-CG 4.04Å; F78-I97 HydrophobicContact CE1-CG1 4.18Å; F78-I97 HydrophobicContact CZ-CD1 4.49Å; F78-I97 HydrophobicContact CZ-CG1 3.57Å; F78-V104 HydrophobicContact CD2-CG1 4.01Å; F78-V104 HydrophobicContact CE2-CG1 4.03Å; F78-G105 WeakPolarHBondContact CB-O 3.44Å; F78-G105 PolarHBondContact N-O 2.97Å; F78-K107 PolarHBondContact O-N 3.06Å |
| 79 | F | 98.8 | Very high | 98.5 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 159.9 | 157.2 | -172.5 | -117.5 | 0 | 0 | 0 | 109.7 | E81 T82 L83 | F79-E81 VanDerWaalsContact C-N 3.3Å; F79-E81 HydrophobicContact CD1-CB 3.91Å; F79-E81 HydrophobicContact CE1-CB 4.32Å; F79-E81 PolarHBondContact O-N 2.73Å; F79-T82 PolarHBondContact O-N 3.23Å; F79-L83 PolarHBondContact O-N 3.44Å; F79-L83 VanDerWaalsContact O-N 3.16Å |
| 80 | H | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 39 Ų | 39 | 40% | 0.398 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -52.5 | -46.3 | -177.9 | 178.1 | 89.6 | 0 | 0 | 0 | 112.7 | T82 L83 Y84 Y137 | H80-T82 VanDerWaalsContact C-N 3.3Å; H80-T82 PolarHBondContact O-N 2.98Å; H80-L83 WeakPolarHBondContact O-CB 3.45Å; H80-L83 PolarHBondContact O-N 3.37Å; H80-Y84 AromaticContact CE1-CE2 3.42Å; H80-Y84 VanDerWaalsContact CE1-CE2 3.42Å; H80-Y84 WeakPolarHBondContact CE1-CE2 3.29Å; H80-Y84 AromaticContact ND1-CE2 3.76Å; H80-Y84 AromaticContact NE2-CE2 3.79Å; H80-Y84 VanDerWaalsContact O-CD2 3.26Å; H80-Y84 WeakPolarHBondContact O-CD2 3.38Å; H80-Y137 AromaticContact ND1-CE1 3.53Å; H80-Y137 AromaticContact ND1-CZ 3.61Å; H80-Y137 PolarHBondContact ND1-OH 3.37Å |
| 81 | E | 98.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 16% | 0.164 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.9 | -47.4 | 176.9 | -175.7 | -172.9 | 83.1 | 0 | 0 | 111.7 | R56 F79 L83 Y84 Q85 | R56-E81 IonicContact CZ-OE1 3.67Å; R56-E81 IonicContact CZ-OE2 2.7Å; R56-E81 IonicContact NE-OE1 3.33Å; R56-E81 PolarHBondContact NE-OE1 3.2Å; R56-E81 IonicContact NE-OE2 2.98Å; R56-E81 PolarHBondContact NE-OE2 2.9Å; R56-E81 VanDerWaalsContact NE-OE2 3.16Å; R56-E81 IonicContact NH2-OE1 2.75Å; R56-E81 IonicContact NH2-OE2 3.23Å; R56-E81 PolarHBondContact NH2-OE2 3.5Å; F79-E81 VanDerWaalsContact C-N 3.3Å; F79-E81 HydrophobicContact CD1-CB 3.91Å; F79-E81 HydrophobicContact CE1-CB 4.32Å; F79-E81 PolarHBondContact O-N 2.73Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 3.07Å; E81-Y84 PolarHBondContact O-N 3.43Å; E81-Q85 HydrophobicContact CG-CG 4.46Å; E81-Q85 WeakPolarHBondContact O-CG 3.45Å; E81-Q85 PolarHBondContact O-N 2.89Å; E81-Q85 PolarHBondContact OE1-NE2 3.38Å |
| 82 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.4 | -29.4 | -176.5 | -50.7 | 0 | 0 | 0 | 0 | 113 | R60 F64 F78 F79 H80 Y84 Q85 F93 | R60-T82 HydrophobicContact CB-CG2 4.1Å; R60-T82 HydrophobicContact CG-CG2 3.74Å; F64-T82 HydrophobicContact CE2-CG2 3.64Å; F64-T82 HydrophobicContact CZ-CG2 3.95Å; F78-T82 HydrophobicContact CD1-CG2 4.26Å; F78-T82 HydrophobicContact CD2-CG2 4.4Å; F78-T82 HydrophobicContact CG-CG2 4.17Å; F79-T82 PolarHBondContact O-N 3.23Å; H80-T82 VanDerWaalsContact C-N 3.3Å; H80-T82 PolarHBondContact O-N 2.98Å; T82-Y84 PolarHBondContact O-N 2.93Å; T82-Q85 PolarHBondContact O-N 3.5Å; T82-F93 HydrophobicContact CG2-CD2 3.71Å; T82-F93 HydrophobicContact CG2-CE2 4.15Å; T82-F93 WeakPolarHBondContact O-CD2 3.27Å |
| 83 | L | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -30.2 | 176.6 | -169.9 | 73.9 | 0 | 0 | 0 | 112.4 | F78 F79 H80 E81 P94 V104 I106 Y137 D140 | F78-L83 HydrophobicContact CD2-CB 4.44Å; F78-L83 HydrophobicContact CD2-CD1 3.99Å; F79-L83 PolarHBondContact O-N 3.44Å; F79-L83 VanDerWaalsContact O-N 3.16Å; H80-L83 WeakPolarHBondContact O-CB 3.45Å; H80-L83 PolarHBondContact O-N 3.37Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 3.07Å; L83-P94 HydrophobicContact CD1-CG 3.66Å; L83-P94 HydrophobicContact CG-CG 4.27Å; L83-P94 VanDerWaalsContact O-CD 3.32Å; L83-P94 WeakPolarHBondContact O-CD 3.36Å; L83-P94 VanDerWaalsContact O-CG 3.31Å; L83-P94 WeakPolarHBondContact O-CG 3.47Å; L83-V104 HydrophobicContact CD1-CG1 3.91Å; L83-I106 HydrophobicContact CB-CD1 4.46Å; L83-I106 HydrophobicContact CD2-CD1 4.38Å; L83-Y137 HydrophobicContact CD2-CD1 3.31Å; L83-Y137 HydrophobicContact CD2-CE1 3.7Å; L83-Y137 HydrophobicContact CD2-CG 4.28Å; L83-D140 HydrophobicContact CD2-CB 4.33Å |
| 84 | Y | 98.8 | Very high | 98.6 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 2 | -177.4 | -57.6 | -72.4 | 0 | 0 | 0 | 113.9 | H80 E81 T82 Y137 D140 | H80-Y84 AromaticContact CE1-CE2 3.42Å; H80-Y84 VanDerWaalsContact CE1-CE2 3.42Å; H80-Y84 WeakPolarHBondContact CE1-CE2 3.29Å; H80-Y84 AromaticContact ND1-CE2 3.76Å; H80-Y84 AromaticContact NE2-CE2 3.79Å; H80-Y84 VanDerWaalsContact O-CD2 3.26Å; H80-Y84 WeakPolarHBondContact O-CD2 3.38Å; E81-Y84 PolarHBondContact O-N 3.43Å; T82-Y84 PolarHBondContact O-N 2.93Å; Y84-Y137 HydrophobicContact CE2-CE1 4.38Å; Y84-D140 HydrophobicContact CE1-CB 4.16Å; Y84-D140 VanDerWaalsContact CE1-OD2 3.26Å; Y84-D140 WeakPolarHBondContact CE1-OD2 3.12Å; Y84-D140 PolarHBondContact OH-OD2 3.35Å |
| 85 | Q | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | trans | -79.7 | 161.3 | 174 | -82.9 | 174.2 | -18.7 | 0 | 0 | 112 | R57 E81 T82 F93 | R57-Q85 HydrophobicContact CG-CB 4.21Å; R57-Q85 HydrophobicContact CG-CG 4.25Å; E81-Q85 HydrophobicContact CG-CG 4.46Å; E81-Q85 WeakPolarHBondContact O-CG 3.45Å; E81-Q85 PolarHBondContact O-N 2.89Å; E81-Q85 PolarHBondContact OE1-NE2 3.38Å; T82-Q85 PolarHBondContact O-N 3.5Å; Q85-F93 HydrophobicContact CB-CD2 3.58Å; Q85-F93 HydrophobicContact CB-CE2 3.43Å; Q85-F93 VanDerWaalsContact CB-CE2 3.43Å; Q85-F93 PolarHBondContact O-N 3Å; Q85-F93 VanDerWaalsContact O-N 3.1Å | ||
| 86 | K | 98.8 | Very high | 98.6 | Very high | 111 Ų | 111 | 43.4 Ų | 43.4 | 48% | 0.483 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -123.8 | 155 | -176.7 | -66.2 | 174.5 | 176 | -172.7 | 0 | 111.9 | R57 G90 K91 L92 | R57-K86 VanDerWaalsContact CD-O 3.3Å; R57-K86 WeakPolarHBondContact CD-O 3.48Å; R57-K86 WeakPolarHBondContact CG-O 3.42Å; R57-K86 PolarHBondContact NH1-O 3.36Å; K86-G90 WeakPolarHBondContact CD-O 3.46Å; K86-K91 CarbonylContact C-O 3.52Å; K86-K91 WeakPolarHBondContact CA-O 3.42Å; K86-K91 WeakPolarHBondContact CB-O 3.4Å; K86-L92 HydrophobicContact CG-CD2 3.82Å; K86-L92 HydrophobicContact CG-CG 4.38Å |
| 87 | T | 98.4 | Very high | 98.5 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | trans | -70 | 169.7 | 165.6 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | Q61 D89 G90 K91 F93 L96 | Q61-T87 HydrophobicContact CG-CG2 4.46Å; T87-D89 WeakPolarHBondContact CB-OD1 2.91Å; T87-D89 PolarHBondContact O-N 2.73Å; T87-D89 PolarHBondContact OG1-OD1 2.72Å; T87-G90 PolarHBondContact O-N 3.27Å; T87-K91 PolarHBondContact N-O 3.41Å; T87-K91 WeakPolarHBondContact OG1-CA 3.39Å; T87-K91 VanDerWaalsContact OG1-CB 3.31Å; T87-K91 WeakPolarHBondContact OG1-CB 3.43Å; T87-K91 PolarHBondContact OG1-N 3.08Å; T87-K91 PolarHBondContact OG1-O 3.29Å; T87-K91 VanDerWaalsContact OG1-O 3.07Å; T87-F93 HydrophobicContact CG2-CD1 3.79Å; T87-F93 HydrophobicContact CG2-CE1 3.71Å; T87-L96 HydrophobicContact CG2-CD2 3.82Å | ||
| 88 | D | 98 | Very high | 98.5 | Very high | 111 Ų | 111 | 47.6 Ų | 47.6 | 59% | 0.594 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30 | 176.1 | -61.1 | -20.8 | 0 | 0 | 0 | 113.1 | R57 Q61 G90 | R57-D88 IonicContact CZ-OD1 3.34Å; R57-D88 VanDerWaalsContact CZ-OD1 3.26Å; R57-D88 IonicContact NH1-OD1 2.69Å; R57-D88 PolarHBondContact NH1-OD1 3.39Å; R57-D88 IonicContact NH2-OD1 3.16Å; R57-D88 PolarHBondContact NH2-OD1 3Å; Q61-D88 PolarHBondContact NE2-OD2 3.48Å; Q61-D88 PolarHBondContact OE1-OD1 3.01Å; Q61-D88 VanDerWaalsContact OE1-OD1 3.13Å; D88-G90 VanDerWaalsContact C-N 3.25Å; D88-G90 PolarHBondContact O-N 3.36Å |
| 89 | D | 96.6 | Very high | 98.5 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 66% | 0.663 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 8.5 | 174.5 | 67.7 | -30.5 | 0 | 0 | 0 | 113.4 | T87 K91 | T87-D89 WeakPolarHBondContact CB-OD1 2.91Å; T87-D89 PolarHBondContact O-N 2.73Å; T87-D89 PolarHBondContact OG1-OD1 2.72Å; D89-K91 PolarHBondContact O-N 2.94Å |
| 90 | G | 97.9 | Very high | 98.4 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 43% | 0.433 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 82.4 | 6.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K86 T87 D88 | K86-G90 WeakPolarHBondContact CD-O 3.46Å; T87-G90 PolarHBondContact O-N 3.27Å; D88-G90 VanDerWaalsContact C-N 3.25Å; D88-G90 PolarHBondContact O-N 3.36Å |
| 91 | K | 98.2 | Very high | 98.4 | Very high | 52 Ų | 52 | 53 Ų | 53 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | trans | -77.9 | 138 | 176.7 | -173.1 | 178 | -59.9 | -171.7 | 0 | 110.8 | K86 T87 D89 Q95 L96 E99 | K86-K91 CarbonylContact C-O 3.52Å; K86-K91 WeakPolarHBondContact CA-O 3.42Å; K86-K91 WeakPolarHBondContact CB-O 3.4Å; T87-K91 PolarHBondContact N-O 3.41Å; T87-K91 WeakPolarHBondContact OG1-CA 3.39Å; T87-K91 VanDerWaalsContact OG1-CB 3.31Å; T87-K91 WeakPolarHBondContact OG1-CB 3.43Å; T87-K91 PolarHBondContact OG1-N 3.08Å; T87-K91 PolarHBondContact OG1-O 3.29Å; T87-K91 VanDerWaalsContact OG1-O 3.07Å; D89-K91 PolarHBondContact O-N 2.94Å; K91-Q95 HydrophobicContact CD-CB 4.26Å; K91-Q95 HydrophobicContact CG-CB 3.84Å; K91-L96 HydrophobicContact CD-CB 4.2Å; K91-E99 WeakPolarHBondContact CE-OE1 3.28Å; K91-E99 IonicContact NZ-OE1 3.56Å; K91-E99 PolarHBondContact NZ-OE1 2.85Å; K91-E99 IonicContact NZ-OE2 2.66Å; K91-E99 PolarHBondContact NZ-OE2 3.36Å | ||
| 92 | L | 98.7 | Very high | 98.4 | Very high | 57 Ų | 57 | 51.7 Ų | 51.7 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -66.7 | 138.7 | 174.9 | -75.2 | 169.5 | 0 | 0 | 0 | 110.1 | K86 P94 Q95 L96 | K86-L92 HydrophobicContact CG-CD2 3.82Å; K86-L92 HydrophobicContact CG-CG 4.38Å; L92-P94 VanDerWaalsContact C-N 3.32Å; L92-Q95 HydrophobicContact CB-CB 4.46Å; L92-Q95 HydrophobicContact CB-CG 4.04Å; L92-Q95 WeakPolarHBondContact O-CA 3.5Å; L92-Q95 WeakPolarHBondContact O-CB 3.28Å; L92-Q95 PolarHBondContact O-N 3.44Å; L92-L96 PolarHBondContact O-N 2.84Å; L92-L96 VanDerWaalsContact O-N 3.14Å |
| 93 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.2 | -40 | 178.1 | -71.5 | -41.1 | 0 | 0 | 0 | 113.8 | R57 R60 Q61 F64 F78 T82 Q85 T87 Q95 L96 I97 | R57-F93 HydrophobicContact CG-CE2 4.11Å; R57-F93 HydrophobicContact CG-CZ 3.98Å; R60-F93 HydrophobicContact CB-CE2 4.15Å; R60-F93 HydrophobicContact CB-CZ 4.38Å; Q61-F93 HydrophobicContact CB-CE1 3.79Å; Q61-F93 HydrophobicContact CB-CZ 3.85Å; Q61-F93 HydrophobicContact CG-CE1 4.18Å; F64-F93 HydrophobicContact CD2-CB 4.1Å; F64-F93 AromaticContact CD2-CD1 3.67Å; F64-F93 HydrophobicContact CD2-CD1 3.67Å; F64-F93 HydrophobicContact CD2-CD2 4.21Å; F64-F93 HydrophobicContact CD2-CE1 4.08Å; F64-F93 AromaticContact CD2-CG 3.75Å; F64-F93 HydrophobicContact CD2-CG 3.75Å; F64-F93 HydrophobicContact CE2-CB 4.18Å; F64-F93 HydrophobicContact CE2-CD1 4.27Å; F64-F93 AromaticContact CE2-CD2 3.98Å; F64-F93 HydrophobicContact CE2-CD2 3.98Å; F64-F93 HydrophobicContact CE2-CE2 4.39Å; F64-F93 AromaticContact CE2-CG 3.92Å; F64-F93 HydrophobicContact CE2-CG 3.92Å; F78-F93 HydrophobicContact CE2-CB 3.87Å; F78-F93 HydrophobicContact CZ-CB 3.94Å; T82-F93 HydrophobicContact CG2-CD2 3.71Å; T82-F93 HydrophobicContact CG2-CE2 4.15Å; T82-F93 WeakPolarHBondContact O-CD2 3.27Å; Q85-F93 HydrophobicContact CB-CD2 3.58Å; Q85-F93 HydrophobicContact CB-CE2 3.43Å; Q85-F93 VanDerWaalsContact CB-CE2 3.43Å; Q85-F93 PolarHBondContact O-N 3Å; Q85-F93 VanDerWaalsContact O-N 3.1Å; T87-F93 HydrophobicContact CG2-CD1 3.79Å; T87-F93 HydrophobicContact CG2-CE1 3.71Å; F93-Q95 VanDerWaalsContact C-N 3.26Å; F93-Q95 PolarHBondContact O-N 3.08Å; F93-L96 HydrophobicContact CD1-CD2 4.5Å; F93-L96 PolarHBondContact O-N 3.12Å; F93-I97 WeakPolarHBondContact O-CG1 3.11Å; F93-I97 PolarHBondContact O-N 3.39Å |
| 94 | P | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.045 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.8 | -37.8 | 172.2 | -30.5 | 37.3 | 0 | 0 | 0 | 114.3 | F78 L83 L92 K98 V104 | F78-P94 HydrophobicContact CE2-CG 4.04Å; L83-P94 HydrophobicContact CD1-CG 3.66Å; L83-P94 HydrophobicContact CG-CG 4.27Å; L83-P94 VanDerWaalsContact O-CD 3.32Å; L83-P94 WeakPolarHBondContact O-CD 3.36Å; L83-P94 VanDerWaalsContact O-CG 3.31Å; L83-P94 WeakPolarHBondContact O-CG 3.47Å; L92-P94 VanDerWaalsContact C-N 3.32Å; P94-K98 WeakPolarHBondContact O-CB 3.32Å; P94-K98 WeakPolarHBondContact O-CG 3.31Å; P94-K98 PolarHBondContact O-N 3.25Å; P94-V104 HydrophobicContact CB-CG1 4.29Å; P94-V104 HydrophobicContact CB-CG2 4.06Å; P94-V104 HydrophobicContact CG-CG1 4.4Å |
| 95 | Q | 98.7 | Very high | 98.4 | Very high | 100 Ų | 100 | 47.3 Ų | 47.3 | 47% | 0.467 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.2 | -46.7 | 177.9 | -66 | 171.9 | -21.3 | 0 | 0 | 110.5 | K91 L92 F93 I97 K98 E99 | K91-Q95 HydrophobicContact CD-CB 4.26Å; K91-Q95 HydrophobicContact CG-CB 3.84Å; L92-Q95 HydrophobicContact CB-CB 4.46Å; L92-Q95 HydrophobicContact CB-CG 4.04Å; L92-Q95 WeakPolarHBondContact O-CA 3.5Å; L92-Q95 WeakPolarHBondContact O-CB 3.28Å; L92-Q95 PolarHBondContact O-N 3.44Å; F93-Q95 VanDerWaalsContact C-N 3.26Å; F93-Q95 PolarHBondContact O-N 3.08Å; Q95-I97 VanDerWaalsContact C-N 3.35Å; Q95-I97 PolarHBondContact O-N 2.75Å; Q95-K98 PolarHBondContact O-N 3.49Å; Q95-E99 WeakPolarHBondContact O-CG 3.43Å; Q95-E99 PolarHBondContact O-N 3.37Å |
| 96 | L | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.9 | -47.8 | 175.6 | 174 | 65.3 | 0 | 0 | 0 | 111.8 | F64 T65 T87 K91 L92 F93 K98 E99 R100 | F64-L96 HydrophobicContact CB-CD2 3.82Å; T65-L96 HydrophobicContact CG2-CD2 3.73Å; T87-L96 HydrophobicContact CG2-CD2 3.82Å; K91-L96 HydrophobicContact CD-CB 4.2Å; L92-L96 PolarHBondContact O-N 2.84Å; L92-L96 VanDerWaalsContact O-N 3.14Å; F93-L96 HydrophobicContact CD1-CD2 4.5Å; F93-L96 PolarHBondContact O-N 3.12Å; L96-K98 PolarHBondContact O-N 2.8Å; L96-E99 PolarHBondContact O-N 2.93Å; L96-R100 WeakPolarHBondContact O-CG 3.4Å; L96-R100 PolarHBondContact O-N 2.86Å |
| 97 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | -179.7 | -67 | -50.4 | 0 | 0 | 0 | 111.2 | F64 V76 F78 F93 Q95 R100 M102 V104 | F64-I97 HydrophobicContact CB-CD1 3.89Å; F64-I97 HydrophobicContact CD1-CD1 4.18Å; F64-I97 HydrophobicContact CG-CD1 3.96Å; V76-I97 HydrophobicContact CG2-CD1 3.96Å; V76-I97 HydrophobicContact CG2-CG1 4.46Å; V76-I97 HydrophobicContact CG2-CG2 4.28Å; F78-I97 HydrophobicContact CE1-CG1 4.18Å; F78-I97 HydrophobicContact CZ-CD1 4.49Å; F78-I97 HydrophobicContact CZ-CG1 3.57Å; F93-I97 WeakPolarHBondContact O-CG1 3.11Å; F93-I97 PolarHBondContact O-N 3.39Å; Q95-I97 VanDerWaalsContact C-N 3.35Å; Q95-I97 PolarHBondContact O-N 2.75Å; I97-R100 PolarHBondContact O-N 2.88Å; I97-M102 HydrophobicContact CD1-SD 4.49Å; I97-M102 HydrophobicContact CG2-CB 3.54Å; I97-M102 WeakPolarHBondContact O-CB 3.42Å; I97-M102 PolarHBondContact O-N 3.07Å; I97-M102 VanDerWaalsContact O-N 3.12Å; I97-V104 HydrophobicContact CB-CG2 3.84Å; I97-V104 HydrophobicContact CG2-CG2 3.64Å |
| 98 | K | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 41.9 Ų | 41.9 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.7 | -40 | 178.8 | -74 | -173 | 177.8 | -159.4 | 0 | 113.3 | P94 Q95 L96 R100 D101 V104 G141 D143 | P94-K98 WeakPolarHBondContact O-CB 3.32Å; P94-K98 WeakPolarHBondContact O-CG 3.31Å; P94-K98 PolarHBondContact O-N 3.25Å; Q95-K98 PolarHBondContact O-N 3.49Å; L96-K98 PolarHBondContact O-N 2.8Å; K98-R100 PolarHBondContact O-N 3.04Å; K98-D101 PolarHBondContact O-N 2.94Å; K98-V104 HydrophobicContact CG-CG2 4.08Å; K98-G141 WeakPolarHBondContact CE-O 3.27Å; K98-G141 PolarHBondContact NZ-O 2.85Å; K98-D143 WeakPolarHBondContact CE-OD2 3.4Å; K98-D143 IonicContact NZ-OD2 3.16Å; K98-D143 PolarHBondContact NZ-OD2 3.49Å |
| 99 | E | 97.9 | Very high | 98.5 | Very high | 124 Ų | 124 | 37.1 Ų | 37.1 | 58% | 0.579 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -60.3 | -25.9 | 175.1 | -75.1 | 174.2 | -173.4 | 0 | 0 | 112.6 | K91 Q95 L96 D101 | K91-E99 WeakPolarHBondContact CE-OE1 3.28Å; K91-E99 IonicContact NZ-OE1 3.56Å; K91-E99 PolarHBondContact NZ-OE1 2.85Å; K91-E99 IonicContact NZ-OE2 2.66Å; K91-E99 PolarHBondContact NZ-OE2 3.36Å; Q95-E99 WeakPolarHBondContact O-CG 3.43Å; Q95-E99 PolarHBondContact O-N 3.37Å; L96-E99 PolarHBondContact O-N 2.93Å; E99-D101 VanDerWaalsContact C-N 3.3Å |
| 100 | R | 97.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 13% | 0.132 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 16.7 | 177.5 | -60.7 | -175.9 | 74.6 | 169.5 | 4 | 113.5 | F64 T65 A66 E70 L96 I97 K98 M102 | F64-R100 PolarHBondContact O-NH1 2.68Å; T65-R100 VanDerWaalsContact C-NH1 3.34Å; A66-R100 PolarHBondContact O-NH1 2.91Å; A66-R100 PolarHBondContact O-NH2 2.66Å; E70-R100 HydrophobicContact CG-CB 4.15Å; E70-R100 IonicContact OE1-CZ 3.62Å; E70-R100 IonicContact OE1-NE 3.73Å; E70-R100 PolarHBondContact OE1-NE 3.19Å; E70-R100 IonicContact OE1-NH2 3.4Å; E70-R100 PolarHBondContact OE1-NH2 2.96Å; E70-R100 IonicContact OE2-NH2 2.73Å; E70-R100 PolarHBondContact OE2-NH2 3.05Å; L96-R100 WeakPolarHBondContact O-CG 3.4Å; L96-R100 PolarHBondContact O-N 2.86Å; I97-R100 PolarHBondContact O-N 2.88Å; K98-R100 PolarHBondContact O-N 3.04Å; R100-M102 HydrophobicContact CB-CE 4.22Å; R100-M102 PolarHBondContact O-N 3.38Å |
| 101 | D | 97.9 | Very high | 98.5 | Very high | 87 Ų | 87 | 35 Ų | 35 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 29.4 | -179.9 | -167.5 | 46.9 | 0 | 0 | 0 | 114.5 | K22 K28 K98 E99 | K22-D101 WeakPolarHBondContact CE-O 3.44Å; K22-D101 WeakPolarHBondContact CE-OD1 3.36Å; K22-D101 IonicContact NZ-OD1 3.86Å; K22-D101 PolarHBondContact NZ-OD1 3.19Å; K28-D101 IonicContact NZ-OD2 3.36Å; K98-D101 PolarHBondContact O-N 2.94Å; E99-D101 VanDerWaalsContact C-N 3.3Å |
| 102 | M | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | trans | -105 | 153.8 | 174.2 | -58 | 178.4 | -164.3 | 0 | 0 | 110.5 | V69 E70 I73 V76 I97 R100 | V69-M102 HydrophobicContact CG2-CE 3.93Å; E70-M102 HydrophobicContact CB-CE 4.42Å; E70-M102 HydrophobicContact CG-CE 4.07Å; I73-M102 HydrophobicContact CB-CE 4.06Å; I73-M102 HydrophobicContact CB-SD 3.87Å; I73-M102 HydrophobicContact CG2-CG 4.41Å; I73-M102 HydrophobicContact CG2-SD 3.69Å; I73-M102 WeakPolarHBondContact O-CG 3.24Å; V76-M102 HydrophobicContact CG2-SD 4.21Å; I97-M102 HydrophobicContact CD1-SD 4.49Å; I97-M102 HydrophobicContact CG2-CB 3.54Å; I97-M102 WeakPolarHBondContact O-CB 3.42Å; I97-M102 PolarHBondContact O-N 3.07Å; I97-M102 VanDerWaalsContact O-N 3.12Å; R100-M102 HydrophobicContact CB-CE 4.22Å; R100-M102 PolarHBondContact O-N 3.38Å | ||
| 103 | V | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 139 | 177.6 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | I19 K22 I23 G74 G75 V76 D143 F144 | I19-V103 HydrophobicContact CG2-CG1 4.04Å; K22-V103 HydrophobicContact CB-CG2 4.33Å; K22-V103 HydrophobicContact CD-CG2 3.77Å; K22-V103 HydrophobicContact CG-CG2 3.89Å; I23-V103 HydrophobicContact CD1-CB 4.49Å; I23-V103 HydrophobicContact CD1-CG1 4.29Å; I23-V103 HydrophobicContact CG1-CB 3.86Å; I23-V103 HydrophobicContact CG1-CG1 4.16Å; I23-V103 HydrophobicContact CG1-CG2 3.83Å; G74-V103 WeakPolarHBondContact O-CG2 3.4Å; G74-V103 PolarHBondContact O-N 3.16Å; G75-V103 CarbonylContact C-O 3.2Å; G75-V103 WeakPolarHBondContact CA-O 3.34Å; V76-V103 PolarHBondContact N-O 3.09Å; V103-D143 HydrophobicContact CG1-CB 3.59Å; V103-F144 HydrophobicContact CB-CD1 4.18Å; V103-F144 HydrophobicContact CB-CE1 4.13Å; V103-F144 HydrophobicContact CG1-CD1 3.62Å; V103-F144 HydrophobicContact CG1-CE1 4.05Å; V103-F144 WeakPolarHBondContact O-CE1 3.45Å |
| 104 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 130 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | F78 L83 P94 I97 K98 G141 A142 D143 F144 | F78-V104 HydrophobicContact CD2-CG1 4.01Å; F78-V104 HydrophobicContact CE2-CG1 4.03Å; L83-V104 HydrophobicContact CD1-CG1 3.91Å; P94-V104 HydrophobicContact CB-CG1 4.29Å; P94-V104 HydrophobicContact CB-CG2 4.06Å; P94-V104 HydrophobicContact CG-CG1 4.4Å; I97-V104 HydrophobicContact CB-CG2 3.84Å; I97-V104 HydrophobicContact CG2-CG2 3.64Å; K98-V104 HydrophobicContact CG-CG2 4.08Å; V104-G141 WeakPolarHBondContact CB-O 3.36Å; V104-A142 HydrophobicContact CG1-CB 4.34Å; V104-A142 WeakPolarHBondContact O-CA 3.42Å; V104-D143 PolarHBondContact O-N 2.88Å; V104-F144 VanDerWaalsContact C-CE1 3.4Å; V104-F144 VanDerWaalsContact O-CD1 3.29Å; V104-F144 WeakPolarHBondContact O-CD1 3.34Å; V104-F144 PolarHBondContact O-N 3.4Å |
| 105 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 157 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V76 F78 F144 | V76-G105 WeakPolarHBondContact O-CA 3.28Å; V76-G105 PolarHBondContact O-N 2.86Å; F78-G105 WeakPolarHBondContact CB-O 3.44Å; F78-G105 PolarHBondContact N-O 2.97Å; G105-F144 CarbonylContact C-O 3.54Å; G105-F144 VanDerWaalsContact CA-CD1 3.46Å; G105-F144 VanDerWaalsContact CA-CZ 3.42Å; G105-F144 WeakPolarHBondContact CA-O 3.32Å |
| 106 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.3 | -179.4 | -176.4 | 59.5 | 0 | 0 | 0 | 112 | L83 V108 Y137 A142 F144 A145 K146 | L83-I106 HydrophobicContact CB-CD1 4.46Å; L83-I106 HydrophobicContact CD2-CD1 4.38Å; I106-V108 HydrophobicContact CG1-CG1 4.22Å; I106-V108 HydrophobicContact CG2-CG1 3.83Å; I106-V108 PolarHBondContact O-N 3.33Å; I106-Y137 HydrophobicContact CD1-CE1 4.36Å; I106-Y137 HydrophobicContact CG1-CD1 4.19Å; I106-Y137 HydrophobicContact CG1-CD2 3.89Å; I106-Y137 HydrophobicContact CG1-CE1 4.06Å; I106-Y137 HydrophobicContact CG1-CE2 3.75Å; I106-Y137 HydrophobicContact CG1-CG 4.09Å; I106-Y137 HydrophobicContact CG2-CD2 3.89Å; I106-Y137 HydrophobicContact CG2-CE2 4.49Å; I106-Y137 HydrophobicContact CG2-CG 4.09Å; I106-A142 HydrophobicContact CB-CB 4.12Å; I106-A142 HydrophobicContact CG2-CB 3.74Å; I106-F144 PolarHBondContact N-O 3.33Å; I106-A145 HydrophobicContact CG2-CB 4.25Å; I106-A145 CarbonylContact O-C 3.58Å; I106-A145 WeakPolarHBondContact O-CA 3.44Å; I106-A145 WeakPolarHBondContact O-CB 3.2Å; I106-K146 PolarHBondContact O-N 3.36Å |
| 107 | K | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 124.8 | 167.3 | 179.5 | -177.5 | -172.8 | -73.7 | 0 | 109.6 | D34 F78 D109 | D34-K107 HydrophobicContact CB-CB 3.84Å; D34-K107 HydrophobicContact CB-CD 4.45Å; D34-K107 WeakPolarHBondContact OD2-CD 3.15Å; F78-K107 PolarHBondContact O-N 3.06Å; K107-D109 WeakPolarHBondContact CE-OD1 3.4Å; K107-D109 WeakPolarHBondContact CE-OD2 3.36Å; K107-D109 PolarHBondContact NZ-O 2.89Å; K107-D109 IonicContact NZ-OD1 3.7Å; K107-D109 PolarHBondContact NZ-OD1 2.95Å; K107-D109 IonicContact NZ-OD2 2.65Å; K107-D109 PolarHBondContact NZ-OD2 3.37Å |
| 108 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -117.2 | -16.1 | -174.7 | -59.4 | 0 | 0 | 0 | 0 | 114.8 | I106 L130 R133 Y137 A145 K146 W147 Y173 | I106-V108 HydrophobicContact CG1-CG1 4.22Å; I106-V108 HydrophobicContact CG2-CG1 3.83Å; I106-V108 PolarHBondContact O-N 3.33Å; V108-L130 HydrophobicContact CB-CD1 3.71Å; V108-L130 HydrophobicContact CG1-CD1 4.36Å; V108-L130 HydrophobicContact CG2-CD1 3.78Å; V108-R133 PolarHBondContact O-NH1 2.78Å; V108-R133 PolarHBondContact O-NH2 3.45Å; V108-Y137 HydrophobicContact CG1-CD2 4.03Å; V108-Y137 HydrophobicContact CG1-CE2 3.87Å; V108-A145 HydrophobicContact CG1-CB 4.07Å; V108-A145 HydrophobicContact CG2-CB 4.16Å; V108-K146 PolarHBondContact N-O 3.29Å; V108-W147 HydrophobicContact CG2-CE3 4.08Å; V108-Y173 HydrophobicContact CG2-CD2 3.76Å; V108-Y173 HydrophobicContact CG2-CE2 3.34Å | ||
| 109 | D | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | trans | -67.1 | 151.5 | 172.8 | 77.2 | 78.7 | 0 | 0 | 0 | 111.9 | K107 G111 T124 W147 R148 | K107-D109 WeakPolarHBondContact CE-OD1 3.4Å; K107-D109 WeakPolarHBondContact CE-OD2 3.36Å; K107-D109 PolarHBondContact NZ-O 2.89Å; K107-D109 IonicContact NZ-OD1 3.7Å; K107-D109 PolarHBondContact NZ-OD1 2.95Å; K107-D109 IonicContact NZ-OD2 2.65Å; K107-D109 PolarHBondContact NZ-OD2 3.37Å; D109-G111 PolarHBondContact OD1-N 3.06Å; D109-T124 HydrophobicContact CB-CG2 3.65Å; D109-W147 HydrophobicContact CB-CB 4.39Å; D109-W147 HydrophobicContact CB-CD2 3.46Å; D109-W147 VanDerWaalsContact CB-CD2 3.46Å; D109-W147 HydrophobicContact CB-CE3 3.65Å; D109-W147 HydrophobicContact CB-CG 3.81Å; D109-W147 HydrophobicContact CB-CH2 4.44Å; D109-W147 HydrophobicContact CB-CZ2 4.29Å; D109-W147 HydrophobicContact CB-CZ3 4.14Å; D109-R148 PolarHBondContact OD2-N 3.06Å | ||
| 110 | K | 98.1 | Very high | 98.2 | Very high | 108 Ų | 108 | 43 Ų | 43 | 47% | 0.47 | 29% | 0.286 | S | S | . | . | trans | -106.5 | 29.5 | 179.6 | -63.6 | -177.1 | -176.2 | 166.6 | 0 | 111.9 | Q125 D128 | K110-Q125 HydrophobicContact CB-CG 4.09Å; K110-Q125 PolarHBondContact N-O 2.91Å; K110-Q125 PolarHBondContact O-NE2 3.42Å; K110-D128 PolarHBondContact NZ-O 2.73Å | ||
| 111 | G | 96.9 | Very high | 98.2 | Very high | 13 Ų | 13 | 42 Ų | 42 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | trans | 85.4 | 175 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D109 T124 Q125 | D109-G111 PolarHBondContact OD1-N 3.06Å; G111-T124 WeakPolarHBondContact O-CG2 3.3Å; G111-Q125 VanDerWaalsContact O-CG 3.3Å; G111-Q125 WeakPolarHBondContact O-CG 3.5Å; G111-Q125 PolarHBondContact O-N 3.23Å | ||
