| 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 | 35.4 | Very low | 49.5 | Very low | 233 Ų | 233 | 155.6 Ų | 155.6 | 100% | 1.148 | 75% | 0.75 | S | S | * | * | 0 | 123 | 0 | -73 | 168.9 | 168.6 | 0 | 0 | 107.8 | |||||
| 2 | L | 31 | Very low | 53.1 | Low | 171 Ų | 171 | 143.8 Ų | 143.8 | 90% | 0.895 | 70% | 0.7 | S | S | * | * | trans | -152 | 88.5 | 169.4 | -103 | 170.3 | 0 | 0 | 0 | 104.7 | S4 | L2-S4 PolarHBondContact O-N 3.41Š| ||
| 3 | D | 35.1 | Very low | 56.2 | Low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | -71.2 | 100.9 | -176.2 | -67.2 | -33.3 | 0 | 0 | 0 | 109.2 | Q5 | D3-Q5 VanDerWaalsContact C-N 3.34Å; D3-Q5 PolarHBondContact O-N 2.94Å | ||
| 4 | S | 35.7 | Very low | 59 | Low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | trans | -65.6 | 97.7 | 166.2 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | L2 H6 | L2-S4 PolarHBondContact O-N 3.41Å; S4-H6 PolarHBondContact O-N 2.99Å | ||
| 5 | Q | 35.3 | Very low | 61.4 | Low | 187 Ų | 187 | 128.2 Ų | 128.2 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | trans | -60.2 | 84.5 | 177.2 | -71 | -173.1 | -5.6 | 0 | 0 | 110.5 | D3 Q7 | D3-Q5 VanDerWaalsContact C-N 3.34Å; D3-Q5 PolarHBondContact O-N 2.94Å; Q5-Q7 PolarHBondContact O-N 3.14Å | ||
| 6 | H | 40.2 | Very low | 63.6 | Low | 164 Ų | 164 | 123.1 Ų | 123.1 | 76% | 0.759 | 62% | 0.62 | S | S | * | * | trans | -62.7 | 94.8 | 159.6 | -86.9 | 59.2 | 0 | 0 | 0 | 106.3 | S4 Q8 | S4-H6 PolarHBondContact O-N 2.99Å; H6-Q8 VanDerWaalsContact C-N 3.34Å; H6-Q8 PolarHBondContact O-N 3.35Å | ||
| 7 | Q | 40.6 | Very low | 65.6 | Low | 189 Ų | 189 | 122.1 Ų | 122.1 | 88% | 0.883 | 62% | 0.616 | S | S | * | * | trans | -57.3 | 98.1 | 176.6 | -166.3 | 174 | 32.7 | 0 | 0 | 107.4 | Q5 R9 | Q5-Q7 PolarHBondContact O-N 3.14Å; Q7-R9 PolarHBondContact O-N 2.83Å | ||
| 8 | Q | 54.8 | Low | 67.3 | Low | 165 Ų | 165 | 117.9 Ų | 117.9 | 77% | 0.771 | 60% | 0.6 | S | S | * | * | trans | -57.8 | 114.7 | -167.6 | -80.2 | -172 | -14.7 | 0 | 0 | 109.2 | H6 H10 | H6-Q8 VanDerWaalsContact C-N 3.34Å; H6-Q8 PolarHBondContact O-N 3.35Å; Q8-H10 PolarHBondContact O-N 3.31Å | ||
| 9 | R | 68.1 | Low | 68.9 | Low | 194 Ų | 194 | 116.4 Ų | 116.4 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | trans | -64.6 | 106.4 | -173.9 | -162.3 | 173.9 | -165.6 | 160.1 | 5.2 | 108 | Q7 Y11 | Q7-R9 PolarHBondContact O-N 2.83Å; R9-Y11 HydrophobicContact CB-CE2 4.01Å; R9-Y11 HydrophobicContact CG-CE2 4.31Å; R9-Y11 WeakPolarHBondContact O-CD2 3.14Å; R9-Y11 VanDerWaalsContact O-CE2 3.26Å; R9-Y11 WeakPolarHBondContact O-CE2 3.4Å; R9-Y11 PolarHBondContact O-N 3.12Å | ||
| 10 | H | 78.6 | Confident | 70.3 | Confident | 111 Ų | 111 | 113.8 Ų | 113.8 | 51% | 0.514 | 59% | 0.59 | S | S | . | * | trans | -73.3 | 121.2 | -176.6 | -171.1 | -79.4 | 0 | 0 | 0 | 109.7 | Q8 G12 T14 S15 | Q8-H10 PolarHBondContact O-N 3.31Å; H10-G12 PolarHBondContact CE1-O 2.83Å; H10-G12 VanDerWaalsContact CE1-O 3.27Å; H10-G12 PolarHBondContact ND1-O 2.88Å; H10-T14 VanDerWaalsContact CE1-C 3.48Å; H10-T14 PolarHBondContact CE1-O 3.04Å; H10-T14 VanDerWaalsContact CE1-O 3.26Å; H10-S15 WeakPolarHBondContact NE2-CA 3.34Å | ||
| 11 | Y | 90 | Very high | 71.5 | Confident | 53 Ų | 53 | 112.6 Ų | 112.6 | 21% | 0.208 | 59% | 0.591 | C | S | . | * | trans | -104.7 | 128.6 | 179.2 | -68.2 | -90.4 | 0 | 0 | 0 | 110.4 | R9 L204 V205 P206 | R9-Y11 HydrophobicContact CB-CE2 4.01Å; R9-Y11 HydrophobicContact CG-CE2 4.31Å; R9-Y11 WeakPolarHBondContact O-CD2 3.14Å; R9-Y11 VanDerWaalsContact O-CE2 3.26Å; R9-Y11 WeakPolarHBondContact O-CE2 3.4Å; R9-Y11 PolarHBondContact O-N 3.12Å; Y11-L204 WeakPolarHBondContact CD1-O 3.46Å; Y11-V205 WeakPolarHBondContact CE1-O 3.5Å; Y11-P206 HydrophobicContact CD1-CG 4.35Å; Y11-P206 HydrophobicContact CD2-CB 4.19Å; Y11-P206 HydrophobicContact CD2-CG 3.78Å; Y11-P206 HydrophobicContact CE2-CB 4.09Å; Y11-P206 HydrophobicContact CE2-CG 4.18Å; Y11-P206 HydrophobicContact CG-CG 3.88Å | ||
| 12 | G | 91.9 | Very high | 74.5 | Confident | 14 Ų | 14 | 103.6 Ų | 103.6 | 14% | 0.144 | 55% | 0.549 | C | S | . | . | S | Bend | trans | 86.8 | 176.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H10 T14 L278 | H10-G12 PolarHBondContact CE1-O 2.83Å; H10-G12 VanDerWaalsContact CE1-O 3.27Å; H10-G12 PolarHBondContact ND1-O 2.88Å; G12-T14 VanDerWaalsContact C-N 3.34Å; G12-L278 WeakPolarHBondContact CA-O 3.36Å |
| 13 | I | 94.4 | Very high | 77.6 | Confident | 51 Ų | 51 | 102.4 Ų | 102.4 | 26% | 0.262 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -82.6 | -4.2 | -176.9 | 57.6 | 154 | 0 | 0 | 0 | 114.8 | L277 K279 Q280 | I13-L277 HydrophobicContact CD1-CB 3.92Å; I13-L277 HydrophobicContact CD1-CD1 4.2Å; I13-L277 HydrophobicContact CG1-CB 4.38Å; I13-L277 HydrophobicContact CG2-CB 4.29Å; I13-K279 WeakPolarHBondContact CG2-O 3.35Å; I13-Q280 HydrophobicContact CG2-CG 4.05Å |
| 14 | T | 95 | Very high | 80.6 | Confident | 61 Ų | 61 | 102.8 Ų | 102.8 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -141.4 | 157.1 | 179.6 | 62.8 | 0 | 0 | 0 | 0 | 109.5 | H10 G12 R246 | H10-T14 VanDerWaalsContact CE1-C 3.48Å; H10-T14 PolarHBondContact CE1-O 3.04Å; H10-T14 VanDerWaalsContact CE1-O 3.26Å; G12-T14 VanDerWaalsContact C-N 3.34Å; T14-R246 PolarHBondContact OG1-NH2 3.15Å |
| 15 | S | 95.3 | Very high | 83.5 | Confident | 85 Ų | 85 | 102 Ų | 102 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | trans | -58.1 | 153.9 | 169.4 | -49.5 | 0 | 0 | 0 | 0 | 112.1 | H10 | H10-S15 WeakPolarHBondContact NE2-CA 3.34Š| ||
| 16 | P | 96.8 | Very high | 86.4 | Confident | 46 Ų | 46 | 94.2 Ų | 94.2 | 30% | 0.299 | 49% | 0.486 | S | S | . | . | trans | -60.8 | 150.1 | 173.2 | -26.3 | 37 | 0 | 0 | 0 | 113.3 | L19 P252 | P16-L19 HydrophobicContact CB-CD2 3.87Å; P16-L19 HydrophobicContact CG-CD2 3.88Å; P16-P252 HydrophobicContact CB-CG 4.16Å; P16-P252 HydrophobicContact CG-CG 4.06Å | ||
| 17 | I | 97.3 | Very high | 89.2 | Confident | 106 Ų | 106 | 91.4 Ų | 91.4 | 54% | 0.544 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -78.5 | -31.6 | 174.8 | -62.5 | 171.7 | 0 | 0 | 0 | 110.7 | L250 Y251 | I17-L250 HydrophobicContact CD1-CB 4.08Å; I17-L250 HydrophobicContact CD1-CD1 4.09Å; I17-L250 HydrophobicContact CD1-CD2 4.04Å; I17-L250 HydrophobicContact CD1-CG 4.28Å; I17-L250 HydrophobicContact CG1-CB 4.25Å; I17-L250 HydrophobicContact CG1-CD2 4.03Å; I17-L250 PolarHBondContact N-O 3.39Å; I17-Y251 HydrophobicContact CB-CE1 3.92Å; I17-Y251 HydrophobicContact CB-CE2 4.48Å; I17-Y251 HydrophobicContact CD1-CE2 4.26Å; I17-Y251 HydrophobicContact CG2-CE1 3.93Å; I17-Y251 WeakPolarHBondContact CG2-OH 3.48Å |
| 18 | S | 96.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 86.5 Ų | 86.5 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | trans | -153.1 | 137.7 | 171.8 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | A20 L250 | S18-A20 WeakPolarHBondContact OG-CB 3.39Å; S18-A20 PolarHBondContact OG-N 3.31Å; S18-A20 VanDerWaalsContact OG-N 3.14Å; S18-L250 PolarHBondContact N-O 3.28Å | ||
| 19 | L | 96.3 | Very high | 94 | Very high | 89 Ų | 89 | 79.9 Ų | 79.9 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | trans | -96.6 | 8.4 | 171.6 | -59.8 | 180 | 0 | 0 | 0 | 112.6 | P16 C21 P252 N253 | P16-L19 HydrophobicContact CB-CD2 3.87Å; P16-L19 HydrophobicContact CG-CD2 3.88Å; L19-C21 PolarHBondContact O-N 2.86Å; L19-P252 HydrophobicContact CD2-CG 3.57Å; L19-N253 PolarHBondContact O-ND2 3.06Å | ||
| 20 | A | 96.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 71.5 Ų | 71.5 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 126.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S18 | S18-A20 WeakPolarHBondContact OG-CB 3.39Å; S18-A20 PolarHBondContact OG-N 3.31Å; S18-A20 VanDerWaalsContact OG-N 3.14Å |
| 21 | C | 96.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 70.5 Ų | 70.5 | 61% | 0.608 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 162.6 | 170.4 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | L19 | L19-C21 PolarHBondContact O-N 2.86Š|
| 22 | P | 96.9 | Very high | 96.8 | Very high | 43 Ų | 43 | 72.3 Ų | 72.3 | 28% | 0.279 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -73 | 159.5 | -179 | -6 | 25.1 | 0 | 0 | 0 | 111 | D26 N253 A255 | P22-D26 HydrophobicContact CB-CB 3.89Å; P22-N253 WeakPolarHBondContact CD-O 3.31Å; P22-N253 WeakPolarHBondContact CG-O 3.23Å; P22-A255 HydrophobicContact CB-CB 3.83Å; P22-A255 HydrophobicContact CG-CB 3.93Å |
| 23 | K | 97.1 | Very high | 97.1 | Very high | 147 Ų | 147 | 71.8 Ų | 71.8 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -101.1 | 164.6 | 169.9 | -60.4 | 175.6 | -177.6 | 179.6 | 0 | 110 | I25 D26 H27 | K23-I25 HydrophobicContact CB-CG2 3.99Å; K23-I25 PolarHBondContact O-N 2.93Å; K23-D26 WeakPolarHBondContact CB-OD2 3.47Å; K23-D26 PolarHBondContact N-OD2 3.44Å; K23-D26 WeakPolarHBondContact O-CB 3.24Å; K23-D26 PolarHBondContact O-N 3.39Å; K23-H27 PolarHBondContact O-CD2 3.3Å; K23-H27 VanDerWaalsContact O-CD2 3.28Å; K23-H27 PolarHBondContact O-N 3.48Å |
| 24 | E | 97.3 | Very high | 97.3 | Very high | 156 Ų | 156 | 71.1 Ų | 71.1 | 73% | 0.729 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -39 | -48.1 | 169.8 | -157.6 | 72.1 | -132.1 | 0 | 0 | 112.6 | D26 H27 I28 | E24-D26 PolarHBondContact O-N 3.3Å; E24-H27 WeakPolarHBondContact O-CB 3.36Å; E24-H27 PolarHBondContact O-N 3.3Å; E24-I28 WeakPolarHBondContact O-CG1 3.34Å; E24-I28 PolarHBondContact O-N 3.06Å |
| 25 | I | 96.9 | Very high | 97.4 | Very high | 79 Ų | 79 | 71.5 Ų | 71.5 | 41% | 0.405 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.4 | -31.3 | -178.9 | -170.4 | 58.5 | 0 | 0 | 0 | 113.7 | K23 H27 I28 Y29 | K23-I25 HydrophobicContact CB-CG2 3.99Å; K23-I25 PolarHBondContact O-N 2.93Å; I25-H27 VanDerWaalsContact C-N 3.33Å; I25-I28 HydrophobicContact CD1-CB 4.4Å; I25-I28 HydrophobicContact CD1-CD1 4.46Å; I25-I28 PolarHBondContact O-N 2.89Å; I25-Y29 HydrophobicContact CD1-CD2 4.03Å; I25-Y29 HydrophobicContact CD1-CE2 3.75Å; I25-Y29 HydrophobicContact CG1-CD2 3.83Å; I25-Y29 HydrophobicContact CG1-CE2 3.63Å; I25-Y29 VanDerWaalsContact O-CD2 3.24Å; I25-Y29 WeakPolarHBondContact O-CD2 3.25Å; I25-Y29 PolarHBondContact O-N 2.92Å |
| 26 | D | 97.3 | Very high | 97.5 | Very high | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 174.8 | -65.3 | -74.9 | 0 | 0 | 0 | 111 | P22 K23 E24 T30 A255 S257 T258 | P22-D26 HydrophobicContact CB-CB 3.89Å; K23-D26 WeakPolarHBondContact CB-OD2 3.47Å; K23-D26 PolarHBondContact N-OD2 3.44Å; K23-D26 WeakPolarHBondContact O-CB 3.24Å; K23-D26 PolarHBondContact O-N 3.39Å; E24-D26 PolarHBondContact O-N 3.3Å; D26-T30 WeakPolarHBondContact O-CB 3.44Å; D26-T30 PolarHBondContact O-N 3.19Å; D26-T30 PolarHBondContact O-OG1 3.39Å; D26-A255 HydrophobicContact CB-CB 4.15Å; D26-S257 PolarHBondContact O-OG 2.91Å; D26-T258 PolarHBondContact OD1-OG1 3.3Å |
| 27 | H | 97.9 | Very high | 97.6 | Very high | 105 Ų | 105 | 66.4 Ų | 66.4 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 172.7 | -65.2 | -76.8 | 0 | 0 | 0 | 111.5 | K23 E24 I25 Y29 T30 Q31 | K23-H27 PolarHBondContact O-CD2 3.3Å; K23-H27 VanDerWaalsContact O-CD2 3.28Å; K23-H27 PolarHBondContact O-N 3.48Å; E24-H27 WeakPolarHBondContact O-CB 3.36Å; E24-H27 PolarHBondContact O-N 3.3Å; I25-H27 VanDerWaalsContact C-N 3.33Å; H27-Y29 PolarHBondContact O-N 2.82Å; H27-T30 WeakPolarHBondContact O-CA 3.37Å; H27-T30 WeakPolarHBondContact O-CB 3.39Å; H27-T30 PolarHBondContact O-N 3.11Å; H27-Q31 PolarHBondContact O-N 3.07Å |
| 28 | I | 98 | Very high | 97.5 | Very high | 86 Ų | 86 | 67 Ų | 67 | 44% | 0.441 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 174.1 | -65.3 | 167.8 | 0 | 0 | 0 | 111.1 | E24 I25 T30 Q31 K32 | E24-I28 WeakPolarHBondContact O-CG1 3.34Å; E24-I28 PolarHBondContact O-N 3.06Å; I25-I28 HydrophobicContact CD1-CB 4.4Å; I25-I28 HydrophobicContact CD1-CD1 4.46Å; I25-I28 PolarHBondContact O-N 2.89Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 2.86Å; I28-Q31 PolarHBondContact O-N 2.88Å; I28-K32 PolarHBondContact O-N 2.82Å |
| 29 | Y | 98.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 69.8 Ų | 69.8 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.5 | -28.9 | 174.3 | -80.5 | -63.6 | 0 | 0 | 0 | 113.1 | I25 H27 K32 L33 I342 L343 G345 W349 | I25-Y29 HydrophobicContact CD1-CD2 4.03Å; I25-Y29 HydrophobicContact CD1-CE2 3.75Å; I25-Y29 HydrophobicContact CG1-CD2 3.83Å; I25-Y29 HydrophobicContact CG1-CE2 3.63Å; I25-Y29 VanDerWaalsContact O-CD2 3.24Å; I25-Y29 WeakPolarHBondContact O-CD2 3.25Å; I25-Y29 PolarHBondContact O-N 2.92Å; H27-Y29 PolarHBondContact O-N 2.82Å; Y29-K32 HydrophobicContact CD1-CD 4.27Å; Y29-L33 WeakPolarHBondContact O-CB 3.34Å; Y29-L33 PolarHBondContact O-N 2.68Å; Y29-I342 HydrophobicContact CD1-CG2 4.15Å; Y29-I342 HydrophobicContact CE1-CG2 4.12Å; Y29-I342 VanDerWaalsContact CE1-O 3.25Å; Y29-I342 WeakPolarHBondContact CE1-O 3.46Å; Y29-I342 VanDerWaalsContact CZ-O 3.28Å; Y29-I342 PolarHBondContact OH-O 3.36Å; Y29-I342 VanDerWaalsContact OH-O 3.06Å; Y29-L343 HydrophobicContact CD2-CD2 3.92Å; Y29-L343 HydrophobicContact CE2-CD2 4.32Å; Y29-L343 HydrophobicContact CG-CD2 4.07Å; Y29-G345 WeakPolarHBondContact OH-CA 3.2Å; Y29-G345 PolarHBondContact OH-N 3.16Å; Y29-W349 PolarHBondContact O-NE1 3.09Å |
| 30 | T | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 69.1 Ų | 69.1 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 174.2 | -63.8 | 0 | 0 | 0 | 0 | 111 | D26 H27 I28 L33 I34 L213 A256 S257 | D26-T30 WeakPolarHBondContact O-CB 3.44Å; D26-T30 PolarHBondContact O-N 3.19Å; D26-T30 PolarHBondContact O-OG1 3.39Å; H27-T30 WeakPolarHBondContact O-CA 3.37Å; H27-T30 WeakPolarHBondContact O-CB 3.39Å; H27-T30 PolarHBondContact O-N 3.11Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 2.86Å; T30-L33 WeakPolarHBondContact O-CB 3.46Å; T30-L33 PolarHBondContact O-N 3.2Å; T30-I34 HydrophobicContact CG2-CD1 4.31Å; T30-I34 WeakPolarHBondContact O-CG1 3.45Å; T30-I34 PolarHBondContact O-N 3.38Å; T30-L213 HydrophobicContact CG2-CD2 3.64Å; T30-A256 HydrophobicContact CG2-CB 4.08Å; T30-S257 WeakPolarHBondContact OG1-CB 3.29Å; T30-S257 PolarHBondContact OG1-N 2.75Å; T30-S257 PolarHBondContact OG1-OG 2.81Å |
| 31 | Q | 98.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 67.5 Ų | 67.5 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -47.4 | 174.1 | -173.7 | 52.9 | 47.7 | 0 | 0 | 111.2 | H27 I28 L33 I34 D35 | H27-Q31 PolarHBondContact O-N 3.07Å; I28-Q31 PolarHBondContact O-N 2.88Å; Q31-L33 PolarHBondContact O-N 2.99Å; Q31-I34 WeakPolarHBondContact O-CB 3.49Å; Q31-I34 PolarHBondContact O-N 3.48Å; Q31-I34 VanDerWaalsContact O-N 3.09Å; Q31-D35 VanDerWaalsContact NE2-CG 3.26Å; Q31-D35 PolarHBondContact NE2-OD1 3.3Å; Q31-D35 VanDerWaalsContact NE2-OD1 3.15Å; Q31-D35 PolarHBondContact NE2-OD2 2.87Å; Q31-D35 PolarHBondContact O-N 3.28Å |