| 112 | V | 98 | Very high | 98.3 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 26% | 0.261 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 151.4 | -178.8 | -64.8 | 0 | 0 | 0 | 0 | 112 | T122 T123 V150 A362 | V112-T122 HydrophobicContact CB-CG2 4.07Å; V112-T122 HydrophobicContact CG2-CG2 4.22Å; V112-T123 CarbonylContact C-O 3.49Å; V112-T123 VanDerWaalsContact CA-O 3.26Å; V112-T123 WeakPolarHBondContact CA-O 3.49Å; V112-V150 HydrophobicContact CG1-CB 4.17Å; V112-V150 HydrophobicContact CG1-CG2 3.64Å; V112-A362 HydrophobicContact CG2-CB 3.94Å |
| 113 | V | 98.3 | Very high | 98.3 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 26% | 0.255 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.8 | 173.1 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | T122 T123 Q125 | V113-T122 CarbonylContact O-C 3.52Å; V113-T122 WeakPolarHBondContact O-CA 3.09Å; V113-T122 VanDerWaalsContact O-CB 3.3Å; V113-T122 WeakPolarHBondContact O-CB 3.49Å; V113-T123 HydrophobicContact CG2-CG2 3.63Å; V113-T123 PolarHBondContact N-O 3.07Å; V113-T123 PolarHBondContact O-N 2.84Å; V113-Q125 HydrophobicContact CG1-CB 4.35Å; V113-Q125 HydrophobicContact CG1-CG 3.85Å; V113-Q125 HydrophobicContact CG2-CB 4.49Å |
| 114 | P | 98.5 | Very high | 98.3 | Very high | 111 Ų | 111 | 39.4 Ų | 39.4 | 72% | 0.721 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 143.6 | -177.2 | 27.8 | -35 | 0 | 0 | 0 | 112 | ||
| 115 | L | 98.3 | Very high | 98.3 | Very high | 26 Ų | 26 | 44 Ų | 44 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | trans | -91.5 | 111.6 | 169.3 | -72.8 | 170.5 | 0 | 0 | 0 | 109.8 | G117 T118 E121 T123 A162 E165 | L115-G117 PolarHBondContact O-N 2.91Å; L115-T118 HydrophobicContact CB-CG2 3.63Å; L115-T118 WeakPolarHBondContact O-CB 3.43Å; L115-T118 PolarHBondContact O-N 3.29Å; L115-T118 PolarHBondContact O-OG1 3.4Å; L115-E121 PolarHBondContact N-O 3.1Å; L115-T123 HydrophobicContact CD2-CG2 3.83Å; L115-T123 HydrophobicContact CG-CG2 4.36Å; L115-A162 HydrophobicContact CD1-CB 4.12Å; L115-E165 HydrophobicContact CD1-CG 4.49Å; L115-E165 HydrophobicContact CD2-CG 4.06Å | ||
| 116 | A | 98.2 | Very high | 98.2 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 81% | 0.81 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 137.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T118 | A116-T118 VanDerWaalsContact C-N 3.31Š|
| 117 | G | 97.6 | Very high | 98.2 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 95% | 0.948 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 6.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | L115 | L115-G117 PolarHBondContact O-N 2.91Š|
| 118 | T | 98.5 | Very high | 98.2 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -107.2 | 163.5 | 174.3 | 72 | 0 | 0 | 0 | 0 | 112.3 | L115 A116 G120 E121 L161 | L115-T118 HydrophobicContact CB-CG2 3.63Å; L115-T118 WeakPolarHBondContact O-CB 3.43Å; L115-T118 PolarHBondContact O-N 3.29Å; L115-T118 PolarHBondContact O-OG1 3.4Å; A116-T118 VanDerWaalsContact C-N 3.31Å; T118-G120 VanDerWaalsContact C-N 3.3Å; T118-G120 PolarHBondContact O-N 2.88Å; T118-E121 WeakPolarHBondContact CB-OE2 3.41Å; T118-E121 HydrophobicContact CG2-CB 4.36Å; T118-E121 WeakPolarHBondContact OG1-CB 3.46Å; T118-E121 PolarHBondContact OG1-N 3.31Å; T118-L161 HydrophobicContact CG2-CD2 3.88Å |
| 119 | N | 97 | Very high | 98.2 | Very high | 109 Ų | 109 | 54.2 Ų | 54.2 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -83.2 | 71.8 | 176.6 | -174 | 22.4 | 0 | 0 | 0 | 111.4 | E121 T156 T157 | N119-E121 VanDerWaalsContact C-N 3.28Å; N119-E121 PolarHBondContact O-N 2.9Å; N119-T156 PolarHBondContact ND2-OG1 3.33Å; N119-T157 HydrophobicContact CB-CG2 4.16Å |
| 120 | G | 96.6 | Very high | 98.2 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 67.2 | 26.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T118 | T118-G120 VanDerWaalsContact C-N 3.3Å; T118-G120 PolarHBondContact O-N 2.88Å |
| 121 | E | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | trans | -86.6 | 162.3 | 176.8 | -52.1 | -176.3 | 97.7 | 0 | 0 | 111.1 | L115 T118 N119 T157 P158 S159 A162 | L115-E121 PolarHBondContact N-O 3.1Å; T118-E121 WeakPolarHBondContact CB-OE2 3.41Å; T118-E121 HydrophobicContact CG2-CB 4.36Å; T118-E121 WeakPolarHBondContact OG1-CB 3.46Å; T118-E121 PolarHBondContact OG1-N 3.31Å; N119-E121 VanDerWaalsContact C-N 3.28Å; N119-E121 PolarHBondContact O-N 2.9Å; E121-T157 HydrophobicContact CG-CG2 3.66Å; E121-P158 WeakPolarHBondContact OE1-CA 3.41Å; E121-S159 PolarHBondContact OE1-N 2.79Å; E121-S159 WeakPolarHBondContact OE2-CB 3.39Å; E121-S159 PolarHBondContact OE2-OG 3.44Å; E121-A162 HydrophobicContact CB-CB 4.04Å; E121-A162 HydrophobicContact CG-CB 4.37Å; E121-A162 WeakPolarHBondContact OE1-CB 3.37Å | ||
| 122 | T | 98.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 155.1 | -174.8 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | V112 V113 V150 N166 | V112-T122 HydrophobicContact CB-CG2 4.07Å; V112-T122 HydrophobicContact CG2-CG2 4.22Å; V113-T122 CarbonylContact O-C 3.52Å; V113-T122 WeakPolarHBondContact O-CA 3.09Å; V113-T122 VanDerWaalsContact O-CB 3.3Å; V113-T122 WeakPolarHBondContact O-CB 3.49Å; T122-V150 PolarHBondContact OG1-O 3.03Å; T122-N166 PolarHBondContact O-ND2 3.22Å |
| 123 | T | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 9% | 0.086 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -179.3 | 153.6 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | V112 V113 L115 E165 | V112-T123 CarbonylContact C-O 3.49Å; V112-T123 VanDerWaalsContact CA-O 3.26Å; V112-T123 WeakPolarHBondContact CA-O 3.49Å; V113-T123 HydrophobicContact CG2-CG2 3.63Å; V113-T123 PolarHBondContact N-O 3.07Å; V113-T123 PolarHBondContact O-N 2.84Å; L115-T123 HydrophobicContact CD2-CG2 3.83Å; L115-T123 HydrophobicContact CG-CG2 4.36Å; T123-E165 HydrophobicContact CG2-CG 4.18Å; T123-E165 WeakPolarHBondContact OG1-CG 3.37Å; T123-E165 PolarHBondContact OG1-OE1 3.14Å; T123-E165 VanDerWaalsContact OG1-OE1 3.06Å |
| 124 | T | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.4 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | D109 G111 W147 R148 C149 | D109-T124 HydrophobicContact CB-CG2 3.65Å; G111-T124 WeakPolarHBondContact O-CG2 3.3Å; T124-W147 HydrophobicContact CG2-CD2 4.41Å; T124-W147 VanDerWaalsContact CG2-CE2 3.5Å; T124-W147 HydrophobicContact CG2-CZ2 3.72Å; T124-W147 WeakPolarHBondContact O-CZ2 3.34Å; T124-R148 WeakPolarHBondContact CB-O 3.47Å; T124-R148 WeakPolarHBondContact CG2-O 3.47Å; T124-R148 PolarHBondContact OG1-O 3.15Å; T124-C149 WeakPolarHBondContact OG1-CA 3.16Å |
| 125 | Q | 98.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 54.1 Ų | 54.1 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | trans | -101.8 | 164.6 | 179.2 | 59.1 | 170.9 | 13.5 | 0 | 0 | 112.3 | K110 G111 V113 W147 | K110-Q125 HydrophobicContact CB-CG 4.09Å; K110-Q125 PolarHBondContact N-O 2.91Å; K110-Q125 PolarHBondContact O-NE2 3.42Å; G111-Q125 VanDerWaalsContact O-CG 3.3Å; G111-Q125 WeakPolarHBondContact O-CG 3.5Å; G111-Q125 PolarHBondContact O-N 3.23Å; V113-Q125 HydrophobicContact CG1-CB 4.35Å; V113-Q125 HydrophobicContact CG1-CG 3.85Å; V113-Q125 HydrophobicContact CG2-CB 4.49Å; Q125-W147 VanDerWaalsContact C-CH2 3.45Å; Q125-W147 WeakPolarHBondContact O-CH2 3.26Å; Q125-W147 WeakPolarHBondContact O-CZ2 3.24Å | ||
| 126 | G | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 8% | 0.082 | 35% | 0.354 | C | S | . | . | trans | 134.7 | 6.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | D128 W147 | G126-D128 VanDerWaalsContact C-N 3.31Å; G126-W147 VanDerWaalsContact C-CH2 3.46Å; G126-W147 VanDerWaalsContact CA-CH2 3.49Å | ||
| 127 | L | 98.8 | Very high | 98.5 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | trans | -69.7 | -29.8 | 179.5 | -65.7 | -176.5 | 0 | 0 | 0 | 112.2 | G129 L130 W147 V169 R172 I176 | L127-G129 PolarHBondContact O-N 2.63Å; L127-L130 HydrophobicContact CD2-CD2 3.91Å; L127-L130 WeakPolarHBondContact O-CB 3.37Å; L127-L130 PolarHBondContact O-N 3.47Å; L127-W147 HydrophobicContact CD2-CH2 3.79Å; L127-W147 HydrophobicContact CD2-CZ2 4.46Å; L127-W147 HydrophobicContact CD2-CZ3 4.03Å; L127-W147 HydrophobicContact CG-CH2 3.98Å; L127-V169 HydrophobicContact CD1-CG2 3.9Å; L127-V169 HydrophobicContact CD2-CG2 4.41Å; L127-V169 HydrophobicContact CG-CG2 4.08Å; L127-R172 HydrophobicContact CD1-CB 3.71Å; L127-R172 HydrophobicContact CD1-CG 4.24Å; L127-R172 HydrophobicContact CD2-CB 4.09Å; L127-I176 HydrophobicContact CD2-CD1 4.33Å | ||
| 128 | D | 98.6 | Very high | 98.5 | Very high | 138 Ų | 138 | 50.5 Ų | 50.5 | 74% | 0.738 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 119.5 | 178.9 | -61.6 | -13.3 | 0 | 0 | 0 | 111 | K110 G126 L130 | K110-D128 PolarHBondContact NZ-O 2.73Å; G126-D128 VanDerWaalsContact C-N 3.31Å; D128-L130 PolarHBondContact O-N 2.85Å |
| 129 | G | 98.4 | Very high | 98.5 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 11.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L127 Y131 E132 R133 | L127-G129 PolarHBondContact O-N 2.63Å; G129-Y131 VanDerWaalsContact C-N 3.31Å; G129-Y131 PolarHBondContact O-N 2.96Å; G129-E132 WeakPolarHBondContact CA-OE2 3.31Å; G129-R133 WeakPolarHBondContact O-CB 3.32Å; G129-R133 WeakPolarHBondContact O-CD 3.33Å; G129-R133 WeakPolarHBondContact O-CG 3.37Å; G129-R133 PolarHBondContact O-N 3.22Å; G129-R133 VanDerWaalsContact O-N 3.08Å |
| 130 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -35.1 | -178.6 | -179.3 | 63.3 | 0 | 0 | 0 | 112 | V108 L127 D128 R133 C134 W147 Y173 I176 | V108-L130 HydrophobicContact CB-CD1 3.71Å; V108-L130 HydrophobicContact CG1-CD1 4.36Å; V108-L130 HydrophobicContact CG2-CD1 3.78Å; L127-L130 HydrophobicContact CD2-CD2 3.91Å; L127-L130 WeakPolarHBondContact O-CB 3.37Å; L127-L130 PolarHBondContact O-N 3.47Å; D128-L130 PolarHBondContact O-N 2.85Å; L130-R133 PolarHBondContact O-N 3.39Å; L130-C134 WeakPolarHBondContact O-CB 3.01Å; L130-C134 PolarHBondContact O-N 2.82Å; L130-C134 PolarHBondContact O-SG 3.5Å; L130-W147 HydrophobicContact CD2-CZ3 4.14Å; L130-Y173 HydrophobicContact CD2-CD2 4Å; L130-I176 HydrophobicContact CB-CD1 4.48Å; L130-I176 HydrophobicContact CB-CG2 4.21Å; L130-I176 HydrophobicContact CD2-CB 4.1Å; L130-I176 HydrophobicContact CD2-CD1 4.1Å; L130-I176 HydrophobicContact CD2-CG2 3.99Å; L130-I176 HydrophobicContact CG-CB 4.42Å; L130-I176 HydrophobicContact CG-CG2 3.76Å |
| 131 | Y | 98.5 | Very high | 98.7 | Very high | 112 Ų | 112 | 51.4 Ų | 51.4 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.8 | -56.1 | 177.9 | -175.2 | -89.1 | 0 | 0 | 0 | 110.7 | G129 R133 C134 A135 M179 H180 | G129-Y131 VanDerWaalsContact C-N 3.31Å; G129-Y131 PolarHBondContact O-N 2.96Å; Y131-R133 VanDerWaalsContact C-N 3.34Å; Y131-R133 PolarHBondContact O-N 3.19Å; Y131-C134 PolarHBondContact O-N 3.21Å; Y131-A135 PolarHBondContact O-N 2.85Å; Y131-A135 VanDerWaalsContact O-N 3.14Å; Y131-M179 HydrophobicContact CD2-CE 3.71Å; Y131-M179 HydrophobicContact CE2-CB 4.42Å; Y131-M179 HydrophobicContact CE2-CE 3.82Å; Y131-M179 HydrophobicContact CE2-SD 4.09Å; Y131-H180 AromaticContact CD1-CE1 3.98Å; Y131-H180 AromaticContact CD1-NE2 3.43Å; Y131-H180 WeakPolarHBondContact CD1-NE2 3.38Å; Y131-H180 AromaticContact CD2-NE2 3.18Å; Y131-H180 WeakPolarHBondContact CD2-NE2 3.5Å; Y131-H180 AromaticContact CE1-CE1 3.53Å; Y131-H180 AromaticContact CE1-NE2 3.39Å; Y131-H180 WeakPolarHBondContact CE1-NE2 3.33Å; Y131-H180 AromaticContact CE2-CE1 3.7Å; Y131-H180 AromaticContact CE2-NE2 3.16Å; Y131-H180 WeakPolarHBondContact CE2-NE2 3.29Å; Y131-H180 AromaticContact CG-NE2 3.31Å; Y131-H180 VanDerWaalsContact CG-NE2 3.31Å; Y131-H180 AromaticContact CZ-CE1 3.35Å; Y131-H180 AromaticContact CZ-NE2 3.25Å; Y131-H180 PolarHBondContact O-CD2 2.73Å; Y131-H180 VanDerWaalsContact O-CD2 3.24Å; Y131-H180 PolarHBondContact O-NE2 3.24Å; Y131-H180 VanDerWaalsContact O-NE2 3.1Å |
| 132 | E | 98.7 | Very high | 98.7 | Very high | 120 Ų | 120 | 50.9 Ų | 50.9 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 179.3 | -61.5 | 72.9 | -158.7 | 0 | 0 | 111.7 | G129 A135 Q136 | G129-E132 WeakPolarHBondContact CA-OE2 3.31Å; E132-A135 PolarHBondContact O-N 2.68Å; E132-Q136 WeakPolarHBondContact O-CB 3.44Å; E132-Q136 PolarHBondContact O-N 3.14Å |
| 133 | R | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.9 | -74.5 | 169.3 | 64 | -138.3 | 2 | 112.2 | V108 G129 L130 Y131 Q136 Y137 | V108-R133 PolarHBondContact O-NH1 2.78Å; V108-R133 PolarHBondContact O-NH2 3.45Å; G129-R133 WeakPolarHBondContact O-CB 3.32Å; G129-R133 WeakPolarHBondContact O-CD 3.33Å; G129-R133 WeakPolarHBondContact O-CG 3.37Å; G129-R133 PolarHBondContact O-N 3.22Å; G129-R133 VanDerWaalsContact O-N 3.08Å; L130-R133 PolarHBondContact O-N 3.39Å; Y131-R133 VanDerWaalsContact C-N 3.34Å; Y131-R133 PolarHBondContact O-N 3.19Å; R133-Q136 PolarHBondContact O-N 2.65Å; R133-Y137 HydrophobicContact CB-CD2 4.33Å; R133-Y137 HydrophobicContact CB-CE2 4.06Å; R133-Y137 WeakPolarHBondContact O-CB 3.35Å; R133-Y137 WeakPolarHBondContact O-CD2 3.28Å; R133-Y137 VanDerWaalsContact O-CG 3.22Å; R133-Y137 PolarHBondContact O-N 3.37Å |
| 134 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.9 | -80.1 | 0 | 0 | 0 | 0 | 111.3 | L130 Y131 Q136 Y137 K138 H180 I182 | L130-C134 WeakPolarHBondContact O-CB 3.01Å; L130-C134 PolarHBondContact O-N 2.82Å; L130-C134 PolarHBondContact O-SG 3.5Å; Y131-C134 PolarHBondContact O-N 3.21Å; C134-Q136 VanDerWaalsContact C-N 3.33Å; C134-Q136 PolarHBondContact O-N 3Å; C134-Y137 PolarHBondContact O-N 2.62Å; C134-K138 WeakPolarHBondContact O-CB 3.48Å; C134-K138 PolarHBondContact O-N 2.89Å; C134-H180 HydrophobicContact CB-CB 3.95Å; C134-I182 HydrophobicContact CB-CD1 4.15Å; C134-I182 WeakPolarHBondContact O-CD1 3.38Å |
| 135 | A | 98.7 | Very high | 98.7 | Very high | 41 Ų | 41 | 50 Ų | 50 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y131 E132 K138 K139 | Y131-A135 PolarHBondContact O-N 2.85Å; Y131-A135 VanDerWaalsContact O-N 3.14Å; E132-A135 PolarHBondContact O-N 2.68Å; A135-K138 PolarHBondContact O-N 3.37Å; A135-K139 PolarHBondContact O-N 2.77Å; A135-K139 VanDerWaalsContact O-N 3.14Å |
| 136 | Q | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 178 | -174.5 | 56.7 | 52.7 | 0 | 0 | 111.7 | E132 R133 C134 K138 K139 D140 | E132-Q136 WeakPolarHBondContact O-CB 3.44Å; E132-Q136 PolarHBondContact O-N 3.14Å; R133-Q136 PolarHBondContact O-N 2.65Å; C134-Q136 VanDerWaalsContact C-N 3.33Å; C134-Q136 PolarHBondContact O-N 3Å; Q136-K138 VanDerWaalsContact C-N 3.32Å; Q136-K138 PolarHBondContact O-N 3.13Å; Q136-K139 WeakPolarHBondContact O-CB 3.48Å; Q136-K139 PolarHBondContact O-N 3.36Å; Q136-D140 PolarHBondContact NE2-OD1 3.4Å; Q136-D140 PolarHBondContact NE2-OD2 2.99Å; Q136-D140 PolarHBondContact O-N 3.41Å |
| 137 | Y | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -35.8 | 178.2 | -67.9 | -40.1 | 0 | 0 | 0 | 113.2 | H80 L83 Y84 I106 V108 R133 C134 D140 G141 A142 | H80-Y137 AromaticContact ND1-CE1 3.53Å; H80-Y137 AromaticContact ND1-CZ 3.61Å; H80-Y137 PolarHBondContact ND1-OH 3.37Å; L83-Y137 HydrophobicContact CD2-CD1 3.31Å; L83-Y137 HydrophobicContact CD2-CE1 3.7Å; L83-Y137 HydrophobicContact CD2-CG 4.28Å; Y84-Y137 HydrophobicContact CE2-CE1 4.38Å; I106-Y137 HydrophobicContact CD1-CE1 4.36Å; I106-Y137 HydrophobicContact CG1-CD1 4.19Å; I106-Y137 HydrophobicContact CG1-CD2 3.89Å; I106-Y137 HydrophobicContact CG1-CE1 4.06Å; I106-Y137 HydrophobicContact CG1-CE2 3.75Å; I106-Y137 HydrophobicContact CG1-CG 4.09Å; I106-Y137 HydrophobicContact CG2-CD2 3.89Å; I106-Y137 HydrophobicContact CG2-CE2 4.49Å; I106-Y137 HydrophobicContact CG2-CG 4.09Å; V108-Y137 HydrophobicContact CG1-CD2 4.03Å; V108-Y137 HydrophobicContact CG1-CE2 3.87Å; R133-Y137 HydrophobicContact CB-CD2 4.33Å; R133-Y137 HydrophobicContact CB-CE2 4.06Å; R133-Y137 WeakPolarHBondContact O-CB 3.35Å; R133-Y137 WeakPolarHBondContact O-CD2 3.28Å; R133-Y137 VanDerWaalsContact O-CG 3.22Å; R133-Y137 PolarHBondContact O-N 3.37Å; C134-Y137 PolarHBondContact O-N 2.62Å; Y137-D140 CarbonylContact O-C 3.58Å; Y137-D140 PolarHBondContact O-N 3.3Å; Y137-G141 PolarHBondContact O-N 2.88Å; Y137-A142 WeakPolarHBondContact O-CB 3.4Å; Y137-A142 PolarHBondContact O-N 3Å |
| 138 | K | 98.8 | Very high | 98.8 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 173.3 | -175.3 | 66 | 173.5 | -174.3 | 0 | 111.1 | E15 C134 A135 Q136 D140 G141 A142 D143 H180 G181 I182 | E15-K138 VanDerWaalsContact OE1-CE 3.24Å; E15-K138 WeakPolarHBondContact OE1-CE 3.46Å; E15-K138 IonicContact OE1-NZ 2.67Å; E15-K138 PolarHBondContact OE1-NZ 2.88Å; C134-K138 WeakPolarHBondContact O-CB 3.48Å; C134-K138 PolarHBondContact O-N 2.89Å; A135-K138 PolarHBondContact O-N 3.37Å; Q136-K138 VanDerWaalsContact C-N 3.32Å; Q136-K138 PolarHBondContact O-N 3.13Å; K138-D140 VanDerWaalsContact C-N 3.27Å; K138-D140 PolarHBondContact O-N 2.7Å; K138-G141 PolarHBondContact O-N 2.98Å; K138-G141 VanDerWaalsContact O-N 3.12Å; K138-A142 WeakPolarHBondContact CA-O 3.26Å; K138-A142 WeakPolarHBondContact CD-O 3.38Å; K138-D143 IonicContact NZ-OD1 3.98Å; K138-D143 PolarHBondContact NZ-OD1 3.33Å; K138-H180 WeakPolarHBondContact CG-O 3.2Å; K138-G181 WeakPolarHBondContact CE-O 3.31Å; K138-G181 PolarHBondContact NZ-O 2.73Å; K138-I182 HydrophobicContact CB-CD1 4.2Å; K138-I182 HydrophobicContact CB-CG1 4.2Å; K138-I182 HydrophobicContact CD-CG1 4.16Å |
| 139 | K | 98.7 | Very high | 98.8 | Very high | 169 Ų | 169 | 36.6 Ų | 36.6 | 74% | 0.735 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -60.5 | -37.3 | 174.6 | -177.5 | -179.9 | 176 | -177.2 | 0 | 112.3 | A135 Q136 G141 | A135-K139 PolarHBondContact O-N 2.77Å; A135-K139 VanDerWaalsContact O-N 3.14Å; Q136-K139 WeakPolarHBondContact O-CB 3.48Å; Q136-K139 PolarHBondContact O-N 3.36Å; K139-G141 PolarHBondContact O-N 3.39Å |
| 140 | D | 98.8 | Very high | 98.8 | Very high | 48 Ų | 48 | 35.5 Ų | 35.5 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.6 | 179.8 | -60 | -24.3 | 0 | 0 | 0 | 113.2 | L83 Y84 Q136 Y137 K138 | L83-D140 HydrophobicContact CD2-CB 4.33Å; Y84-D140 HydrophobicContact CE1-CB 4.16Å; Y84-D140 VanDerWaalsContact CE1-OD2 3.26Å; Y84-D140 WeakPolarHBondContact CE1-OD2 3.12Å; Y84-D140 PolarHBondContact OH-OD2 3.35Å; Q136-D140 PolarHBondContact NE2-OD1 3.4Å; Q136-D140 PolarHBondContact NE2-OD2 2.99Å; Q136-D140 PolarHBondContact O-N 3.41Å; Y137-D140 CarbonylContact O-C 3.58Å; Y137-D140 PolarHBondContact O-N 3.3Å; K138-D140 VanDerWaalsContact C-N 3.27Å; K138-D140 PolarHBondContact O-N 2.7Å |
| 141 | G | 98.5 | Very high | 98.8 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.1 | 6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K98 V104 Y137 K138 K139 | K98-G141 WeakPolarHBondContact CE-O 3.27Å; K98-G141 PolarHBondContact NZ-O 2.85Å; V104-G141 WeakPolarHBondContact CB-O 3.36Å; Y137-G141 PolarHBondContact O-N 2.88Å; K138-G141 PolarHBondContact O-N 2.98Å; K138-G141 VanDerWaalsContact O-N 3.12Å; K139-G141 PolarHBondContact O-N 3.39Å |
| 142 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -79.7 | 132.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V104 I106 Y137 K138 | V104-A142 HydrophobicContact CG1-CB 4.34Å; V104-A142 WeakPolarHBondContact O-CA 3.42Å; I106-A142 HydrophobicContact CB-CB 4.12Å; I106-A142 HydrophobicContact CG2-CB 3.74Å; Y137-A142 WeakPolarHBondContact O-CB 3.4Å; Y137-A142 PolarHBondContact O-N 3Å; K138-A142 WeakPolarHBondContact CA-O 3.26Å; K138-A142 WeakPolarHBondContact CD-O 3.38Å | ||
| 143 | D | 98.9 | Very high | 98.7 | Very high | 29 Ų | 29 | 28 Ų | 28 | 16% | 0.155 | 14% | 0.137 | C | C | . | . | trans | -114.7 | -11.5 | -177 | -70.1 | -55.4 | 0 | 0 | 0 | 112.2 | I19 K98 V103 V104 K138 I182 V183 | I19-D143 HydrophobicContact CD1-CB 4.08Å; I19-D143 HydrophobicContact CG1-CB 4.45Å; I19-D143 HydrophobicContact CG2-CB 4.1Å; K98-D143 WeakPolarHBondContact CE-OD2 3.4Å; K98-D143 IonicContact NZ-OD2 3.16Å; K98-D143 PolarHBondContact NZ-OD2 3.49Å; V103-D143 HydrophobicContact CG1-CB 3.59Å; V104-D143 PolarHBondContact O-N 2.88Å; K138-D143 IonicContact NZ-OD1 3.98Å; K138-D143 PolarHBondContact NZ-OD1 3.33Å; D143-I182 WeakPolarHBondContact O-CA 3.41Å; D143-V183 PolarHBondContact O-N 3.31Å | ||
| 144 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.1 | 169.9 | 75.2 | -85.3 | 0 | 0 | 0 | 111.9 | I23 I30 I77 V103 V104 G105 I106 I182 V183 I185 | I23-F144 HydrophobicContact CD1-CB 3.84Å; I23-F144 HydrophobicContact CD1-CD1 3.65Å; I23-F144 HydrophobicContact CD1-CD2 4.44Å; I23-F144 HydrophobicContact CD1-CE1 4.23Å; I23-F144 HydrophobicContact CD1-CG 3.75Å; I23-F144 HydrophobicContact CG1-CD1 4.35Å; I30-F144 HydrophobicContact CG2-CZ 4.4Å; I77-F144 HydrophobicContact CD1-CE2 4.3Å; I77-F144 HydrophobicContact CG1-CE2 3.81Å; I77-F144 HydrophobicContact CG1-CZ 4.09Å; V103-F144 HydrophobicContact CB-CD1 4.18Å; V103-F144 HydrophobicContact CB-CE1 4.13Å; V103-F144 HydrophobicContact CG1-CD1 3.62Å; V103-F144 HydrophobicContact CG1-CE1 4.05Å; V103-F144 WeakPolarHBondContact O-CE1 3.45Å; V104-F144 VanDerWaalsContact C-CE1 3.4Å; V104-F144 VanDerWaalsContact O-CD1 3.29Å; V104-F144 WeakPolarHBondContact O-CD1 3.34Å; V104-F144 PolarHBondContact O-N 3.4Å; G105-F144 CarbonylContact C-O 3.54Å; G105-F144 VanDerWaalsContact CA-CD1 3.46Å; G105-F144 VanDerWaalsContact CA-CZ 3.42Å; G105-F144 WeakPolarHBondContact CA-O 3.32Å; I106-F144 PolarHBondContact N-O 3.33Å; F144-I182 VanDerWaalsContact C-CG2 3.48Å; F144-V183 CarbonylContact C-O 3.57Å; F144-V183 WeakPolarHBondContact CA-O 3.4Å; F144-V183 HydrophobicContact CB-CB 3.87Å; F144-V183 HydrophobicContact CB-CG1 4.46Å; F144-V183 VanDerWaalsContact CB-O 3.24Å; F144-V183 WeakPolarHBondContact CB-O 3.36Å; F144-I185 HydrophobicContact CD2-CD1 3.49Å; F144-I185 VanDerWaalsContact CD2-CD1 3.49Å; F144-I185 HydrophobicContact CD2-CG1 3.89Å; F144-I185 HydrophobicContact CE2-CD1 3.48Å; F144-I185 VanDerWaalsContact CE2-CD1 3.48Å; F144-I185 HydrophobicContact CE2-CG1 4.37Å |
| 145 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 166.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I106 V108 Y173 I182 V183 I185 | I106-A145 HydrophobicContact CG2-CB 4.25Å; I106-A145 CarbonylContact O-C 3.58Å; I106-A145 WeakPolarHBondContact O-CA 3.44Å; I106-A145 WeakPolarHBondContact O-CB 3.2Å; V108-A145 HydrophobicContact CG1-CB 4.07Å; V108-A145 HydrophobicContact CG2-CB 4.16Å; A145-Y173 HydrophobicContact CB-CE2 4.07Å; A145-Y173 WeakPolarHBondContact CB-OH 3.42Å; A145-Y173 PolarHBondContact O-OH 3.44Å; A145-I182 HydrophobicContact CB-CG2 3.52Å; A145-V183 PolarHBondContact N-O 3.14Å; A145-I185 VanDerWaalsContact O-CB 3.29Å; A145-I185 WeakPolarHBondContact O-CB 3.23Å; A145-I185 WeakPolarHBondContact O-CG1 3.43Å; A145-I185 PolarHBondContact O-N 3.29Å |
| 146 | K | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.1 | 174 | -163 | -148.1 | 80.3 | 169.8 | 0 | 111 | D34 I77 I106 V108 Y173 I185 E187 | D34-K146 WeakPolarHBondContact OD2-CD 3.36Å; D34-K146 WeakPolarHBondContact OD2-CE 2.92Å; D34-K146 IonicContact OD2-NZ 2.75Å; D34-K146 PolarHBondContact OD2-NZ 3.47Å; I77-K146 HydrophobicContact CD1-CB 4.19Å; I77-K146 HydrophobicContact CD1-CD 3.84Å; I77-K146 HydrophobicContact CD1-CG 4.04Å; I77-K146 HydrophobicContact CG2-CB 3.91Å; I77-K146 HydrophobicContact CG2-CD 4.4Å; I106-K146 PolarHBondContact O-N 3.36Å; V108-K146 PolarHBondContact N-O 3.29Å; K146-Y173 PolarHBondContact N-OH 3.12Å; K146-I185 HydrophobicContact CG-CB 4.4Å; K146-I185 HydrophobicContact CG-CG2 4.46Å; K146-E187 WeakPolarHBondContact CD-OE2 3.1Å; K146-E187 WeakPolarHBondContact CE-OE2 3.12Å; K146-E187 IonicContact NZ-OE2 3.85Å; K146-E187 PolarHBondContact NZ-OE2 3Å |
| 147 | W | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 120.7 | 171.8 | -175.5 | -69.3 | 0 | 0 | 0 | 110.8 | V108 D109 T124 Q125 G126 L127 L130 V169 L170 Y173 I185 E187 | V108-W147 HydrophobicContact CG2-CE3 4.08Å; D109-W147 HydrophobicContact CB-CB 4.39Å; D109-W147 HydrophobicContact CB-CD2 3.46Å; D109-W147 VanDerWaalsContact CB-CD2 3.46Å; D109-W147 HydrophobicContact CB-CE3 3.65Å; D109-W147 HydrophobicContact CB-CG 3.81Å; D109-W147 HydrophobicContact CB-CH2 4.44Å; D109-W147 HydrophobicContact CB-CZ2 4.29Å; D109-W147 HydrophobicContact CB-CZ3 4.14Å; T124-W147 HydrophobicContact CG2-CD2 4.41Å; T124-W147 VanDerWaalsContact CG2-CE2 3.5Å; T124-W147 HydrophobicContact CG2-CZ2 3.72Å; T124-W147 WeakPolarHBondContact O-CZ2 3.34Å; Q125-W147 VanDerWaalsContact C-CH2 3.45Å; Q125-W147 WeakPolarHBondContact O-CH2 3.26Å; Q125-W147 WeakPolarHBondContact O-CZ2 3.24Å; G126-W147 VanDerWaalsContact C-CH2 3.46Å; G126-W147 VanDerWaalsContact CA-CH2 3.49Å; L127-W147 HydrophobicContact CD2-CH2 3.79Å; L127-W147 HydrophobicContact CD2-CZ2 4.46Å; L127-W147 HydrophobicContact CD2-CZ3 4.03Å; L127-W147 HydrophobicContact CG-CH2 3.98Å; L130-W147 HydrophobicContact CD2-CZ3 4.14Å; W147-V169 HydrophobicContact CH2-CG2 4.49Å; W147-V169 HydrophobicContact CZ2-CG2 3.74Å; W147-L170 HydrophobicContact CB-CD2 4.38Å; W147-L170 HydrophobicContact CG-CD2 4.24Å; W147-Y173 HydrophobicContact CB-CD1 3.42Å; W147-Y173 VanDerWaalsContact CB-CD1 3.42Å; W147-Y173 HydrophobicContact CB-CD2 3.76Å; W147-Y173 HydrophobicContact CB-CE1 3.4Å; W147-Y173 HydrophobicContact CB-CE2 3.75Å; W147-Y173 HydrophobicContact CB-CG 3.6Å; W147-Y173 HydrophobicContact CD2-CD1 4.45Å; W147-Y173 HydrophobicContact CD2-CD2 4.04Å; W147-Y173 AromaticContact CD2-CG 3.86Å; W147-Y173 HydrophobicContact CD2-CG 3.86Å; W147-Y173 AromaticContact CE3-CD2 3.5Å; W147-Y173 HydrophobicContact CE3-CD2 3.5Å; W147-Y173 HydrophobicContact CE3-CE2 4.3Å; W147-Y173 AromaticContact CE3-CG 3.74Å; W147-Y173 HydrophobicContact CE3-CG 3.74Å; W147-Y173 AromaticContact CG-CD1 3.96Å; W147-Y173 HydrophobicContact CG-CD1 3.96Å; W147-Y173 HydrophobicContact CG-CD2 4.2Å; W147-Y173 HydrophobicContact CG-CE1 4.4Å; W147-Y173 AromaticContact CG-CG 3.84Å; W147-Y173 HydrophobicContact CG-CG 3.84Å; W147-Y173 HydrophobicContact CZ3-CD2 4.37Å; W147-I185 PolarHBondContact N-O 3.05Å; W147-E187 WeakPolarHBondContact O-CB 3.34Å; W147-E187 PolarHBondContact O-N 3.47Å |