| 32 | K | 98.3 | Very high | 97 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.5 | -34.2 | 172.3 | -74.4 | -172.2 | 161.1 | -153.9 | 0 | 113.2 | I28 Y29 A36 D348 | I28-K32 PolarHBondContact O-N 2.82Å; Y29-K32 HydrophobicContact CD1-CD 4.27Å; K32-A36 VanDerWaalsContact O-CB 3.31Å; K32-A36 WeakPolarHBondContact O-CB 3.39Å; K32-A36 PolarHBondContact O-N 3.29Å; K32-D348 IonicContact NZ-OD1 2.92Å; K32-D348 PolarHBondContact NZ-OD1 3.02Å |
| 33 | L | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.6 | -45 | 176.6 | 174.3 | 58.9 | 0 | 0 | 0 | 111.2 | Y29 T30 Q31 D35 A36 M37 A217 V260 W349 | Y29-L33 WeakPolarHBondContact O-CB 3.34Å; Y29-L33 PolarHBondContact O-N 2.68Å; T30-L33 WeakPolarHBondContact O-CB 3.46Å; T30-L33 PolarHBondContact O-N 3.2Å; Q31-L33 PolarHBondContact O-N 2.99Å; L33-D35 VanDerWaalsContact C-N 3.34Å; L33-D35 PolarHBondContact O-N 3.13Å; L33-A36 PolarHBondContact O-N 3.09Å; L33-M37 HydrophobicContact CD1-CE 4.26Å; L33-M37 HydrophobicContact CD1-CG 4.35Å; L33-M37 HydrophobicContact CD1-SD 4.28Å; L33-M37 HydrophobicContact CG-CE 3.97Å; L33-M37 WeakPolarHBondContact O-CB 3.44Å; L33-M37 VanDerWaalsContact O-CG 3.32Å; L33-M37 WeakPolarHBondContact O-CG 3.43Å; L33-M37 PolarHBondContact O-N 2.97Å; L33-M37 VanDerWaalsContact O-N 3.17Å; L33-A217 HydrophobicContact CD1-CB 4.07Å; L33-A217 HydrophobicContact CD2-CB 4.25Å; L33-V260 HydrophobicContact CD2-CG2 3.95Å; L33-W349 HydrophobicContact CB-CD2 4.08Å; L33-W349 HydrophobicContact CB-CG 4.13Å; L33-W349 HydrophobicContact CB-CZ2 4.34Å; L33-W349 HydrophobicContact CD1-CB 4.41Å; L33-W349 HydrophobicContact CD1-CD2 3.82Å; L33-W349 HydrophobicContact CD1-CE3 3.85Å; L33-W349 HydrophobicContact CD1-CG 4.08Å; L33-W349 HydrophobicContact CD1-CZ3 4.37Å; L33-W349 HydrophobicContact CG-CD2 4.44Å; L33-W349 VanDerWaalsContact N-CD1 3.35Å |
| 34 | I | 98.3 | Very high | 96.6 | Very high | 37 Ų | 37 | 59 Ų | 59 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.6 | -49.2 | 173.5 | -68.8 | 161.6 | 0 | 0 | 0 | 110.1 | T30 Q31 A36 M37 K38 F43 L213 | T30-I34 HydrophobicContact CG2-CD1 4.31Å; T30-I34 WeakPolarHBondContact O-CG1 3.45Å; T30-I34 PolarHBondContact O-N 3.38Å; Q31-I34 WeakPolarHBondContact O-CB 3.49Å; Q31-I34 PolarHBondContact O-N 3.48Å; Q31-I34 VanDerWaalsContact O-N 3.09Å; I34-A36 PolarHBondContact O-N 3.34Å; I34-M37 WeakPolarHBondContact O-CB 3.24Å; I34-M37 PolarHBondContact O-N 2.96Å; I34-K38 PolarHBondContact O-N 3.25Å; I34-F43 HydrophobicContact CG2-CE2 4.23Å; I34-F43 HydrophobicContact CG2-CZ 4.13Å; I34-L213 HydrophobicContact CD1-CD2 3.88Å; I34-L213 HydrophobicContact CG1-CD1 3.72Å; I34-L213 HydrophobicContact CG1-CD2 3.85Å; I34-L213 HydrophobicContact CG1-CG 4.43Å |
| 35 | D | 98 | Very high | 96.2 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.3 | -35.5 | -176.4 | -65.4 | -40.2 | 0 | 0 | 0 | 113 | Q31 L33 M37 K38 P39 | Q31-D35 VanDerWaalsContact NE2-CG 3.26Å; Q31-D35 PolarHBondContact NE2-OD1 3.3Å; Q31-D35 VanDerWaalsContact NE2-OD1 3.15Å; Q31-D35 PolarHBondContact NE2-OD2 2.87Å; Q31-D35 PolarHBondContact O-N 3.28Å; L33-D35 VanDerWaalsContact C-N 3.34Å; L33-D35 PolarHBondContact O-N 3.13Å; D35-M37 PolarHBondContact O-N 3.06Å; D35-K38 WeakPolarHBondContact OD1-CE 3.42Å; D35-K38 IonicContact OD1-NZ 3.66Å; D35-K38 PolarHBondContact OD1-NZ 2.81Å; D35-P39 WeakPolarHBondContact O-CD 3.21Å |
| 36 | A | 97.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 21% | 0.207 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68 | -20.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K32 L33 I34 F40 W349 | K32-A36 VanDerWaalsContact O-CB 3.31Å; K32-A36 WeakPolarHBondContact O-CB 3.39Å; K32-A36 PolarHBondContact O-N 3.29Å; L33-A36 PolarHBondContact O-N 3.09Å; I34-A36 PolarHBondContact O-N 3.34Å; A36-F40 WeakPolarHBondContact O-CD2 3.44Å; A36-F40 WeakPolarHBondContact O-CE2 3.49Å; A36-W349 HydrophobicContact CB-CB 3.65Å |
| 37 | M | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -90.9 | -31.3 | 179 | -76.9 | -166.8 | -58.8 | 0 | 0 | 113.9 | L33 I34 D35 P39 F40 V42 F43 L213 A217 L220 L353 | L33-M37 HydrophobicContact CD1-CE 4.26Å; L33-M37 HydrophobicContact CD1-CG 4.35Å; L33-M37 HydrophobicContact CD1-SD 4.28Å; L33-M37 HydrophobicContact CG-CE 3.97Å; L33-M37 WeakPolarHBondContact O-CB 3.44Å; L33-M37 VanDerWaalsContact O-CG 3.32Å; L33-M37 WeakPolarHBondContact O-CG 3.43Å; L33-M37 PolarHBondContact O-N 2.97Å; L33-M37 VanDerWaalsContact O-N 3.17Å; I34-M37 WeakPolarHBondContact O-CB 3.24Å; I34-M37 PolarHBondContact O-N 2.96Å; D35-M37 PolarHBondContact O-N 3.06Å; M37-P39 VanDerWaalsContact C-CD 3.4Å; M37-P39 VanDerWaalsContact C-N 3.33Å; M37-F40 PolarHBondContact O-N 2.96Å; M37-V42 HydrophobicContact CB-CG2 3.7Å; M37-V42 HydrophobicContact CG-CG2 4.3Å; M37-V42 HydrophobicContact SD-CG2 4.31Å; M37-F43 HydrophobicContact CB-CE2 3.97Å; M37-F43 HydrophobicContact CE-CE2 4.38Å; M37-F43 HydrophobicContact CE-CZ 3.98Å; M37-L213 HydrophobicContact CE-CD1 3.54Å; M37-A217 HydrophobicContact CE-CB 4.27Å; M37-A217 WeakPolarHBondContact SD-CA 3.27Å; M37-A217 HydrophobicContact SD-CB 3.6Å; M37-L220 HydrophobicContact CB-CD2 4.49Å; M37-L220 HydrophobicContact CG-CD2 3.98Å; M37-L353 HydrophobicContact CG-CD1 4.41Å |
| 38 | K | 95.3 | Very high | 95.4 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -45.8 | -44.6 | -179.8 | -77.2 | 172.1 | 179.9 | 164.6 | 0 | 114.5 | I34 D35 F40 G41 F43 | I34-K38 PolarHBondContact O-N 3.25Å; D35-K38 WeakPolarHBondContact OD1-CE 3.42Å; D35-K38 IonicContact OD1-NZ 3.66Å; D35-K38 PolarHBondContact OD1-NZ 2.81Å; K38-F40 PolarHBondContact O-N 2.98Å; K38-G41 PolarHBondContact O-N 2.72Å; K38-F43 HydrophobicContact CG-CD2 4.27Å; K38-F43 HydrophobicContact CG-CE2 4.37Å |
| 39 | P | 95.4 | Very high | 95.1 | Very high | 107 Ų | 107 | 63.6 Ų | 63.6 | 70% | 0.695 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -65.5 | -8.5 | -178.6 | -22.7 | 35.2 | 0 | 0 | 0 | 115.6 | D35 M37 | D35-P39 WeakPolarHBondContact O-CD 3.21Å; M37-P39 VanDerWaalsContact C-CD 3.4Å; M37-P39 VanDerWaalsContact C-N 3.33Å |
| 40 | F | 94.8 | Very high | 94.9 | Very high | 76 Ų | 76 | 67 Ų | 67 | 33% | 0.333 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -101.2 | 9.7 | -177.3 | -63 | -79.6 | 0 | 0 | 0 | 113.9 | A36 M37 K38 V42 L220 L353 | A36-F40 WeakPolarHBondContact O-CD2 3.44Å; A36-F40 WeakPolarHBondContact O-CE2 3.49Å; M37-F40 PolarHBondContact O-N 2.96Å; K38-F40 PolarHBondContact O-N 2.98Å; F40-V42 HydrophobicContact CB-CG1 4.08Å; F40-V42 PolarHBondContact O-N 2.91Å; F40-V42 VanDerWaalsContact O-N 3.15Å; F40-L220 HydrophobicContact CB-CD1 3.82Å; F40-L220 HydrophobicContact CB-CD2 3.84Å; F40-L220 HydrophobicContact CD1-CD1 4.26Å; F40-L220 HydrophobicContact CD2-CD2 3.76Å; F40-L220 HydrophobicContact CG-CD1 4.02Å; F40-L220 HydrophobicContact CG-CD2 3.86Å; F40-L353 HydrophobicContact CD2-CD1 4.12Å; F40-L353 HydrophobicContact CE2-CB 4.35Å; F40-L353 HydrophobicContact CE2-CD1 3.7Å; F40-L353 HydrophobicContact CZ-CB 4.33Å; F40-L353 HydrophobicContact CZ-CD1 4.48Å |
| 41 | G | 93.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 16.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K38 F43 K101 | K38-G41 PolarHBondContact O-N 2.72Å; G41-F43 PolarHBondContact O-N 3.42Å; G41-K101 PolarHBondContact O-N 2.8Å |
| 42 | V | 94.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | trans | -84.8 | 17 | -177.9 | -53.6 | 0 | 0 | 0 | 0 | 114 | M37 F40 T100 R216 L220 | M37-V42 HydrophobicContact CB-CG2 3.7Å; M37-V42 HydrophobicContact CG-CG2 4.3Å; M37-V42 HydrophobicContact SD-CG2 4.31Å; F40-V42 HydrophobicContact CB-CG1 4.08Å; F40-V42 PolarHBondContact O-N 2.91Å; F40-V42 VanDerWaalsContact O-N 3.15Å; V42-T100 HydrophobicContact CB-CG2 4.27Å; V42-T100 HydrophobicContact CG1-CG2 4.07Å; V42-R216 WeakPolarHBondContact O-CD 3.47Å; V42-R216 PolarHBondContact O-NH1 2.98Å; V42-L220 HydrophobicContact CG1-CB 4.25Å; V42-L220 HydrophobicContact CG1-CD1 3.91Å; V42-L220 HydrophobicContact CG1-CD2 4.08Å; V42-L220 HydrophobicContact CG1-CG 4.29Å; V42-L220 HydrophobicContact CG2-CD2 4.28Å | ||
| 43 | F | 94.1 | Very high | 94.5 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 27% | 0.272 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -130.7 | 139.2 | 164.6 | -61.8 | -78.6 | 0 | 0 | 0 | 106.9 | I34 M37 K38 G41 K101 L213 | I34-F43 HydrophobicContact CG2-CE2 4.23Å; I34-F43 HydrophobicContact CG2-CZ 4.13Å; M37-F43 HydrophobicContact CB-CE2 3.97Å; M37-F43 HydrophobicContact CE-CE2 4.38Å; M37-F43 HydrophobicContact CE-CZ 3.98Å; K38-F43 HydrophobicContact CG-CD2 4.27Å; K38-F43 HydrophobicContact CG-CE2 4.37Å; G41-F43 PolarHBondContact O-N 3.42Å; F43-K101 WeakPolarHBondContact O-CE 3.26Å; F43-K101 WeakPolarHBondContact O-CG 3.32Å; F43-L213 HydrophobicContact CE1-CD1 4.24Å; F43-L213 HydrophobicContact CZ-CD1 3.98Å |
| 44 | E | 90.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 70.2 Ų | 70.2 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | trans | -101.6 | 146.1 | 178 | -178.5 | 169.6 | -84.6 | 0 | 0 | 108.7 | E48 R52 H99 K101 | E44-E48 HydrophobicContact CG-CB 3.44Å; E44-E48 VanDerWaalsContact CG-CB 3.44Å; E44-E48 HydrophobicContact CG-CG 4.32Å; E44-R52 IonicContact OE1-CZ 2.67Å; E44-R52 IonicContact OE1-NE 2.69Å; E44-R52 PolarHBondContact OE1-NE 3.49Å; E44-R52 IonicContact OE1-NH2 2.87Å; E44-R52 PolarHBondContact OE1-NH2 2.95Å; E44-R52 WeakPolarHBondContact OE2-CD 3.35Å; E44-R52 IonicContact OE2-NE 3.84Å; E44-R52 PolarHBondContact OE2-NE 2.98Å; E44-H99 IonicContact OE1-CD2 2.77Å; E44-H99 PolarHBondContact OE1-CD2 3Å; E44-H99 VanDerWaalsContact OE1-CD2 3.31Å; E44-H99 IonicContact OE1-NE2 3.25Å; E44-H99 PolarHBondContact OE1-NE2 3.41Å; E44-H99 IonicContact OE2-CD2 2.89Å; E44-H99 PolarHBondContact OE2-CD2 2.93Å; E44-H99 IonicContact OE2-CE1 2.65Å; E44-H99 IonicContact OE2-NE2 3.12Å; E44-H99 PolarHBondContact OE2-NE2 2.9Å; E44-K101 HydrophobicContact CB-CG 4.47Å | ||
| 45 | D | 90.1 | Very high | 94.4 | Very high | 91 Ų | 91 | 68.4 Ų | 68.4 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | trans | -81 | 159.6 | -176.7 | -59.8 | -9.6 | 0 | 0 | 0 | 111.1 | E47 E48 L49 K101 | D45-E47 PolarHBondContact O-N 3.21Å; D45-E48 PolarHBondContact N-OE2 3.04Å; D45-E48 PolarHBondContact O-N 2.89Å; D45-L49 PolarHBondContact O-N 2.59Å; D45-K101 WeakPolarHBondContact OD1-CE 3.49Å; D45-K101 IonicContact OD1-NZ 3.43Å; D45-K101 PolarHBondContact OD1-NZ 3.36Å; D45-K101 IonicContact OD2-NZ 2.71Å; D45-K101 PolarHBondContact OD2-NZ 3.43Å | ||
| 46 | E | 91.3 | Very high | 94.4 | Very high | 158 Ų | 158 | 66.3 Ų | 66.3 | 74% | 0.738 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.2 | -30.9 | -178.5 | -62.4 | -170.3 | 164.2 | 0 | 0 | 112.6 | N50 | E46-N50 VanDerWaalsContact O-CB 3.29Å; E46-N50 WeakPolarHBondContact O-CB 3.27Å; E46-N50 PolarHBondContact O-N 3.31Å; E46-N50 PolarHBondContact O-ND2 2.93Å |
| 47 | E | 92.6 | Very high | 94.3 | Very high | 168 Ų | 168 | 66.7 Ų | 66.7 | 79% | 0.785 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.2 | -47 | 174.7 | -63.4 | -177.6 | -179 | 0 | 0 | 111.9 | D45 L49 N50 H51 | D45-E47 PolarHBondContact O-N 3.21Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 2.92Å; E47-N50 PolarHBondContact O-N 2.89Å; E47-H51 WeakPolarHBondContact O-CB 2.97Å; E47-H51 PolarHBondContact O-N 3.24Å |
| 48 | E | 91.3 | Very high | 94.3 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 175.2 | -67.3 | 174.1 | 117.1 | 0 | 0 | 110.9 | E44 D45 H51 R52 K101 | E44-E48 HydrophobicContact CG-CB 3.44Å; E44-E48 VanDerWaalsContact CG-CB 3.44Å; E44-E48 HydrophobicContact CG-CG 4.32Å; D45-E48 PolarHBondContact N-OE2 3.04Å; D45-E48 PolarHBondContact O-N 2.89Å; E48-H51 PolarHBondContact O-N 3.01Å; E48-R52 WeakPolarHBondContact O-CG 3.34Å; E48-R52 PolarHBondContact O-N 3.02Å; E48-K101 IonicContact OE1-NZ 2.7Å; E48-K101 VanDerWaalsContact OE2-CE 3.29Å; E48-K101 WeakPolarHBondContact OE2-CE 3.38Å; E48-K101 IonicContact OE2-NZ 3.3Å; E48-K101 PolarHBondContact OE2-NZ 3.17Å |
| 49 | L | 91.5 | Very high | 94.5 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 178.2 | -179.2 | 61.9 | 0 | 0 | 0 | 112.1 | D45 E47 H51 R52 L53 Y94 | D45-L49 PolarHBondContact O-N 2.59Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 2.92Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-R52 PolarHBondContact O-N 3.45Å; L49-L53 WeakPolarHBondContact O-CG 3.28Å; L49-L53 PolarHBondContact O-N 3.02Å; L49-L53 VanDerWaalsContact O-N 3.13Å; L49-Y94 HydrophobicContact CD1-CE2 4.24Å |
| 50 | N | 94.9 | Very high | 94.5 | Very high | 96 Ų | 96 | 61.5 Ų | 61.5 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 176.1 | -77.6 | -41.5 | 0 | 0 | 0 | 111.5 | E46 E47 L53 V54 | E46-N50 VanDerWaalsContact O-CB 3.29Å; E46-N50 WeakPolarHBondContact O-CB 3.27Å; E46-N50 PolarHBondContact O-N 3.31Å; E46-N50 PolarHBondContact O-ND2 2.93Å; E47-N50 PolarHBondContact O-N 2.89Å; N50-L53 WeakPolarHBondContact O-CB 3.48Å; N50-L53 PolarHBondContact O-N 3.36Å; N50-V54 PolarHBondContact O-N 3.49Å |
| 51 | H | 95.6 | Very high | 94.6 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 175 | -179.6 | -139.3 | 0 | 0 | 0 | 111.8 | E47 E48 L49 L53 V54 V55 D153 | E47-H51 WeakPolarHBondContact O-CB 2.97Å; E47-H51 PolarHBondContact O-N 3.24Å; E48-H51 PolarHBondContact O-N 3.01Å; L49-H51 VanDerWaalsContact C-N 3.34Å; H51-L53 VanDerWaalsContact C-N 3.3Å; H51-L53 PolarHBondContact O-N 2.99Å; H51-V54 PolarHBondContact O-N 3.47Å; H51-V54 VanDerWaalsContact O-N 3.16Å; H51-V55 PolarHBondContact O-N 3.27Å; H51-D153 PolarHBondContact CE1-O 3.26Å; H51-D153 VanDerWaalsContact CE1-O 3.26Å |
| 52 | R | 95.8 | Very high | 94.8 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -37.9 | 174.1 | -68.1 | 179.8 | -173.3 | -86.9 | 10.4 | 113.1 | E44 E48 L49 V55 L56 Y94 A103 I105 I155 | E44-R52 IonicContact OE1-CZ 2.67Å; E44-R52 IonicContact OE1-NE 2.69Å; E44-R52 PolarHBondContact OE1-NE 3.49Å; E44-R52 IonicContact OE1-NH2 2.87Å; E44-R52 PolarHBondContact OE1-NH2 2.95Å; E44-R52 WeakPolarHBondContact OE2-CD 3.35Å; E44-R52 IonicContact OE2-NE 3.84Å; E44-R52 PolarHBondContact OE2-NE 2.98Å; E48-R52 WeakPolarHBondContact O-CG 3.34Å; E48-R52 PolarHBondContact O-N 3.02Å; L49-R52 PolarHBondContact O-N 3.45Å; R52-V55 PolarHBondContact O-N 3.19Å; R52-L56 WeakPolarHBondContact O-CB 3.45Å; R52-L56 WeakPolarHBondContact O-CG 3.21Å; R52-L56 PolarHBondContact O-N 2.81Å; R52-Y94 HydrophobicContact CB-CE2 4.11Å; R52-Y94 VanDerWaalsContact CD-CE2 3.45Å; R52-Y94 HydrophobicContact CG-CE2 4.45Å; R52-A103 VanDerWaalsContact CZ-O 3.29Å; R52-A103 PolarHBondContact NH1-O 3.31Å; R52-A103 PolarHBondContact NH2-O 3.15Å; R52-I105 HydrophobicContact CB-CD1 4.01Å; R52-I105 HydrophobicContact CG-CD1 3.98Å; R52-I155 HydrophobicContact CB-CD1 4.33Å; R52-I155 HydrophobicContact CG-CD1 3.69Å; R52-I155 HydrophobicContact CG-CG1 4.38Å |