| 148 | R | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 2% | 0.023 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 122.9 | -178.1 | -176.1 | 179.6 | 177.2 | -106.3 | 7.3 | 112.7 | D109 T124 V150 E187 E189 H361 Y363 | D109-R148 PolarHBondContact OD2-N 3.06Å; T124-R148 WeakPolarHBondContact CB-O 3.47Å; T124-R148 WeakPolarHBondContact CG2-O 3.47Å; T124-R148 PolarHBondContact OG1-O 3.15Å; R148-V150 HydrophobicContact CG-CG2 4.32Å; R148-E187 HydrophobicContact CB-CG 4.28Å; R148-E187 WeakPolarHBondContact CB-OE2 3.34Å; R148-E187 HydrophobicContact CG-CG 4.07Å; R148-E189 IonicContact CZ-OE2 2.65Å; R148-E189 IonicContact NE-OE2 2.71Å; R148-E189 PolarHBondContact NE-OE2 2.94Å; R148-E189 IonicContact NH2-OE1 3.07Å; R148-E189 IonicContact NH2-OE2 2.64Å; R148-E189 PolarHBondContact NH2-OE2 3.18Å; R148-H361 PolarHBondContact NH2-O 3.48Å; R148-Y363 VanDerWaalsContact CD-CD2 3.49Å |
| 149 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 154.1 | 162.8 | -78.6 | 0 | 0 | 0 | 0 | 110.4 | T124 N166 L170 E187 E189 | T124-C149 WeakPolarHBondContact OG1-CA 3.16Å; C149-N166 HydrophobicContact CB-CB 3.98Å; C149-N166 WeakPolarHBondContact CB-OD1 3.5Å; C149-N166 PolarHBondContact SG-OD1 2.79Å; C149-L170 HydrophobicContact CB-CD1 4.06Å; C149-L170 HydrophobicContact CB-CD2 4.48Å; C149-L170 HydrophobicContact CB-CG 4.29Å; C149-E187 PolarHBondContact N-O 3.45Å; C149-E189 PolarHBondContact O-N 3.12Å |
| 150 | V | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129 | -175.1 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | V112 T122 R148 E189 L191 | V112-V150 HydrophobicContact CG1-CB 4.17Å; V112-V150 HydrophobicContact CG1-CG2 3.64Å; T122-V150 PolarHBondContact OG1-O 3.03Å; R148-V150 HydrophobicContact CG-CG2 4.32Å; V150-E189 CarbonylContact C-O 3.52Å; V150-E189 WeakPolarHBondContact CA-O 3.27Å; V150-L191 HydrophobicContact CG1-CD1 3.64Å; V150-L191 HydrophobicContact CG1-CD2 4.03Å; V150-L191 HydrophobicContact CG1-CG 3.66Å |
| 151 | L | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.3 | 178.5 | -65.9 | 151.8 | 0 | 0 | 0 | 108.7 | P158 A162 E189 I190 L191 V208 | L151-P158 HydrophobicContact CB-CB 4.43Å; L151-P158 HydrophobicContact CD2-CB 3.87Å; L151-A162 HydrophobicContact CD2-CB 4.08Å; L151-E189 PolarHBondContact N-O 3.2Å; L151-I190 HydrophobicContact CB-CG1 4.1Å; L151-I190 HydrophobicContact CD1-CG1 4.25Å; L151-I190 WeakPolarHBondContact O-CA 3.4Å; L151-L191 PolarHBondContact O-N 3.2Å; L151-V208 HydrophobicContact CD1-CB 4.33Å; L151-V208 HydrophobicContact CD1-CG1 3.49Å; L151-V208 VanDerWaalsContact CD1-CG1 3.49Å; L151-V208 HydrophobicContact CD1-CG2 3.81Å |
| 152 | K | 98.3 | Very high | 98.4 | Very high | 66 Ų | 66 | 33.8 Ų | 33.8 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.1 | -177.4 | -169.9 | 173 | 178.9 | 173.3 | 0 | 111 | T154 T157 P158 N360 | K152-T154 HydrophobicContact CD-CG2 4.28Å; K152-T154 HydrophobicContact CG-CG2 4.17Å; K152-T157 CarbonylContact O-C 3.53Å; K152-T157 VanDerWaalsContact O-CB 3.25Å; K152-T157 WeakPolarHBondContact O-CB 3.33Å; K152-T157 PolarHBondContact O-OG1 2.99Å; K152-P158 WeakPolarHBondContact O-CD 3.4Å; K152-P158 VanDerWaalsContact O-N 3.13Å; K152-N360 PolarHBondContact NZ-OD1 3.36Å |
| 153 | I | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -92.1 | 120.2 | 173.6 | -59.9 | 177 | 0 | 0 | 0 | 108.7 | I190 H196 R200 C201 V204 | I153-I190 HydrophobicContact CD1-CG2 3.68Å; I153-I190 HydrophobicContact CG1-CG2 3.62Å; I153-H196 HydrophobicContact CG2-CB 3.92Å; I153-R200 HydrophobicContact CG2-CG 3.88Å; I153-C201 HydrophobicContact CD1-CB 4.27Å; I153-V204 HydrophobicContact CD1-CB 3.97Å; I153-V204 HydrophobicContact CD1-CG1 4.22Å; I153-V204 HydrophobicContact CD1-CG2 4.11Å; I153-V204 HydrophobicContact CG1-CB 4.21Å; I153-V204 HydrophobicContact CG1-CG1 4.03Å; I153-V204 HydrophobicContact CG1-CG2 4.12Å | ||
| 154 | T | 97.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 39.4 Ų | 39.4 | 27% | 0.27 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -141.5 | -171.2 | 168 | 69.4 | 0 | 0 | 0 | 0 | 108.4 | K152 T156 T157 R200 | K152-T154 HydrophobicContact CD-CG2 4.28Å; K152-T154 HydrophobicContact CG-CG2 4.17Å; T154-T156 PolarHBondContact O-N 2.76Å; T154-T156 PolarHBondContact OG1-N 3.18Å; T154-T157 WeakPolarHBondContact CB-OG1 3.49Å; T154-T157 WeakPolarHBondContact CG2-OG1 3.41Å; T154-T157 PolarHBondContact N-O 3.03Å; T154-T157 VanDerWaalsContact N-O 3.1Å; T154-T157 PolarHBondContact N-OG1 3.15Å; T154-T157 VanDerWaalsContact O-O 3.1Å; T154-T157 WeakPolarHBondContact OG1-CB 3.33Å; T154-T157 WeakPolarHBondContact OG1-CG2 3.35Å; T154-T157 PolarHBondContact OG1-N 2.73Å; T154-T157 VanDerWaalsContact OG1-N 3.1Å; T154-T157 PolarHBondContact OG1-OG1 3.05Å; T154-R200 PolarHBondContact O-NH2 3.02Å |
| 155 | D | 95.2 | Very high | 98.4 | Very high | 164 Ų | 164 | 42.4 Ų | 42.4 | 88% | 0.877 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -60.9 | -29.6 | 173 | -63.4 | -23.5 | 0 | 0 | 0 | 112.7 | ||
| 156 | T | 96.2 | Very high | 98.4 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 58% | 0.577 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -117.9 | -4.5 | -174.8 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | N119 T154 | N119-T156 PolarHBondContact ND2-OG1 3.33Å; T154-T156 PolarHBondContact O-N 2.76Å; T154-T156 PolarHBondContact OG1-N 3.18Å |
| 157 | T | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | trans | -126.4 | 154.5 | -176.2 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | N119 E121 K152 T154 | N119-T157 HydrophobicContact CB-CG2 4.16Å; E121-T157 HydrophobicContact CG-CG2 3.66Å; K152-T157 CarbonylContact O-C 3.53Å; K152-T157 VanDerWaalsContact O-CB 3.25Å; K152-T157 WeakPolarHBondContact O-CB 3.33Å; K152-T157 PolarHBondContact O-OG1 2.99Å; T154-T157 WeakPolarHBondContact CB-OG1 3.49Å; T154-T157 WeakPolarHBondContact CG2-OG1 3.41Å; T154-T157 PolarHBondContact N-O 3.03Å; T154-T157 VanDerWaalsContact N-O 3.1Å; T154-T157 PolarHBondContact N-OG1 3.15Å; T154-T157 VanDerWaalsContact O-O 3.1Å; T154-T157 WeakPolarHBondContact OG1-CB 3.33Å; T154-T157 WeakPolarHBondContact OG1-CG2 3.35Å; T154-T157 PolarHBondContact OG1-N 2.73Å; T154-T157 VanDerWaalsContact OG1-N 3.1Å; T154-T157 PolarHBondContact OG1-OG1 3.05Å | ||
| 158 | P | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | S | Bend | cis | -73.8 | 134.4 | -2.1 | 29.1 | -32.9 | 0 | 0 | 0 | 112.1 | E121 L151 K152 I163 V204 V208 | E121-P158 WeakPolarHBondContact OE1-CA 3.41Å; L151-P158 HydrophobicContact CB-CB 4.43Å; L151-P158 HydrophobicContact CD2-CB 3.87Å; K152-P158 WeakPolarHBondContact O-CD 3.4Å; K152-P158 VanDerWaalsContact O-N 3.13Å; P158-I163 HydrophobicContact CB-CD1 4.34Å; P158-I163 HydrophobicContact CB-CG1 3.97Å; P158-I163 HydrophobicContact CG-CD1 4.12Å; P158-I163 HydrophobicContact CG-CG1 4.18Å; P158-V204 HydrophobicContact CG-CG1 3.47Å; P158-V204 VanDerWaalsContact CG-CG1 3.47Å; P158-V208 HydrophobicContact CG-CG2 4.45Å |
| 159 | S | 98.8 | Very high | 98.4 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | trans | -72 | 162.2 | 176.8 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | E121 L161 A162 I163 | E121-S159 PolarHBondContact OE1-N 2.79Å; E121-S159 WeakPolarHBondContact OE2-CB 3.39Å; E121-S159 PolarHBondContact OE2-OG 3.44Å; S159-L161 PolarHBondContact O-N 3.26Å; S159-A162 PolarHBondContact O-N 3.1Å; S159-A162 PolarHBondContact OG-N 3.1Å; S159-I163 WeakPolarHBondContact O-CG1 3.38Å; S159-I163 PolarHBondContact O-N 3.18Å | ||
| 160 | E | 98.6 | Very high | 98.4 | Very high | 134 Ų | 134 | 45.8 Ų | 45.8 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58.6 | -36.6 | 174.1 | -174.6 | 177.5 | 178.4 | 0 | 0 | 112 | K164 | E160-K164 HydrophobicContact CG-CD 4.08Å; E160-K164 HydrophobicContact CG-CG 4.46Å; E160-K164 WeakPolarHBondContact O-CB 3.19Å; E160-K164 VanDerWaalsContact O-CG 3.32Å; E160-K164 WeakPolarHBondContact O-CG 3.49Å; E160-K164 PolarHBondContact O-N 2.98Å; E160-K164 WeakPolarHBondContact OE1-CE 3.26Å; E160-K164 IonicContact OE1-NZ 2.77Å; E160-K164 PolarHBondContact OE1-NZ 3.39Å |
| 161 | L | 98.8 | Very high | 98.4 | Very high | 92 Ų | 92 | 45.2 Ų | 45.2 | 48% | 0.482 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.7 | -51.4 | 175.8 | 175.7 | 59.4 | 0 | 0 | 0 | 110.9 | T118 S159 I163 K164 E165 | T118-L161 HydrophobicContact CG2-CD2 3.88Å; S159-L161 PolarHBondContact O-N 3.26Å; L161-I163 VanDerWaalsContact C-N 3.34Å; L161-I163 PolarHBondContact O-N 3.12Å; L161-K164 PolarHBondContact O-N 2.9Å; L161-E165 VanDerWaalsContact O-CB 3.27Å; L161-E165 WeakPolarHBondContact O-CB 3.4Å; L161-E165 PolarHBondContact O-N 3.46Å |
| 162 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L115 E121 L151 S159 N166 | L115-A162 HydrophobicContact CD1-CB 4.12Å; E121-A162 HydrophobicContact CB-CB 4.04Å; E121-A162 HydrophobicContact CG-CB 4.37Å; E121-A162 WeakPolarHBondContact OE1-CB 3.37Å; L151-A162 HydrophobicContact CD2-CB 4.08Å; S159-A162 PolarHBondContact O-N 3.1Å; S159-A162 PolarHBondContact OG-N 3.1Å; A162-N166 WeakPolarHBondContact O-CB 3.33Å; A162-N166 PolarHBondContact O-N 3.17Å; A162-N166 VanDerWaalsContact O-N 3.1Å; A162-N166 PolarHBondContact O-ND2 2.82Å |
| 163 | I | 98.9 | Very high | 98.5 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -51.2 | 176.4 | -64.6 | 173.6 | 0 | 0 | 0 | 110.7 | P158 S159 L161 A167 V208 A211 | P158-I163 HydrophobicContact CB-CD1 4.34Å; P158-I163 HydrophobicContact CB-CG1 3.97Å; P158-I163 HydrophobicContact CG-CD1 4.12Å; P158-I163 HydrophobicContact CG-CG1 4.18Å; S159-I163 WeakPolarHBondContact O-CG1 3.38Å; S159-I163 PolarHBondContact O-N 3.18Å; L161-I163 VanDerWaalsContact C-N 3.34Å; L161-I163 PolarHBondContact O-N 3.12Å; I163-A167 VanDerWaalsContact O-CB 3.25Å; I163-A167 WeakPolarHBondContact O-CB 3.39Å; I163-A167 PolarHBondContact O-N 3.36Å; I163-V208 HydrophobicContact CD1-CG2 4.37Å; I163-V208 HydrophobicContact CG1-CG2 4.15Å; I163-A211 HydrophobicContact CG2-CB 3.36Å |
| 164 | K | 98.9 | Very high | 98.5 | Very high | 120 Ų | 120 | 47 Ų | 47 | 52% | 0.522 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.3 | -47 | -177.5 | -76.5 | 178.6 | -178.6 | 173.7 | 0 | 112 | E160 L161 A167 N168 | E160-K164 HydrophobicContact CG-CD 4.08Å; E160-K164 HydrophobicContact CG-CG 4.46Å; E160-K164 WeakPolarHBondContact O-CB 3.19Å; E160-K164 VanDerWaalsContact O-CG 3.32Å; E160-K164 WeakPolarHBondContact O-CG 3.49Å; E160-K164 PolarHBondContact O-N 2.98Å; E160-K164 WeakPolarHBondContact OE1-CE 3.26Å; E160-K164 IonicContact OE1-NZ 2.77Å; E160-K164 PolarHBondContact OE1-NZ 3.39Å; L161-K164 PolarHBondContact O-N 2.9Å; K164-A167 PolarHBondContact O-N 3Å; K164-N168 VanDerWaalsContact O-CB 3.28Å; K164-N168 WeakPolarHBondContact O-CB 3.46Å; K164-N168 PolarHBondContact O-N 2.85Å |
| 165 | E | 98.9 | Very high | 98.5 | Very high | 63 Ų | 63 | 45.7 Ų | 45.7 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.6 | -46.3 | -175.9 | 173.1 | 51.7 | -152.3 | 0 | 0 | 111.5 | L115 T123 L161 A167 N168 V169 | L115-E165 HydrophobicContact CD1-CG 4.49Å; L115-E165 HydrophobicContact CD2-CG 4.06Å; T123-E165 HydrophobicContact CG2-CG 4.18Å; T123-E165 WeakPolarHBondContact OG1-CG 3.37Å; T123-E165 PolarHBondContact OG1-OE1 3.14Å; T123-E165 VanDerWaalsContact OG1-OE1 3.06Å; L161-E165 VanDerWaalsContact O-CB 3.27Å; L161-E165 WeakPolarHBondContact O-CB 3.4Å; L161-E165 PolarHBondContact O-N 3.46Å; E165-A167 PolarHBondContact O-N 3.22Å; E165-N168 PolarHBondContact O-N 2.6Å; E165-V169 PolarHBondContact O-N 3.29Å |
| 166 | N | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 177.2 | -76.3 | -83.7 | 0 | 0 | 0 | 112.4 | T122 C149 A162 V169 L170 | T122-N166 PolarHBondContact O-ND2 3.22Å; C149-N166 HydrophobicContact CB-CB 3.98Å; C149-N166 WeakPolarHBondContact CB-OD1 3.5Å; C149-N166 PolarHBondContact SG-OD1 2.79Å; A162-N166 WeakPolarHBondContact O-CB 3.33Å; A162-N166 PolarHBondContact O-N 3.17Å; A162-N166 VanDerWaalsContact O-N 3.1Å; A162-N166 PolarHBondContact O-ND2 2.82Å; N166-V169 WeakPolarHBondContact O-CG1 3.24Å; N166-L170 WeakPolarHBondContact O-CB 3.43Å; N166-L170 WeakPolarHBondContact O-CD1 3.41Å; N166-L170 VanDerWaalsContact O-CG 3.25Å; N166-L170 WeakPolarHBondContact O-CG 3.28Å; N166-L170 PolarHBondContact O-N 2.87Å; N166-L170 VanDerWaalsContact O-N 3.12Å |
| 167 | A | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I163 K164 E165 A171 A211 V212 A215 | I163-A167 VanDerWaalsContact O-CB 3.25Å; I163-A167 WeakPolarHBondContact O-CB 3.39Å; I163-A167 PolarHBondContact O-N 3.36Å; K164-A167 PolarHBondContact O-N 3Å; E165-A167 PolarHBondContact O-N 3.22Å; A167-A171 PolarHBondContact O-N 2.89Å; A167-A171 VanDerWaalsContact O-N 3.11Å; A167-A211 HydrophobicContact CB-CB 4.23Å; A167-V212 HydrophobicContact CB-CG2 4.2Å; A167-A215 HydrophobicContact CB-CB 3.9Å; A167-A215 WeakPolarHBondContact O-CB 3.32Å |
| 168 | N | 98.9 | Very high | 98.9 | Very high | 67 Ų | 67 | 33.9 Ų | 33.9 | 36% | 0.358 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.4 | -45.2 | -179.9 | -175.5 | 66.6 | 0 | 0 | 0 | 112.3 | K164 E165 L170 A171 R172 H219 | K164-N168 VanDerWaalsContact O-CB 3.28Å; K164-N168 WeakPolarHBondContact O-CB 3.46Å; K164-N168 PolarHBondContact O-N 2.85Å; E165-N168 PolarHBondContact O-N 2.6Å; N168-L170 VanDerWaalsContact C-N 3.35Å; N168-L170 PolarHBondContact O-N 2.92Å; N168-A171 PolarHBondContact O-N 2.92Å; N168-R172 WeakPolarHBondContact O-CG 3.37Å; N168-R172 PolarHBondContact O-N 2.81Å; N168-H219 PolarHBondContact OD1-CE1 3.14Å; N168-H219 PolarHBondContact OD1-NE2 3.39Å |
| 169 | V | 98.9 | Very high | 98.9 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.6 | -36.7 | 179.3 | 76 | 0 | 0 | 0 | 0 | 112 | L127 W147 E165 N166 A171 R172 Y173 | L127-V169 HydrophobicContact CD1-CG2 3.9Å; L127-V169 HydrophobicContact CD2-CG2 4.41Å; L127-V169 HydrophobicContact CG-CG2 4.08Å; W147-V169 HydrophobicContact CH2-CG2 4.49Å; W147-V169 HydrophobicContact CZ2-CG2 3.74Å; E165-V169 PolarHBondContact O-N 3.29Å; N166-V169 WeakPolarHBondContact O-CG1 3.24Å; V169-A171 VanDerWaalsContact C-N 3.32Å; V169-A171 PolarHBondContact O-N 2.93Å; V169-R172 PolarHBondContact O-N 2.79Å; V169-Y173 WeakPolarHBondContact O-CB 3.44Å; V169-Y173 PolarHBondContact O-N 2.88Å |
| 170 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 172.9 | -77.1 | 168.5 | 0 | 0 | 0 | 111.7 | W147 C149 N166 N168 Y173 A174 V186 P188 V212 | W147-L170 HydrophobicContact CB-CD2 4.38Å; W147-L170 HydrophobicContact CG-CD2 4.24Å; C149-L170 HydrophobicContact CB-CD1 4.06Å; C149-L170 HydrophobicContact CB-CD2 4.48Å; C149-L170 HydrophobicContact CB-CG 4.29Å; N166-L170 WeakPolarHBondContact O-CB 3.43Å; N166-L170 WeakPolarHBondContact O-CD1 3.41Å; N166-L170 VanDerWaalsContact O-CG 3.25Å; N166-L170 WeakPolarHBondContact O-CG 3.28Å; N166-L170 PolarHBondContact O-N 2.87Å; N166-L170 VanDerWaalsContact O-N 3.12Å; N168-L170 VanDerWaalsContact C-N 3.35Å; N168-L170 PolarHBondContact O-N 2.92Å; L170-Y173 WeakPolarHBondContact O-CD1 3.49Å; L170-Y173 PolarHBondContact O-N 3.47Å; L170-A174 VanDerWaalsContact O-CB 3.31Å; L170-A174 WeakPolarHBondContact O-CB 3.45Å; L170-A174 PolarHBondContact O-N 2.91Å; L170-V186 HydrophobicContact CB-CG1 4.13Å; L170-V186 HydrophobicContact CD1-CG1 3.92Å; L170-V186 HydrophobicContact CD2-CG1 4.06Å; L170-V186 HydrophobicContact CG-CG1 4.26Å; L170-P188 HydrophobicContact CD1-CB 3.87Å; L170-V212 HydrophobicContact CD1-CG2 4.29Å |
| 171 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A167 N168 V169 A174 S175 A215 L216 H219 | A167-A171 PolarHBondContact O-N 2.89Å; A167-A171 VanDerWaalsContact O-N 3.11Å; N168-A171 PolarHBondContact O-N 2.92Å; V169-A171 VanDerWaalsContact C-N 3.32Å; V169-A171 PolarHBondContact O-N 2.93Å; A171-A174 PolarHBondContact O-N 2.87Å; A171-S175 WeakPolarHBondContact O-CB 3.22Å; A171-S175 PolarHBondContact O-N 3.24Å; A171-A215 HydrophobicContact CB-CB 3.93Å; A171-A215 WeakPolarHBondContact CB-O 3.38Å; A171-L216 HydrophobicContact CB-CD2 4.05Å; A171-H219 HydrophobicContact CB-CB 3.9Å |
| 172 | R | 98.9 | Very high | 98.8 | Very high | 114 Ų | 114 | 25.7 Ų | 25.7 | 43% | 0.43 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 172 | -71 | -70.6 | -63.8 | 161.3 | -2.2 | 111.8 | L127 N168 V169 I176 H219 | L127-R172 HydrophobicContact CD1-CB 3.71Å; L127-R172 HydrophobicContact CD1-CG 4.24Å; L127-R172 HydrophobicContact CD2-CB 4.09Å; N168-R172 WeakPolarHBondContact O-CG 3.37Å; N168-R172 PolarHBondContact O-N 2.81Å; V169-R172 PolarHBondContact O-N 2.79Å; R172-I176 WeakPolarHBondContact O-CG1 3.38Å; R172-I176 PolarHBondContact O-N 3.45Å; R172-I176 VanDerWaalsContact O-N 3.14Å; R172-H219 WeakPolarHBondContact CD-CE1 3.43Å; R172-H219 WeakPolarHBondContact CD-ND1 3.16Å |
| 173 | Y | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 175.8 | 148.6 | -104.1 | 0 | 0 | 0 | 111.6 | V108 L130 A145 K146 W147 V169 L170 I176 C177 P184 I185 | V108-Y173 HydrophobicContact CG2-CD2 3.76Å; V108-Y173 HydrophobicContact CG2-CE2 3.34Å; L130-Y173 HydrophobicContact CD2-CD2 4Å; A145-Y173 HydrophobicContact CB-CE2 4.07Å; A145-Y173 WeakPolarHBondContact CB-OH 3.42Å; A145-Y173 PolarHBondContact O-OH 3.44Å; K146-Y173 PolarHBondContact N-OH 3.12Å; W147-Y173 HydrophobicContact CB-CD1 3.42Å; W147-Y173 VanDerWaalsContact CB-CD1 3.42Å; W147-Y173 HydrophobicContact CB-CD2 3.76Å; W147-Y173 HydrophobicContact CB-CE1 3.4Å; W147-Y173 HydrophobicContact CB-CE2 3.75Å; W147-Y173 HydrophobicContact CB-CG 3.6Å; W147-Y173 HydrophobicContact CD2-CD1 4.45Å; W147-Y173 HydrophobicContact CD2-CD2 4.04Å; W147-Y173 AromaticContact CD2-CG 3.86Å; W147-Y173 HydrophobicContact CD2-CG 3.86Å; W147-Y173 AromaticContact CE3-CD2 3.5Å; W147-Y173 HydrophobicContact CE3-CD2 3.5Å; W147-Y173 HydrophobicContact CE3-CE2 4.3Å; W147-Y173 AromaticContact CE3-CG 3.74Å; W147-Y173 HydrophobicContact CE3-CG 3.74Å; W147-Y173 AromaticContact CG-CD1 3.96Å; W147-Y173 HydrophobicContact CG-CD1 3.96Å; W147-Y173 HydrophobicContact CG-CD2 4.2Å; W147-Y173 HydrophobicContact CG-CE1 4.4Å; W147-Y173 AromaticContact CG-CG 3.84Å; W147-Y173 HydrophobicContact CG-CG 3.84Å; W147-Y173 HydrophobicContact CZ3-CD2 4.37Å; V169-Y173 WeakPolarHBondContact O-CB 3.44Å; V169-Y173 PolarHBondContact O-N 2.88Å; L170-Y173 WeakPolarHBondContact O-CD1 3.49Å; L170-Y173 PolarHBondContact O-N 3.47Å; Y173-I176 PolarHBondContact O-N 2.79Å; Y173-C177 VanDerWaalsContact CD2-SG 3.57Å; Y173-C177 WeakPolarHBondContact CE2-SG 3.01Å; Y173-C177 PolarHBondContact O-N 2.88Å; Y173-C177 PolarHBondContact O-SG 3.4Å; Y173-P184 HydrophobicContact CD1-CB 4.36Å; Y173-P184 HydrophobicContact CE1-CB 3.55Å; Y173-P184 VanDerWaalsContact OH-CA 3.32Å; Y173-P184 WeakPolarHBondContact OH-CA 3.39Å; Y173-I185 PolarHBondContact OH-N 3.38Å |
| 174 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64 | -44 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L170 A171 I176 C177 Q178 P184 V186 L216 V221 | L170-A174 VanDerWaalsContact O-CB 3.31Å; L170-A174 WeakPolarHBondContact O-CB 3.45Å; L170-A174 PolarHBondContact O-N 2.91Å; A171-A174 PolarHBondContact O-N 2.87Å; A174-I176 PolarHBondContact O-N 3.18Å; A174-C177 PolarHBondContact O-N 2.89Å; A174-Q178 WeakPolarHBondContact O-CG 3.1Å; A174-Q178 PolarHBondContact O-N 2.97Å; A174-Q178 VanDerWaalsContact O-N 3.09Å; A174-P184 HydrophobicContact CB-CB 3.86Å; A174-P184 HydrophobicContact CB-CG 3.65Å; A174-V186 HydrophobicContact CB-CG2 4.43Å; A174-L216 HydrophobicContact CB-CD2 4.08Å; A174-V221 HydrophobicContact CB-CG1 4.04Å; A174-V221 HydrophobicContact CB-CG2 3.92Å |
| 175 | S | 98.8 | Very high | 98.9 | Very high | 18 Ų | 18 | 18.6 Ų | 18.6 | 13% | 0.126 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | A171 C177 Q178 M179 | A171-S175 WeakPolarHBondContact O-CB 3.22Å; A171-S175 PolarHBondContact O-N 3.24Å; S175-C177 PolarHBondContact O-N 3.45Å; S175-Q178 PolarHBondContact O-N 2.97Å; S175-M179 PolarHBondContact O-N 3.41Å |
| 176 | I | 98.9 | Very high | 98.9 | Very high | 13 Ų | 13 | 15.6 Ų | 15.6 | 7% | 0.067 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 178.6 | -66.3 | 165.8 | 0 | 0 | 0 | 112.2 | L127 L130 R172 Y173 A174 Q178 M179 | L127-I176 HydrophobicContact CD2-CD1 4.33Å; L130-I176 HydrophobicContact CB-CD1 4.48Å; L130-I176 HydrophobicContact CB-CG2 4.21Å; L130-I176 HydrophobicContact CD2-CB 4.1Å; L130-I176 HydrophobicContact CD2-CD1 4.1Å; L130-I176 HydrophobicContact CD2-CG2 3.99Å; L130-I176 HydrophobicContact CG-CB 4.42Å; L130-I176 HydrophobicContact CG-CG2 3.76Å; R172-I176 WeakPolarHBondContact O-CG1 3.38Å; R172-I176 PolarHBondContact O-N 3.45Å; R172-I176 VanDerWaalsContact O-N 3.14Å; Y173-I176 PolarHBondContact O-N 2.79Å; A174-I176 PolarHBondContact O-N 3.18Å; I176-Q178 PolarHBondContact O-N 3.22Å; I176-M179 HydrophobicContact CB-CE 4.22Å; I176-M179 HydrophobicContact CG1-CE 3.91Å; I176-M179 PolarHBondContact O-N 3.28Å |
| 177 | C | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 177.2 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | Y173 A174 S175 M179 H180 G181 I182 P184 | Y173-C177 VanDerWaalsContact CD2-SG 3.57Å; Y173-C177 WeakPolarHBondContact CE2-SG 3.01Å; Y173-C177 PolarHBondContact O-N 2.88Å; Y173-C177 PolarHBondContact O-SG 3.4Å; A174-C177 PolarHBondContact O-N 2.89Å; S175-C177 PolarHBondContact O-N 3.45Å; C177-M179 VanDerWaalsContact C-N 3.3Å; C177-M179 PolarHBondContact O-N 3.21Å; C177-H180 CarbonylContact O-C 3.48Å; C177-H180 PolarHBondContact O-N 3.28Å; C177-G181 PolarHBondContact O-N 2.96Å; C177-I182 CarbonylContact C-O 3.6Å; C177-I182 HydrophobicContact CB-CB 4.15Å; C177-I182 HydrophobicContact CB-CG2 4.04Å; C177-I182 WeakPolarHBondContact CB-O 3.41Å; C177-I182 PolarHBondContact O-N 3.03Å; C177-P184 HydrophobicContact CB-CB 3.98Å; C177-P184 HydrophobicContact CB-CG 4.33Å |
| 178 | Q | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.3 | -32.9 | -177.3 | -70.7 | -171.1 | -25.5 | 0 | 0 | 112.8 | F7 L8 L16 A174 S175 I176 H180 G181 P184 Y222 G225 | F7-Q178 HydrophobicContact CE2-CB 4.12Å; L8-Q178 HydrophobicContact CD1-CB 4.26Å; L8-Q178 HydrophobicContact CD2-CB 4.31Å; L8-Q178 WeakPolarHBondContact CD2-O 3.15Å; L16-Q178 HydrophobicContact CD1-CB 3.89Å; L16-Q178 HydrophobicContact CD1-CG 3.88Å; L16-Q178 HydrophobicContact CD2-CG 4.43Å; A174-Q178 WeakPolarHBondContact O-CG 3.1Å; A174-Q178 PolarHBondContact O-N 2.97Å; A174-Q178 VanDerWaalsContact O-N 3.09Å; S175-Q178 PolarHBondContact O-N 2.97Å; I176-Q178 PolarHBondContact O-N 3.22Å; Q178-H180 PolarHBondContact O-N 3.16Å; Q178-H180 VanDerWaalsContact O-N 3.12Å; Q178-G181 PolarHBondContact O-N 2.87Å; Q178-P184 HydrophobicContact CG-CG 4.22Å; Q178-Y222 PolarHBondContact NE2-O 3.32Å; Q178-G225 PolarHBondContact NE2-O 3.38Å; Q178-G225 VanDerWaalsContact NE2-O 3.1Å |
| 179 | M | 98.3 | Very high | 98.8 | Very high | 66 Ų | 66 | 12.8 Ų | 12.8 | 33% | 0.325 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -59.5 | -21.6 | 173.7 | -71 | -169.8 | -69.2 | 0 | 0 | 113.5 | F7 Y131 S175 I176 C177 | F7-M179 HydrophobicContact CD2-CG 3.89Å; F7-M179 HydrophobicContact CE2-CG 4.25Å; Y131-M179 HydrophobicContact CD2-CE 3.71Å; Y131-M179 HydrophobicContact CE2-CB 4.42Å; Y131-M179 HydrophobicContact CE2-CE 3.82Å; Y131-M179 HydrophobicContact CE2-SD 4.09Å; S175-M179 PolarHBondContact O-N 3.41Å; I176-M179 HydrophobicContact CB-CE 4.22Å; I176-M179 HydrophobicContact CG1-CE 3.91Å; I176-M179 PolarHBondContact O-N 3.28Å; C177-M179 VanDerWaalsContact C-N 3.3Å; C177-M179 PolarHBondContact O-N 3.21Å |
| 180 | H | 98.4 | Very high | 98.8 | Very high | 33 Ų | 33 | 12.7 Ų | 12.7 | 15% | 0.153 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 20.7 | -179.7 | -68 | -59.6 | 0 | 0 | 0 | 113.7 | Y131 C134 K138 C177 Q178 I182 | Y131-H180 AromaticContact CD1-CE1 3.98Å; Y131-H180 AromaticContact CD1-NE2 3.43Å; Y131-H180 WeakPolarHBondContact CD1-NE2 3.38Å; Y131-H180 AromaticContact CD2-NE2 3.18Å; Y131-H180 WeakPolarHBondContact CD2-NE2 3.5Å; Y131-H180 AromaticContact CE1-CE1 3.53Å; Y131-H180 AromaticContact CE1-NE2 3.39Å; Y131-H180 WeakPolarHBondContact CE1-NE2 3.33Å; Y131-H180 AromaticContact CE2-CE1 3.7Å; Y131-H180 AromaticContact CE2-NE2 3.16Å; Y131-H180 WeakPolarHBondContact CE2-NE2 3.29Å; Y131-H180 AromaticContact CG-NE2 3.31Å; Y131-H180 VanDerWaalsContact CG-NE2 3.31Å; Y131-H180 AromaticContact CZ-CE1 3.35Å; Y131-H180 AromaticContact CZ-NE2 3.25Å; Y131-H180 PolarHBondContact O-CD2 2.73Å; Y131-H180 VanDerWaalsContact O-CD2 3.24Å; Y131-H180 PolarHBondContact O-NE2 3.24Å; Y131-H180 VanDerWaalsContact O-NE2 3.1Å; C134-H180 HydrophobicContact CB-CB 3.95Å; K138-H180 WeakPolarHBondContact CG-O 3.2Å; C177-H180 CarbonylContact O-C 3.48Å; C177-H180 PolarHBondContact O-N 3.28Å; Q178-H180 PolarHBondContact O-N 3.16Å; Q178-H180 VanDerWaalsContact O-N 3.12Å; H180-I182 PolarHBondContact O-N 3.24Å |
| 181 | G | 98.6 | Very high | 98.8 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 4% | 0.041 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 26 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K138 C177 Q178 | K138-G181 WeakPolarHBondContact CE-O 3.31Å; K138-G181 PolarHBondContact NZ-O 2.73Å; C177-G181 PolarHBondContact O-N 2.96Å; Q178-G181 PolarHBondContact O-N 2.87Å |