| 53 | L | 95.5 | Very high | 95 | Very high | 94 Ų | 94 | 61 Ų | 61 | 49% | 0.492 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.6 | -70.9 | 171.1 | 0 | 0 | 0 | 112 | L49 N50 H51 G57 | L49-L53 WeakPolarHBondContact O-CG 3.28Å; L49-L53 PolarHBondContact O-N 3.02Å; L49-L53 VanDerWaalsContact O-N 3.13Å; N50-L53 WeakPolarHBondContact O-CB 3.48Å; N50-L53 PolarHBondContact O-N 3.36Å; H51-L53 VanDerWaalsContact C-N 3.3Å; H51-L53 PolarHBondContact O-N 2.99Å; L53-G57 PolarHBondContact O-N 3.16Å |
| 54 | V | 96.9 | Very high | 95.1 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | N50 H51 L56 G57 K58 | N50-V54 PolarHBondContact O-N 3.49Å; H51-V54 PolarHBondContact O-N 3.47Å; H51-V54 VanDerWaalsContact O-N 3.16Å; V54-L56 PolarHBondContact O-N 3.18Å; V54-G57 WeakPolarHBondContact O-CA 3.43Å; V54-G57 PolarHBondContact O-N 3.22Å; V54-G57 VanDerWaalsContact O-N 3.11Å; V54-K58 PolarHBondContact O-N 3.33Å |
| 55 | V | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 179.2 | 174 | 0 | 0 | 0 | 0 | 111.8 | H51 R52 G57 K58 L59 F152 D153 I155 I157 | H51-V55 PolarHBondContact O-N 3.27Å; R52-V55 PolarHBondContact O-N 3.19Å; V55-G57 VanDerWaalsContact C-N 3.31Å; V55-G57 PolarHBondContact O-N 3.01Å; V55-K58 PolarHBondContact O-N 3.12Å; V55-L59 WeakPolarHBondContact O-CB 3.39Å; V55-L59 PolarHBondContact O-N 2.96Å; V55-F152 HydrophobicContact CG1-CB 3.84Å; V55-F152 HydrophobicContact CG1-CD1 3.67Å; V55-F152 HydrophobicContact CG1-CE1 4.41Å; V55-F152 HydrophobicContact CG1-CG 3.78Å; V55-D153 HydrophobicContact CG2-CB 3.92Å; V55-I155 HydrophobicContact CB-CD1 4.28Å; V55-I155 HydrophobicContact CG2-CD1 3.97Å; V55-I157 HydrophobicContact CG1-CD1 3.84Å |
| 56 | L | 97 | Very high | 95.8 | Very high | 25 Ų | 25 | 59.5 Ų | 59.5 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 172.5 | -79.5 | 168.1 | 0 | 0 | 0 | 112.8 | R52 V54 N60 T90 Y94 I105 | R52-L56 WeakPolarHBondContact O-CB 3.45Å; R52-L56 WeakPolarHBondContact O-CG 3.21Å; R52-L56 PolarHBondContact O-N 2.81Å; V54-L56 PolarHBondContact O-N 3.18Å; L56-N60 VanDerWaalsContact O-CB 3.25Å; L56-N60 WeakPolarHBondContact O-CB 3.48Å; L56-N60 PolarHBondContact O-N 2.89Å; L56-T90 HydrophobicContact CD1-CG2 3.8Å; L56-T90 HydrophobicContact CD2-CG2 3.73Å; L56-T90 HydrophobicContact CG-CG2 4.45Å; L56-Y94 HydrophobicContact CD1-CD1 4.39Å; L56-Y94 HydrophobicContact CD1-CE1 3.48Å; L56-Y94 VanDerWaalsContact CD1-CE1 3.48Å; L56-I105 HydrophobicContact CD1-CD1 4.29Å; L56-I105 HydrophobicContact CD1-CG2 4.49Å; L56-I105 HydrophobicContact CD2-CG2 4.21Å; L56-I105 HydrophobicContact CG-CD1 4.38Å |
| 57 | G | 97.1 | Very high | 96.1 | Very high | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -50.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L53 V54 V55 L59 N60 N61 | L53-G57 PolarHBondContact O-N 3.16Å; V54-G57 WeakPolarHBondContact O-CA 3.43Å; V54-G57 PolarHBondContact O-N 3.22Å; V54-G57 VanDerWaalsContact O-N 3.11Å; V55-G57 VanDerWaalsContact C-N 3.31Å; V55-G57 PolarHBondContact O-N 3.01Å; G57-L59 PolarHBondContact O-N 3.42Å; G57-N60 PolarHBondContact O-N 3.38Å; G57-N61 PolarHBondContact O-N 3.31Å; G57-N61 VanDerWaalsContact O-N 3.16Å |
| 58 | K | 97.3 | Very high | 96.3 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.4 | -52.9 | 174.3 | -67.8 | -179.8 | 179.1 | -178 | 0 | 111.2 | V54 V55 N60 N61 L62 F152 D153 | V54-K58 PolarHBondContact O-N 3.33Å; V55-K58 PolarHBondContact O-N 3.12Å; K58-N60 VanDerWaalsContact C-N 3.34Å; K58-N60 PolarHBondContact O-N 3Å; K58-N61 PolarHBondContact O-N 3Å; K58-N61 VanDerWaalsContact O-N 3.17Å; K58-L62 WeakPolarHBondContact O-CG 3.16Å; K58-L62 PolarHBondContact O-N 3.34Å; K58-L62 VanDerWaalsContact O-N 3.08Å; K58-F152 HydrophobicContact CB-CE1 3.88Å; K58-F152 HydrophobicContact CB-CZ 3.78Å; K58-F152 HydrophobicContact CD-CE1 4.47Å; K58-F152 HydrophobicContact CD-CE2 4.09Å; K58-F152 HydrophobicContact CD-CZ 3.76Å; K58-F152 HydrophobicContact CG-CZ 4.44Å; K58-D153 IonicContact NZ-OD1 3.81Å; K58-D153 IonicContact NZ-OD2 3.41Å; K58-D153 PolarHBondContact NZ-OD2 3.25Å |
| 59 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -37 | -175.4 | -168.4 | 67.6 | 0 | 0 | 0 | 112.6 | V55 G57 N61 L62 V63 I88 L128 F150 F152 I157 | V55-L59 WeakPolarHBondContact O-CB 3.39Å; V55-L59 PolarHBondContact O-N 2.96Å; G57-L59 PolarHBondContact O-N 3.42Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 2.63Å; L59-L62 PolarHBondContact O-N 3.39Å; L59-V63 PolarHBondContact O-N 2.8Å; L59-I88 HydrophobicContact CB-CD1 3.93Å; L59-I88 HydrophobicContact CD2-CD1 3.71Å; L59-I88 HydrophobicContact CG-CD1 3.48Å; L59-I88 VanDerWaalsContact CG-CD1 3.48Å; L59-I88 WeakPolarHBondContact O-CD1 3.43Å; L59-L128 HydrophobicContact CD1-CD2 3.82Å; L59-F150 HydrophobicContact CD1-CE2 4.01Å; L59-F150 HydrophobicContact CD1-CZ 3.62Å; L59-F150 HydrophobicContact CD2-CZ 3.79Å; L59-F150 HydrophobicContact CG-CZ 4.37Å; L59-F152 HydrophobicContact CB-CD1 4.33Å; L59-F152 HydrophobicContact CB-CE1 4.12Å; L59-F152 HydrophobicContact CD1-CD1 4.24Å; L59-F152 HydrophobicContact CD1-CE1 4.21Å; L59-I157 HydrophobicContact CD2-CD1 4.1Å; L59-I157 HydrophobicContact CD2-CG2 4.12Å |
| 60 | N | 97.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -33.7 | 176.4 | -178.4 | 87.1 | 0 | 0 | 0 | 112.3 | L56 G57 K58 K64 I88 | L56-N60 VanDerWaalsContact O-CB 3.25Å; L56-N60 WeakPolarHBondContact O-CB 3.48Å; L56-N60 PolarHBondContact O-N 2.89Å; G57-N60 PolarHBondContact O-N 3.38Å; K58-N60 VanDerWaalsContact C-N 3.34Å; K58-N60 PolarHBondContact O-N 3Å; N60-K64 PolarHBondContact O-N 3.35Å; N60-K64 VanDerWaalsContact O-N 3.11Å; N60-I88 HydrophobicContact CB-CB 4.41Å; N60-I88 HydrophobicContact CB-CD1 4.28Å; N60-I88 HydrophobicContact CB-CG1 4.32Å; N60-I88 PolarHBondContact OD1-N 3.26Å |
| 61 | N | 96.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 38.7 Ų | 38.7 | 48% | 0.476 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.4 | -45.6 | 173.7 | -67.6 | -6.7 | 0 | 0 | 0 | 111.1 | G57 K58 L59 V63 K64 E65 | G57-N61 PolarHBondContact O-N 3.31Å; G57-N61 VanDerWaalsContact O-N 3.16Å; K58-N61 PolarHBondContact O-N 3Å; K58-N61 VanDerWaalsContact O-N 3.17Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 2.63Å; N61-V63 PolarHBondContact O-N 3.46Å; N61-K64 PolarHBondContact O-N 2.97Å; N61-E65 WeakPolarHBondContact O-CG 3.49Å; N61-E65 PolarHBondContact O-N 2.95Å |
| 62 | L | 97.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57 | -37.1 | 175.4 | -67.9 | 169.2 | 0 | 0 | 0 | 112.8 | K58 L59 W66 F124 Q131 F152 | K58-L62 WeakPolarHBondContact O-CG 3.16Å; K58-L62 PolarHBondContact O-N 3.34Å; K58-L62 VanDerWaalsContact O-N 3.08Å; L59-L62 PolarHBondContact O-N 3.39Å; L62-W66 WeakPolarHBondContact O-CB 3.31Å; L62-W66 PolarHBondContact O-N 3.41Å; L62-F124 HydrophobicContact CB-CE2 4.36Å; L62-Q131 HydrophobicContact CD1-CG 3.75Å; L62-F152 HydrophobicContact CD1-CE1 4.18Å; L62-F152 HydrophobicContact CD1-CZ 4.24Å |
| 63 | V | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 172.9 | 164 | 0 | 0 | 0 | 0 | 112.1 | L59 N61 I67 I88 F124 | L59-V63 PolarHBondContact O-N 2.8Å; N61-V63 PolarHBondContact O-N 3.46Å; V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 WeakPolarHBondContact O-CB 3.43Å; V63-I67 WeakPolarHBondContact O-CD1 3.37Å; V63-I67 VanDerWaalsContact O-CG1 3.27Å; V63-I67 WeakPolarHBondContact O-CG1 3.46Å; V63-I67 PolarHBondContact O-N 3.46Å; V63-I88 HydrophobicContact CB-CD1 4.39Å; V63-I88 HydrophobicContact CB-CG1 4.25Å; V63-I88 HydrophobicContact CG1-CG1 4.47Å; V63-I88 HydrophobicContact CG2-CD1 3.77Å; V63-I88 HydrophobicContact CG2-CG1 3.92Å; V63-F124 HydrophobicContact CG2-CE1 4.11Å; V63-F124 HydrophobicContact CG2-CE2 3.97Å; V63-F124 HydrophobicContact CG2-CZ 3.47Å; V63-F124 VanDerWaalsContact CG2-CZ 3.47Å |
| 64 | K | 96.8 | Very high | 96.7 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 177.1 | -78.2 | -175.1 | 173.5 | -173.8 | 0 | 112 | N60 N61 I67 S68 G86 D171 | N60-K64 PolarHBondContact O-N 3.35Å; N60-K64 VanDerWaalsContact O-N 3.11Å; N61-K64 PolarHBondContact O-N 2.97Å; K64-I67 PolarHBondContact O-N 3.48Å; K64-S68 PolarHBondContact O-N 2.8Å; K64-S68 VanDerWaalsContact O-N 3.08Å; K64-G86 WeakPolarHBondContact CE-O 3.41Å; K64-G86 VanDerWaalsContact CG-O 3.25Å; K64-G86 WeakPolarHBondContact CG-O 3.45Å; K64-D171 WeakPolarHBondContact CE-OD1 3.5Å; K64-D171 IonicContact NZ-OD1 2.64Å; K64-D171 PolarHBondContact NZ-OD1 2.81Å; K64-D171 IonicContact NZ-OD2 2.68Å; K64-D171 PolarHBondContact NZ-OD2 2.8Å |
| 65 | E | 96.5 | Very high | 96.6 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58 | -53.2 | 173.6 | -70 | 166.7 | -152.3 | 0 | 0 | 111.2 | N61 I67 S68 D69 K127 | N61-E65 WeakPolarHBondContact O-CG 3.49Å; N61-E65 PolarHBondContact O-N 2.95Å; E65-I67 VanDerWaalsContact C-N 3.28Å; E65-I67 PolarHBondContact O-N 3.11Å; E65-S68 CarbonylContact O-C 3.53Å; E65-S68 VanDerWaalsContact O-CA 3.3Å; E65-S68 WeakPolarHBondContact O-CA 3.41Å; E65-S68 WeakPolarHBondContact O-CB 3.3Å; E65-S68 PolarHBondContact O-N 3.35Å; E65-D69 PolarHBondContact O-N 2.83Å; E65-K127 WeakPolarHBondContact OE2-CE 3.26Å; E65-K127 IonicContact OE2-NZ 3.41Å; E65-K127 PolarHBondContact OE2-NZ 2.75Å |
| 66 | W | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.3 | -39.1 | 179.6 | 168.3 | 64.4 | 0 | 0 | 0 | 113.4 | L62 S68 D69 I70 V115 D119 F120 S123 F124 K127 F161 | L62-W66 WeakPolarHBondContact O-CB 3.31Å; L62-W66 PolarHBondContact O-N 3.41Å; W66-S68 VanDerWaalsContact C-N 3.29Å; W66-S68 PolarHBondContact O-N 3.41Å; W66-D69 WeakPolarHBondContact CA-OD2 3.49Å; W66-D69 PolarHBondContact O-N 2.86Å; W66-I70 HydrophobicContact CZ2-CG1 4.49Å; W66-I70 WeakPolarHBondContact O-CB 3.47Å; W66-I70 WeakPolarHBondContact O-CG1 3.1Å; W66-I70 PolarHBondContact O-N 3.42Å; W66-V115 HydrophobicContact CH2-CG1 3.26Å; W66-V115 HydrophobicContact CZ2-CG1 3.61Å; W66-V115 HydrophobicContact CZ3-CG1 3.93Å; W66-D119 HydrophobicContact CZ2-CB 3.72Å; W66-F120 HydrophobicContact CH2-CB 3.93Å; W66-F120 HydrophobicContact CH2-CD2 4.17Å; W66-F120 HydrophobicContact CZ2-CB 4.29Å; W66-F120 HydrophobicContact CZ3-CD2 4.38Å; W66-S123 PolarHBondContact NE1-OG 3.02Å; W66-F124 HydrophobicContact CB-CD2 3.63Å; W66-F124 HydrophobicContact CB-CE2 4Å; W66-F124 HydrophobicContact CD2-CB 3.76Å; W66-F124 AromaticContact CD2-CD2 3.54Å; W66-F124 HydrophobicContact CD2-CD2 3.54Å; W66-F124 HydrophobicContact CD2-CE2 4.42Å; W66-F124 AromaticContact CD2-CG 3.88Å; W66-F124 HydrophobicContact CD2-CG 3.88Å; W66-F124 HydrophobicContact CE3-CB 4.24Å; W66-F124 AromaticContact CE3-CD2 3.8Å; W66-F124 HydrophobicContact CE3-CD2 3.8Å; W66-F124 HydrophobicContact CE3-CE2 4.39Å; W66-F124 HydrophobicContact CE3-CG 4.04Å; W66-F124 HydrophobicContact CG-CB 4.12Å; W66-F124 AromaticContact CG-CD2 3.43Å; W66-F124 HydrophobicContact CG-CD2 3.43Å; W66-F124 VanDerWaalsContact CG-CD2 3.43Å; W66-F124 HydrophobicContact CG-CE2 4.26Å; W66-F124 HydrophobicContact CG-CG 4.16Å; W66-F124 HydrophobicContact CH2-CB 4.38Å; W66-F124 HydrophobicContact CZ2-CB 3.92Å; W66-K127 HydrophobicContact CB-CD 3.85Å; W66-F161 HydrophobicContact CH2-CD2 4.49Å; W66-F161 AromaticContact CH2-CE2 3.85Å; W66-F161 HydrophobicContact CH2-CE2 3.85Å; W66-F161 HydrophobicContact CZ3-CE2 4.21Å |
| 67 | I | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.9 | -28.9 | 175.9 | -67.6 | 167 | 0 | 0 | 0 | 111 | V63 K64 E65 S71 V84 G85 A111 P112 V115 | V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 WeakPolarHBondContact O-CB 3.43Å; V63-I67 WeakPolarHBondContact O-CD1 3.37Å; V63-I67 VanDerWaalsContact O-CG1 3.27Å; V63-I67 WeakPolarHBondContact O-CG1 3.46Å; V63-I67 PolarHBondContact O-N 3.46Å; K64-I67 PolarHBondContact O-N 3.48Å; E65-I67 VanDerWaalsContact C-N 3.28Å; E65-I67 PolarHBondContact O-N 3.11Å; I67-S71 VanDerWaalsContact O-CB 3.3Å; I67-S71 WeakPolarHBondContact O-CB 3.44Å; I67-S71 PolarHBondContact O-N 3.26Å; I67-S71 PolarHBondContact O-OG 3.47Å; I67-V84 HydrophobicContact CG2-CG1 3.86Å; I67-V84 HydrophobicContact CG2-CG2 3.89Å; I67-G85 VanDerWaalsContact CG2-O 3.27Å; I67-G85 WeakPolarHBondContact CG2-O 3.41Å; I67-A111 HydrophobicContact CD1-CB 3.88Å; I67-A111 HydrophobicContact CG1-CB 4.47Å; I67-P112 HydrophobicContact CG2-CG 3.79Å; I67-V115 HydrophobicContact CG1-CG2 4.33Å; I67-V115 HydrophobicContact CG2-CG2 4.1Å |
| 68 | S | 96.6 | Very high | 96 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.4 | -53.3 | 167.3 | -155 | 0 | 0 | 0 | 0 | 111 | K64 E65 W66 I70 S71 E72 V81 | K64-S68 PolarHBondContact O-N 2.8Å; K64-S68 VanDerWaalsContact O-N 3.08Å; E65-S68 CarbonylContact O-C 3.53Å; E65-S68 VanDerWaalsContact O-CA 3.3Å; E65-S68 WeakPolarHBondContact O-CA 3.41Å; E65-S68 WeakPolarHBondContact O-CB 3.3Å; E65-S68 PolarHBondContact O-N 3.35Å; W66-S68 VanDerWaalsContact C-N 3.29Å; W66-S68 PolarHBondContact O-N 3.41Å; S68-I70 VanDerWaalsContact C-N 3.25Å; S68-I70 PolarHBondContact O-N 3.17Å; S68-S71 WeakPolarHBondContact O-CA 3.4Å; S68-S71 WeakPolarHBondContact O-CB 3.43Å; S68-S71 PolarHBondContact O-N 3.06Å; S68-E72 PolarHBondContact O-N 3.09Å; S68-E72 PolarHBondContact OG-OE1 3.29Å; S68-V81 WeakPolarHBondContact OG-CG1 3.35Å |
| 69 | D | 95.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -51.9 | -43.2 | 178.9 | -53.9 | -29.8 | 0 | 0 | 0 | 111.5 | E65 W66 S73 K127 | E65-D69 PolarHBondContact O-N 2.83Å; W66-D69 WeakPolarHBondContact CA-OD2 3.49Å; W66-D69 PolarHBondContact O-N 2.86Å; D69-S73 WeakPolarHBondContact O-CB 3.48Å; D69-S73 PolarHBondContact O-N 3.37Å; D69-S73 VanDerWaalsContact O-N 3.11Å; D69-S73 PolarHBondContact O-OG 3.24Å; D69-K127 IonicContact OD2-NZ 3.84Å; D69-K127 PolarHBondContact OD2-NZ 2.87Å |
| 70 | I | 96.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 8% | 0.077 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.7 | -26.8 | 177.6 | -65.9 | -67 | 0 | 0 | 0 | 113 | W66 S68 S73 K74 V115 D119 S123 | W66-I70 HydrophobicContact CZ2-CG1 4.49Å; W66-I70 WeakPolarHBondContact O-CB 3.47Å; W66-I70 WeakPolarHBondContact O-CG1 3.1Å; W66-I70 PolarHBondContact O-N 3.42Å; S68-I70 VanDerWaalsContact C-N 3.25Å; S68-I70 PolarHBondContact O-N 3.17Å; I70-S73 WeakPolarHBondContact CA-OG 3.38Å; I70-S73 PolarHBondContact O-OG 2.9Å; I70-K74 HydrophobicContact CG2-CD 3.91Å; I70-K74 VanDerWaalsContact O-CB 3.28Å; I70-K74 WeakPolarHBondContact O-CB 3.31Å; I70-K74 VanDerWaalsContact O-CG 3.31Å; I70-K74 WeakPolarHBondContact O-CG 3.42Å; I70-K74 PolarHBondContact O-N 3.47Å; I70-V115 HydrophobicContact CB-CG2 4.43Å; I70-V115 HydrophobicContact CG2-CB 4.48Å; I70-V115 HydrophobicContact CG2-CG1 4.49Å; I70-V115 HydrophobicContact CG2-CG2 3.86Å; I70-D119 HydrophobicContact CD1-CB 4.28Å; I70-D119 WeakPolarHBondContact CG2-OD2 3.41Å; I70-S123 WeakPolarHBondContact CD1-OG 3.39Å |