| 182 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -105.4 | 125.1 | 175.2 | -68.8 | -168.7 | 0 | 0 | 0 | 108.8 | C134 K138 D143 F144 A145 C177 H180 P184 | C134-I182 HydrophobicContact CB-CD1 4.15Å; C134-I182 WeakPolarHBondContact O-CD1 3.38Å; K138-I182 HydrophobicContact CB-CD1 4.2Å; K138-I182 HydrophobicContact CB-CG1 4.2Å; K138-I182 HydrophobicContact CD-CG1 4.16Å; D143-I182 WeakPolarHBondContact O-CA 3.41Å; F144-I182 VanDerWaalsContact C-CG2 3.48Å; A145-I182 HydrophobicContact CB-CG2 3.52Å; C177-I182 CarbonylContact C-O 3.6Å; C177-I182 HydrophobicContact CB-CB 4.15Å; C177-I182 HydrophobicContact CB-CG2 4.04Å; C177-I182 WeakPolarHBondContact CB-O 3.41Å; C177-I182 PolarHBondContact O-N 3.03Å; H180-I182 PolarHBondContact O-N 3.24Å; I182-P184 WeakPolarHBondContact O-CD 3.46Å | ||
| 183 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 120.4 | 174 | 173 | 0 | 0 | 0 | 0 | 109.9 | L16 I19 A20 D143 F144 A145 L227 | L16-V183 HydrophobicContact CB-CG2 4.32Å; L16-V183 HydrophobicContact CD2-CG2 3.9Å; L16-V183 WeakPolarHBondContact O-CG2 3.32Å; I19-V183 HydrophobicContact CB-CG2 3.74Å; I19-V183 HydrophobicContact CG2-CB 4.23Å; I19-V183 HydrophobicContact CG2-CG2 3.57Å; A20-V183 HydrophobicContact CB-CG1 4.02Å; A20-V183 HydrophobicContact CB-CG2 4.3Å; D143-V183 PolarHBondContact O-N 3.31Å; F144-V183 CarbonylContact C-O 3.57Å; F144-V183 WeakPolarHBondContact CA-O 3.4Å; F144-V183 HydrophobicContact CB-CB 3.87Å; F144-V183 HydrophobicContact CB-CG1 4.46Å; F144-V183 VanDerWaalsContact CB-O 3.24Å; F144-V183 WeakPolarHBondContact CB-O 3.36Å; A145-V183 PolarHBondContact N-O 3.14Å; V183-L227 HydrophobicContact CG1-CG 4.45Å |
| 184 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.9 | 176.1 | 31.4 | -32.3 | 0 | 0 | 0 | 111.9 | Y173 A174 C177 Q178 I182 G225 T226 L227 | Y173-P184 HydrophobicContact CD1-CB 4.36Å; Y173-P184 HydrophobicContact CE1-CB 3.55Å; Y173-P184 VanDerWaalsContact OH-CA 3.32Å; Y173-P184 WeakPolarHBondContact OH-CA 3.39Å; A174-P184 HydrophobicContact CB-CB 3.86Å; A174-P184 HydrophobicContact CB-CG 3.65Å; C177-P184 HydrophobicContact CB-CB 3.98Å; C177-P184 HydrophobicContact CB-CG 4.33Å; Q178-P184 HydrophobicContact CG-CG 4.22Å; I182-P184 WeakPolarHBondContact O-CD 3.46Å; P184-G225 WeakPolarHBondContact CD-O 3.3Å; P184-T226 HydrophobicContact CG-CG2 3.96Å; P184-L227 PolarHBondContact O-N 3.49Å; P184-L227 VanDerWaalsContact O-N 3.1Å |
| 185 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 112.8 | 162 | -57.7 | -172.9 | 0 | 0 | 0 | 108 | I30 I77 F144 A145 K146 W147 Y173 L227 K229 | I30-I185 HydrophobicContact CD1-CD1 3.57Å; I77-I185 HydrophobicContact CD1-CD1 4.31Å; F144-I185 HydrophobicContact CD2-CD1 3.49Å; F144-I185 VanDerWaalsContact CD2-CD1 3.49Å; F144-I185 HydrophobicContact CD2-CG1 3.89Å; F144-I185 HydrophobicContact CE2-CD1 3.48Å; F144-I185 VanDerWaalsContact CE2-CD1 3.48Å; F144-I185 HydrophobicContact CE2-CG1 4.37Å; A145-I185 VanDerWaalsContact O-CB 3.29Å; A145-I185 WeakPolarHBondContact O-CB 3.23Å; A145-I185 WeakPolarHBondContact O-CG1 3.43Å; A145-I185 PolarHBondContact O-N 3.29Å; K146-I185 HydrophobicContact CG-CB 4.4Å; K146-I185 HydrophobicContact CG-CG2 4.46Å; W147-I185 PolarHBondContact N-O 3.05Å; Y173-I185 PolarHBondContact OH-N 3.38Å; I185-L227 WeakPolarHBondContact CA-O 3.4Å; I185-L227 HydrophobicContact CD1-CD1 4.44Å; I185-L227 HydrophobicContact CG1-CB 4.18Å; I185-L227 HydrophobicContact CG1-CD1 4.33Å; I185-K229 HydrophobicContact CG2-CB 3.45Å; I185-K229 VanDerWaalsContact CG2-CB 3.45Å; I185-K229 HydrophobicContact CG2-CD 4.17Å; I185-K229 HydrophobicContact CG2-CG 4.45Å |
| 186 | V | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 110.2 | 179.7 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | L170 A174 P188 V212 L216 L227 L228 K229 | L170-V186 HydrophobicContact CB-CG1 4.13Å; L170-V186 HydrophobicContact CD1-CG1 3.92Å; L170-V186 HydrophobicContact CD2-CG1 4.06Å; L170-V186 HydrophobicContact CG-CG1 4.26Å; A174-V186 HydrophobicContact CB-CG2 4.43Å; V186-P188 WeakPolarHBondContact O-CD 3.45Å; V186-V212 HydrophobicContact CG1-CG1 3.82Å; V186-L216 HydrophobicContact CG2-CD1 4.44Å; V186-L216 HydrophobicContact CG2-CD2 4.33Å; V186-L227 PolarHBondContact N-O 2.93Å; V186-L228 HydrophobicContact CB-CD1 4.37Å; V186-L228 HydrophobicContact CG1-CD1 4.31Å; V186-K229 PolarHBondContact O-N 2.85Å |
| 187 | E | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 85.2 | -175.3 | -179.7 | 175 | -153.6 | 0 | 0 | 111.9 | K146 W147 R148 C149 E189 K229 L270 | K146-E187 WeakPolarHBondContact CD-OE2 3.1Å; K146-E187 WeakPolarHBondContact CE-OE2 3.12Å; K146-E187 IonicContact NZ-OE2 3.85Å; K146-E187 PolarHBondContact NZ-OE2 3Å; W147-E187 WeakPolarHBondContact O-CB 3.34Å; W147-E187 PolarHBondContact O-N 3.47Å; R148-E187 HydrophobicContact CB-CG 4.28Å; R148-E187 WeakPolarHBondContact CB-OE2 3.34Å; R148-E187 HydrophobicContact CG-CG 4.07Å; C149-E187 PolarHBondContact N-O 3.45Å; E187-E189 PolarHBondContact O-N 3.18Å; E187-K229 WeakPolarHBondContact CA-O 3.46Å; E187-K229 HydrophobicContact CB-CB 3.98Å; E187-K229 HydrophobicContact CB-CD 4.37Å; E187-K229 HydrophobicContact CB-CG 4.18Å; E187-K229 HydrophobicContact CG-CB 4.2Å; E187-K229 HydrophobicContact CG-CD 4.07Å; E187-K229 HydrophobicContact CG-CG 3.85Å; E187-K229 WeakPolarHBondContact OE1-CD 3.32Å; E187-K229 WeakPolarHBondContact OE1-CE 3.46Å; E187-K229 IonicContact OE1-NZ 2.73Å; E187-L270 HydrophobicContact CG-CD2 4.18Å |
| 188 | P | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.013 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 75.5 | 172.1 | 35.3 | -32.3 | 0 | 0 | 0 | 110.2 | L170 V186 I190 V208 L209 V212 L228 | L170-P188 HydrophobicContact CD1-CB 3.87Å; V186-P188 WeakPolarHBondContact O-CD 3.45Å; P188-I190 PolarHBondContact O-N 3.22Å; P188-V208 HydrophobicContact CB-CG1 4.08Å; P188-L209 HydrophobicContact CG-CD2 3.92Å; P188-V212 HydrophobicContact CB-CG2 4.03Å; P188-V212 HydrophobicContact CG-CG2 4.21Å; P188-L228 HydrophobicContact CG-CD1 4.21Å |
| 189 | E | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 120.8 | -177 | -178.3 | 174.4 | -179.6 | 0 | 0 | 111.4 | R148 C149 V150 L151 E187 L191 L270 | R148-E189 IonicContact CZ-OE2 2.65Å; R148-E189 IonicContact NE-OE2 2.71Å; R148-E189 PolarHBondContact NE-OE2 2.94Å; R148-E189 IonicContact NH2-OE1 3.07Å; R148-E189 IonicContact NH2-OE2 2.64Å; R148-E189 PolarHBondContact NH2-OE2 3.18Å; C149-E189 PolarHBondContact O-N 3.12Å; V150-E189 CarbonylContact C-O 3.52Å; V150-E189 WeakPolarHBondContact CA-O 3.27Å; L151-E189 PolarHBondContact N-O 3.2Å; E187-E189 PolarHBondContact O-N 3.18Å; E189-L191 HydrophobicContact CG-CD2 4.35Å; E189-L270 HydrophobicContact CB-CD2 3.64Å; E189-L270 HydrophobicContact CG-CD1 4.11Å; E189-L270 HydrophobicContact CG-CD2 3.59Å |
| 190 | I | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.7 | 164.5 | -57.7 | 155.9 | 0 | 0 | 0 | 108.1 | L151 I153 P188 V204 V208 N231 | L151-I190 HydrophobicContact CB-CG1 4.1Å; L151-I190 HydrophobicContact CD1-CG1 4.25Å; L151-I190 WeakPolarHBondContact O-CA 3.4Å; I153-I190 HydrophobicContact CD1-CG2 3.68Å; I153-I190 HydrophobicContact CG1-CG2 3.62Å; P188-I190 PolarHBondContact O-N 3.22Å; I190-V204 HydrophobicContact CD1-CG1 4.03Å; I190-V204 HydrophobicContact CG2-CG1 4.34Å; I190-V208 HydrophobicContact CD1-CB 4.04Å; I190-V208 HydrophobicContact CD1-CG1 4.32Å; I190-V208 HydrophobicContact CD1-CG2 3.94Å; I190-V208 HydrophobicContact CG1-CG2 4.29Å; I190-N231 WeakPolarHBondContact CB-OD1 3.11Å; I190-N231 PolarHBondContact N-OD1 3.35Å |
| 191 | L | 97.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 26 Ų | 26 | 6% | 0.058 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 142.8 | -176.7 | -67.2 | 179.2 | 0 | 0 | 0 | 111.8 | V150 L151 E189 D193 | V150-L191 HydrophobicContact CG1-CD1 3.64Å; V150-L191 HydrophobicContact CG1-CD2 4.03Å; V150-L191 HydrophobicContact CG1-CG 3.66Å; L151-L191 PolarHBondContact O-N 3.2Å; E189-L191 HydrophobicContact CG-CD2 4.35Å; L191-D193 HydrophobicContact CB-CB 4.45Å; L191-D193 PolarHBondContact O-N 3.47Å |
| 192 | P | 96.9 | Very high | 98.5 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 16% | 0.162 | 14% | 0.139 | C | C | . | . | trans | -78.4 | -0.7 | 175 | 34.5 | -35.8 | 0 | 0 | 0 | 112.8 | G194 G236 H237 Y357 | P192-G194 PolarHBondContact O-N 3.5Å; P192-G236 CarbonylContact O-C 3.17Å; P192-G236 VanDerWaalsContact O-CA 3.24Å; P192-G236 WeakPolarHBondContact O-CA 3.38Å; P192-H237 PolarHBondContact O-N 3.47Å; P192-Y357 HydrophobicContact CG-CD2 4.24Å; P192-Y357 HydrophobicContact CG-CE2 4.15Å | ||
| 193 | D | 97.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | trans | -54.8 | 131.8 | 177.3 | -65.7 | -123.9 | 0 | 0 | 0 | 111.8 | L191 H196 Y357 N360 | L191-D193 HydrophobicContact CB-CB 4.45Å; L191-D193 PolarHBondContact O-N 3.47Å; D193-H196 PolarHBondContact O-CE1 3.34Å; D193-H196 VanDerWaalsContact O-CE1 3.28Å; D193-H196 PolarHBondContact O-ND1 3.47Å; D193-Y357 PolarHBondContact OD1-OH 3.18Å; D193-N360 PolarHBondContact OD1-N 3.1Å; D193-N360 PolarHBondContact OD1-OD1 2.66Å | ||
| 194 | G | 96.7 | Very high | 98.5 | Very high | 28 Ų | 28 | 33.2 Ų | 33.2 | 29% | 0.289 | 16% | 0.162 | S | C | . | . | S | Bend | trans | 117.6 | -178.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | P192 G236 H237 S238 | P192-G194 PolarHBondContact O-N 3.5Å; G194-G236 CarbonylContact O-C 3.47Å; G194-G236 WeakPolarHBondContact O-CA 3.26Å; G194-H237 PolarHBondContact O-N 2.89Å; G194-H237 VanDerWaalsContact O-N 3.15Å; G194-S238 WeakPolarHBondContact O-CB 3.22Å; G194-S238 PolarHBondContact O-N 3.31Å |
| 195 | D | 97.9 | Very high | 98.5 | Very high | 123 Ų | 123 | 33.4 Ų | 33.4 | 66% | 0.658 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -106.1 | 5.6 | -177.7 | 63 | -15.1 | 0 | 0 | 0 | 113.5 | ||
| 196 | H | 98.6 | Very high | 98.5 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | trans | -57.5 | 147 | -179.4 | 59.7 | -95.9 | 0 | 0 | 0 | 112.6 | I153 D193 R200 G236 | I153-H196 HydrophobicContact CG2-CB 3.92Å; D193-H196 PolarHBondContact O-CE1 3.34Å; D193-H196 VanDerWaalsContact O-CE1 3.28Å; D193-H196 PolarHBondContact O-ND1 3.47Å; H196-R200 HydrophobicContact CB-CB 4.13Å; H196-R200 HydrophobicContact CB-CG 3.84Å; H196-G236 WeakPolarHBondContact NE2-CA 3.4Å; H196-G236 PolarHBondContact NE2-N 2.93Å; H196-G236 PolarHBondContact O-N 3.12Å | ||
| 197 | D | 98.5 | Very high | 98.5 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | trans | -80.5 | 173.1 | -178.7 | 81.7 | -9.3 | 0 | 0 | 0 | 112.8 | K199 R200 C201 | D197-K199 VanDerWaalsContact C-N 3.26Å; D197-K199 PolarHBondContact O-N 2.54Å; D197-K199 PolarHBondContact OD1-N 3.43Å; D197-R200 PolarHBondContact O-N 2.9Å; D197-R200 VanDerWaalsContact OD1-CB 3.25Å; D197-R200 WeakPolarHBondContact OD1-CB 3.29Å; D197-R200 PolarHBondContact OD1-N 3.06Å; D197-C201 PolarHBondContact O-N 2.88Å | ||
| 198 | L | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -36.9 | -179.5 | -177.5 | 66.3 | 0 | 0 | 0 | 112 | C201 Q202 V233 Y243 E247 I248 A251 | L198-C201 PolarHBondContact O-N 2.83Å; L198-Q202 PolarHBondContact O-N 2.99Å; L198-V233 HydrophobicContact CD1-CG1 3.88Å; L198-V233 WeakPolarHBondContact CD1-O 3.16Å; L198-Y243 HydrophobicContact CB-CD1 3.88Å; L198-Y243 HydrophobicContact CB-CD2 4.18Å; L198-Y243 HydrophobicContact CB-CE1 3.52Å; L198-Y243 HydrophobicContact CB-CE2 3.88Å; L198-Y243 HydrophobicContact CB-CG 4.17Å; L198-Y243 HydrophobicContact CD2-CD1 3.52Å; L198-Y243 HydrophobicContact CD2-CE1 3.87Å; L198-Y243 HydrophobicContact CD2-CG 4.03Å; L198-Y243 HydrophobicContact CG-CD1 4.33Å; L198-Y243 HydrophobicContact CG-CE1 4.34Å; L198-Y243 PolarHBondContact N-OH 3.48Å; L198-E247 HydrophobicContact CD2-CB 4.04Å; L198-I248 HydrophobicContact CD1-CG1 4.34Å; L198-A251 HydrophobicContact CD1-CB 4.09Å; L198-A251 HydrophobicContact CD2-CB 4.02Å; L198-A251 HydrophobicContact CG-CB 4Å |
| 199 | K | 98.6 | Very high | 98.5 | Very high | 155 Ų | 155 | 40.3 Ų | 40.3 | 67% | 0.674 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -68.2 | -39.8 | -178.5 | -66.9 | 176.4 | -179.6 | 173.1 | 0 | 111.5 | D197 Q202 Y203 | D197-K199 VanDerWaalsContact C-N 3.26Å; D197-K199 PolarHBondContact O-N 2.54Å; D197-K199 PolarHBondContact OD1-N 3.43Å; K199-Q202 WeakPolarHBondContact O-CB 3.39Å; K199-Q202 PolarHBondContact O-N 2.8Å; K199-Y203 WeakPolarHBondContact O-CB 3.41Å; K199-Y203 PolarHBondContact O-N 3.07Å |
| 200 | R | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 42.3 Ų | 42.3 | 32% | 0.321 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 175.3 | 178.8 | 58.6 | 175.5 | 157.8 | 1.7 | 110.7 | I153 T154 H196 D197 Q202 Y203 V204 | I153-R200 HydrophobicContact CG2-CG 3.88Å; T154-R200 PolarHBondContact O-NH2 3.02Å; H196-R200 HydrophobicContact CB-CB 4.13Å; H196-R200 HydrophobicContact CB-CG 3.84Å; D197-R200 PolarHBondContact O-N 2.9Å; D197-R200 VanDerWaalsContact OD1-CB 3.25Å; D197-R200 WeakPolarHBondContact OD1-CB 3.29Å; D197-R200 PolarHBondContact OD1-N 3.06Å; R200-Q202 VanDerWaalsContact C-N 3.33Å; R200-Q202 PolarHBondContact O-N 2.84Å; R200-Y203 PolarHBondContact O-N 3.37Å; R200-V204 WeakPolarHBondContact O-CG2 3.41Å; R200-V204 PolarHBondContact O-N 3.09Å |
| 201 | C | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | I153 D197 L198 V204 T205 V233 T234 | I153-C201 HydrophobicContact CD1-CB 4.27Å; D197-C201 PolarHBondContact O-N 2.88Å; L198-C201 PolarHBondContact O-N 2.83Å; C201-V204 PolarHBondContact O-N 3.34Å; C201-T205 VanDerWaalsContact O-CB 3.29Å; C201-T205 WeakPolarHBondContact O-CB 3.44Å; C201-T205 PolarHBondContact O-N 3.3Å; C201-T205 PolarHBondContact O-OG1 2.84Å; C201-V233 HydrophobicContact CB-CG1 4.17Å; C201-T234 WeakPolarHBondContact CB-O 3.43Å; C201-T234 PolarHBondContact SG-O 2.97Å |
| 202 | Q | 98.9 | Very high | 98.5 | Very high | 33 Ų | 33 | 43 Ų | 43 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 176.7 | -164.8 | -176.4 | -30 | 0 | 0 | 111.5 | L198 K199 R200 V204 T205 E206 V233 A251 A255 | L198-Q202 PolarHBondContact O-N 2.99Å; K199-Q202 WeakPolarHBondContact O-CB 3.39Å; K199-Q202 PolarHBondContact O-N 2.8Å; R200-Q202 VanDerWaalsContact C-N 3.33Å; R200-Q202 PolarHBondContact O-N 2.84Å; Q202-V204 PolarHBondContact O-N 3.16Å; Q202-T205 PolarHBondContact O-N 3.35Å; Q202-E206 PolarHBondContact NE2-OE1 3.36Å; Q202-E206 WeakPolarHBondContact O-CG 3.16Å; Q202-E206 PolarHBondContact O-N 3.11Å; Q202-V233 VanDerWaalsContact CA-CG1 3.49Å; Q202-V233 HydrophobicContact CB-CG1 3.64Å; Q202-V233 HydrophobicContact CG-CG1 4.17Å; Q202-A251 HydrophobicContact CG-CB 4.46Å; Q202-A255 HydrophobicContact CG-CB 4.04Å |
| 203 | Y | 98.9 | Very high | 98.6 | Very high | 120 Ų | 120 | 42.6 Ų | 42.6 | 47% | 0.471 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.3 | -49.2 | 179.1 | 174.3 | -91.5 | 0 | 0 | 0 | 111.7 | K199 R200 T205 E206 K207 | K199-Y203 WeakPolarHBondContact O-CB 3.41Å; K199-Y203 PolarHBondContact O-N 3.07Å; R200-Y203 PolarHBondContact O-N 3.37Å; Y203-T205 VanDerWaalsContact C-N 3.35Å; Y203-E206 PolarHBondContact O-N 3.4Å; Y203-K207 HydrophobicContact CD1-CG 4.39Å; Y203-K207 HydrophobicContact CE1-CG 3.93Å; Y203-K207 HydrophobicContact CE2-CG 4.37Å; Y203-K207 WeakPolarHBondContact O-CG 3.39Å; Y203-K207 PolarHBondContact O-N 3.28Å; Y203-K207 WeakPolarHBondContact OH-CE 3.18Å |
| 204 | V | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | -179.3 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | I153 P158 I190 R200 C201 Q202 E206 K207 V208 | I153-V204 HydrophobicContact CD1-CB 3.97Å; I153-V204 HydrophobicContact CD1-CG1 4.22Å; I153-V204 HydrophobicContact CD1-CG2 4.11Å; I153-V204 HydrophobicContact CG1-CB 4.21Å; I153-V204 HydrophobicContact CG1-CG1 4.03Å; I153-V204 HydrophobicContact CG1-CG2 4.12Å; P158-V204 HydrophobicContact CG-CG1 3.47Å; P158-V204 VanDerWaalsContact CG-CG1 3.47Å; I190-V204 HydrophobicContact CD1-CG1 4.03Å; I190-V204 HydrophobicContact CG2-CG1 4.34Å; R200-V204 WeakPolarHBondContact O-CG2 3.41Å; R200-V204 PolarHBondContact O-N 3.09Å; C201-V204 PolarHBondContact O-N 3.34Å; Q202-V204 PolarHBondContact O-N 3.16Å; V204-E206 VanDerWaalsContact C-N 3.34Å; V204-E206 PolarHBondContact O-N 3.14Å; V204-K207 PolarHBondContact O-N 3.17Å; V204-K207 VanDerWaalsContact O-N 3.17Å; V204-V208 HydrophobicContact CG1-CG2 4.08Å; V204-V208 WeakPolarHBondContact O-CB 3.39Å; V204-V208 VanDerWaalsContact O-CG2 3.3Å; V204-V208 WeakPolarHBondContact O-CG2 3.24Å; V204-V208 PolarHBondContact O-N 2.95Å |
| 205 | T | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | C201 Q202 Y203 K207 V208 L209 N231 V233 A255 | C201-T205 VanDerWaalsContact O-CB 3.29Å; C201-T205 WeakPolarHBondContact O-CB 3.44Å; C201-T205 PolarHBondContact O-N 3.3Å; C201-T205 PolarHBondContact O-OG1 2.84Å; Q202-T205 PolarHBondContact O-N 3.35Å; Y203-T205 VanDerWaalsContact C-N 3.35Å; T205-K207 PolarHBondContact O-N 3.08Å; T205-V208 PolarHBondContact O-N 3.02Å; T205-L209 HydrophobicContact CG2-CD1 3.85Å; T205-L209 HydrophobicContact CG2-CG 4.23Å; T205-L209 WeakPolarHBondContact O-CB 3.43Å; T205-L209 VanDerWaalsContact O-CG 3.32Å; T205-L209 WeakPolarHBondContact O-CG 3.37Å; T205-L209 PolarHBondContact O-N 3.32Å; T205-N231 PolarHBondContact OG1-ND2 2.73Å; T205-V233 HydrophobicContact CG2-CG2 3.95Å; T205-A255 HydrophobicContact CG2-CB 4.14Å |
| 206 | E | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 175.7 | -72 | 176.6 | -163.4 | 0 | 0 | 112 | Q202 Y203 V204 A210 A255 R258 T259 | Q202-E206 PolarHBondContact NE2-OE1 3.36Å; Q202-E206 WeakPolarHBondContact O-CG 3.16Å; Q202-E206 PolarHBondContact O-N 3.11Å; Y203-E206 PolarHBondContact O-N 3.4Å; V204-E206 VanDerWaalsContact C-N 3.34Å; V204-E206 PolarHBondContact O-N 3.14Å; E206-A210 VanDerWaalsContact O-CB 3.27Å; E206-A210 WeakPolarHBondContact O-CB 3.47Å; E206-A210 PolarHBondContact O-N 3.28Å; E206-A210 VanDerWaalsContact O-N 3.07Å; E206-A255 HydrophobicContact CG-CB 3.81Å; E206-R258 VanDerWaalsContact CD-CD 3.48Å; E206-R258 WeakPolarHBondContact OE1-CD 3.42Å; E206-R258 IonicContact OE1-CZ 3.47Å; E206-R258 IonicContact OE1-NE 3.66Å; E206-R258 IonicContact OE1-NH1 2.73Å; E206-R258 PolarHBondContact OE1-NH1 3.26Å; E206-R258 IonicContact OE2-NH1 3.68Å; E206-R258 PolarHBondContact OE2-NH1 3.06Å; E206-T259 HydrophobicContact CB-CG2 4.14Å; E206-T259 HydrophobicContact CG-CG2 4.35Å; E206-T259 WeakPolarHBondContact O-CG2 3.43Å |
| 207 | K | 98.9 | Very high | 98.9 | Very high | 108 Ų | 108 | 44.2 Ų | 44.2 | 47% | 0.47 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.9 | -41.9 | 178.6 | -64.7 | -56.1 | 179.3 | -175.9 | 0 | 112.9 | Y203 V204 T205 A211 | Y203-K207 HydrophobicContact CD1-CG 4.39Å; Y203-K207 HydrophobicContact CE1-CG 3.93Å; Y203-K207 HydrophobicContact CE2-CG 4.37Å; Y203-K207 WeakPolarHBondContact O-CG 3.39Å; Y203-K207 PolarHBondContact O-N 3.28Å; Y203-K207 WeakPolarHBondContact OH-CE 3.18Å; V204-K207 PolarHBondContact O-N 3.17Å; V204-K207 VanDerWaalsContact O-N 3.17Å; T205-K207 PolarHBondContact O-N 3.08Å; K207-A211 PolarHBondContact O-N 3.46Å |
| 208 | V | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -49.7 | 178.7 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | L151 P158 I163 P188 I190 V204 T205 A210 A211 V212 | L151-V208 HydrophobicContact CD1-CB 4.33Å; L151-V208 HydrophobicContact CD1-CG1 3.49Å; L151-V208 VanDerWaalsContact CD1-CG1 3.49Å; L151-V208 HydrophobicContact CD1-CG2 3.81Å; P158-V208 HydrophobicContact CG-CG2 4.45Å; I163-V208 HydrophobicContact CD1-CG2 4.37Å; I163-V208 HydrophobicContact CG1-CG2 4.15Å; P188-V208 HydrophobicContact CB-CG1 4.08Å; I190-V208 HydrophobicContact CD1-CB 4.04Å; I190-V208 HydrophobicContact CD1-CG1 4.32Å; I190-V208 HydrophobicContact CD1-CG2 3.94Å; I190-V208 HydrophobicContact CG1-CG2 4.29Å; V204-V208 HydrophobicContact CG1-CG2 4.08Å; V204-V208 WeakPolarHBondContact O-CB 3.39Å; V204-V208 VanDerWaalsContact O-CG2 3.3Å; V204-V208 WeakPolarHBondContact O-CG2 3.24Å; V204-V208 PolarHBondContact O-N 2.95Å; T205-V208 PolarHBondContact O-N 3.02Å; V208-A210 VanDerWaalsContact C-N 3.35Å; V208-A210 PolarHBondContact O-N 3.45Å; V208-A211 WeakPolarHBondContact O-CB 3.43Å; V208-A211 PolarHBondContact O-N 3.3Å; V208-A211 VanDerWaalsContact O-N 3.17Å; V208-V212 HydrophobicContact CG1-CG2 4.37Å; V208-V212 WeakPolarHBondContact O-CG2 3.32Å; V208-V212 PolarHBondContact O-N 2.92Å |
| 209 | L | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -36.7 | -178.1 | -67.6 | -176.5 | 0 | 0 | 0 | 112.4 | P188 T205 A211 V212 Y213 L228 L256 T259 V260 | P188-L209 HydrophobicContact CG-CD2 3.92Å; T205-L209 HydrophobicContact CG2-CD1 3.85Å; T205-L209 HydrophobicContact CG2-CG 4.23Å; T205-L209 WeakPolarHBondContact O-CB 3.43Å; T205-L209 VanDerWaalsContact O-CG 3.32Å; T205-L209 WeakPolarHBondContact O-CG 3.37Å; T205-L209 PolarHBondContact O-N 3.32Å; L209-A211 VanDerWaalsContact C-N 3.32Å; L209-A211 PolarHBondContact O-N 3.09Å; L209-V212 PolarHBondContact O-N 3.48Å; L209-Y213 VanDerWaalsContact O-CD2 3.32Å; L209-Y213 WeakPolarHBondContact O-CD2 3.31Å; L209-Y213 PolarHBondContact O-N 3.22Å; L209-L228 HydrophobicContact CD1-CD2 4.35Å; L209-L228 HydrophobicContact CD2-CD1 4.12Å; L209-L228 HydrophobicContact CD2-CD2 3.98Å; L209-L256 HydrophobicContact CD1-CD2 3.95Å; L209-T259 HydrophobicContact CB-CG2 4.25Å; L209-T259 WeakPolarHBondContact CB-OG1 3.39Å; L209-V260 HydrophobicContact CD1-CG2 4.45Å |
| 210 | A | 98.9 | Very high | 98.9 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | E206 V208 K214 T259 | E206-A210 VanDerWaalsContact O-CB 3.27Å; E206-A210 WeakPolarHBondContact O-CB 3.47Å; E206-A210 PolarHBondContact O-N 3.28Å; E206-A210 VanDerWaalsContact O-N 3.07Å; V208-A210 VanDerWaalsContact C-N 3.35Å; V208-A210 PolarHBondContact O-N 3.45Å; A210-K214 WeakPolarHBondContact O-CB 3.42Å; A210-K214 PolarHBondContact O-N 3.36Å; A210-T259 HydrophobicContact CB-CG2 4.39Å |
| 211 | A | 98.9 | Very high | 98.9 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 22% | 0.223 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I163 A167 K207 V208 L209 K214 A215 | I163-A211 HydrophobicContact CG2-CB 3.36Å; A167-A211 HydrophobicContact CB-CB 4.23Å; K207-A211 PolarHBondContact O-N 3.46Å; V208-A211 WeakPolarHBondContact O-CB 3.43Å; V208-A211 PolarHBondContact O-N 3.3Å; V208-A211 VanDerWaalsContact O-N 3.17Å; L209-A211 VanDerWaalsContact C-N 3.32Å; L209-A211 PolarHBondContact O-N 3.09Å; A211-K214 PolarHBondContact O-N 3.43Å; A211-A215 WeakPolarHBondContact O-CB 3.12Å; A211-A215 PolarHBondContact O-N 3.03Å |
| 212 | V | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -54.3 | 176.2 | 169 | 0 | 0 | 0 | 0 | 110.7 | A167 L170 V186 P188 V208 L209 K214 A215 L216 | A167-V212 HydrophobicContact CB-CG2 4.2Å; L170-V212 HydrophobicContact CD1-CG2 4.29Å; V186-V212 HydrophobicContact CG1-CG1 3.82Å; P188-V212 HydrophobicContact CB-CG2 4.03Å; P188-V212 HydrophobicContact CG-CG2 4.21Å; V208-V212 HydrophobicContact CG1-CG2 4.37Å; V208-V212 WeakPolarHBondContact O-CG2 3.32Å; V208-V212 PolarHBondContact O-N 2.92Å; L209-V212 PolarHBondContact O-N 3.48Å; V212-K214 VanDerWaalsContact C-N 3.3Å; V212-K214 PolarHBondContact O-N 3.05Å; V212-A215 PolarHBondContact O-N 3.04Å; V212-A215 VanDerWaalsContact O-N 3.1Å; V212-L216 HydrophobicContact CG1-CD1 4.12Å; V212-L216 HydrophobicContact CG1-CG 4.27Å; V212-L216 WeakPolarHBondContact O-CG 3.09Å; V212-L216 PolarHBondContact O-N 3.24Å |
| 213 | Y | 98.9 | Very high | 98.9 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -30.9 | -178 | -79 | -72.3 | 0 | 0 | 0 | 113.3 | L209 L216 S217 L223 L228 T259 V260 P261 V264 | L209-Y213 VanDerWaalsContact O-CD2 3.32Å; L209-Y213 WeakPolarHBondContact O-CD2 3.31Å; L209-Y213 PolarHBondContact O-N 3.22Å; Y213-L216 HydrophobicContact CD1-CD1 3.91Å; Y213-L216 HydrophobicContact CE1-CD1 3.95Å; Y213-S217 WeakPolarHBondContact O-CB 3.42Å; Y213-S217 PolarHBondContact O-N 2.76Å; Y213-L223 HydrophobicContact CD1-CD1 4.26Å; Y213-L223 HydrophobicContact CD1-CD2 4.16Å; Y213-L223 HydrophobicContact CE1-CD1 4.47Å; Y213-L223 HydrophobicContact CE1-CD2 4.17Å; Y213-L228 HydrophobicContact CE2-CD2 4.33Å; Y213-T259 WeakPolarHBondContact CD2-O 3.43Å; Y213-V260 HydrophobicContact CE2-CB 4.1Å; Y213-V260 HydrophobicContact CE2-CG1 4.14Å; Y213-V260 HydrophobicContact CE2-CG2 3.76Å; Y213-P261 HydrophobicContact CD1-CG 3.94Å; Y213-P261 HydrophobicContact CE1-CG 4.44Å; Y213-P261 HydrophobicContact CG-CG 4.25Å; Y213-V264 HydrophobicContact CE1-CG2 3.57Å |
| 214 | K | 98.9 | Very high | 98.9 | Very high | 120 Ų | 120 | 42.2 Ų | 42.2 | 52% | 0.522 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 169.8 | -179.2 | 57.3 | 170 | 73.1 | 0 | 111.4 | A210 A211 V212 S217 D218 | A210-K214 WeakPolarHBondContact O-CB 3.42Å; A210-K214 PolarHBondContact O-N 3.36Å; A211-K214 PolarHBondContact O-N 3.43Å; V212-K214 VanDerWaalsContact C-N 3.3Å; V212-K214 PolarHBondContact O-N 3.05Å; K214-S217 WeakPolarHBondContact O-CB 3.5Å; K214-S217 PolarHBondContact O-N 3.02Å; K214-D218 IonicContact NZ-OD1 2.6Å; K214-D218 PolarHBondContact NZ-OD1 3.3Å; K214-D218 IonicContact NZ-OD2 2.61Å; K214-D218 PolarHBondContact NZ-OD2 2.83Å; K214-D218 VanDerWaalsContact O-CG 3.23Å; K214-D218 PolarHBondContact O-N 3.11Å |