| 71 | S | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.3 | -40.1 | 174.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | I67 S68 K74 N75 L76 H114 | I67-S71 VanDerWaalsContact O-CB 3.3Å; I67-S71 WeakPolarHBondContact O-CB 3.44Å; I67-S71 PolarHBondContact O-N 3.26Å; I67-S71 PolarHBondContact O-OG 3.47Å; S68-S71 WeakPolarHBondContact O-CA 3.4Å; S68-S71 WeakPolarHBondContact O-CB 3.43Å; S68-S71 PolarHBondContact O-N 3.06Å; S71-K74 CarbonylContact O-C 3.58Å; S71-K74 PolarHBondContact O-N 3.39Å; S71-N75 PolarHBondContact O-N 3.48Å; S71-L76 WeakPolarHBondContact O-CB 3.41Å; S71-L76 PolarHBondContact O-N 2.98Å; S71-H114 PolarHBondContact OG-NE2 2.84Å |
| 72 | E | 95.3 | Very high | 94.7 | Very high | 114 Ų | 114 | 54.6 Ų | 54.6 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.5 | -48.8 | 176.8 | -69.4 | 176.2 | -145.6 | 0 | 0 | 111.6 | S68 K74 N75 V81 | S68-E72 PolarHBondContact O-N 3.09Å; S68-E72 PolarHBondContact OG-OE1 3.29Å; E72-K74 PolarHBondContact O-N 3Å; E72-N75 WeakPolarHBondContact O-CA 3.29Å; E72-N75 PolarHBondContact O-N 3.48Å; E72-V81 HydrophobicContact CG-CB 4.43Å; E72-V81 HydrophobicContact CG-CG1 3.68Å; E72-V81 HydrophobicContact CG-CG2 3.92Å; E72-V81 WeakPolarHBondContact OE1-CG1 3.42Å |
| 73 | S | 94.9 | Very high | 94.4 | Very high | 75 Ų | 75 | 58.3 Ų | 58.3 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -26 | 176.5 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | D69 I70 N75 | D69-S73 WeakPolarHBondContact O-CB 3.48Å; D69-S73 PolarHBondContact O-N 3.37Å; D69-S73 VanDerWaalsContact O-N 3.11Å; D69-S73 PolarHBondContact O-OG 3.24Å; I70-S73 WeakPolarHBondContact CA-OG 3.38Å; I70-S73 PolarHBondContact O-OG 2.9Å; S73-N75 VanDerWaalsContact C-N 3.26Å; S73-N75 PolarHBondContact O-N 3.02Å; S73-N75 PolarHBondContact O-ND2 3.04Å |
| 74 | K | 94.8 | Very high | 94.2 | Very high | 77 Ų | 77 | 58.5 Ų | 58.5 | 34% | 0.335 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 11.9 | 170.6 | -69.1 | 176.1 | 174.1 | 174.5 | 0 | 113.6 | I70 S71 E72 L76 H114 D119 | I70-K74 HydrophobicContact CG2-CD 3.91Å; I70-K74 VanDerWaalsContact O-CB 3.28Å; I70-K74 WeakPolarHBondContact O-CB 3.31Å; I70-K74 VanDerWaalsContact O-CG 3.31Å; I70-K74 WeakPolarHBondContact O-CG 3.42Å; I70-K74 PolarHBondContact O-N 3.47Å; S71-K74 CarbonylContact O-C 3.58Å; S71-K74 PolarHBondContact O-N 3.39Å; E72-K74 PolarHBondContact O-N 3Å; K74-L76 VanDerWaalsContact C-N 3.33Å; K74-L76 HydrophobicContact CB-CD1 3.85Å; K74-L76 PolarHBondContact O-N 2.93Å; K74-H114 PolarHBondContact NZ-O 2.95Å; K74-D119 VanDerWaalsContact NZ-CG 3.33Å; K74-D119 IonicContact NZ-OD1 2.77Å; K74-D119 PolarHBondContact NZ-OD1 3.19Å; K74-D119 IonicContact NZ-OD2 3.14Å; K74-D119 PolarHBondContact NZ-OD2 3.2Å |
| 75 | N | 94 | Very high | 94.1 | Very high | 146 Ų | 146 | 56.9 Ų | 56.9 | 78% | 0.781 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 36.2 | 174.1 | -63.3 | -96.5 | 0 | 0 | 0 | 114.1 | S71 E72 S73 | S71-N75 PolarHBondContact O-N 3.48Å; E72-N75 WeakPolarHBondContact O-CA 3.29Å; E72-N75 PolarHBondContact O-N 3.48Å; S73-N75 VanDerWaalsContact C-N 3.26Å; S73-N75 PolarHBondContact O-N 3.02Å; S73-N75 PolarHBondContact O-ND2 3.04Å |
| 76 | L | 93.4 | Very high | 94 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | trans | -71.4 | 147 | 170.8 | -81.6 | 65.6 | 0 | 0 | 0 | 110.2 | S71 K74 V80 V81 H114 | S71-L76 WeakPolarHBondContact O-CB 3.41Å; S71-L76 PolarHBondContact O-N 2.98Å; K74-L76 VanDerWaalsContact C-N 3.33Å; K74-L76 HydrophobicContact CB-CD1 3.85Å; K74-L76 PolarHBondContact O-N 2.93Å; L76-V80 HydrophobicContact CD2-CG1 4.05Å; L76-V81 HydrophobicContact CB-CG2 4.14Å; L76-H114 WeakPolarHBondContact CD2-NE2 3.5Å | ||
| 77 | P | 94.1 | Very high | 93.9 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 47% | 0.474 | 33% | 0.331 | S | S | . | . | trans | -59.3 | 141.6 | 177.6 | -23.7 | 33.5 | 0 | 0 | 0 | 111.9 | S79 V80 V81 | P77-S79 PolarHBondContact O-N 2.81Å; P77-V80 HydrophobicContact CB-CG2 4.24Å; P77-V80 HydrophobicContact CG-CG2 4.27Å; P77-V80 WeakPolarHBondContact O-CA 3.4Å; P77-V80 WeakPolarHBondContact O-CB 3.22Å; P77-V80 PolarHBondContact O-N 3.15Å; P77-V81 PolarHBondContact O-N 3.31Å | ||
| 78 | P | 91.9 | Very high | 93.9 | Very high | 111 Ų | 111 | 55.4 Ų | 55.4 | 72% | 0.721 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -55.4 | -29.3 | -177.8 | -30.2 | 36.3 | 0 | 0 | 0 | 115.2 | V80 V81 A82 | P78-V80 VanDerWaalsContact C-N 3.32Å; P78-V80 PolarHBondContact O-N 2.69Å; P78-V81 PolarHBondContact O-N 3.14Å; P78-A82 WeakPolarHBondContact O-CB 3.5Å; P78-A82 PolarHBondContact O-N 3.4Å |
| 79 | S | 90.9 | Very high | 93.9 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.5 | -29.3 | 173.5 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | P77 T83 | P77-S79 PolarHBondContact O-N 2.81Å; S79-T83 PolarHBondContact O-OG1 2.8Å |
| 80 | V | 89.8 | Confident | 94 | Very high | 40 Ų | 40 | 52.4 Ų | 52.4 | 24% | 0.242 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -81 | -40.8 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 110 | L76 P77 P78 A82 T83 V84 | L76-V80 HydrophobicContact CD2-CG1 4.05Å; P77-V80 HydrophobicContact CB-CG2 4.24Å; P77-V80 HydrophobicContact CG-CG2 4.27Å; P77-V80 WeakPolarHBondContact O-CA 3.4Å; P77-V80 WeakPolarHBondContact O-CB 3.22Å; P77-V80 PolarHBondContact O-N 3.15Å; P78-V80 VanDerWaalsContact C-N 3.32Å; P78-V80 PolarHBondContact O-N 2.69Å; V80-A82 PolarHBondContact O-N 3.48Å; V80-T83 CarbonylContact O-C 3.55Å; V80-T83 PolarHBondContact O-N 2.84Å; V80-T83 VanDerWaalsContact O-N 3.09Å; V80-T83 PolarHBondContact O-OG1 2.92Å; V80-V84 WeakPolarHBondContact O-CA 3.43Å; V80-V84 WeakPolarHBondContact O-CB 3.42Å; V80-V84 PolarHBondContact O-N 2.89Å |
| 81 | V | 91.6 | Very high | 94 | Very high | 12 Ų | 12 | 53 Ų | 53 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.1 | -52.1 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | S68 E72 L76 P77 P78 T83 V84 | S68-V81 WeakPolarHBondContact OG-CG1 3.35Å; E72-V81 HydrophobicContact CG-CB 4.43Å; E72-V81 HydrophobicContact CG-CG1 3.68Å; E72-V81 HydrophobicContact CG-CG2 3.92Å; E72-V81 WeakPolarHBondContact OE1-CG1 3.42Å; L76-V81 HydrophobicContact CB-CG2 4.14Å; P77-V81 PolarHBondContact O-N 3.31Å; P78-V81 PolarHBondContact O-N 3.14Å; V81-T83 PolarHBondContact O-N 3.44Å; V81-V84 VanDerWaalsContact O-CG1 3.22Å; V81-V84 WeakPolarHBondContact O-CG1 3.44Å; V81-V84 PolarHBondContact O-N 2.86Å; V81-V84 VanDerWaalsContact O-N 3.17Å |
| 82 | A | 89.4 | Confident | 94 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 74% | 0.736 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P78 V80 | P78-A82 WeakPolarHBondContact O-CB 3.5Å; P78-A82 PolarHBondContact O-N 3.4Å; V80-A82 PolarHBondContact O-N 3.48Å |
| 83 | T | 91.5 | Very high | 94 | Very high | 91 Ų | 91 | 49 Ų | 49 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | 6.9 | -180 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | S79 V80 V81 G85 T168 | S79-T83 PolarHBondContact O-OG1 2.8Å; V80-T83 CarbonylContact O-C 3.55Å; V80-T83 PolarHBondContact O-N 2.84Å; V80-T83 VanDerWaalsContact O-N 3.09Å; V80-T83 PolarHBondContact O-OG1 2.92Å; V81-T83 PolarHBondContact O-N 3.44Å; T83-G85 VanDerWaalsContact C-N 3.34Å; T83-G85 PolarHBondContact O-N 3.49Å; T83-T168 WeakPolarHBondContact O-CB 3.35Å; T83-T168 VanDerWaalsContact O-CG2 3.31Å; T83-T168 WeakPolarHBondContact O-CG2 3.31Å |