| 215 | A | 98.9 | Very high | 98.9 | Very high | 11 Ų | 11 | 42 Ų | 42 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A167 A171 A211 V212 S217 D218 H219 | A167-A215 HydrophobicContact CB-CB 3.9Å; A167-A215 WeakPolarHBondContact O-CB 3.32Å; A171-A215 HydrophobicContact CB-CB 3.93Å; A171-A215 WeakPolarHBondContact CB-O 3.38Å; A211-A215 WeakPolarHBondContact O-CB 3.12Å; A211-A215 PolarHBondContact O-N 3.03Å; V212-A215 PolarHBondContact O-N 3.04Å; V212-A215 VanDerWaalsContact O-N 3.1Å; A215-S217 VanDerWaalsContact C-N 3.28Å; A215-S217 PolarHBondContact O-N 3.44Å; A215-D218 PolarHBondContact O-N 2.98Å; A215-D218 VanDerWaalsContact O-N 3.13Å; A215-H219 PolarHBondContact O-CD2 3.1Å; A215-H219 PolarHBondContact O-N 3.27Å |
| 216 | L | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.1 | -42.7 | 174.5 | -65.7 | -177.7 | 0 | 0 | 0 | 111.4 | A171 A174 V186 V212 Y213 H219 H220 V221 L223 | A171-L216 HydrophobicContact CB-CD2 4.05Å; A174-L216 HydrophobicContact CB-CD2 4.08Å; V186-L216 HydrophobicContact CG2-CD1 4.44Å; V186-L216 HydrophobicContact CG2-CD2 4.33Å; V212-L216 HydrophobicContact CG1-CD1 4.12Å; V212-L216 HydrophobicContact CG1-CG 4.27Å; V212-L216 WeakPolarHBondContact O-CG 3.09Å; V212-L216 PolarHBondContact O-N 3.24Å; Y213-L216 HydrophobicContact CD1-CD1 3.91Å; Y213-L216 HydrophobicContact CE1-CD1 3.95Å; L216-H219 CarbonylContact O-C 3.21Å; L216-H219 PolarHBondContact O-N 3.42Å; L216-H220 PolarHBondContact O-N 3.37Å; L216-V221 HydrophobicContact CB-CB 4.12Å; L216-V221 HydrophobicContact CB-CG2 4.4Å; L216-V221 HydrophobicContact CD2-CB 4.26Å; L216-V221 HydrophobicContact CD2-CG1 4.27Å; L216-V221 HydrophobicContact CD2-CG2 3.98Å; L216-V221 WeakPolarHBondContact O-CB 3.43Å; L216-V221 PolarHBondContact O-N 3.44Å; L216-L223 HydrophobicContact CB-CD2 4.16Å; L216-L223 HydrophobicContact CD1-CD2 4Å |
| 217 | S | 98.9 | Very high | 98.9 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 55% | 0.552 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.9 | -43.6 | 174.7 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | Y213 K214 A215 H219 H220 | Y213-S217 WeakPolarHBondContact O-CB 3.42Å; Y213-S217 PolarHBondContact O-N 2.76Å; K214-S217 WeakPolarHBondContact O-CB 3.5Å; K214-S217 PolarHBondContact O-N 3.02Å; A215-S217 VanDerWaalsContact C-N 3.28Å; A215-S217 PolarHBondContact O-N 3.44Å; S217-H219 VanDerWaalsContact C-N 3.27Å; S217-H219 PolarHBondContact O-N 3.13Å; S217-H220 PolarHBondContact O-N 3.34Å; S217-H220 VanDerWaalsContact O-N 3.1Å |
| 218 | D | 98.8 | Very high | 98.9 | Very high | 85 Ų | 85 | 35.1 Ų | 35.1 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.9 | -30.4 | -179 | -70.2 | -18.9 | 0 | 0 | 0 | 112.6 | K214 A215 H220 | K214-D218 IonicContact NZ-OD1 2.6Å; K214-D218 PolarHBondContact NZ-OD1 3.3Å; K214-D218 IonicContact NZ-OD2 2.61Å; K214-D218 PolarHBondContact NZ-OD2 2.83Å; K214-D218 VanDerWaalsContact O-CG 3.23Å; K214-D218 PolarHBondContact O-N 3.11Å; A215-D218 PolarHBondContact O-N 2.98Å; A215-D218 VanDerWaalsContact O-N 3.13Å; D218-H220 VanDerWaalsContact C-N 3.31Å |
| 219 | H | 98.8 | Very high | 98.9 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 19% | 0.185 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 13.9 | 175.3 | -68.9 | -109.5 | 0 | 0 | 0 | 112.9 | N168 A171 R172 A215 L216 S217 V221 | N168-H219 PolarHBondContact OD1-CE1 3.14Å; N168-H219 PolarHBondContact OD1-NE2 3.39Å; A171-H219 HydrophobicContact CB-CB 3.9Å; R172-H219 WeakPolarHBondContact CD-CE1 3.43Å; R172-H219 WeakPolarHBondContact CD-ND1 3.16Å; A215-H219 PolarHBondContact O-CD2 3.1Å; A215-H219 PolarHBondContact O-N 3.27Å; L216-H219 CarbonylContact O-C 3.21Å; L216-H219 PolarHBondContact O-N 3.42Å; S217-H219 VanDerWaalsContact C-N 3.27Å; S217-H219 PolarHBondContact O-N 3.13Å; H219-V221 HydrophobicContact CB-CG2 4.3Å; H219-V221 PolarHBondContact O-N 3.27Å |
| 220 | H | 98.7 | Very high | 98.9 | Very high | 139 Ų | 139 | 35.2 Ų | 35.2 | 64% | 0.644 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 20.9 | 173.9 | -45.4 | -52.3 | 0 | 0 | 0 | 115 | F7 L216 S217 D218 Y222 | F7-H220 HydrophobicContact CD1-CB 4.38Å; F7-H220 HydrophobicContact CE1-CB 3.86Å; F7-H220 VanDerWaalsContact CE1-O 3.24Å; F7-H220 WeakPolarHBondContact CE1-O 3.46Å; L216-H220 PolarHBondContact O-N 3.37Å; S217-H220 PolarHBondContact O-N 3.34Å; S217-H220 VanDerWaalsContact O-N 3.1Å; D218-H220 VanDerWaalsContact C-N 3.31Å; H220-Y222 PolarHBondContact O-N 2.84Å |
| 221 | V | 98.9 | Very high | 98.9 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | trans | -61.5 | 130 | -176.8 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | A174 L216 H219 L223 T226 | A174-V221 HydrophobicContact CB-CG1 4.04Å; A174-V221 HydrophobicContact CB-CG2 3.92Å; L216-V221 HydrophobicContact CB-CB 4.12Å; L216-V221 HydrophobicContact CB-CG2 4.4Å; L216-V221 HydrophobicContact CD2-CB 4.26Å; L216-V221 HydrophobicContact CD2-CG1 4.27Å; L216-V221 HydrophobicContact CD2-CG2 3.98Å; L216-V221 WeakPolarHBondContact O-CB 3.43Å; L216-V221 PolarHBondContact O-N 3.44Å; H219-V221 HydrophobicContact CB-CG2 4.3Å; H219-V221 PolarHBondContact O-N 3.27Å; V221-L223 PolarHBondContact O-N 2.85Å; V221-T226 HydrophobicContact CG1-CG2 3.52Å | ||
| 222 | Y | 98.9 | Very high | 98.9 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 18% | 0.184 | 16% | 0.161 | C | C | . | . | trans | -79.9 | 101.7 | 178.1 | 175.6 | -118.1 | 0 | 0 | 0 | 110.5 | L8 K13 Q178 H220 E224 G225 T226 | L8-Y222 HydrophobicContact CD1-CD1 4.42Å; L8-Y222 HydrophobicContact CD1-CG 4.31Å; K13-Y222 HydrophobicContact CB-CD1 4.24Å; K13-Y222 HydrophobicContact CB-CE1 3.69Å; K13-Y222 HydrophobicContact CB-CE2 4.4Å; K13-Y222 HydrophobicContact CD-CD2 4.16Å; K13-Y222 HydrophobicContact CD-CE2 3.93Å; K13-Y222 HydrophobicContact CG-CD1 3.99Å; K13-Y222 HydrophobicContact CG-CD2 4.22Å; K13-Y222 HydrophobicContact CG-CE1 3.89Å; K13-Y222 HydrophobicContact CG-CE2 4.12Å; K13-Y222 HydrophobicContact CG-CG 4.15Å; K13-Y222 WeakPolarHBondContact O-CE1 3.29Å; Q178-Y222 PolarHBondContact NE2-O 3.32Å; H220-Y222 PolarHBondContact O-N 2.84Å; Y222-E224 VanDerWaalsContact C-N 3.34Å; Y222-E224 HydrophobicContact CD1-CB 4.48Å; Y222-E224 VanDerWaalsContact CD2-OE2 3.27Å; Y222-E224 WeakPolarHBondContact CD2-OE2 3.36Å; Y222-E224 HydrophobicContact CE1-CB 3.78Å; Y222-E224 HydrophobicContact CE2-CB 3.94Å; Y222-E224 VanDerWaalsContact CE2-CD 3.41Å; Y222-E224 HydrophobicContact CE2-CG 4.11Å; Y222-E224 WeakPolarHBondContact CE2-OE2 3.41Å; Y222-E224 VanDerWaalsContact CZ-CB 3.49Å; Y222-E224 PolarHBondContact O-N 3.24Å; Y222-G225 PolarHBondContact O-N 3.44Å; Y222-T226 WeakPolarHBondContact O-CG2 3.21Å | ||
| 223 | L | 98.9 | Very high | 98.9 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 15% | 0.152 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -64.3 | -34.2 | -166.9 | -62.1 | -174.7 | 0 | 0 | 0 | 113.9 | Y213 L216 V221 G225 T226 P261 A263 V264 P265 | Y213-L223 HydrophobicContact CD1-CD1 4.26Å; Y213-L223 HydrophobicContact CD1-CD2 4.16Å; Y213-L223 HydrophobicContact CE1-CD1 4.47Å; Y213-L223 HydrophobicContact CE1-CD2 4.17Å; L216-L223 HydrophobicContact CB-CD2 4.16Å; L216-L223 HydrophobicContact CD1-CD2 4Å; V221-L223 PolarHBondContact O-N 2.85Å; L223-G225 PolarHBondContact O-N 3.39Å; L223-G225 VanDerWaalsContact O-N 3.15Å; L223-T226 PolarHBondContact O-N 2.99Å; L223-T226 PolarHBondContact O-OG1 2.97Å; L223-P261 HydrophobicContact CD1-CB 3.91Å; L223-P261 HydrophobicContact CD1-CG 3.78Å; L223-A263 HydrophobicContact CB-CB 4.06Å; L223-V264 HydrophobicContact CB-CG2 4.24Å; L223-V264 HydrophobicContact CD1-CG2 4.49Å; L223-P265 WeakPolarHBondContact O-CD 3.4Å |
| 224 | E | 98.9 | Very high | 98.9 | Very high | 70 Ų | 70 | 32.4 Ų | 32.4 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -63.8 | -16.3 | 177 | -59.4 | 86 | 150.1 | 0 | 0 | 112.5 | S17 Y222 A263 P265 | S17-E224 WeakPolarHBondContact CA-O 3.15Å; S17-E224 PolarHBondContact OG-O 2.72Å; Y222-E224 VanDerWaalsContact C-N 3.34Å; Y222-E224 HydrophobicContact CD1-CB 4.48Å; Y222-E224 VanDerWaalsContact CD2-OE2 3.27Å; Y222-E224 WeakPolarHBondContact CD2-OE2 3.36Å; Y222-E224 HydrophobicContact CE1-CB 3.78Å; Y222-E224 HydrophobicContact CE2-CB 3.94Å; Y222-E224 VanDerWaalsContact CE2-CD 3.41Å; Y222-E224 HydrophobicContact CE2-CG 4.11Å; Y222-E224 WeakPolarHBondContact CE2-OE2 3.41Å; Y222-E224 VanDerWaalsContact CZ-CB 3.49Å; Y222-E224 PolarHBondContact O-N 3.24Å; E224-A263 WeakPolarHBondContact CA-O 3.35Å; E224-A263 HydrophobicContact CG-CB 4.16Å; E224-P265 WeakPolarHBondContact O-CG 3.49Å |
| 225 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -108.7 | 31.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q178 P184 Y222 L223 | Q178-G225 PolarHBondContact NE2-O 3.38Å; Q178-G225 VanDerWaalsContact NE2-O 3.1Å; P184-G225 WeakPolarHBondContact CD-O 3.3Å; Y222-G225 PolarHBondContact O-N 3.44Å; L223-G225 PolarHBondContact O-N 3.39Å; L223-G225 VanDerWaalsContact O-N 3.15Å |
| 226 | T | 99 | Very high | 98.8 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | trans | -129.4 | 170.1 | 175.6 | 69.5 | 0 | 0 | 0 | 0 | 111.3 | P184 V221 Y222 L223 P265 | P184-T226 HydrophobicContact CG-CG2 3.96Å; V221-T226 HydrophobicContact CG1-CG2 3.52Å; Y222-T226 WeakPolarHBondContact O-CG2 3.21Å; L223-T226 PolarHBondContact O-N 2.99Å; L223-T226 PolarHBondContact O-OG1 2.97Å; T226-P265 VanDerWaalsContact O-CD 3.26Å; T226-P265 WeakPolarHBondContact O-CD 3.42Å | ||
| 227 | L | 99 | Very high | 98.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 151.9 | 161.8 | -63.6 | 171.2 | 0 | 0 | 0 | 109.2 | A20 I23 V24 I30 V183 P184 I185 V186 P265 T268 | A20-L227 HydrophobicContact CB-CD2 4.41Å; I23-L227 HydrophobicContact CB-CD1 4.04Å; I23-L227 HydrophobicContact CD1-CD1 4.05Å; I23-L227 HydrophobicContact CG2-CD1 3.66Å; V24-L227 HydrophobicContact CG1-CD1 4Å; V24-L227 HydrophobicContact CG1-CD2 3.61Å; V24-L227 HydrophobicContact CG1-CG 4.48Å; V24-L227 HydrophobicContact CG2-CD2 4.29Å; I30-L227 HydrophobicContact CD1-CD1 4.45Å; V183-L227 HydrophobicContact CG1-CG 4.45Å; P184-L227 PolarHBondContact O-N 3.49Å; P184-L227 VanDerWaalsContact O-N 3.1Å; I185-L227 WeakPolarHBondContact CA-O 3.4Å; I185-L227 HydrophobicContact CD1-CD1 4.44Å; I185-L227 HydrophobicContact CG1-CB 4.18Å; I185-L227 HydrophobicContact CG1-CD1 4.33Å; V186-L227 PolarHBondContact N-O 2.93Å; L227-P265 HydrophobicContact CD2-CB 4.22Å; L227-T268 HydrophobicContact CD1-CG2 4.26Å |
| 228 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 132.9 | 174 | -174 | 73.3 | 0 | 0 | 0 | 110.1 | V186 P188 L209 Y213 P230 L256 V260 G266 I267 T268 | V186-L228 HydrophobicContact CB-CD1 4.37Å; V186-L228 HydrophobicContact CG1-CD1 4.31Å; P188-L228 HydrophobicContact CG-CD1 4.21Å; L209-L228 HydrophobicContact CD1-CD2 4.35Å; L209-L228 HydrophobicContact CD2-CD1 4.12Å; L209-L228 HydrophobicContact CD2-CD2 3.98Å; Y213-L228 HydrophobicContact CE2-CD2 4.33Å; L228-P230 HydrophobicContact CD2-CB 4.14Å; L228-P230 HydrophobicContact CD2-CG 3.91Å; L228-P230 HydrophobicContact CG-CB 4.29Å; L228-P230 HydrophobicContact CG-CG 4.12Å; L228-P230 WeakPolarHBondContact O-CD 3.09Å; L228-L256 HydrophobicContact CD2-CD2 4.17Å; L228-V260 HydrophobicContact CD2-CG2 4Å; L228-G266 PolarHBondContact N-O 3.08Å; L228-I267 HydrophobicContact CB-CD1 3.84Å; L228-I267 HydrophobicContact CD2-CD1 4.02Å; L228-I267 HydrophobicContact CD2-CG2 4.5Å; L228-I267 CarbonylContact O-C 3.39Å; L228-I267 WeakPolarHBondContact O-CA 3.35Å; L228-T268 PolarHBondContact O-N 3.34Å; L228-T268 PolarHBondContact O-OG1 3.08Å |
| 229 | K | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | trans | -117.6 | 80.4 | 171 | 177.6 | 167.6 | -176.1 | 178.5 | 0 | 110 | I185 V186 E187 T268 L270 S300 | I185-K229 HydrophobicContact CG2-CB 3.45Å; I185-K229 VanDerWaalsContact CG2-CB 3.45Å; I185-K229 HydrophobicContact CG2-CD 4.17Å; I185-K229 HydrophobicContact CG2-CG 4.45Å; V186-K229 PolarHBondContact O-N 2.85Å; E187-K229 WeakPolarHBondContact CA-O 3.46Å; E187-K229 HydrophobicContact CB-CB 3.98Å; E187-K229 HydrophobicContact CB-CD 4.37Å; E187-K229 HydrophobicContact CB-CG 4.18Å; E187-K229 HydrophobicContact CG-CB 4.2Å; E187-K229 HydrophobicContact CG-CD 4.07Å; E187-K229 HydrophobicContact CG-CG 3.85Å; E187-K229 WeakPolarHBondContact OE1-CD 3.32Å; E187-K229 WeakPolarHBondContact OE1-CE 3.46Å; E187-K229 IonicContact OE1-NZ 2.73Å; K229-T268 WeakPolarHBondContact CA-O 3.33Å; K229-T268 WeakPolarHBondContact CB-O 3.2Å; K229-T268 VanDerWaalsContact CG-O 3.24Å; K229-T268 WeakPolarHBondContact CG-O 3.36Å; K229-L270 HydrophobicContact CG-CB 4.13Å; K229-L270 HydrophobicContact CG-CD2 4.46Å; K229-S300 VanDerWaalsContact CE-O 3.32Å; K229-S300 WeakPolarHBondContact CE-O 3.48Å; K229-S300 WeakPolarHBondContact CE-OG 3.41Å; K229-S300 PolarHBondContact NZ-O 2.91Å; K229-S300 PolarHBondContact NZ-OG 2.65Å | ||
| 230 | P | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -89.4 | 166.3 | 178.6 | 37.6 | -30.7 | 0 | 0 | 0 | 110.3 | L228 L256 I267 F269 L270 | L228-P230 HydrophobicContact CD2-CB 4.14Å; L228-P230 HydrophobicContact CD2-CG 3.91Å; L228-P230 HydrophobicContact CG-CB 4.29Å; L228-P230 HydrophobicContact CG-CG 4.12Å; L228-P230 WeakPolarHBondContact O-CD 3.09Å; P230-L256 HydrophobicContact CG-CD2 4.33Å; P230-I267 HydrophobicContact CG-CG2 3.54Å; P230-F269 HydrophobicContact CG-CD1 3.94Å; P230-F269 HydrophobicContact CG-CE1 3.75Å; P230-F269 HydrophobicContact CG-CZ 4.39Å; P230-L270 WeakPolarHBondContact O-CG 3.12Å; P230-L270 PolarHBondContact O-N 3.42Å |
| 231 | N | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.059 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 152.2 | 157.3 | 54.6 | -79.8 | 0 | 0 | 0 | 110.5 | I190 T205 L270 | I190-N231 WeakPolarHBondContact CB-OD1 3.11Å; I190-N231 PolarHBondContact N-OD1 3.35Å; T205-N231 PolarHBondContact OG1-ND2 2.73Å; N231-L270 HydrophobicContact CB-CD1 4.18Å |
| 232 | M | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 155.2 | 160.1 | -62.5 | -177.1 | -167.9 | 0 | 0 | 109.2 | T234 F269 Q274 N282 L283 M286 Y301 | M232-T234 HydrophobicContact CB-CG2 4Å; M232-T234 PolarHBondContact O-N 3.29Å; M232-F269 HydrophobicContact CB-CD1 4.38Å; M232-F269 HydrophobicContact CB-CE1 4.49Å; M232-F269 HydrophobicContact CE-CB 4.04Å; M232-F269 HydrophobicContact CE-CG 4.32Å; M232-F269 HydrophobicContact CG-CB 4.4Å; M232-F269 HydrophobicContact CG-CD1 3.52Å; M232-F269 HydrophobicContact CG-CE1 3.94Å; M232-F269 HydrophobicContact CG-CG 4.06Å; M232-Q274 PolarHBondContact SD-NE2 2.84Å; M232-Q274 VanDerWaalsContact SD-NE2 3.41Å; M232-N282 HydrophobicContact CE-CB 4.28Å; M232-N282 HydrophobicContact SD-CB 3.57Å; M232-N282 VanDerWaalsContact SD-CB 3.57Å; M232-L283 HydrophobicContact CE-CB 4.34Å; M232-M286 HydrophobicContact CE-CE 3.52Å; M232-M286 HydrophobicContact CG-CE 3.89Å; M232-M286 HydrophobicContact CG-SD 4.38Å; M232-M286 HydrophobicContact SD-CE 3.72Å; M232-Y301 WeakPolarHBondContact CE-OH 3.43Å |
| 233 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -83.8 | 100.1 | 172 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | L198 C201 Q202 T205 A251 T252 A255 | L198-V233 HydrophobicContact CD1-CG1 3.88Å; L198-V233 WeakPolarHBondContact CD1-O 3.16Å; C201-V233 HydrophobicContact CB-CG1 4.17Å; Q202-V233 VanDerWaalsContact CA-CG1 3.49Å; Q202-V233 HydrophobicContact CB-CG1 3.64Å; Q202-V233 HydrophobicContact CG-CG1 4.17Å; T205-V233 HydrophobicContact CG2-CG2 3.95Å; V233-A251 HydrophobicContact CB-CB 4.18Å; V233-A251 HydrophobicContact CG1-CB 3.72Å; V233-T252 WeakPolarHBondContact CB-OG1 3.45Å; V233-T252 HydrophobicContact CG2-CG2 4.43Å; V233-T252 PolarHBondContact N-OG1 3.1Å; V233-A255 HydrophobicContact CG2-CB 4.01Å | ||
| 234 | T | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 14% | 0.135 | 21% | 0.208 | C | C | . | . | trans | -121.8 | 157.8 | -179.6 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | C201 M232 I248 | C201-T234 WeakPolarHBondContact CB-O 3.43Å; C201-T234 PolarHBondContact SG-O 2.97Å; M232-T234 HydrophobicContact CB-CG2 4Å; M232-T234 PolarHBondContact O-N 3.29Å; T234-I248 HydrophobicContact CG2-CD1 4.43Å; T234-I248 HydrophobicContact CG2-CG2 4.08Å | ||
| 235 | P | 98.1 | Very high | 97.8 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 17% | 0.169 | 21% | 0.205 | C | C | . | . | trans | -59.2 | 158.3 | 163.9 | 31 | -38.7 | 0 | 0 | 0 | 110.5 | C239 Y243 | P235-C239 HydrophobicContact CB-CB 3.8Å; P235-Y243 HydrophobicContact CB-CD2 3.81Å; P235-Y243 HydrophobicContact CB-CE2 3.88Å; P235-Y243 HydrophobicContact CG-CD2 3.79Å; P235-Y243 HydrophobicContact CG-CE2 4.37Å | ||
| 236 | G | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | -59.6 | 151.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P192 G194 H196 S238 C239 | P192-G236 CarbonylContact O-C 3.17Å; P192-G236 VanDerWaalsContact O-CA 3.24Å; P192-G236 WeakPolarHBondContact O-CA 3.38Å; G194-G236 CarbonylContact O-C 3.47Å; G194-G236 WeakPolarHBondContact O-CA 3.26Å; H196-G236 WeakPolarHBondContact NE2-CA 3.4Å; H196-G236 PolarHBondContact NE2-N 2.93Å; H196-G236 PolarHBondContact O-N 3.12Å; G236-S238 PolarHBondContact O-N 3.06Å; G236-S238 VanDerWaalsContact O-N 3.17Å; G236-C239 WeakPolarHBondContact O-CB 3.46Å; G236-C239 PolarHBondContact O-N 2.92Å | ||
| 237 | H | 95.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 43% | 0.426 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -34.7 | -174.7 | -171.8 | 65.6 | 0 | 0 | 0 | 112.8 | P192 G194 Y357 | P192-H237 PolarHBondContact O-N 3.47Å; G194-H237 PolarHBondContact O-N 2.89Å; G194-H237 VanDerWaalsContact O-N 3.15Å; H237-Y357 HydrophobicContact CB-CD2 4.39Å; H237-Y357 HydrophobicContact CB-CE2 4.08Å; H237-Y357 AromaticContact CD2-CD1 3.46Å; H237-Y357 VanDerWaalsContact CD2-CD1 3.46Å; H237-Y357 WeakPolarHBondContact CD2-CD1 3.42Å; H237-Y357 AromaticContact CD2-CE1 3.44Å; H237-Y357 VanDerWaalsContact CD2-CE1 3.44Å; H237-Y357 WeakPolarHBondContact CD2-CE1 3.3Å; H237-Y357 AromaticContact CD2-CG 3.94Å; H237-Y357 AromaticContact CD2-CZ 3.91Å; H237-Y357 AromaticContact CE1-CD1 3.83Å; H237-Y357 AromaticContact CE1-CG 3.77Å; H237-Y357 AromaticContact CG-CD1 3.92Å; H237-Y357 AromaticContact CG-CE1 3.96Å; H237-Y357 AromaticContact CG-CG 3.93Å; H237-Y357 AromaticContact ND1-CG 3.83Å; H237-Y357 AromaticContact NE2-CD1 3.39Å; H237-Y357 WeakPolarHBondContact NE2-CD1 3.15Å; H237-Y357 AromaticContact NE2-CE1 3.87Å; H237-Y357 AromaticContact NE2-CG 3.83Å |
| 238 | S | 96.1 | Very high | 97.7 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 60% | 0.601 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.2 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | G194 G236 S240 | G194-S238 WeakPolarHBondContact O-CB 3.22Å; G194-S238 PolarHBondContact O-N 3.31Å; G236-S238 PolarHBondContact O-N 3.06Å; G236-S238 VanDerWaalsContact O-N 3.17Å; S238-S240 PolarHBondContact O-N 3.48Å |
| 239 | C | 97.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | trans | -64.8 | 127.9 | -179.9 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | P235 G236 | P235-C239 HydrophobicContact CB-CB 3.8Å; G236-C239 WeakPolarHBondContact O-CB 3.46Å; G236-C239 PolarHBondContact O-N 2.92Å | ||
| 240 | S | 96.7 | Very high | 97.7 | Very high | 114 Ų | 114 | 51.1 Ų | 51.1 | 80% | 0.797 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -73.1 | -32.6 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | S238 | S238-S240 PolarHBondContact O-N 3.48Š|
| 241 | Q | 97.3 | Very high | 97.7 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -71.5 | 132.6 | 177 | -173.8 | 174.1 | -9.8 | 0 | 0 | 110.9 | Y243 | Q241-Y243 HydrophobicContact CB-CE2 3.86Å; Q241-Y243 HydrophobicContact CG-CD2 4.35Å; Q241-Y243 HydrophobicContact CG-CE1 4.41Å; Q241-Y243 HydrophobicContact CG-CE2 3.66Å; Q241-Y243 PolarHBondContact NE2-OH 3.49Å; Q241-Y243 PolarHBondContact OE1-OH 2.9Å |
| 242 | K | 94.1 | Very high | 97.7 | Very high | 171 Ų | 171 | 50.9 Ų | 50.9 | 74% | 0.743 | 27% | 0.27 | S | S | * | . | trans | -97.2 | 145.3 | 176 | -56.3 | -53.2 | 177.9 | -165.8 | 0 | 110.5 | ||||
| 243 | Y | 97.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | trans | -130.6 | 144.9 | -178.5 | -65.1 | -90.2 | 0 | 0 | 0 | 108.9 | L198 P235 Q241 E247 | L198-Y243 HydrophobicContact CB-CD1 3.88Å; L198-Y243 HydrophobicContact CB-CD2 4.18Å; L198-Y243 HydrophobicContact CB-CE1 3.52Å; L198-Y243 HydrophobicContact CB-CE2 3.88Å; L198-Y243 HydrophobicContact CB-CG 4.17Å; L198-Y243 HydrophobicContact CD2-CD1 3.52Å; L198-Y243 HydrophobicContact CD2-CE1 3.87Å; L198-Y243 HydrophobicContact CD2-CG 4.03Å; L198-Y243 HydrophobicContact CG-CD1 4.33Å; L198-Y243 HydrophobicContact CG-CE1 4.34Å; L198-Y243 PolarHBondContact N-OH 3.48Å; P235-Y243 HydrophobicContact CB-CD2 3.81Å; P235-Y243 HydrophobicContact CB-CE2 3.88Å; P235-Y243 HydrophobicContact CG-CD2 3.79Å; P235-Y243 HydrophobicContact CG-CE2 4.37Å; Q241-Y243 HydrophobicContact CB-CE2 3.86Å; Q241-Y243 HydrophobicContact CG-CD2 4.35Å; Q241-Y243 HydrophobicContact CG-CE1 4.41Å; Q241-Y243 HydrophobicContact CG-CE2 3.66Å; Q241-Y243 PolarHBondContact NE2-OH 3.49Å; Q241-Y243 PolarHBondContact OE1-OH 2.9Å; Y243-E247 HydrophobicContact CD1-CB 4.43Å | ||
| 244 | S | 97.5 | Very high | 97.7 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 31% | 0.308 | 28% | 0.277 | S | S | . | . | trans | -73.7 | 158.2 | 171.8 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | Q246 E247 I248 | S244-Q246 PolarHBondContact O-N 2.92Å; S244-E247 WeakPolarHBondContact CB-OE2 3.33Å; S244-E247 PolarHBondContact N-OE2 3.4Å; S244-E247 PolarHBondContact O-N 3.23Å; S244-E247 VanDerWaalsContact O-N 3.12Å; S244-E247 VanDerWaalsContact OG-CG 3.3Å; S244-E247 WeakPolarHBondContact OG-CG 3.43Å; S244-E247 PolarHBondContact OG-N 3.25Å; S244-E247 PolarHBondContact OG-OE2 2.73Å; S244-I248 PolarHBondContact O-N 2.66Å; S244-I248 VanDerWaalsContact O-N 3.09Å | ||
| 245 | N | 97.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 50.9 Ų | 50.9 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -28.8 | 173.3 | -53.6 | -66.2 | 0 | 0 | 0 | 111.6 | A249 I281 N282 A285 | N245-A249 VanDerWaalsContact O-CB 3.22Å; N245-A249 WeakPolarHBondContact O-CB 3.38Å; N245-A249 PolarHBondContact O-N 2.93Å; N245-I281 HydrophobicContact CB-CG2 3.95Å; N245-I281 VanDerWaalsContact CG-CG2 3.44Å; N245-I281 WeakPolarHBondContact ND2-CG2 3.34Å; N245-N282 WeakPolarHBondContact CB-OD1 3.29Å; N245-N282 PolarHBondContact OD1-OD1 2.95Å; N245-A285 HydrophobicContact CB-CB 4.15Å |
| 246 | Q | 97.9 | Very high | 97.7 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68.5 | -38.6 | 175.3 | -72.3 | 72.5 | 20.9 | 0 | 0 | 112.1 | S244 A249 M250 | S244-Q246 PolarHBondContact O-N 2.92Å; Q246-A249 PolarHBondContact O-N 2.84Å; Q246-M250 WeakPolarHBondContact O-CB 3.02Å; Q246-M250 PolarHBondContact O-N 3.29Å |
| 247 | E | 98.5 | Very high | 97.8 | Very high | 91 Ų | 91 | 55 Ų | 55 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 174.1 | -73.2 | 164.6 | 111.7 | 0 | 0 | 111.4 | L198 Y243 S244 A249 M250 A251 | L198-E247 HydrophobicContact CD2-CB 4.04Å; Y243-E247 HydrophobicContact CD1-CB 4.43Å; S244-E247 WeakPolarHBondContact CB-OE2 3.33Å; S244-E247 PolarHBondContact N-OE2 3.4Å; S244-E247 PolarHBondContact O-N 3.23Å; S244-E247 VanDerWaalsContact O-N 3.12Å; S244-E247 VanDerWaalsContact OG-CG 3.3Å; S244-E247 WeakPolarHBondContact OG-CG 3.43Å; S244-E247 PolarHBondContact OG-N 3.25Å; S244-E247 PolarHBondContact OG-OE2 2.73Å; E247-A249 VanDerWaalsContact C-N 3.31Å; E247-A249 PolarHBondContact O-N 3.34Å; E247-M250 PolarHBondContact O-N 3.03Å; E247-A251 WeakPolarHBondContact O-CB 3.28Å; E247-A251 PolarHBondContact O-N 2.79Å |
| 248 | I | 98.8 | Very high | 98 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 172.7 | -71.1 | 170.1 | 0 | 0 | 0 | 110.3 | L198 T234 S244 A251 T252 N282 | L198-I248 HydrophobicContact CD1-CG1 4.34Å; T234-I248 HydrophobicContact CG2-CD1 4.43Å; T234-I248 HydrophobicContact CG2-CG2 4.08Å; S244-I248 PolarHBondContact O-N 2.66Å; S244-I248 VanDerWaalsContact O-N 3.09Å; I248-A251 PolarHBondContact O-N 2.86Å; I248-T252 VanDerWaalsContact O-CB 3.3Å; I248-T252 WeakPolarHBondContact O-CB 3.3Å; I248-T252 PolarHBondContact O-N 3.28Å; I248-T252 PolarHBondContact O-OG1 2.74Å; I248-N282 HydrophobicContact CG2-CB 4.48Å |
| 249 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N245 Q246 E247 T252 V253 A285 M286 | N245-A249 VanDerWaalsContact O-CB 3.22Å; N245-A249 WeakPolarHBondContact O-CB 3.38Å; N245-A249 PolarHBondContact O-N 2.93Å; Q246-A249 PolarHBondContact O-N 2.84Å; E247-A249 VanDerWaalsContact C-N 3.31Å; E247-A249 PolarHBondContact O-N 3.34Å; A249-T252 PolarHBondContact O-N 3.22Å; A249-V253 WeakPolarHBondContact O-CB 3.5Å; A249-V253 VanDerWaalsContact O-CG2 3.28Å; A249-V253 WeakPolarHBondContact O-CG2 3.41Å; A249-V253 PolarHBondContact O-N 3.09Å; A249-A285 VanDerWaalsContact CB-C 3.42Å; A249-A285 HydrophobicContact CB-CB 3.74Å; A249-M286 HydrophobicContact CB-CB 4.48Å; A249-M286 HydrophobicContact CB-CG 3.94Å |
| 250 | M | 98.8 | Very high | 98.2 | Very high | 74 Ų | 74 | 55.1 Ų | 55.1 | 37% | 0.365 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 178.4 | -177.4 | 58 | 68.5 | 0 | 0 | 111.5 | Q246 E247 T252 T254 P290 L291 | Q246-M250 WeakPolarHBondContact O-CB 3.02Å; Q246-M250 PolarHBondContact O-N 3.29Å; E247-M250 PolarHBondContact O-N 3.03Å; M250-T252 VanDerWaalsContact C-N 3.35Å; M250-T252 PolarHBondContact O-N 3.27Å; M250-T254 WeakPolarHBondContact O-CB 3.37Å; M250-T254 PolarHBondContact O-N 3.33Å; M250-T254 PolarHBondContact O-OG1 2.67Å; M250-P290 HydrophobicContact CE-CG 4.36Å; M250-L291 HydrophobicContact CE-CG 4.41Å; M250-L291 HydrophobicContact SD-CD1 3.57Å; M250-L291 VanDerWaalsContact SD-CD1 3.57Å; M250-L291 HydrophobicContact SD-CG 4.08Å |
| 251 | A | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L198 Q202 V233 E247 I248 T254 A255 | L198-A251 HydrophobicContact CD1-CB 4.09Å; L198-A251 HydrophobicContact CD2-CB 4.02Å; L198-A251 HydrophobicContact CG-CB 4Å; Q202-A251 HydrophobicContact CG-CB 4.46Å; V233-A251 HydrophobicContact CB-CB 4.18Å; V233-A251 HydrophobicContact CG1-CB 3.72Å; E247-A251 WeakPolarHBondContact O-CB 3.28Å; E247-A251 PolarHBondContact O-N 2.79Å; I248-A251 PolarHBondContact O-N 2.86Å; A251-T254 PolarHBondContact O-N 3.34Å; A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 3.16Å |
| 252 | T | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -52.4 | -180 | -54 | 0 | 0 | 0 | 0 | 111.9 | V233 I248 A249 M250 T254 A255 L256 F269 M286 | V233-T252 WeakPolarHBondContact CB-OG1 3.45Å; V233-T252 HydrophobicContact CG2-CG2 4.43Å; V233-T252 PolarHBondContact N-OG1 3.1Å; I248-T252 VanDerWaalsContact O-CB 3.3Å; I248-T252 WeakPolarHBondContact O-CB 3.3Å; I248-T252 PolarHBondContact O-N 3.28Å; I248-T252 PolarHBondContact O-OG1 2.74Å; A249-T252 PolarHBondContact O-N 3.22Å; M250-T252 VanDerWaalsContact C-N 3.35Å; M250-T252 PolarHBondContact O-N 3.27Å; T252-T254 VanDerWaalsContact C-N 3.26Å; T252-T254 PolarHBondContact O-N 3.48Å; T252-A255 PolarHBondContact O-N 3.28Å; T252-L256 HydrophobicContact CG2-CD1 4.48Å; T252-L256 WeakPolarHBondContact O-CG 3.44Å; T252-L256 PolarHBondContact O-N 2.78Å; T252-L256 VanDerWaalsContact O-N 3.08Å; T252-F269 HydrophobicContact CG2-CE1 3.51Å; T252-F269 HydrophobicContact CG2-CZ 3.45Å; T252-F269 VanDerWaalsContact CG2-CZ 3.45Å; T252-M286 HydrophobicContact CG2-SD 3.41Å; T252-M286 WeakPolarHBondContact CG2-SD 3.32Å |
| 253 | V | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -34.9 | -179.7 | 174.7 | 0 | 0 | 0 | 0 | 111 | A249 R257 M286 C289 L291 R293 I297 | A249-V253 WeakPolarHBondContact O-CB 3.5Å; A249-V253 VanDerWaalsContact O-CG2 3.28Å; A249-V253 WeakPolarHBondContact O-CG2 3.41Å; A249-V253 PolarHBondContact O-N 3.09Å; V253-R257 HydrophobicContact CG1-CG 4.31Å; V253-R257 WeakPolarHBondContact O-CB 3.44Å; V253-R257 WeakPolarHBondContact O-CG 3.14Å; V253-R257 PolarHBondContact O-N 2.69Å; V253-M286 HydrophobicContact CG2-CB 4.31Å; V253-M286 HydrophobicContact CG2-CG 4.37Å; V253-C289 HydrophobicContact CG2-CB 4.07Å; V253-L291 HydrophobicContact CG1-CB 3.94Å; V253-L291 HydrophobicContact CG1-CD1 4.26Å; V253-R293 HydrophobicContact CG1-CG 3.98Å; V253-I297 HydrophobicContact CG2-CD1 4.19Å |
| 254 | T | 98.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 174.7 | -62.5 | 0 | 0 | 0 | 0 | 112 | M250 A251 T252 L256 R257 R258 | M250-T254 WeakPolarHBondContact O-CB 3.37Å; M250-T254 PolarHBondContact O-N 3.33Å; M250-T254 PolarHBondContact O-OG1 2.67Å; A251-T254 PolarHBondContact O-N 3.34Å; T252-T254 VanDerWaalsContact C-N 3.26Å; T252-T254 PolarHBondContact O-N 3.48Å; T254-L256 VanDerWaalsContact C-N 3.34Å; T254-L256 PolarHBondContact O-N 2.76Å; T254-R257 PolarHBondContact O-N 3.3Å; T254-R258 WeakPolarHBondContact O-CG 3.5Å; T254-R258 PolarHBondContact O-N 2.99Å; T254-R258 VanDerWaalsContact O-N 3.11Å |
| 255 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q202 T205 E206 V233 A251 T252 R258 T259 | Q202-A255 HydrophobicContact CG-CB 4.04Å; T205-A255 HydrophobicContact CG2-CB 4.14Å; E206-A255 HydrophobicContact CG-CB 3.81Å; V233-A255 HydrophobicContact CG2-CB 4.01Å; A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 3.16Å; T252-A255 PolarHBondContact O-N 3.28Å; A255-R258 PolarHBondContact O-N 3.35Å; A255-T259 PolarHBondContact O-N 3.37Å; A255-T259 PolarHBondContact O-OG1 3.1Å |
| 256 | L | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 176 | -65.3 | 175.2 | 0 | 0 | 0 | 111.6 | L209 L228 P230 T252 T254 R258 T259 V260 I267 F269 W295 I297 | L209-L256 HydrophobicContact CD1-CD2 3.95Å; L228-L256 HydrophobicContact CD2-CD2 4.17Å; P230-L256 HydrophobicContact CG-CD2 4.33Å; T252-L256 HydrophobicContact CG2-CD1 4.48Å; T252-L256 WeakPolarHBondContact O-CG 3.44Å; T252-L256 PolarHBondContact O-N 2.78Å; T252-L256 VanDerWaalsContact O-N 3.08Å; T254-L256 VanDerWaalsContact C-N 3.34Å; T254-L256 PolarHBondContact O-N 2.76Å; L256-R258 PolarHBondContact O-N 3.06Å; L256-R258 VanDerWaalsContact O-N 3.13Å; L256-T259 PolarHBondContact O-N 3.31Å; L256-V260 HydrophobicContact CB-CG2 4.12Å; L256-V260 HydrophobicContact CD2-CG2 3.69Å; L256-V260 WeakPolarHBondContact O-CB 3.39Å; L256-V260 PolarHBondContact O-N 3.16Å; L256-I267 HydrophobicContact CD1-CG1 4.27Å; L256-I267 HydrophobicContact CD1-CG2 4.17Å; L256-I267 HydrophobicContact CD2-CG2 4.29Å; L256-F269 HydrophobicContact CD1-CE2 4.34Å; L256-F269 HydrophobicContact CD1-CZ 3.72Å; L256-W295 HydrophobicContact CB-CZ3 3.9Å; L256-I297 HydrophobicContact CD1-CD1 4.47Å |
| 257 | R | 98.8 | Very high | 98.8 | Very high | 112 Ų | 112 | 33.3 Ų | 33.3 | 42% | 0.423 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.1 | -27.8 | 178.8 | -77.2 | 172.3 | 58.1 | 68.1 | 6.3 | 113.9 | V253 T254 H292 | V253-R257 HydrophobicContact CG1-CG 4.31Å; V253-R257 WeakPolarHBondContact O-CB 3.44Å; V253-R257 WeakPolarHBondContact O-CG 3.14Å; V253-R257 PolarHBondContact O-N 2.69Å; T254-R257 PolarHBondContact O-N 3.3Å; R257-H292 WeakPolarHBondContact CD-O 3.27Å; R257-H292 PolarHBondContact NH1-O 2.94Å |
| 258 | R | 98.9 | Very high | 98.9 | Very high | 160 Ų | 160 | 29 Ų | 29 | 60% | 0.604 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -82.5 | -15.7 | 178.9 | -74.9 | 171.5 | 173.5 | 176 | -1.1 | 113.8 | E206 T254 A255 L256 | E206-R258 VanDerWaalsContact CD-CD 3.48Å; E206-R258 WeakPolarHBondContact OE1-CD 3.42Å; E206-R258 IonicContact OE1-CZ 3.47Å; E206-R258 IonicContact OE1-NE 3.66Å; E206-R258 IonicContact OE1-NH1 2.73Å; E206-R258 PolarHBondContact OE1-NH1 3.26Å; E206-R258 IonicContact OE2-NH1 3.68Å; E206-R258 PolarHBondContact OE2-NH1 3.06Å; T254-R258 WeakPolarHBondContact O-CG 3.5Å; T254-R258 PolarHBondContact O-N 2.99Å; T254-R258 VanDerWaalsContact O-N 3.11Å; A255-R258 PolarHBondContact O-N 3.35Å; L256-R258 PolarHBondContact O-N 3.06Å; L256-R258 VanDerWaalsContact O-N 3.13Å |
| 259 | T | 98.9 | Very high | 98.9 | Very high | 20 Ų | 20 | 28.5 Ų | 28.5 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -135.3 | -32 | -164.6 | 57.1 | 0 | 0 | 0 | 0 | 115.5 | E206 L209 A210 Y213 A255 L256 | E206-T259 HydrophobicContact CB-CG2 4.14Å; E206-T259 HydrophobicContact CG-CG2 4.35Å; E206-T259 WeakPolarHBondContact O-CG2 3.43Å; L209-T259 HydrophobicContact CB-CG2 4.25Å; L209-T259 WeakPolarHBondContact CB-OG1 3.39Å; A210-T259 HydrophobicContact CB-CG2 4.39Å; Y213-T259 WeakPolarHBondContact CD2-O 3.43Å; A255-T259 PolarHBondContact O-N 3.37Å; A255-T259 PolarHBondContact O-OG1 3.1Å; L256-T259 PolarHBondContact O-N 3.31Å |
| 260 | V | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -86.8 | 129.5 | -177.7 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | L209 Y213 L228 L256 V264 I267 W295 | L209-V260 HydrophobicContact CD1-CG2 4.45Å; Y213-V260 HydrophobicContact CE2-CB 4.1Å; Y213-V260 HydrophobicContact CE2-CG1 4.14Å; Y213-V260 HydrophobicContact CE2-CG2 3.76Å; L228-V260 HydrophobicContact CD2-CG2 4Å; L256-V260 HydrophobicContact CB-CG2 4.12Å; L256-V260 HydrophobicContact CD2-CG2 3.69Å; L256-V260 WeakPolarHBondContact O-CB 3.39Å; L256-V260 PolarHBondContact O-N 3.16Å; V260-V264 HydrophobicContact CG1-CB 4.03Å; V260-V264 HydrophobicContact CG1-CG1 4.5Å; V260-V264 HydrophobicContact CG1-CG2 3.9Å; V260-I267 HydrophobicContact CG1-CD1 4.03Å; V260-W295 HydrophobicContact CB-CD2 4.49Å; V260-W295 HydrophobicContact CB-CH2 3.66Å; V260-W295 HydrophobicContact CB-CZ2 3.6Å; V260-W295 HydrophobicContact CB-CZ3 4.13Å; V260-W295 HydrophobicContact CG1-CD2 3.94Å; V260-W295 VanDerWaalsContact CG1-CE2 3.45Å; V260-W295 HydrophobicContact CG1-CE3 4.4Å; V260-W295 HydrophobicContact CG1-CH2 4.09Å; V260-W295 HydrophobicContact CG1-CZ2 3.6Å; V260-W295 HydrophobicContact CG1-CZ3 4.46Å; V260-W295 WeakPolarHBondContact O-CH2 3.4Å; V260-W295 WeakPolarHBondContact O-CZ2 3.46Å |
| 261 | P | 98.9 | Very high | 98.7 | Very high | 41 Ų | 41 | 25.7 Ų | 25.7 | 27% | 0.266 | 13% | 0.133 | S | C | . | . | trans | -72.5 | 144.3 | 171.8 | -22.8 | 36 | 0 | 0 | 0 | 112.6 | Y213 L223 A263 V264 W295 | Y213-P261 HydrophobicContact CD1-CG 3.94Å; Y213-P261 HydrophobicContact CE1-CG 4.44Å; Y213-P261 HydrophobicContact CG-CG 4.25Å; L223-P261 HydrophobicContact CD1-CB 3.91Å; L223-P261 HydrophobicContact CD1-CG 3.78Å; P261-A263 PolarHBondContact O-N 2.93Å; P261-V264 PolarHBondContact O-N 2.62Å; P261-W295 PolarHBondContact O-NE1 3.16Å | ||
| 262 | P | 98.9 | Very high | 98.4 | Very high | 96 Ų | 96 | 26 Ų | 26 | 62% | 0.623 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.3 | 179.7 | 24.2 | -34.1 | 0 | 0 | 0 | 114.8 | V264 P294 | P262-V264 VanDerWaalsContact C-N 3.27Å; P262-V264 PolarHBondContact O-N 3.44Å; P262-P294 HydrophobicContact CB-CB 3.97Å; P262-P294 HydrophobicContact CB-CG 4.04Å |
| 263 | A | 98.9 | Very high | 98 | Very high | 36 Ų | 36 | 26.4 Ų | 26.4 | 30% | 0.298 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L223 E224 P261 P265 | L223-A263 HydrophobicContact CB-CB 4.06Å; E224-A263 WeakPolarHBondContact CA-O 3.35Å; E224-A263 HydrophobicContact CG-CB 4.16Å; P261-A263 PolarHBondContact O-N 2.93Å; A263-P265 WeakPolarHBondContact O-CD 3.45Å |
| 264 | V | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | trans | -67.2 | 123.8 | 179.1 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | Y213 L223 V260 P261 P262 G266 I267 | Y213-V264 HydrophobicContact CE1-CG2 3.57Å; L223-V264 HydrophobicContact CB-CG2 4.24Å; L223-V264 HydrophobicContact CD1-CG2 4.49Å; V260-V264 HydrophobicContact CG1-CB 4.03Å; V260-V264 HydrophobicContact CG1-CG1 4.5Å; V260-V264 HydrophobicContact CG1-CG2 3.9Å; P261-V264 PolarHBondContact O-N 2.62Å; P262-V264 VanDerWaalsContact C-N 3.27Å; P262-V264 PolarHBondContact O-N 3.44Å; V264-G266 PolarHBondContact O-N 3.29Å; V264-I267 HydrophobicContact CG1-CD1 4.14Å | ||
| 265 | P | 98.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 7% | 0.065 | 14% | 0.141 | C | C | . | . | trans | -63.1 | -39 | -176.8 | -26.2 | 35.7 | 0 | 0 | 0 | 114.2 | A20 V24 L223 E224 T226 L227 A263 A296 | A20-P265 HydrophobicContact CB-CB 4.28Å; A20-P265 HydrophobicContact CB-CG 3.87Å; V24-P265 HydrophobicContact CG2-CB 4.4Å; L223-P265 WeakPolarHBondContact O-CD 3.4Å; E224-P265 WeakPolarHBondContact O-CG 3.49Å; T226-P265 VanDerWaalsContact O-CD 3.26Å; T226-P265 WeakPolarHBondContact O-CD 3.42Å; L227-P265 HydrophobicContact CD2-CB 4.22Å; A263-P265 WeakPolarHBondContact O-CD 3.45Å; P265-A296 PolarHBondContact O-N 3.13Å; P265-A296 VanDerWaalsContact O-N 3.08Å | ||
| 266 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 155 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L228 V264 A296 | L228-G266 PolarHBondContact N-O 3.08Å; V264-G266 PolarHBondContact O-N 3.29Å; G266-A296 CarbonylContact C-O 3.52Å; G266-A296 WeakPolarHBondContact CA-O 3.38Å |
| 267 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.9 | 176.4 | -43.9 | -57.7 | 0 | 0 | 0 | 107.6 | L228 P230 L256 V260 V264 F269 W295 A296 T298 | L228-I267 HydrophobicContact CB-CD1 3.84Å; L228-I267 HydrophobicContact CD2-CD1 4.02Å; L228-I267 HydrophobicContact CD2-CG2 4.5Å; L228-I267 CarbonylContact O-C 3.39Å; L228-I267 WeakPolarHBondContact O-CA 3.35Å; P230-I267 HydrophobicContact CG-CG2 3.54Å; L256-I267 HydrophobicContact CD1-CG1 4.27Å; L256-I267 HydrophobicContact CD1-CG2 4.17Å; L256-I267 HydrophobicContact CD2-CG2 4.29Å; V260-I267 HydrophobicContact CG1-CD1 4.03Å; V264-I267 HydrophobicContact CG1-CD1 4.14Å; I267-F269 HydrophobicContact CB-CE2 4.31Å; I267-F269 HydrophobicContact CG2-CD2 4.13Å; I267-F269 HydrophobicContact CG2-CE1 4.39Å; I267-F269 HydrophobicContact CG2-CE2 3.71Å; I267-F269 HydrophobicContact CG2-CZ 3.89Å; I267-W295 HydrophobicContact CD1-CD2 4.48Å; I267-W295 HydrophobicContact CD1-CG 4.47Å; I267-W295 HydrophobicContact CG1-CB 4.14Å; I267-W295 HydrophobicContact CG1-CE3 4.38Å; I267-W295 HydrophobicContact CG1-CG 4.45Å; I267-A296 PolarHBondContact N-O 3.31Å; I267-T298 PolarHBondContact O-N 2.81Å |
| 268 | T | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 84.8 | -175.1 | 59.9 | 0 | 0 | 0 | 0 | 109.1 | V24 I30 L227 L228 K229 T298 S300 | V24-T268 HydrophobicContact CG1-CG2 3.68Å; I30-T268 HydrophobicContact CD1-CG2 3.76Å; I30-T268 HydrophobicContact CG1-CG2 4.46Å; L227-T268 HydrophobicContact CD1-CG2 4.26Å; L228-T268 PolarHBondContact O-N 3.34Å; L228-T268 PolarHBondContact O-OG1 3.08Å; K229-T268 WeakPolarHBondContact CA-O 3.33Å; K229-T268 WeakPolarHBondContact CB-O 3.2Å; K229-T268 VanDerWaalsContact CG-O 3.24Å; K229-T268 WeakPolarHBondContact CG-O 3.36Å; T268-T298 CarbonylContact C-O 3.59Å; T268-T298 WeakPolarHBondContact CA-O 3.34Å; T268-T298 HydrophobicContact CG2-CG2 3.66Å; T268-S300 WeakPolarHBondContact O-CB 3.27Å |
| 269 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 139.1 | -170.1 | -77.3 | -83.5 | 0 | 0 | 0 | 113.4 | P230 M232 T252 L256 I267 L283 M286 I297 T298 S300 Y301 | P230-F269 HydrophobicContact CG-CD1 3.94Å; P230-F269 HydrophobicContact CG-CE1 3.75Å; P230-F269 HydrophobicContact CG-CZ 4.39Å; M232-F269 HydrophobicContact CB-CD1 4.38Å; M232-F269 HydrophobicContact CB-CE1 4.49Å; M232-F269 HydrophobicContact CE-CB 4.04Å; M232-F269 HydrophobicContact CE-CG 4.32Å; M232-F269 HydrophobicContact CG-CB 4.4Å; M232-F269 HydrophobicContact CG-CD1 3.52Å; M232-F269 HydrophobicContact CG-CE1 3.94Å; M232-F269 HydrophobicContact CG-CG 4.06Å; T252-F269 HydrophobicContact CG2-CE1 3.51Å; T252-F269 HydrophobicContact CG2-CZ 3.45Å; T252-F269 VanDerWaalsContact CG2-CZ 3.45Å; L256-F269 HydrophobicContact CD1-CE2 4.34Å; L256-F269 HydrophobicContact CD1-CZ 3.72Å; I267-F269 HydrophobicContact CB-CE2 4.31Å; I267-F269 HydrophobicContact CG2-CD2 4.13Å; I267-F269 HydrophobicContact CG2-CE1 4.39Å; I267-F269 HydrophobicContact CG2-CE2 3.71Å; I267-F269 HydrophobicContact CG2-CZ 3.89Å; F269-L283 HydrophobicContact CD2-CD1 4.49Å; F269-M286 HydrophobicContact CD1-CE 4.33Å; F269-M286 HydrophobicContact CD2-CE 3.57Å; F269-M286 HydrophobicContact CD2-SD 4.32Å; F269-M286 HydrophobicContact CE1-CE 4.27Å; F269-M286 HydrophobicContact CE1-SD 4.1Å; F269-M286 HydrophobicContact CE2-CE 3.51Å; F269-M286 HydrophobicContact CE2-SD 3.65Å; F269-M286 HydrophobicContact CG-CE 3.98Å; F269-M286 HydrophobicContact CZ-CE 3.85Å; F269-M286 HydrophobicContact CZ-SD 3.5Å; F269-M286 WeakPolarHBondContact CZ-SD 3.42Å; F269-I297 HydrophobicContact CD2-CG2 4.03Å; F269-I297 HydrophobicContact CE2-CG2 3.61Å; F269-T298 PolarHBondContact N-O 3.22Å; F269-S300 CarbonylContact O-C 3.49Å; F269-S300 PolarHBondContact O-N 3.03Å; F269-Y301 HydrophobicContact CB-CE1 4.37Å; F269-Y301 WeakPolarHBondContact O-CD1 3.49Å; F269-Y301 WeakPolarHBondContact O-CE1 3.25Å |
| 270 | L | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 16.4 Ų | 16.4 | 5% | 0.052 | 10% | 0.104 | C | C | . | . | trans | -74.6 | 147.6 | 160.1 | 63.7 | 91 | 0 | 0 | 0 | 109.6 | E187 E189 K229 P230 N231 G272 | E187-L270 HydrophobicContact CG-CD2 4.18Å; E189-L270 HydrophobicContact CB-CD2 3.64Å; E189-L270 HydrophobicContact CG-CD1 4.11Å; E189-L270 HydrophobicContact CG-CD2 3.59Å; K229-L270 HydrophobicContact CG-CB 4.13Å; K229-L270 HydrophobicContact CG-CD2 4.46Å; P230-L270 WeakPolarHBondContact O-CG 3.12Å; P230-L270 PolarHBondContact O-N 3.42Å; N231-L270 HydrophobicContact CB-CD1 4.18Å; L270-G272 VanDerWaalsContact CD1-N 3.31Å | ||
| 271 | S | 96.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | trans | -82.3 | -17.5 | 177 | 64.8 | 0 | 0 | 0 | 0 | 113 | G273 Q274 A304 | S271-G273 PolarHBondContact O-N 3.28Å; S271-Q274 VanDerWaalsContact O-CB 3.29Å; S271-Q274 WeakPolarHBondContact O-CB 3.37Å; S271-Q274 WeakPolarHBondContact O-CG 3.49Å; S271-Q274 PolarHBondContact O-N 3.06Å; S271-Q274 VanDerWaalsContact O-N 3.1Å; S271-Q274 PolarHBondContact O-NE2 2.95Å; S271-A304 VanDerWaalsContact CB-CB 3.44Å | ||
| 272 | G | 92.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 16.4 Ų | 16.4 | 10% | 0.103 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -132 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L270 R303 | L270-G272 VanDerWaalsContact CD1-N 3.31Å; G272-R303 VanDerWaalsContact C-NH2 3.31Å; G272-R303 VanDerWaalsContact O-CZ 3.29Å; G272-R303 PolarHBondContact O-NE 2.85Å; G272-R303 PolarHBondContact O-NH2 3.15Å |
| 273 | G | 88.9 | Confident | 97.1 | Very high | 11 Ų | 11 | 11.8 Ų | 11.8 | 11% | 0.113 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S271 L356 Y357 | S271-G273 PolarHBondContact O-N 3.28Å; G273-L356 CarbonylContact O-C 3.6Å; G273-L356 WeakPolarHBondContact O-CA 3.42Å; G273-L356 PolarHBondContact O-N 3.32Å; G273-Y357 PolarHBondContact O-N 3.24Å |
| 274 | Q | 94 | Very high | 97.1 | Very high | 18 Ų | 18 | 10.7 Ų | 10.7 | 8% | 0.084 | 6% | 0.06 | C | C | . | . | trans | -60.3 | 147.2 | 179.9 | -66.6 | 175.2 | 68.8 | 0 | 0 | 110.9 | M232 S271 E278 A279 N282 L356 | M232-Q274 PolarHBondContact SD-NE2 2.84Å; M232-Q274 VanDerWaalsContact SD-NE2 3.41Å; S271-Q274 VanDerWaalsContact O-CB 3.29Å; S271-Q274 WeakPolarHBondContact O-CB 3.37Å; S271-Q274 WeakPolarHBondContact O-CG 3.49Å; S271-Q274 PolarHBondContact O-N 3.06Å; S271-Q274 VanDerWaalsContact O-N 3.1Å; S271-Q274 PolarHBondContact O-NE2 2.95Å; Q274-E278 WeakPolarHBondContact CA-OE2 3.39Å; Q274-E278 HydrophobicContact CB-CB 4.27Å; Q274-E278 HydrophobicContact CB-CG 4.16Å; Q274-E278 HydrophobicContact CG-CG 4.15Å; Q274-A279 HydrophobicContact CB-CB 4.15Å; Q274-N282 PolarHBondContact OE1-ND2 3.28Å; Q274-L356 WeakPolarHBondContact O-CB 3.46Å; Q274-L356 VanDerWaalsContact O-CD1 3.3Å; Q274-L356 WeakPolarHBondContact O-CD1 3.43Å | ||
| 275 | S | 96 | Very high | 97.1 | Very high | 12 Ų | 12 | 10.9 Ų | 10.9 | 8% | 0.084 | 6% | 0.062 | C | C | . | . | trans | -60.5 | 162.5 | 167.1 | 68.1 | 0 | 0 | 0 | 0 | 111 | E277 E278 A279 G352 E354 | S275-E277 VanDerWaalsContact C-N 3.25Å; S275-E277 PolarHBondContact O-N 3.45Å; S275-E278 PolarHBondContact N-OE2 3.34Å; S275-E278 PolarHBondContact O-N 3.36Å; S275-E278 WeakPolarHBondContact OG-CB 3.4Å; S275-E278 PolarHBondContact OG-N 3.3Å; S275-E278 VanDerWaalsContact OG-N 3.12Å; S275-A279 WeakPolarHBondContact O-CB 3.32Å; S275-A279 PolarHBondContact O-N 2.85Å; S275-G352 WeakPolarHBondContact CB-O 3.4Å; S275-G352 PolarHBondContact OG-O 3.13Å; S275-E354 VanDerWaalsContact CA-O 3.28Å; S275-E354 WeakPolarHBondContact CA-O 3.39Å; S275-E354 WeakPolarHBondContact CB-O 3.16Å | ||
| 276 | E | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.5 | -45.2 | 178 | -55.9 | -178.2 | 132.4 | 0 | 0 | 110.3 | A279 S280 A307 S308 R330 G352 L356 | E276-A279 PolarHBondContact O-N 3.1Å; E276-S280 PolarHBondContact O-N 2.97Å; E276-A307 HydrophobicContact CG-CB 4.01Å; E276-A307 PolarHBondContact OE1-N 3Å; E276-S308 PolarHBondContact OE1-N 3.4Å; E276-S308 VanDerWaalsContact OE2-CB 3.27Å; E276-S308 WeakPolarHBondContact OE2-CB 3.39Å; E276-S308 PolarHBondContact OE2-OG 3.23Å; E276-R330 PolarHBondContact O-NH2 3.19Å; E276-G352 PolarHBondContact N-O 3.1Å; E276-G352 WeakPolarHBondContact OE2-CA 3.16Å; E276-L356 HydrophobicContact CG-CD1 4.08Å |
| 277 | E | 96 | Very high | 97.1 | Very high | 8 Ų | 8 | 11.7 Ų | 11.7 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.1 | -46.3 | -178.1 | -171.6 | 62.6 | -175 | 0 | 0 | 112.9 | S275 A279 S280 I281 R330 Y342 S344 G352 | S275-E277 VanDerWaalsContact C-N 3.25Å; S275-E277 PolarHBondContact O-N 3.45Å; E277-A279 VanDerWaalsContact C-N 3.3Å; E277-A279 PolarHBondContact O-N 3.19Å; E277-S280 PolarHBondContact O-N 3.14Å; E277-S280 VanDerWaalsContact O-N 3.14Å; E277-I281 HydrophobicContact CG-CD1 3.83Å; E277-I281 HydrophobicContact CG-CG1 4.43Å; E277-I281 WeakPolarHBondContact O-CG1 3.33Å; E277-I281 PolarHBondContact O-N 3.07Å; E277-R330 IonicContact OE2-CZ 3.68Å; E277-R330 IonicContact OE2-NH1 3.72Å; E277-R330 PolarHBondContact OE2-NH1 3.06Å; E277-R330 IonicContact OE2-NH2 2.78Å; E277-R330 PolarHBondContact OE2-NH2 3.41Å; E277-Y342 VanDerWaalsContact CD-OH 3.29Å; E277-Y342 PolarHBondContact OE1-OH 2.79Å; E277-Y342 PolarHBondContact OE2-OH 2.94Å; E277-S344 VanDerWaalsContact OE1-CB 3.32Å; E277-S344 WeakPolarHBondContact OE1-CB 3.3Å; E277-S344 PolarHBondContact OE1-OG 3.5Å; E277-G352 WeakPolarHBondContact CB-O 3.37Å; E277-G352 PolarHBondContact N-O 3.01Å |
| 278 | E | 95.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 16.7 Ų | 16.7 | 36% | 0.355 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -58 | -43.5 | 176.3 | -178.4 | -177.8 | -164.3 | 0 | 0 | 111.5 | Q274 S275 S280 I281 N282 | Q274-E278 WeakPolarHBondContact CA-OE2 3.39Å; Q274-E278 HydrophobicContact CB-CB 4.27Å; Q274-E278 HydrophobicContact CB-CG 4.16Å; Q274-E278 HydrophobicContact CG-CG 4.15Å; S275-E278 PolarHBondContact N-OE2 3.34Å; S275-E278 PolarHBondContact O-N 3.36Å; S275-E278 WeakPolarHBondContact OG-CB 3.4Å; S275-E278 PolarHBondContact OG-N 3.3Å; S275-E278 VanDerWaalsContact OG-N 3.12Å; E278-S280 VanDerWaalsContact C-N 3.28Å; E278-S280 PolarHBondContact O-N 3.37Å; E278-I281 PolarHBondContact O-N 3.42Å; E278-N282 WeakPolarHBondContact CG-ND2 3.29Å; E278-N282 WeakPolarHBondContact O-CB 3.48Å; E278-N282 PolarHBondContact O-N 3.44Å; E278-N282 PolarHBondContact O-ND2 2.99Å |
| 279 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.9 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q274 S275 E276 E277 L283 Y301 A304 | Q274-A279 HydrophobicContact CB-CB 4.15Å; S275-A279 WeakPolarHBondContact O-CB 3.32Å; S275-A279 PolarHBondContact O-N 2.85Å; E276-A279 PolarHBondContact O-N 3.1Å; E277-A279 VanDerWaalsContact C-N 3.3Å; E277-A279 PolarHBondContact O-N 3.19Å; A279-L283 VanDerWaalsContact O-CB 3.24Å; A279-L283 WeakPolarHBondContact O-CB 3.32Å; A279-L283 PolarHBondContact O-N 3.11Å; A279-Y301 HydrophobicContact CB-CD2 4.41Å; A279-Y301 HydrophobicContact CB-CE2 3.66Å; A279-Y301 PolarHBondContact O-OH 3.33Å; A279-A304 HydrophobicContact CB-CB 3.73Å |
| 280 | S | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -75.9 | -41.7 | 174.1 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | E276 E277 E278 L283 N284 R330 N334 A337 | E276-S280 PolarHBondContact O-N 2.97Å; E277-S280 PolarHBondContact O-N 3.14Å; E277-S280 VanDerWaalsContact O-N 3.14Å; E278-S280 VanDerWaalsContact C-N 3.28Å; E278-S280 PolarHBondContact O-N 3.37Å; S280-L283 PolarHBondContact O-N 3.46Å; S280-N284 VanDerWaalsContact O-CB 3.28Å; S280-N284 WeakPolarHBondContact O-CB 3.41Å; S280-N284 PolarHBondContact O-N 2.91Å; S280-R330 PolarHBondContact OG-NH2 2.99Å; S280-N334 VanDerWaalsContact OG-CG 3.25Å; S280-N334 PolarHBondContact OG-ND2 3.36Å; S280-N334 PolarHBondContact OG-OD1 3.32Å; S280-A337 WeakPolarHBondContact O-CB 3.36Å |
| 281 | I | 97.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 24.7 Ų | 24.7 | 25% | 0.251 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 179.4 | -67.4 | 171.5 | 0 | 0 | 0 | 110.5 | N245 E277 E278 N284 A285 Y342 | N245-I281 HydrophobicContact CB-CG2 3.95Å; N245-I281 VanDerWaalsContact CG-CG2 3.44Å; N245-I281 WeakPolarHBondContact ND2-CG2 3.34Å; E277-I281 HydrophobicContact CG-CD1 3.83Å; E277-I281 HydrophobicContact CG-CG1 4.43Å; E277-I281 WeakPolarHBondContact O-CG1 3.33Å; E277-I281 PolarHBondContact O-N 3.07Å; E278-I281 PolarHBondContact O-N 3.42Å; I281-N284 PolarHBondContact O-N 3.46Å; I281-A285 WeakPolarHBondContact O-CB 3.1Å; I281-A285 PolarHBondContact O-N 3.48Å; I281-Y342 HydrophobicContact CG1-CE1 4.14Å |
| 282 | N | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.5 | -78 | -34.4 | 0 | 0 | 0 | 111.8 | M232 N245 I248 Q274 E278 N284 A285 M286 | M232-N282 HydrophobicContact CE-CB 4.28Å; M232-N282 HydrophobicContact SD-CB 3.57Å; M232-N282 VanDerWaalsContact SD-CB 3.57Å; N245-N282 WeakPolarHBondContact CB-OD1 3.29Å; N245-N282 PolarHBondContact OD1-OD1 2.95Å; I248-N282 HydrophobicContact CG2-CB 4.48Å; Q274-N282 PolarHBondContact OE1-ND2 3.28Å; E278-N282 WeakPolarHBondContact CG-ND2 3.29Å; E278-N282 WeakPolarHBondContact O-CB 3.48Å; E278-N282 PolarHBondContact O-N 3.44Å; E278-N282 PolarHBondContact O-ND2 2.99Å; N282-N284 VanDerWaalsContact C-N 3.3Å; N282-N284 PolarHBondContact O-N 2.93Å; N282-A285 PolarHBondContact O-N 3.42Å; N282-M286 WeakPolarHBondContact O-CG 3.29Å; N282-M286 PolarHBondContact O-N 2.95Å |
| 283 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 174.8 | 179.4 | 62.2 | 0 | 0 | 0 | 112.3 | M232 F269 A279 S280 M286 N287 I297 F299 A337 C338 | M232-L283 HydrophobicContact CE-CB 4.34Å; F269-L283 HydrophobicContact CD2-CD1 4.49Å; A279-L283 VanDerWaalsContact O-CB 3.24Å; A279-L283 WeakPolarHBondContact O-CB 3.32Å; A279-L283 PolarHBondContact O-N 3.11Å; S280-L283 PolarHBondContact O-N 3.46Å; L283-M286 HydrophobicContact CB-CE 4.45Å; L283-M286 HydrophobicContact CD1-CE 3.96Å; L283-M286 PolarHBondContact O-N 3.33Å; L283-N287 PolarHBondContact O-N 2.89Å; L283-N287 VanDerWaalsContact O-N 3.16Å; L283-N287 PolarHBondContact O-ND2 3.45Å; L283-I297 HydrophobicContact CD1-CG2 3.79Å; L283-F299 HydrophobicContact CD2-CB 3.95Å; L283-F299 HydrophobicContact CD2-CD1 3.84Å; L283-F299 HydrophobicContact CD2-CG 4.34Å; L283-A337 HydrophobicContact CB-CB 4.17Å; L283-A337 HydrophobicContact CD2-CB 4.01Å; L283-A337 HydrophobicContact CG-CB 4.07Å; L283-C338 HydrophobicContact CD2-CB 4.2Å |
| 284 | N | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -47.3 | 176.1 | -174.2 | 73.7 | 0 | 0 | 0 | 111.7 | S280 I281 N282 M286 N287 Q288 A337 G340 K341 Y342 | S280-N284 VanDerWaalsContact O-CB 3.28Å; S280-N284 WeakPolarHBondContact O-CB 3.41Å; S280-N284 PolarHBondContact O-N 2.91Å; I281-N284 PolarHBondContact O-N 3.46Å; N282-N284 VanDerWaalsContact C-N 3.3Å; N282-N284 PolarHBondContact O-N 2.93Å; N284-M286 VanDerWaalsContact C-N 3.28Å; N284-M286 PolarHBondContact O-N 2.75Å; N284-N287 CarbonylContact O-C 3.1Å; N284-N287 PolarHBondContact O-N 2.92Å; N284-N287 VanDerWaalsContact O-N 3.07Å; N284-Q288 PolarHBondContact ND2-NE2 3.29Å; N284-Q288 PolarHBondContact ND2-OE1 2.92Å; N284-Q288 WeakPolarHBondContact O-CG 3.43Å; N284-Q288 PolarHBondContact O-N 3.43Å; N284-A337 WeakPolarHBondContact CA-O 3.17Å; N284-A337 HydrophobicContact CB-CB 3.94Å; N284-G340 WeakPolarHBondContact OD1-CA 3.21Å; N284-G340 PolarHBondContact OD1-O 3.06Å; N284-K341 PolarHBondContact OD1-N 3.24Å; N284-K341 VanDerWaalsContact OD1-N 3.14Å; N284-Y342 HydrophobicContact CB-CD1 4.49Å; N284-Y342 PolarHBondContact ND2-O 2.8Å; N284-Y342 WeakPolarHBondContact OD1-CB 3.47Å; N284-Y342 PolarHBondContact OD1-N 3.37Å; N284-Y342 PolarHBondContact OD1-O 3.08Å |
| 285 | A | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 5% | 0.05 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N245 A249 I281 N282 N287 Q288 C289 | N245-A285 HydrophobicContact CB-CB 4.15Å; A249-A285 VanDerWaalsContact CB-C 3.42Å; A249-A285 HydrophobicContact CB-CB 3.74Å; I281-A285 WeakPolarHBondContact O-CB 3.1Å; I281-A285 PolarHBondContact O-N 3.48Å; N282-A285 PolarHBondContact O-N 3.42Å; A285-N287 VanDerWaalsContact C-N 3.31Å; A285-N287 PolarHBondContact O-N 3.43Å; A285-Q288 CarbonylContact O-C 3.53Å; A285-Q288 PolarHBondContact O-N 3.46Å; A285-C289 PolarHBondContact O-N 2.8Å |
| 286 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -37.2 | 173.9 | -76.3 | -168.1 | -65 | 0 | 0 | 113.1 | M232 A249 T252 V253 F269 N282 L283 N284 C289 R293 I297 | M232-M286 HydrophobicContact CE-CE 3.52Å; M232-M286 HydrophobicContact CG-CE 3.89Å; M232-M286 HydrophobicContact CG-SD 4.38Å; M232-M286 HydrophobicContact SD-CE 3.72Å; A249-M286 HydrophobicContact CB-CB 4.48Å; A249-M286 HydrophobicContact CB-CG 3.94Å; T252-M286 HydrophobicContact CG2-SD 3.41Å; T252-M286 WeakPolarHBondContact CG2-SD 3.32Å; V253-M286 HydrophobicContact CG2-CB 4.31Å; V253-M286 HydrophobicContact CG2-CG 4.37Å; F269-M286 HydrophobicContact CD1-CE 4.33Å; F269-M286 HydrophobicContact CD2-CE 3.57Å; F269-M286 HydrophobicContact CD2-SD 4.32Å; F269-M286 HydrophobicContact CE1-CE 4.27Å; F269-M286 HydrophobicContact CE1-SD 4.1Å; F269-M286 HydrophobicContact CE2-CE 3.51Å; F269-M286 HydrophobicContact CE2-SD 3.65Å; F269-M286 HydrophobicContact CG-CE 3.98Å; F269-M286 HydrophobicContact CZ-CE 3.85Å; F269-M286 HydrophobicContact CZ-SD 3.5Å; F269-M286 WeakPolarHBondContact CZ-SD 3.42Å; N282-M286 WeakPolarHBondContact O-CG 3.29Å; N282-M286 PolarHBondContact O-N 2.95Å; L283-M286 HydrophobicContact CB-CE 4.45Å; L283-M286 HydrophobicContact CD1-CE 3.96Å; L283-M286 PolarHBondContact O-N 3.33Å; N284-M286 VanDerWaalsContact C-N 3.28Å; N284-M286 PolarHBondContact O-N 2.75Å; M286-C289 WeakPolarHBondContact O-CB 3.36Å; M286-R293 PolarHBondContact O-NH1 2.94Å; M286-I297 HydrophobicContact CB-CG2 4.19Å; M286-I297 HydrophobicContact CE-CG2 4.33Å |
| 287 | N | 98.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 14% | 0.139 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -80.2 | -19 | 176.6 | -81.5 | -71.9 | 0 | 0 | 0 | 113.8 | L283 N284 A285 R293 I297 A337 C338 | L283-N287 PolarHBondContact O-N 2.89Å; L283-N287 VanDerWaalsContact O-N 3.16Å; L283-N287 PolarHBondContact O-ND2 3.45Å; N284-N287 CarbonylContact O-C 3.1Å; N284-N287 PolarHBondContact O-N 2.92Å; N284-N287 VanDerWaalsContact O-N 3.07Å; A285-N287 VanDerWaalsContact C-N 3.31Å; A285-N287 PolarHBondContact O-N 3.43Å; N287-R293 PolarHBondContact O-NH1 3.34Å; N287-R293 PolarHBondContact O-NH2 3.29Å; N287-I297 PolarHBondContact ND2-O 3.31Å; N287-A337 PolarHBondContact ND2-O 2.92Å; N287-C338 VanDerWaalsContact CG-O 3.3Å; N287-C338 WeakPolarHBondContact ND2-CA 3.46Å; N287-C338 PolarHBondContact ND2-O 3.38Å; N287-C338 PolarHBondContact OD1-O 3.06Å |
| 288 | Q | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 36.3 Ų | 36.3 | 50% | 0.495 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -89.9 | -12.6 | 172 | -68.8 | 179.7 | -14.1 | 0 | 0 | 113.6 | N284 A285 G340 | N284-Q288 PolarHBondContact ND2-NE2 3.29Å; N284-Q288 PolarHBondContact ND2-OE1 2.92Å; N284-Q288 WeakPolarHBondContact O-CG 3.43Å; N284-Q288 PolarHBondContact O-N 3.43Å; A285-Q288 CarbonylContact O-C 3.53Å; A285-Q288 PolarHBondContact O-N 3.46Å; Q288-G340 WeakPolarHBondContact CG-O 3.45Å; Q288-G340 PolarHBondContact NE2-O 2.92Å |
| 289 | C | 97.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.054 | 17% | 0.174 | C | C | . | . | trans | -51.8 | 135.2 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | V253 A285 M286 L291 R293 | V253-C289 HydrophobicContact CG2-CB 4.07Å; A285-C289 PolarHBondContact O-N 2.8Å; M286-C289 WeakPolarHBondContact O-CB 3.36Å; C289-L291 PolarHBondContact O-N 3.29Å; C289-R293 VanDerWaalsContact N-NH1 3.17Å; C289-R293 VanDerWaalsContact O-CZ 3.23Å; C289-R293 PolarHBondContact O-NH1 3.48Å; C289-R293 PolarHBondContact O-NH2 3.47Å | ||
| 290 | P | 97.7 | Very high | 98.5 | Very high | 116 Ų | 116 | 32.7 Ų | 32.7 | 75% | 0.753 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -76.7 | -4.6 | -173.7 | 30.3 | -36.8 | 0 | 0 | 0 | 113.9 | M250 | M250-P290 HydrophobicContact CE-CG 4.36Š|
| 291 | L | 97.9 | Very high | 98.5 | Very high | 53 Ų | 53 | 32.7 Ų | 32.7 | 28% | 0.277 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -76.9 | 146 | 178 | -60.4 | -177 | 0 | 0 | 0 | 111.5 | M250 V253 C289 | M250-L291 HydrophobicContact CE-CG 4.41Å; M250-L291 HydrophobicContact SD-CD1 3.57Å; M250-L291 VanDerWaalsContact SD-CD1 3.57Å; M250-L291 HydrophobicContact SD-CG 4.08Å; V253-L291 HydrophobicContact CG1-CB 3.94Å; V253-L291 HydrophobicContact CG1-CD1 4.26Å; C289-L291 PolarHBondContact O-N 3.29Å |
| 292 | H | 97.7 | Very high | 98.5 | Very high | 131 Ų | 131 | 30.8 Ų | 30.8 | 61% | 0.606 | 17% | 0.167 | S | C | * | . | trans | -62.2 | 136.6 | 174.9 | 178.3 | 68.4 | 0 | 0 | 0 | 111.6 | R257 | R257-H292 WeakPolarHBondContact CD-O 3.27Å; R257-H292 PolarHBondContact NH1-O 2.94Å | ||
| 293 | R | 97.9 | Very high | 98.3 | Very high | 70 Ų | 70 | 32.3 Ų | 32.3 | 26% | 0.264 | 17% | 0.172 | S | C | . | . | trans | -128.4 | 104.4 | -179.9 | -64.1 | 165.5 | -71.1 | -116.3 | -9.1 | 108.2 | V253 M286 N287 C289 W295 I297 | V253-R293 HydrophobicContact CG1-CG 3.98Å; M286-R293 PolarHBondContact O-NH1 2.94Å; N287-R293 PolarHBondContact O-NH1 3.34Å; N287-R293 PolarHBondContact O-NH2 3.29Å; C289-R293 VanDerWaalsContact N-NH1 3.17Å; C289-R293 VanDerWaalsContact O-CZ 3.23Å; C289-R293 PolarHBondContact O-NH1 3.48Å; C289-R293 PolarHBondContact O-NH2 3.47Å; R293-W295 PolarHBondContact O-N 3.44Å; R293-I297 HydrophobicContact CB-CD1 4.42Å; R293-I297 VanDerWaalsContact CD-CD1 3.43Å; R293-I297 HydrophobicContact CG-CD1 3.9Å | ||
| 294 | P | 98.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -80.8 | 8.7 | -178.3 | 32.3 | -33.8 | 0 | 0 | 0 | 113.5 | P262 | P262-P294 HydrophobicContact CB-CB 3.97Å; P262-P294 HydrophobicContact CB-CG 4.04Å |
| 295 | W | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 31.8 Ų | 31.8 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -128.3 | 156.1 | -177.7 | -42.9 | -54.9 | 0 | 0 | 0 | 110.2 | L256 V260 P261 I267 R293 I297 | L256-W295 HydrophobicContact CB-CZ3 3.9Å; V260-W295 HydrophobicContact CB-CD2 4.49Å; V260-W295 HydrophobicContact CB-CH2 3.66Å; V260-W295 HydrophobicContact CB-CZ2 3.6Å; V260-W295 HydrophobicContact CB-CZ3 4.13Å; V260-W295 HydrophobicContact CG1-CD2 3.94Å; V260-W295 VanDerWaalsContact CG1-CE2 3.45Å; V260-W295 HydrophobicContact CG1-CE3 4.4Å; V260-W295 HydrophobicContact CG1-CH2 4.09Å; V260-W295 HydrophobicContact CG1-CZ2 3.6Å; V260-W295 HydrophobicContact CG1-CZ3 4.46Å; V260-W295 WeakPolarHBondContact O-CH2 3.4Å; V260-W295 WeakPolarHBondContact O-CZ2 3.46Å; P261-W295 PolarHBondContact O-NE1 3.16Å; I267-W295 HydrophobicContact CD1-CD2 4.48Å; I267-W295 HydrophobicContact CD1-CG 4.47Å; I267-W295 HydrophobicContact CG1-CB 4.14Å; I267-W295 HydrophobicContact CG1-CE3 4.38Å; I267-W295 HydrophobicContact CG1-CG 4.45Å; R293-W295 PolarHBondContact O-N 3.44Å; W295-I297 PolarHBondContact O-N 2.97Å |
| 296 | A | 98.9 | Very high | 98.2 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 26% | 0.256 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 135.5 | 163 | 0 | 0 | 0 | 0 | 0 | 110.3 | V24 P265 G266 I267 | V24-A296 HydrophobicContact CB-CB 3.91Å; V24-A296 HydrophobicContact CG2-CB 3.9Å; P265-A296 PolarHBondContact O-N 3.13Å; P265-A296 VanDerWaalsContact O-N 3.08Å; G266-A296 CarbonylContact C-O 3.52Å; G266-A296 WeakPolarHBondContact CA-O 3.38Å; I267-A296 PolarHBondContact N-O 3.31Å |
| 297 | I | 98.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.9 | 170.1 | -66.9 | -172.4 | 0 | 0 | 0 | 108.6 | V253 L256 F269 L283 M286 N287 R293 W295 | V253-I297 HydrophobicContact CG2-CD1 4.19Å; L256-I297 HydrophobicContact CD1-CD1 4.47Å; F269-I297 HydrophobicContact CD2-CG2 4.03Å; F269-I297 HydrophobicContact CE2-CG2 3.61Å; L283-I297 HydrophobicContact CD1-CG2 3.79Å; M286-I297 HydrophobicContact CB-CG2 4.19Å; M286-I297 HydrophobicContact CE-CG2 4.33Å; N287-I297 PolarHBondContact ND2-O 3.31Å; R293-I297 HydrophobicContact CB-CD1 4.42Å; R293-I297 VanDerWaalsContact CD-CD1 3.43Å; R293-I297 HydrophobicContact CG-CD1 3.9Å; W295-I297 PolarHBondContact O-N 2.97Å |
| 298 | T | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | -168.6 | -175.3 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | V24 K28 G29 I267 T268 F269 C338 | V24-T298 HydrophobicContact CB-CG2 4.32Å; V24-T298 HydrophobicContact CG1-CG2 4Å; K28-T298 WeakPolarHBondContact O-CB 3.46Å; K28-T298 PolarHBondContact O-OG1 2.64Å; G29-T298 WeakPolarHBondContact CA-OG1 3.42Å; I267-T298 PolarHBondContact O-N 2.81Å; T268-T298 CarbonylContact C-O 3.59Å; T268-T298 WeakPolarHBondContact CA-O 3.34Å; T268-T298 HydrophobicContact CG2-CG2 3.66Å; F269-T298 PolarHBondContact N-O 3.22Å; T298-C338 WeakPolarHBondContact OG1-CB 3.35Å |
| 299 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148.8 | -172.8 | 54.8 | -82.7 | 0 | 0 | 0 | 112.9 | G29 I30 C72 I73 L283 Y301 L305 N334 C338 | G29-F299 CarbonylContact C-O 3.59Å; I30-F299 PolarHBondContact N-O 3.23Å; C72-F299 WeakPolarHBondContact O-CZ 3.24Å; I73-F299 HydrophobicContact CD1-CE2 4Å; I73-F299 HydrophobicContact CD1-CZ 4.37Å; L283-F299 HydrophobicContact CD2-CB 3.95Å; L283-F299 HydrophobicContact CD2-CD1 3.84Å; L283-F299 HydrophobicContact CD2-CG 4.34Å; F299-Y301 HydrophobicContact CB-CD1 3.79Å; F299-Y301 HydrophobicContact CB-CD2 3.75Å; F299-Y301 HydrophobicContact CB-CE1 3.77Å; F299-Y301 HydrophobicContact CB-CE2 3.73Å; F299-Y301 HydrophobicContact CB-CG 3.78Å; F299-Y301 HydrophobicContact CD2-CD2 4.45Å; F299-Y301 HydrophobicContact CD2-CG 4.49Å; F299-Y301 HydrophobicContact CG-CD2 4.36Å; F299-L305 HydrophobicContact CD2-CD1 4.08Å; F299-L305 HydrophobicContact CE2-CD1 3.97Å; F299-N334 HydrophobicContact CD1-CB 3.7Å; F299-N334 HydrophobicContact CD2-CB 4.29Å; F299-N334 VanDerWaalsContact CE1-C 3.49Å; F299-N334 HydrophobicContact CE1-CB 3.58Å; F299-N334 WeakPolarHBondContact CE1-O 3.46Å; F299-N334 HydrophobicContact CE2-CB 4.19Å; F299-N334 HydrophobicContact CG-CB 4.05Å; F299-N334 HydrophobicContact CZ-CB 3.83Å; F299-C338 HydrophobicContact CD1-CB 4.4Å |
| 300 | S | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 81.8 | 158.8 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | I30 K229 T268 F269 | I30-S300 WeakPolarHBondContact O-CA 3.48Å; K229-S300 VanDerWaalsContact CE-O 3.32Å; K229-S300 WeakPolarHBondContact CE-O 3.48Å; K229-S300 WeakPolarHBondContact CE-OG 3.41Å; K229-S300 PolarHBondContact NZ-O 2.91Å; K229-S300 PolarHBondContact NZ-OG 2.65Å; T268-S300 WeakPolarHBondContact O-CB 3.27Å; F269-S300 CarbonylContact O-C 3.49Å; F269-S300 PolarHBondContact O-N 3.03Å |
| 301 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.5 | -165.3 | -73.1 | -4 | 0 | 0 | 0 | 111.8 | I30 A32 M232 F269 A279 F299 A304 N334 | I30-Y301 PolarHBondContact O-N 2.98Å; A32-Y301 PolarHBondContact N-O 3.22Å; M232-Y301 WeakPolarHBondContact CE-OH 3.43Å; F269-Y301 HydrophobicContact CB-CE1 4.37Å; F269-Y301 WeakPolarHBondContact O-CD1 3.49Å; F269-Y301 WeakPolarHBondContact O-CE1 3.25Å; A279-Y301 HydrophobicContact CB-CD2 4.41Å; A279-Y301 HydrophobicContact CB-CE2 3.66Å; A279-Y301 PolarHBondContact O-OH 3.33Å; F299-Y301 HydrophobicContact CB-CD1 3.79Å; F299-Y301 HydrophobicContact CB-CD2 3.75Å; F299-Y301 HydrophobicContact CB-CE1 3.77Å; F299-Y301 HydrophobicContact CB-CE2 3.73Å; F299-Y301 HydrophobicContact CB-CG 3.78Å; F299-Y301 HydrophobicContact CD2-CD2 4.45Å; F299-Y301 HydrophobicContact CD2-CG 4.49Å; F299-Y301 HydrophobicContact CG-CD2 4.36Å; Y301-A304 HydrophobicContact CD2-CB 3.59Å; Y301-A304 HydrophobicContact CE2-CB 4.16Å; Y301-A304 HydrophobicContact CG-CB 3.85Å; Y301-N334 WeakPolarHBondContact CE2-OD1 3.28Å |
| 302 | G | 97.5 | Very high | 98 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 8% | 0.082 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -96.3 | -89.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A32 A304 L305 Q306 | A32-G302 VanDerWaalsContact O-CA 3.29Å; A32-G302 WeakPolarHBondContact O-CA 3.43Å; G302-A304 VanDerWaalsContact C-N 3.28Å; G302-A304 PolarHBondContact O-N 3.27Å; G302-L305 PolarHBondContact O-N 2.65Å; G302-Q306 WeakPolarHBondContact O-CB 3.43Å; G302-Q306 WeakPolarHBondContact O-CG 3.25Å; G302-Q306 PolarHBondContact O-N 3.49Å |
| 303 | R | 95 | Very high | 98.1 | Very high | 33 Ų | 33 | 17.8 Ų | 17.8 | 13% | 0.125 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -50.2 | -43 | -179.7 | -66.7 | -177.7 | -69.8 | -152.6 | -16 | 113.5 | G272 L305 Q306 A307 L356 | G272-R303 VanDerWaalsContact C-NH2 3.31Å; G272-R303 VanDerWaalsContact O-CZ 3.29Å; G272-R303 PolarHBondContact O-NE 2.85Å; G272-R303 PolarHBondContact O-NH2 3.15Å; R303-L305 PolarHBondContact O-N 2.71Å; R303-L305 VanDerWaalsContact O-N 3.12Å; R303-Q306 PolarHBondContact O-N 3.26Å; R303-A307 WeakPolarHBondContact O-CB 3.3Å; R303-A307 PolarHBondContact O-N 3.18Å; R303-L356 HydrophobicContact CB-CB 4.29Å; R303-L356 HydrophobicContact CB-CD1 3.76Å; R303-L356 PolarHBondContact NE-O 3.21Å; R303-L356 PolarHBondContact NH1-O 2.71Å |
| 304 | A | 97.1 | Very high | 98 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.4 | -8.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S271 A279 Y301 G302 | S271-A304 VanDerWaalsContact CB-CB 3.44Å; A279-A304 HydrophobicContact CB-CB 3.73Å; Y301-A304 HydrophobicContact CD2-CB 3.59Å; Y301-A304 HydrophobicContact CE2-CB 4.16Å; Y301-A304 HydrophobicContact CG-CB 3.85Å; G302-A304 VanDerWaalsContact C-N 3.28Å; G302-A304 PolarHBondContact O-N 3.27Å |
| 305 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -109 | -13.3 | 169.8 | -76.5 | 174.3 | 0 | 0 | 0 | 112.9 | L31 F299 G302 R303 F327 R330 N334 | L31-L305 HydrophobicContact CB-CD1 4.33Å; L31-L305 HydrophobicContact CD1-CB 4.18Å; L31-L305 HydrophobicContact CD1-CD1 4.02Å; F299-L305 HydrophobicContact CD2-CD1 4.08Å; F299-L305 HydrophobicContact CE2-CD1 3.97Å; G302-L305 PolarHBondContact O-N 2.65Å; R303-L305 PolarHBondContact O-N 2.71Å; R303-L305 VanDerWaalsContact O-N 3.12Å; L305-F327 HydrophobicContact CB-CD2 4.36Å; L305-F327 HydrophobicContact CB-CE2 4.32Å; L305-F327 WeakPolarHBondContact O-CD2 3.3Å; L305-R330 HydrophobicContact CD2-CB 3.87Å; L305-N334 WeakPolarHBondContact CD2-ND2 3.04Å |
| 306 | Q | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -122.4 | -17.5 | -162.8 | -73.4 | -173.7 | 53.1 | 0 | 0 | 113.9 | L31 A32 E35 R43 Y59 L63 G302 R303 A309 L310 | L31-Q306 HydrophobicContact CD1-CG 4.13Å; A32-Q306 PolarHBondContact O-NE2 2.88Å; E35-Q306 PolarHBondContact OE1-NE2 2.88Å; R43-Q306 VanDerWaalsContact NH1-CD 3.31Å; Y59-Q306 WeakPolarHBondContact OH-CB 3.45Å; Y59-Q306 PolarHBondContact OH-OE1 3.12Å; L63-Q306 HydrophobicContact CD1-CG 4.07Å; G302-Q306 WeakPolarHBondContact O-CB 3.43Å; G302-Q306 WeakPolarHBondContact O-CG 3.25Å; G302-Q306 PolarHBondContact O-N 3.49Å; R303-Q306 PolarHBondContact O-N 3.26Å; Q306-A309 PolarHBondContact O-N 3Å; Q306-L310 WeakPolarHBondContact O-CB 3.42Å; Q306-L310 PolarHBondContact O-N 3.29Å |
| 307 | A | 97.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 15% | 0.149 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -49.5 | -171 | 0 | 0 | 0 | 0 | 0 | 111.9 | E276 R303 K311 A351 L356 | E276-A307 HydrophobicContact CG-CB 4.01Å; E276-A307 PolarHBondContact OE1-N 3Å; R303-A307 WeakPolarHBondContact O-CB 3.3Å; R303-A307 PolarHBondContact O-N 3.18Å; A307-K311 WeakPolarHBondContact O-CB 3.48Å; A307-K311 PolarHBondContact O-N 3.05Å; A307-K311 VanDerWaalsContact O-N 3.08Å; A307-A351 HydrophobicContact CB-CB 4.26Å; A307-L356 HydrophobicContact CB-CD1 3.93Å; A307-L356 HydrophobicContact CB-CD2 3.62Å; A307-L356 HydrophobicContact CB-CG 4.47Å |
| 308 | S | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 176.5 | -68.5 | 0 | 0 | 0 | 0 | 112 | E276 K311 A312 E326 A350 A351 | E276-S308 PolarHBondContact OE1-N 3.4Å; E276-S308 VanDerWaalsContact OE2-CB 3.27Å; E276-S308 WeakPolarHBondContact OE2-CB 3.39Å; E276-S308 PolarHBondContact OE2-OG 3.23Å; S308-K311 PolarHBondContact O-N 3.2Å; S308-A312 VanDerWaalsContact O-CB 3.26Å; S308-A312 WeakPolarHBondContact O-CB 3.47Å; S308-A312 PolarHBondContact O-N 3.41Å; S308-E326 WeakPolarHBondContact CB-OE2 3.45Å; S308-A350 PolarHBondContact OG-N 2.77Å; S308-A351 PolarHBondContact OG-N 2.7Å |
| 309 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L63 Q306 K311 A312 W313 C323 E326 F327 | L63-A309 HydrophobicContact CD2-CB 4.42Å; Q306-A309 PolarHBondContact O-N 3Å; A309-K311 PolarHBondContact O-N 3.33Å; A309-A312 PolarHBondContact O-N 3.03Å; A309-W313 WeakPolarHBondContact O-CB 3.36Å; A309-W313 PolarHBondContact O-N 2.88Å; A309-C323 WeakPolarHBondContact CB-O 3.2Å; A309-C323 PolarHBondContact O-SG 3.46Å; A309-C323 VanDerWaalsContact O-SG 3.36Å; A309-E326 HydrophobicContact CB-CB 4.36Å; A309-F327 HydrophobicContact CB-CB 3.93Å |
| 310 | L | 98 | Very high | 97 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.6 | -175.8 | 70.5 | 0 | 0 | 0 | 111.7 | R43 F44 I47 Y59 Q306 W313 G314 | R43-L310 HydrophobicContact CB-CD2 3.71Å; R43-L310 HydrophobicContact CG-CD2 4.47Å; F44-L310 HydrophobicContact CD1-CD1 3.92Å; F44-L310 HydrophobicContact CE1-CD1 3.89Å; I47-L310 HydrophobicContact CD1-CD1 3.64Å; I47-L310 HydrophobicContact CD1-CG 3.93Å; I47-L310 HydrophobicContact CG1-CG 4.49Å; I47-L310 HydrophobicContact CG2-CG 4.2Å; Y59-L310 HydrophobicContact CD2-CD1 4.03Å; Y59-L310 HydrophobicContact CE1-CD1 4.22Å; Y59-L310 HydrophobicContact CE2-CB 4.15Å; Y59-L310 HydrophobicContact CE2-CD1 3.6Å; Q306-L310 WeakPolarHBondContact O-CB 3.42Å; Q306-L310 PolarHBondContact O-N 3.29Å; L310-W313 HydrophobicContact CD1-CE3 4.02Å; L310-W313 HydrophobicContact CD1-CZ3 4.38Å; L310-W313 PolarHBondContact O-N 3.07Å; L310-G314 PolarHBondContact O-N 3.35Å |
| 311 | K | 97.6 | Very high | 97 | Very high | 95 Ų | 95 | 39.1 Ų | 39.1 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.4 | -169.9 | 174.5 | -177.4 | -178.6 | 0 | 111.8 | A307 S308 A309 A350 A351 E354 | A307-K311 WeakPolarHBondContact O-CB 3.48Å; A307-K311 PolarHBondContact O-N 3.05Å; A307-K311 VanDerWaalsContact O-N 3.08Å; S308-K311 PolarHBondContact O-N 3.2Å; A309-K311 PolarHBondContact O-N 3.33Å; K311-A350 HydrophobicContact CD-CB 4.15Å; K311-A350 HydrophobicContact CG-CB 4.47Å; K311-A350 PolarHBondContact NZ-O 2.6Å; K311-A351 HydrophobicContact CD-CB 3.99Å; K311-E354 IonicContact NZ-OE1 2.73Å; K311-E354 PolarHBondContact NZ-OE1 3.49Å; K311-E354 IonicContact NZ-OE2 2.98Å |
| 312 | A | 97.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S308 A309 N319 A322 E326 | S308-A312 VanDerWaalsContact O-CB 3.26Å; S308-A312 WeakPolarHBondContact O-CB 3.47Å; S308-A312 PolarHBondContact O-N 3.41Å; A309-A312 PolarHBondContact O-N 3.03Å; A312-N319 WeakPolarHBondContact O-CB 3.46Å; A312-N319 PolarHBondContact O-ND2 2.9Å; A312-A322 HydrophobicContact CB-CB 4.28Å; A312-E326 HydrophobicContact CB-CG 3.93Å |
| 313 | W | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -50.7 | 174.6 | -177.3 | 40.9 | 0 | 0 | 0 | 111.8 | F44 I47 N55 L58 Y59 L62 A309 L310 G315 K316 N319 C323 | F44-W313 HydrophobicContact CD1-CZ3 4.34Å; F44-W313 AromaticContact CE1-CZ3 3.74Å; F44-W313 HydrophobicContact CE1-CZ3 3.74Å; F44-W313 HydrophobicContact CZ-CH2 4.19Å; F44-W313 AromaticContact CZ-CZ3 3.83Å; F44-W313 HydrophobicContact CZ-CZ3 3.83Å; I47-W313 HydrophobicContact CD1-CE3 3.94Å; I47-W313 HydrophobicContact CD1-CZ3 4.26Å; N55-W313 HydrophobicContact CB-CH2 4.24Å; L58-W313 HydrophobicContact CB-CZ2 4.48Å; Y59-W313 HydrophobicContact CD2-CD2 4.09Å; Y59-W313 AromaticContact CD2-CE3 3.49Å; Y59-W313 HydrophobicContact CD2-CE3 3.49Å; Y59-W313 VanDerWaalsContact CD2-CE3 3.49Å; Y59-W313 AromaticContact CD2-CZ3 3.8Å; Y59-W313 HydrophobicContact CD2-CZ3 3.8Å; Y59-W313 HydrophobicContact CE2-CE3 4.25Å; Y59-W313 HydrophobicContact CG-CE3 4.12Å; Y59-W313 AromaticContact CG-CZ3 3.93Å; Y59-W313 HydrophobicContact CG-CZ3 3.93Å; L62-W313 HydrophobicContact CD1-CD2 4.21Å; L62-W313 HydrophobicContact CD1-CG 3.96Å; A309-W313 WeakPolarHBondContact O-CB 3.36Å; A309-W313 PolarHBondContact O-N 2.88Å; L310-W313 HydrophobicContact CD1-CE3 4.02Å; L310-W313 HydrophobicContact CD1-CZ3 4.38Å; L310-W313 PolarHBondContact O-N 3.07Å; W313-G315 PolarHBondContact O-N 2.61Å; W313-G315 VanDerWaalsContact O-N 3.11Å; W313-K316 VanDerWaalsContact CD1-O 3.23Å; W313-K316 PolarHBondContact NE1-O 2.89Å; W313-K316 PolarHBondContact O-N 3.43Å; W313-K316 VanDerWaalsContact O-N 3.14Å; W313-N319 VanDerWaalsContact O-CB 3.31Å; W313-N319 WeakPolarHBondContact O-CB 3.22Å; W313-N319 PolarHBondContact O-ND2 3.47Å; W313-C323 HydrophobicContact CB-CB 3.77Å; W313-C323 HydrophobicContact CG-CB 4.43Å |
| 314 | G | 96.8 | Very high | 97.1 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 25% | 0.247 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 19.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L310 K316 | L310-G314 PolarHBondContact O-N 3.35Å; G314-K316 VanDerWaalsContact C-N 3.26Å; G314-K316 PolarHBondContact O-N 2.64Å |
| 315 | G | 95.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 11.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W313 | W313-G315 PolarHBondContact O-N 2.61Å; W313-G315 VanDerWaalsContact O-N 3.11Å |
| 316 | K | 93.9 | Very high | 97.2 | Very high | 112 Ų | 112 | 45.8 Ų | 45.8 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | trans | -110.4 | 120.1 | -172.7 | -67.3 | -175.9 | -175.5 | -175 | 0 | 111 | W313 G314 E318 N319 | W313-K316 VanDerWaalsContact CD1-O 3.23Å; W313-K316 PolarHBondContact NE1-O 2.89Å; W313-K316 PolarHBondContact O-N 3.43Å; W313-K316 VanDerWaalsContact O-N 3.14Å; G314-K316 VanDerWaalsContact C-N 3.26Å; G314-K316 PolarHBondContact O-N 2.64Å; K316-E318 HydrophobicContact CB-CG 4.32Å; K316-E318 PolarHBondContact O-N 2.94Å; K316-N319 WeakPolarHBondContact O-CB 3.36Å; K316-N319 PolarHBondContact O-N 2.94Å | ||
| 317 | P | 91.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -54.1 | -36.8 | -178.2 | -28 | 35.7 | 0 | 0 | 0 | 114.2 | N319 G320 | P317-N319 PolarHBondContact O-N 3.48Å; P317-N319 VanDerWaalsContact O-N 3.15Å; P317-G320 PolarHBondContact O-N 3.21Å; P317-G320 VanDerWaalsContact O-N 3.09Å |
| 318 | E | 95.9 | Very high | 97.3 | Very high | 140 Ų | 140 | 45.1 Ų | 45.1 | 65% | 0.654 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -61.7 | -21.8 | 179 | 63 | -90 | -153 | 0 | 0 | 113.7 | K316 G320 | K316-E318 HydrophobicContact CB-CG 4.32Å; K316-E318 PolarHBondContact O-N 2.94Å; E318-G320 VanDerWaalsContact C-N 3.32Å |
| 319 | N | 97.6 | Very high | 97.3 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -89.3 | 6.9 | 178.9 | -68.3 | -19.7 | 0 | 0 | 0 | 113.5 | A312 W313 K316 P317 K321 A322 C323 | A312-N319 WeakPolarHBondContact O-CB 3.46Å; A312-N319 PolarHBondContact O-ND2 2.9Å; W313-N319 VanDerWaalsContact O-CB 3.31Å; W313-N319 WeakPolarHBondContact O-CB 3.22Å; W313-N319 PolarHBondContact O-ND2 3.47Å; K316-N319 WeakPolarHBondContact O-CB 3.36Å; K316-N319 PolarHBondContact O-N 2.94Å; P317-N319 PolarHBondContact O-N 3.48Å; P317-N319 VanDerWaalsContact O-N 3.15Å; N319-K321 VanDerWaalsContact C-N 3.29Å; N319-K321 PolarHBondContact O-N 3.22Å; N319-A322 PolarHBondContact O-N 3.46Å; N319-C323 PolarHBondContact O-N 3.01Å |
| 320 | G | 97.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 49 Ų | 49 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.2 | -41.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L62 P317 E318 C323 Q324 | L62-G320 VanDerWaalsContact CD2-CA 3.5Å; P317-G320 PolarHBondContact O-N 3.21Å; P317-G320 VanDerWaalsContact O-N 3.09Å; E318-G320 VanDerWaalsContact C-N 3.32Å; G320-C323 WeakPolarHBondContact O-CB 3.45Å; G320-C323 PolarHBondContact O-N 3.17Å; G320-Q324 WeakPolarHBondContact O-CG 3.39Å; G320-Q324 PolarHBondContact O-N 3.47Å |
| 321 | K | 97.8 | Very high | 97.3 | Very high | 171 Ų | 171 | 48.5 Ų | 48.5 | 74% | 0.743 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 176.7 | -71.1 | -174.8 | 176.5 | -178.1 | 0 | 112.7 | N319 C323 Q324 E325 | N319-K321 VanDerWaalsContact C-N 3.29Å; N319-K321 PolarHBondContact O-N 3.22Å; K321-C323 VanDerWaalsContact C-N 3.32Å; K321-C323 PolarHBondContact O-N 2.91Å; K321-Q324 PolarHBondContact O-N 3.12Å; K321-E325 WeakPolarHBondContact O-CG 3.4Å; K321-E325 PolarHBondContact O-N 3.47Å |
| 322 | A | 98.1 | Very high | 97.3 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | A312 N319 E326 | A312-A322 HydrophobicContact CB-CB 4.28Å; N319-A322 PolarHBondContact O-N 3.46Å; A322-E326 PolarHBondContact O-N 3.17Å |
| 323 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.7 | -50.3 | 171.7 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | L62 A309 W313 N319 G320 K321 E326 F327 | L62-C323 HydrophobicContact CD1-CB 4.22Å; A309-C323 WeakPolarHBondContact CB-O 3.2Å; A309-C323 PolarHBondContact O-SG 3.46Å; A309-C323 VanDerWaalsContact O-SG 3.36Å; W313-C323 HydrophobicContact CB-CB 3.77Å; W313-C323 HydrophobicContact CG-CB 4.43Å; N319-C323 PolarHBondContact O-N 3.01Å; G320-C323 WeakPolarHBondContact O-CB 3.45Å; G320-C323 PolarHBondContact O-N 3.17Å; K321-C323 VanDerWaalsContact C-N 3.32Å; K321-C323 PolarHBondContact O-N 2.91Å; C323-E326 PolarHBondContact O-N 3.06Å; C323-F327 PolarHBondContact O-N 2.92Å; C323-F327 VanDerWaalsContact O-N 3.14Å |
| 324 | Q | 98.6 | Very high | 97.3 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -46.3 | -179.3 | -72.6 | -179.2 | -32.2 | 0 | 0 | 112.2 | L62 T65 A66 G320 K321 E326 F327 I328 | L62-Q324 VanDerWaalsContact O-CG 3.31Å; L62-Q324 WeakPolarHBondContact O-CG 3.34Å; L62-Q324 PolarHBondContact O-NE2 2.93Å; T65-Q324 PolarHBondContact OG1-NE2 3.21Å; A66-Q324 HydrophobicContact CB-CB 4.01Å; A66-Q324 HydrophobicContact CB-CG 3.93Å; G320-Q324 WeakPolarHBondContact O-CG 3.39Å; G320-Q324 PolarHBondContact O-N 3.47Å; K321-Q324 PolarHBondContact O-N 3.12Å; Q324-E326 VanDerWaalsContact C-N 3.34Å; Q324-E326 PolarHBondContact O-N 2.93Å; Q324-F327 PolarHBondContact O-N 3.26Å; Q324-I328 HydrophobicContact CB-CD1 4.41Å; Q324-I328 WeakPolarHBondContact O-CB 3.43Å; Q324-I328 WeakPolarHBondContact O-CD1 3.36Å; Q324-I328 WeakPolarHBondContact O-CG1 3.33Å; Q324-I328 PolarHBondContact O-N 2.89Å |
| 325 | E | 98.3 | Very high | 97.4 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 179.4 | -71.7 | -58.3 | 144.8 | 0 | 0 | 112.5 | R68 K321 I328 K329 | R68-E325 IonicContact CZ-OE2 2.67Å; R68-E325 IonicContact NH1-OE2 2.95Å; R68-E325 IonicContact NH2-OE1 3.22Å; R68-E325 PolarHBondContact NH2-OE1 3.21Å; R68-E325 IonicContact NH2-OE2 2.92Å; R68-E325 PolarHBondContact NH2-OE2 2.73Å; K321-E325 WeakPolarHBondContact O-CG 3.4Å; K321-E325 PolarHBondContact O-N 3.47Å; E325-I328 PolarHBondContact O-N 3.14Å; E325-K329 VanDerWaalsContact O-CG 3.29Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 2.98Å |
| 326 | E | 98.2 | Very high | 97.6 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.8 | -69.5 | -59.5 | 124.8 | 0 | 0 | 112 | S308 A309 A312 A322 C323 Q324 K329 R330 G349 A350 | S308-E326 WeakPolarHBondContact CB-OE2 3.45Å; A309-E326 HydrophobicContact CB-CB 4.36Å; A312-E326 HydrophobicContact CB-CG 3.93Å; A322-E326 PolarHBondContact O-N 3.17Å; C323-E326 PolarHBondContact O-N 3.06Å; Q324-E326 VanDerWaalsContact C-N 3.34Å; Q324-E326 PolarHBondContact O-N 2.93Å; E326-K329 PolarHBondContact O-N 2.83Å; E326-K329 IonicContact OE1-NZ 3.18Å; E326-K329 PolarHBondContact OE1-NZ 3.35Å; E326-R330 PolarHBondContact O-N 2.75Å; E326-G349 VanDerWaalsContact OE2-CA 3.28Å; E326-G349 WeakPolarHBondContact OE2-CA 3.26Å; E326-A350 PolarHBondContact OE2-N 2.94Å |
| 327 | F | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 172.8 | 167.2 | -120.7 | 0 | 0 | 0 | 111.8 | L31 L63 A66 V69 L305 A309 C323 Q324 K329 R330 A331 | L31-F327 HydrophobicContact CD1-CE2 4.08Å; L31-F327 HydrophobicContact CD2-CE2 4.16Å; L31-F327 HydrophobicContact CD2-CZ 3.95Å; L63-F327 HydrophobicContact CD2-CB 4.05Å; L63-F327 HydrophobicContact CD2-CD1 4.28Å; L63-F327 HydrophobicContact CD2-CD2 4.19Å; L63-F327 HydrophobicContact CD2-CG 3.91Å; L63-F327 VanDerWaalsContact O-CE1 3.29Å; L63-F327 WeakPolarHBondContact O-CE1 3.25Å; A66-F327 HydrophobicContact CB-CD1 3.56Å; A66-F327 HydrophobicContact CB-CE1 3.89Å; V69-F327 HydrophobicContact CB-CE1 4.33Å; V69-F327 HydrophobicContact CG1-CD1 4.22Å; V69-F327 HydrophobicContact CG1-CE1 3.71Å; V69-F327 HydrophobicContact CG1-CZ 4.2Å; V69-F327 HydrophobicContact CG2-CE1 4.24Å; L305-F327 HydrophobicContact CB-CD2 4.36Å; L305-F327 HydrophobicContact CB-CE2 4.32Å; L305-F327 WeakPolarHBondContact O-CD2 3.3Å; A309-F327 HydrophobicContact CB-CB 3.93Å; C323-F327 PolarHBondContact O-N 2.92Å; C323-F327 VanDerWaalsContact O-N 3.14Å; Q324-F327 PolarHBondContact O-N 3.26Å; F327-K329 PolarHBondContact O-N 2.88Å; F327-R330 PolarHBondContact O-N 3.33Å; F327-A331 HydrophobicContact CE2-CB 4.47Å; F327-A331 WeakPolarHBondContact O-CB 3.24Å; F327-A331 PolarHBondContact O-N 3.41Å |
| 328 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 179.8 | -68.1 | 159.7 | 0 | 0 | 0 | 110.8 | A66 D67 R68 V69 Q324 E325 R330 A331 L332 | A66-I328 HydrophobicContact CB-CD1 4.11Å; A66-I328 HydrophobicContact CB-CG1 4Å; D67-I328 WeakPolarHBondContact O-CD1 3.07Å; D67-I328 VanDerWaalsContact O-CG1 3.32Å; D67-I328 WeakPolarHBondContact O-CG1 3.4Å; D67-I328 WeakPolarHBondContact OD1-CD1 3.12Å; R68-I328 HydrophobicContact CB-CG2 4.27Å; V69-I328 HydrophobicContact CG1-CB 4.46Å; V69-I328 HydrophobicContact CG1-CG1 3.87Å; Q324-I328 HydrophobicContact CB-CD1 4.41Å; Q324-I328 WeakPolarHBondContact O-CB 3.43Å; Q324-I328 WeakPolarHBondContact O-CD1 3.36Å; Q324-I328 WeakPolarHBondContact O-CG1 3.33Å; Q324-I328 PolarHBondContact O-N 2.89Å; E325-I328 PolarHBondContact O-N 3.14Å; I328-R330 VanDerWaalsContact C-N 3.31Å; I328-R330 PolarHBondContact O-N 3.01Å; I328-A331 PolarHBondContact O-N 2.84Å; I328-L332 HydrophobicContact CG2-CD1 3.74Å; I328-L332 HydrophobicContact CG2-CG 4.26Å; I328-L332 WeakPolarHBondContact O-CB 3.48Å; I328-L332 WeakPolarHBondContact O-CG 3.42Å; I328-L332 PolarHBondContact O-N 2.87Å |
| 329 | K | 97.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 38 Ų | 38 | 33% | 0.326 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -54.3 | -48.7 | 174.9 | -73.1 | 172.8 | -172.3 | 178.7 | 0 | 111 | E325 E326 F327 L332 N333 | E325-K329 VanDerWaalsContact O-CG 3.29Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 2.98Å; E326-K329 PolarHBondContact O-N 2.83Å; E326-K329 IonicContact OE1-NZ 3.18Å; E326-K329 PolarHBondContact OE1-NZ 3.35Å; F327-K329 PolarHBondContact O-N 2.88Å; K329-L332 PolarHBondContact O-N 2.69Å; K329-N333 WeakPolarHBondContact O-CB 3.39Å; K329-N333 PolarHBondContact O-N 3.01Å; K329-N333 PolarHBondContact O-OD1 3.5Å |
| 330 | R | 98.1 | Very high | 98.3 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -37.5 | 179.4 | -61.8 | -45.3 | -52.4 | 174.6 | 2.4 | 112.4 | E276 E277 S280 L305 E326 F327 I328 N333 N334 | E276-R330 PolarHBondContact O-NH2 3.19Å; E277-R330 IonicContact OE2-CZ 3.68Å; E277-R330 IonicContact OE2-NH1 3.72Å; E277-R330 PolarHBondContact OE2-NH1 3.06Å; E277-R330 IonicContact OE2-NH2 2.78Å; E277-R330 PolarHBondContact OE2-NH2 3.41Å; S280-R330 PolarHBondContact OG-NH2 2.99Å; L305-R330 HydrophobicContact CD2-CB 3.87Å; E326-R330 PolarHBondContact O-N 2.75Å; F327-R330 PolarHBondContact O-N 3.33Å; I328-R330 VanDerWaalsContact C-N 3.31Å; I328-R330 PolarHBondContact O-N 3.01Å; R330-N333 PolarHBondContact NH1-ND2 3.28Å; R330-N333 PolarHBondContact O-N 3.47Å; R330-N334 WeakPolarHBondContact O-CB 3.44Å; R330-N334 PolarHBondContact O-N 3.34Å; R330-N334 PolarHBondContact O-ND2 2.9Å |
| 331 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V69 C72 I73 F327 I328 N334 S335 | V69-A331 HydrophobicContact CB-CB 4.44Å; V69-A331 HydrophobicContact CG1-CB 3.78Å; C72-A331 HydrophobicContact CB-CB 4Å; I73-A331 HydrophobicContact CD1-CB 4.47Å; F327-A331 HydrophobicContact CE2-CB 4.47Å; F327-A331 WeakPolarHBondContact O-CB 3.24Å; F327-A331 PolarHBondContact O-N 3.41Å; I328-A331 PolarHBondContact O-N 2.84Å; A331-N334 PolarHBondContact O-N 3.02Å; A331-S335 WeakPolarHBondContact O-CB 3.27Å; A331-S335 PolarHBondContact O-N 2.81Å |
| 332 | L | 98.3 | Very high | 98.3 | Very high | 62 Ų | 62 | 34.3 Ų | 34.3 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.8 | -70.7 | 168.7 | 0 | 0 | 0 | 112.3 | I328 K329 S335 K336 | I328-L332 HydrophobicContact CG2-CD1 3.74Å; I328-L332 HydrophobicContact CG2-CG 4.26Å; I328-L332 WeakPolarHBondContact O-CB 3.48Å; I328-L332 WeakPolarHBondContact O-CG 3.42Å; I328-L332 PolarHBondContact O-N 2.87Å; K329-L332 PolarHBondContact O-N 2.69Å; L332-S335 PolarHBondContact O-N 2.81Å; L332-K336 WeakPolarHBondContact O-CG 3.36Å; L332-K336 PolarHBondContact O-N 2.77Å; L332-K336 VanDerWaalsContact O-N 3.08Å |
| 333 | N | 97.8 | Very high | 98 | Very high | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 177.5 | -72.5 | -5.7 | 0 | 0 | 0 | 111.1 | K329 R330 K336 A337 Y342 | K329-N333 WeakPolarHBondContact O-CB 3.39Å; K329-N333 PolarHBondContact O-N 3.01Å; K329-N333 PolarHBondContact O-OD1 3.5Å; R330-N333 PolarHBondContact NH1-ND2 3.28Å; R330-N333 PolarHBondContact O-N 3.47Å; N333-K336 PolarHBondContact O-N 2.93Å; N333-A337 WeakPolarHBondContact O-CB 3.14Å; N333-A337 PolarHBondContact O-N 3.4Å; N333-Y342 HydrophobicContact CB-CD2 4Å; N333-Y342 HydrophobicContact CB-CE2 3.58Å; N333-Y342 WeakPolarHBondContact OD1-CE2 3.25Å |
| 334 | N | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.1 | -31.9 | 179.7 | -73.2 | -58 | 0 | 0 | 0 | 113.1 | S280 F299 Y301 L305 R330 A331 K336 A337 C338 | S280-N334 VanDerWaalsContact OG-CG 3.25Å; S280-N334 PolarHBondContact OG-ND2 3.36Å; S280-N334 PolarHBondContact OG-OD1 3.32Å; F299-N334 HydrophobicContact CD1-CB 3.7Å; F299-N334 HydrophobicContact CD2-CB 4.29Å; F299-N334 VanDerWaalsContact CE1-C 3.49Å; F299-N334 HydrophobicContact CE1-CB 3.58Å; F299-N334 WeakPolarHBondContact CE1-O 3.46Å; F299-N334 HydrophobicContact CE2-CB 4.19Å; F299-N334 HydrophobicContact CG-CB 4.05Å; F299-N334 HydrophobicContact CZ-CB 3.83Å; Y301-N334 WeakPolarHBondContact CE2-OD1 3.28Å; L305-N334 WeakPolarHBondContact CD2-ND2 3.04Å; R330-N334 WeakPolarHBondContact O-CB 3.44Å; R330-N334 PolarHBondContact O-N 3.34Å; R330-N334 PolarHBondContact O-ND2 2.9Å; A331-N334 PolarHBondContact O-N 3.02Å; N334-K336 VanDerWaalsContact C-N 3.32Å; N334-K336 PolarHBondContact O-N 3.17Å; N334-A337 PolarHBondContact O-N 3.48Å; N334-C338 PolarHBondContact O-N 2.77Å |
| 335 | S | 98.8 | Very high | 96 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -37.9 | 171.1 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | G27 A331 L332 C338 Q339 | G27-S335 WeakPolarHBondContact O-CA 3.32Å; G27-S335 WeakPolarHBondContact O-CB 3.4Å; G27-S335 PolarHBondContact O-OG 3.15Å; A331-S335 WeakPolarHBondContact O-CB 3.27Å; A331-S335 PolarHBondContact O-N 2.81Å; L332-S335 PolarHBondContact O-N 2.81Å; S335-C338 PolarHBondContact O-SG 3.28Å; S335-Q339 PolarHBondContact O-NE2 3.01Å |
| 336 | K | 98.6 | Very high | 94.5 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.5 | -38.7 | 171.5 | -68.6 | 173.6 | -177.3 | 174.3 | 0 | 111.5 | L332 N333 N334 Q339 G340 K341 Y342 | L332-K336 WeakPolarHBondContact O-CG 3.36Å; L332-K336 PolarHBondContact O-N 2.77Å; L332-K336 VanDerWaalsContact O-N 3.08Å; N333-K336 PolarHBondContact O-N 2.93Å; N334-K336 VanDerWaalsContact C-N 3.32Å; N334-K336 PolarHBondContact O-N 3.17Å; K336-Q339 CarbonylContact O-C 3.45Å; K336-Q339 PolarHBondContact O-N 3.35Å; K336-Q339 VanDerWaalsContact O-N 3.12Å; K336-G340 PolarHBondContact O-N 3.42Å; K336-K341 PolarHBondContact O-N 3.04Å; K336-Y342 HydrophobicContact CB-CD2 4.41Å; K336-Y342 PolarHBondContact O-N 2.87Å |
| 337 | A | 98.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S280 L283 N284 N287 N333 N334 Q339 G340 Y342 | S280-A337 WeakPolarHBondContact O-CB 3.36Å; L283-A337 HydrophobicContact CB-CB 4.17Å; L283-A337 HydrophobicContact CD2-CB 4.01Å; L283-A337 HydrophobicContact CG-CB 4.07Å; N284-A337 WeakPolarHBondContact CA-O 3.17Å; N284-A337 HydrophobicContact CB-CB 3.94Å; N287-A337 PolarHBondContact ND2-O 2.92Å; N333-A337 WeakPolarHBondContact O-CB 3.14Å; N333-A337 PolarHBondContact O-N 3.4Å; N334-A337 PolarHBondContact O-N 3.48Å; A337-Q339 PolarHBondContact O-N 2.93Å; A337-Q339 VanDerWaalsContact O-N 3.08Å; A337-G340 PolarHBondContact O-N 3.1Å; A337-Y342 HydrophobicContact CB-CG 4.42Å |
| 338 | C | 98.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 10% | 0.101 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -7.8 | 175.2 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | G27 L283 N287 T298 F299 N334 S335 | G27-C338 VanDerWaalsContact C-SG 3.54Å; G27-C338 VanDerWaalsContact CA-SG 3.51Å; L283-C338 HydrophobicContact CD2-CB 4.2Å; N287-C338 VanDerWaalsContact CG-O 3.3Å; N287-C338 WeakPolarHBondContact ND2-CA 3.46Å; N287-C338 PolarHBondContact ND2-O 3.38Å; N287-C338 PolarHBondContact OD1-O 3.06Å; T298-C338 WeakPolarHBondContact OG1-CB 3.35Å; F299-C338 HydrophobicContact CD1-CB 4.4Å; N334-C338 PolarHBondContact O-N 2.77Å; S335-C338 PolarHBondContact O-SG 3.28Å |
| 339 | Q | 98.6 | Very high | 89.5 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 0.1 | 172.8 | -62.9 | 175.9 | 65.9 | 0 | 0 | 113.1 | S335 K336 A337 K341 | S335-Q339 PolarHBondContact O-NE2 3.01Å; K336-Q339 CarbonylContact O-C 3.45Å; K336-Q339 PolarHBondContact O-N 3.35Å; K336-Q339 VanDerWaalsContact O-N 3.12Å; A337-Q339 PolarHBondContact O-N 2.93Å; A337-Q339 VanDerWaalsContact O-N 3.08Å; Q339-K341 HydrophobicContact CB-CB 4.47Å; Q339-K341 HydrophobicContact CB-CD 4Å; Q339-K341 HydrophobicContact CB-CG 4.12Å; Q339-K341 PolarHBondContact O-N 3.33Å |
| 340 | G | 98.1 | Very high | 87.7 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 21.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N284 Q288 K336 A337 | N284-G340 WeakPolarHBondContact OD1-CA 3.21Å; N284-G340 PolarHBondContact OD1-O 3.06Å; Q288-G340 WeakPolarHBondContact CG-O 3.45Å; Q288-G340 PolarHBondContact NE2-O 2.92Å; K336-G340 PolarHBondContact O-N 3.42Å; A337-G340 PolarHBondContact O-N 3.1Å |
| 341 | K | 98.1 | Very high | 86.1 | Confident | 136 Ų | 136 | 50.4 Ų | 50.4 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | trans | -113.1 | 6.9 | -175.5 | -63.3 | 174.2 | -172.2 | 164.8 | 0 | 113.2 | N284 K336 Q339 | N284-K341 PolarHBondContact OD1-N 3.24Å; N284-K341 VanDerWaalsContact OD1-N 3.14Å; K336-K341 PolarHBondContact O-N 3.04Å; Q339-K341 HydrophobicContact CB-CB 4.47Å; Q339-K341 HydrophobicContact CB-CD 4Å; Q339-K341 HydrophobicContact CB-CG 4.12Å; Q339-K341 PolarHBondContact O-N 3.33Å | ||
| 342 | Y | 97.3 | Very high | 84.2 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | trans | -75.6 | 130.7 | 177.3 | -179.1 | -113.1 | 0 | 0 | 0 | 110.2 | E277 I281 N284 N333 K336 A337 | E277-Y342 VanDerWaalsContact CD-OH 3.29Å; E277-Y342 PolarHBondContact OE1-OH 2.79Å; E277-Y342 PolarHBondContact OE2-OH 2.94Å; I281-Y342 HydrophobicContact CG1-CE1 4.14Å; N284-Y342 HydrophobicContact CB-CD1 4.49Å; N284-Y342 PolarHBondContact ND2-O 2.8Å; N284-Y342 WeakPolarHBondContact OD1-CB 3.47Å; N284-Y342 PolarHBondContact OD1-N 3.37Å; N284-Y342 PolarHBondContact OD1-O 3.08Å; N333-Y342 HydrophobicContact CB-CD2 4Å; N333-Y342 HydrophobicContact CB-CE2 3.58Å; N333-Y342 WeakPolarHBondContact OD1-CE2 3.25Å; K336-Y342 HydrophobicContact CB-CD2 4.41Å; K336-Y342 PolarHBondContact O-N 2.87Å; A337-Y342 HydrophobicContact CB-CG 4.42Å | ||
| 343 | V | 91.3 | Very high | 82.8 | Confident | 122 Ų | 122 | 49.8 Ų | 49.8 | 74% | 0.739 | 31% | 0.306 | S | S | * | . | trans | -123.9 | 121.9 | 171.4 | -178.9 | 0 | 0 | 0 | 0 | 105.6 | S345 | V343-S345 PolarHBondContact O-N 3.1Š| ||
| 344 | S | 84.2 | Confident | 81.7 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | trans | -64.5 | 124.4 | 177.2 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | E277 G346 | E277-S344 VanDerWaalsContact OE1-CB 3.32Å; E277-S344 WeakPolarHBondContact OE1-CB 3.3Å; E277-S344 PolarHBondContact OE1-OG 3.5Å; S344-G346 VanDerWaalsContact C-N 3.29Å | ||
| 345 | S | 71.1 | Confident | 80.7 | Confident | 94 Ų | 94 | 57 Ų | 57 | 66% | 0.657 | 35% | 0.347 | S | S | * | . | trans | -85.7 | -3.6 | 176.2 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | V343 D347 | V343-S345 PolarHBondContact O-N 3.1Å; S345-D347 PolarHBondContact O-N 2.64Å | ||
| 346 | G | 66.3 | Low | 80 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 78.5 | -12.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S344 K348 | S344-G346 VanDerWaalsContact C-N 3.29Å; G346-K348 PolarHBondContact O-N 2.83Å |
| 347 | D | 62 | Low | 79.3 | Confident | 93 Ų | 93 | 55 Ų | 55 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | trans | -79 | 110.4 | 170.3 | -176.6 | 4.6 | 0 | 0 | 0 | 109.8 | S345 G349 | S345-D347 PolarHBondContact O-N 2.64Å; D347-G349 PolarHBondContact OD1-N 3.28Å | ||
| 348 | K | 64.2 | Low | 78.2 | Confident | 109 Ų | 109 | 58.2 Ų | 58.2 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | trans | -98.5 | -2.1 | -173.3 | -61.7 | -176.3 | -176.5 | -179.4 | 0 | 113.3 | G346 G352 | G346-K348 PolarHBondContact O-N 2.83Å; K348-G352 WeakPolarHBondContact O-CA 3.16Å; K348-G352 PolarHBondContact O-N 3.5Å | ||
| 349 | G | 64 | Low | 77 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 30% | 0.299 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | -172 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E326 D347 A351 | E326-G349 VanDerWaalsContact OE2-CA 3.28Å; E326-G349 WeakPolarHBondContact OE2-CA 3.26Å; D347-G349 PolarHBondContact OD1-N 3.28Å; G349-A351 VanDerWaalsContact C-N 3.32Å; G349-A351 PolarHBondContact O-N 3.31Å |
| 350 | A | 60.6 | Low | 75.9 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 37% | 0.372 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115 | S308 K311 E326 | S308-A350 PolarHBondContact OG-N 2.77Å; K311-A350 HydrophobicContact CD-CB 4.15Å; K311-A350 HydrophobicContact CG-CB 4.47Å; K311-A350 PolarHBondContact NZ-O 2.6Å; E326-A350 PolarHBondContact OE2-N 2.94Å |
| 351 | A | 65.5 | Low | 74.6 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | 7.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A307 S308 K311 G349 G353 E354 | A307-A351 HydrophobicContact CB-CB 4.26Å; S308-A351 PolarHBondContact OG-N 2.7Å; K311-A351 HydrophobicContact CD-CB 3.99Å; G349-A351 VanDerWaalsContact C-N 3.32Å; G349-A351 PolarHBondContact O-N 3.31Å; A351-G353 VanDerWaalsContact C-N 3.26Å; A351-G353 PolarHBondContact O-N 3.18Å; A351-G353 VanDerWaalsContact O-N 3.09Å; A351-E354 WeakPolarHBondContact O-CB 3.09Å; A351-E354 PolarHBondContact O-N 2.78Å |
| 352 | G | 56.7 | Low | 72.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.5 | -163 | 0 | 0 | 0 | 0 | 0 | 116.1 | S275 E276 E277 K348 | S275-G352 WeakPolarHBondContact CB-O 3.4Å; S275-G352 PolarHBondContact OG-O 3.13Å; E276-G352 PolarHBondContact N-O 3.1Å; E276-G352 WeakPolarHBondContact OE2-CA 3.16Å; E277-G352 WeakPolarHBondContact CB-O 3.37Å; E277-G352 PolarHBondContact N-O 3.01Å; K348-G352 WeakPolarHBondContact O-CA 3.16Å; K348-G352 PolarHBondContact O-N 3.5Å |
| 353 | G | 69.4 | Low | 70.9 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -4.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A351 | A351-G353 VanDerWaalsContact C-N 3.26Å; A351-G353 PolarHBondContact O-N 3.18Å; A351-G353 VanDerWaalsContact O-N 3.09Å |
| 354 | E | 75.1 | Confident | 69.8 | Low | 98 Ų | 98 | 57.3 Ų | 57.3 | 46% | 0.458 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -78.9 | 134.7 | -177.3 | -64.4 | 176 | -174 | 0 | 0 | 110 | S275 K311 A351 L356 | S275-E354 VanDerWaalsContact CA-O 3.28Å; S275-E354 WeakPolarHBondContact CA-O 3.39Å; S275-E354 WeakPolarHBondContact CB-O 3.16Å; K311-E354 IonicContact NZ-OE1 2.73Å; K311-E354 PolarHBondContact NZ-OE1 3.49Å; K311-E354 IonicContact NZ-OE2 2.98Å; A351-E354 WeakPolarHBondContact O-CB 3.09Å; A351-E354 PolarHBondContact O-N 2.78Å; E354-L356 PolarHBondContact O-N 3.26Å |
| 355 | S | 77.3 | Confident | 69.1 | Low | 77 Ų | 77 | 57.5 Ų | 57.5 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | trans | -60.5 | 129.7 | 171.8 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | Y357 | S355-Y357 VanDerWaalsContact C-N 3.34Å; S355-Y357 WeakPolarHBondContact OG-CB 3.4Å; S355-Y357 PolarHBondContact OG-N 2.55Å | ||
| 356 | L | 85.4 | Confident | 69 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | trans | -98.8 | 10.5 | 179.1 | -57.5 | 175.1 | 0 | 0 | 0 | 111.5 | G273 Q274 E276 R303 A307 E354 | G273-L356 CarbonylContact O-C 3.6Å; G273-L356 WeakPolarHBondContact O-CA 3.42Å; G273-L356 PolarHBondContact O-N 3.32Å; Q274-L356 WeakPolarHBondContact O-CB 3.46Å; Q274-L356 VanDerWaalsContact O-CD1 3.3Å; Q274-L356 WeakPolarHBondContact O-CD1 3.43Å; E276-L356 HydrophobicContact CG-CD1 4.08Å; R303-L356 HydrophobicContact CB-CB 4.29Å; R303-L356 HydrophobicContact CB-CD1 3.76Å; R303-L356 PolarHBondContact NE-O 3.21Å; R303-L356 PolarHBondContact NH1-O 2.71Å; A307-L356 HydrophobicContact CB-CD1 3.93Å; A307-L356 HydrophobicContact CB-CD2 3.62Å; A307-L356 HydrophobicContact CB-CG 4.47Å; E354-L356 PolarHBondContact O-N 3.26Å | ||
| 357 | Y | 83.4 | Confident | 69.1 | Low | 54 Ų | 54 | 55.5 Ų | 55.5 | 21% | 0.212 | 33% | 0.333 | C | S | . | . | trans | -63.5 | 138.8 | -177.4 | 176 | -103.9 | 0 | 0 | 0 | 112.5 | P192 D193 H237 G273 S355 A359 | P192-Y357 HydrophobicContact CG-CD2 4.24Å; P192-Y357 HydrophobicContact CG-CE2 4.15Å; D193-Y357 PolarHBondContact OD1-OH 3.18Å; H237-Y357 HydrophobicContact CB-CD2 4.39Å; H237-Y357 HydrophobicContact CB-CE2 4.08Å; H237-Y357 AromaticContact CD2-CD1 3.46Å; H237-Y357 VanDerWaalsContact CD2-CD1 3.46Å; H237-Y357 WeakPolarHBondContact CD2-CD1 3.42Å; H237-Y357 AromaticContact CD2-CE1 3.44Å; H237-Y357 VanDerWaalsContact CD2-CE1 3.44Å; H237-Y357 WeakPolarHBondContact CD2-CE1 3.3Å; H237-Y357 AromaticContact CD2-CG 3.94Å; H237-Y357 AromaticContact CD2-CZ 3.91Å; H237-Y357 AromaticContact CE1-CD1 3.83Å; H237-Y357 AromaticContact CE1-CG 3.77Å; H237-Y357 AromaticContact CG-CD1 3.92Å; H237-Y357 AromaticContact CG-CE1 3.96Å; H237-Y357 AromaticContact CG-CG 3.93Å; H237-Y357 AromaticContact ND1-CG 3.83Å; H237-Y357 AromaticContact NE2-CD1 3.39Å; H237-Y357 WeakPolarHBondContact NE2-CD1 3.15Å; H237-Y357 AromaticContact NE2-CE1 3.87Å; H237-Y357 AromaticContact NE2-CG 3.83Å; G273-Y357 PolarHBondContact O-N 3.24Å; S355-Y357 VanDerWaalsContact C-N 3.34Å; S355-Y357 WeakPolarHBondContact OG-CB 3.4Å; S355-Y357 PolarHBondContact OG-N 2.55Å; Y357-A359 HydrophobicContact CE1-CB 3.94Å | ||
| 358 | V | 75.1 | Confident | 69.6 | Low | 68 Ų | 68 | 53.2 Ų | 53.2 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | trans | -133.3 | 118.2 | 172 | 175.7 | 0 | 0 | 0 | 0 | 106.1 | N360 H361 | V358-N360 PolarHBondContact O-N 3.22Å; V358-H361 HydrophobicContact CB-CB 4.16Å; V358-H361 HydrophobicContact CG1-CB 4.29Å; V358-H361 WeakPolarHBondContact O-CB 3.36Å; V358-H361 PolarHBondContact O-N 3.18Å | ||
| 359 | A | 73.3 | Confident | 69.9 | Low | 58 Ų | 58 | 49.5 Ų | 49.5 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 136.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y357 H361 | Y357-A359 HydrophobicContact CE1-CB 3.94Å; A359-H361 VanDerWaalsContact C-N 3.26Å; A359-H361 PolarHBondContact O-N 2.9Å |
| 360 | N | 74.6 | Confident | 70.3 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 43 | -179.3 | -53.2 | -66.8 | 0 | 0 | 0 | 113 | K152 D193 V358 A362 | K152-N360 PolarHBondContact NZ-OD1 3.36Å; D193-N360 PolarHBondContact OD1-N 3.1Å; D193-N360 PolarHBondContact OD1-OD1 2.66Å; V358-N360 PolarHBondContact O-N 3.22Å; N360-A362 PolarHBondContact O-N 3.34Å |
| 361 | H | 70.8 | Confident | 71.1 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 10% | 0.102 | 31% | 0.309 | C | S | . | . | trans | -64.1 | 110.9 | -175.8 | -168.9 | 61.2 | 0 | 0 | 0 | 112.7 | R148 V358 A359 Y363 | R148-H361 PolarHBondContact NH2-O 3.48Å; V358-H361 HydrophobicContact CB-CB 4.16Å; V358-H361 HydrophobicContact CG1-CB 4.29Å; V358-H361 WeakPolarHBondContact O-CB 3.36Å; V358-H361 PolarHBondContact O-N 3.18Å; A359-H361 VanDerWaalsContact C-N 3.26Å; A359-H361 PolarHBondContact O-N 2.9Å; H361-Y363 AromaticContact CD2-CE2 3.98Å; H361-Y363 AromaticContact CD2-CZ 3.96Å; H361-Y363 AromaticContact NE2-CE1 3.56Å; H361-Y363 AromaticContact NE2-CE2 3.93Å; H361-Y363 AromaticContact NE2-CZ 3.52Å | ||
| 362 | A | 62.9 | Low | 71.6 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 33% | 0.331 | 33% | 0.331 | S | S | . | . | trans | -118.4 | 139.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | V112 N360 | V112-A362 HydrophobicContact CG2-CB 3.94Å; N360-A362 PolarHBondContact O-N 3.34Å | ||
| 363 | Y | 54.7 | Low | 72.9 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 31% | 0.306 | 36% | 0.362 | S | S | . | . | trans | -84.5 | 0 | -174.1 | -77.3 | -82.1 | 0 | 0 | 0 | 114.6 | S36 S39 R148 H361 | S36-Y363 PolarHBondContact OG-OXT 3.04Å; S39-Y363 WeakPolarHBondContact OG-CA 3.38Å; S39-Y363 VanDerWaalsContact OG-CD1 3.29Å; S39-Y363 WeakPolarHBondContact OG-CD1 3.44Å; S39-Y363 PolarHBondContact OG-OXT 3.2Å; R148-Y363 VanDerWaalsContact CD-CD2 3.49Å; H361-Y363 AromaticContact CD2-CE2 3.98Å; H361-Y363 AromaticContact CD2-CZ 3.96Å; H361-Y363 AromaticContact NE2-CE1 3.56Å; H361-Y363 AromaticContact NE2-CE2 3.93Å; H361-Y363 AromaticContact NE2-CZ 3.52Å |
Retrieved 363 of 363 residues in 550.3 ms
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