| 84 | V | 93.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | trans | -66.4 | -37.6 | -174.7 | 73.6 | 0 | 0 | 0 | 0 | 112.2 | I67 V80 V81 P112 T168 I169 | I67-V84 HydrophobicContact CG2-CG1 3.86Å; I67-V84 HydrophobicContact CG2-CG2 3.89Å; V80-V84 WeakPolarHBondContact O-CA 3.43Å; V80-V84 WeakPolarHBondContact O-CB 3.42Å; V80-V84 PolarHBondContact O-N 2.89Å; V81-V84 VanDerWaalsContact O-CG1 3.22Å; V81-V84 WeakPolarHBondContact O-CG1 3.44Å; V81-V84 PolarHBondContact O-N 2.86Å; V81-V84 VanDerWaalsContact O-N 3.17Å; V84-P112 HydrophobicContact CG2-CB 4.27Å; V84-P112 HydrophobicContact CG2-CG 3.74Å; V84-T168 CarbonylContact O-C 3.54Å; V84-T168 VanDerWaalsContact O-CA 3.31Å; V84-T168 WeakPolarHBondContact O-CA 3.41Å; V84-I169 PolarHBondContact O-N 3Å | ||
| 85 | G | 93.5 | Very high | 94.2 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | 63.9 | -151.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I67 T83 | I67-G85 VanDerWaalsContact CG2-O 3.27Å; I67-G85 WeakPolarHBondContact CG2-O 3.41Å; T83-G85 VanDerWaalsContact C-N 3.34Å; T83-G85 PolarHBondContact O-N 3.49Å |
| 86 | G | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 141.4 | 143.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | K64 | K64-G86 WeakPolarHBondContact CE-O 3.41Å; K64-G86 VanDerWaalsContact CG-O 3.25Å; K64-G86 WeakPolarHBondContact CG-O 3.45Å | ||
| 87 | K | 95.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 142.6 | -174 | -178.4 | 168.5 | 172.6 | -171.8 | 0 | 112.9 | F89 V110 I169 D171 | K87-F89 HydrophobicContact CB-CD2 4.42Å; K87-F89 HydrophobicContact CB-CE2 3.88Å; K87-F89 HydrophobicContact CD-CD2 4.33Å; K87-F89 HydrophobicContact CD-CE1 4.29Å; K87-F89 HydrophobicContact CD-CE2 3.65Å; K87-F89 HydrophobicContact CD-CZ 3.64Å; K87-F89 HydrophobicContact CG-CD2 3.96Å; K87-F89 HydrophobicContact CG-CE2 3.61Å; K87-F89 HydrophobicContact CG-CZ 4.14Å; K87-V110 PolarHBondContact N-O 3.45Å; K87-V110 PolarHBondContact O-N 3.41Å; K87-I169 HydrophobicContact CB-CG2 4.04Å; K87-D171 PolarHBondContact NZ-O 3.01Å |
| 88 | I | 96.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.2 | 166.4 | -59.2 | -175.9 | 0 | 0 | 0 | 110.4 | L59 N60 V63 A107 L108 | L59-I88 HydrophobicContact CB-CD1 3.93Å; L59-I88 HydrophobicContact CD2-CD1 3.71Å; L59-I88 HydrophobicContact CG-CD1 3.48Å; L59-I88 VanDerWaalsContact CG-CD1 3.48Å; L59-I88 WeakPolarHBondContact O-CD1 3.43Å; N60-I88 HydrophobicContact CB-CB 4.41Å; N60-I88 HydrophobicContact CB-CD1 4.28Å; N60-I88 HydrophobicContact CB-CG1 4.32Å; N60-I88 PolarHBondContact OD1-N 3.26Å; V63-I88 HydrophobicContact CB-CD1 4.39Å; V63-I88 HydrophobicContact CB-CG1 4.25Å; V63-I88 HydrophobicContact CG1-CG1 4.47Å; V63-I88 HydrophobicContact CG2-CD1 3.77Å; V63-I88 HydrophobicContact CG2-CG1 3.92Å; I88-A107 HydrophobicContact CG2-CB 4.06Å; I88-L108 VanDerWaalsContact CA-O 3.32Å; I88-L108 WeakPolarHBondContact CA-O 3.29Å |
| 89 | F | 97.5 | Very high | 94.6 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.9 | 170.3 | -67 | -105.8 | 0 | 0 | 0 | 108.7 | K87 L108 V110 L173 L175 | K87-F89 HydrophobicContact CB-CD2 4.42Å; K87-F89 HydrophobicContact CB-CE2 3.88Å; K87-F89 HydrophobicContact CD-CD2 4.33Å; K87-F89 HydrophobicContact CD-CE1 4.29Å; K87-F89 HydrophobicContact CD-CE2 3.65Å; K87-F89 HydrophobicContact CD-CZ 3.64Å; K87-F89 HydrophobicContact CG-CD2 3.96Å; K87-F89 HydrophobicContact CG-CE2 3.61Å; K87-F89 HydrophobicContact CG-CZ 4.14Å; F89-L108 HydrophobicContact CB-CB 4.44Å; F89-L108 PolarHBondContact N-O 2.85Å; F89-L108 PolarHBondContact O-N 2.98Å; F89-V110 HydrophobicContact CD2-CB 4.13Å; F89-V110 HydrophobicContact CD2-CG2 3.5Å; F89-V110 VanDerWaalsContact CD2-CG2 3.5Å; F89-V110 HydrophobicContact CE2-CB 3.96Å; F89-V110 HydrophobicContact CE2-CG1 4.45Å; F89-V110 HydrophobicContact CE2-CG2 3.69Å; F89-L173 WeakPolarHBondContact CE1-O 3.29Å; F89-L173 HydrophobicContact CZ-CB 4.2Å; F89-L173 HydrophobicContact CZ-CD2 4.27Å; F89-L173 HydrophobicContact CZ-CG 4.27Å; F89-L173 WeakPolarHBondContact CZ-O 3.4Å; F89-L175 HydrophobicContact CB-CD1 4.23Å; F89-L175 HydrophobicContact CD1-CD1 3.68Å; F89-L175 HydrophobicContact CD1-CG 4.19Å; F89-L175 HydrophobicContact CD2-CD1 3.9Å; F89-L175 HydrophobicContact CE1-CD1 3.88Å; F89-L175 HydrophobicContact CE1-CG 3.87Å; F89-L175 HydrophobicContact CE2-CD1 4.09Å; F89-L175 HydrophobicContact CE2-CD2 4.38Å; F89-L175 HydrophobicContact CE2-CG 4.36Å; F89-L175 HydrophobicContact CG-CD1 3.69Å; F89-L175 HydrophobicContact CZ-CD1 4.07Å; F89-L175 HydrophobicContact CZ-CD2 4.19Å; F89-L175 HydrophobicContact CZ-CG 3.96Å |
| 90 | T | 97.3 | Very high | 94.6 | Very high | 22 Ų | 22 | 29 Ų | 29 | 14% | 0.135 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 152.2 | 171 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | L56 Y94 R95 I105 D106 | L56-T90 HydrophobicContact CD1-CG2 3.8Å; L56-T90 HydrophobicContact CD2-CG2 3.73Å; L56-T90 HydrophobicContact CG-CG2 4.45Å; T90-Y94 HydrophobicContact CG2-CD1 3.92Å; T90-Y94 HydrophobicContact CG2-CE1 4.07Å; T90-R95 WeakPolarHBondContact O-CG 3.35Å; T90-I105 HydrophobicContact CG2-CG2 3.84Å; T90-D106 VanDerWaalsContact CA-O 3.29Å; T90-D106 WeakPolarHBondContact CA-O 3.31Å |
| 91 | F | 97 | Very high | 94.6 | Very high | 27 Ų | 27 | 30.6 Ų | 30.6 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | trans | -136.7 | -161.5 | 172.9 | 61.8 | -84.7 | 0 | 0 | 0 | 111.5 | R95 D106 L108 V160 C195 | F91-R95 VanDerWaalsContact C-CB 3.45Å; F91-R95 VanDerWaalsContact CA-CB 3.44Å; F91-R95 VanDerWaalsContact O-CB 3.23Å; F91-R95 WeakPolarHBondContact O-CB 3.49Å; F91-R95 PolarHBondContact O-N 2.84Å; F91-R95 VanDerWaalsContact O-N 3.15Å; F91-D106 HydrophobicContact CD1-CB 3.99Å; F91-D106 HydrophobicContact CD2-CB 3.65Å; F91-D106 HydrophobicContact CE1-CB 4.02Å; F91-D106 HydrophobicContact CE2-CB 3.67Å; F91-D106 WeakPolarHBondContact CE2-OD1 3.41Å; F91-D106 HydrophobicContact CG-CB 3.8Å; F91-D106 HydrophobicContact CZ-CB 3.85Å; F91-D106 PolarHBondContact N-O 3.19Å; F91-L108 HydrophobicContact CD1-CB 4.3Å; F91-L108 HydrophobicContact CE1-CB 4.23Å; F91-V160 HydrophobicContact CE1-CG2 3.67Å; F91-V160 HydrophobicContact CZ-CG2 3.84Å; F91-C195 HydrophobicContact CB-CB 4.43Å | ||
| 92 | G | 95.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | 55.9 | -140.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y94 L96 D106 T198 | G92-Y94 PolarHBondContact O-N 2.78Å; G92-L96 WeakPolarHBondContact O-CB 3.28Å; G92-L96 VanDerWaalsContact O-CG 3.25Å; G92-L96 WeakPolarHBondContact O-CG 3.16Å; G92-L96 PolarHBondContact O-N 3.43Å; G92-L96 VanDerWaalsContact O-N 3.11Å; G92-D106 VanDerWaalsContact CA-OD2 3.32Å; G92-D106 WeakPolarHBondContact CA-OD2 3.16Å; G92-T198 PolarHBondContact N-OG1 2.77Å |
| 93 | S | 95.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 30 Ų | 30 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.4 | -36.7 | -166.3 | 85.8 | 0 | 0 | 0 | 0 | 113.2 | G97 V98 H99 D106 | S93-G97 PolarHBondContact O-N 3.06Å; S93-V98 PolarHBondContact O-N 2.86Å; S93-H99 PolarHBondContact O-N 3.37Å; S93-H99 WeakPolarHBondContact OG-CB 3.47Å; S93-D106 PolarHBondContact N-OD2 2.87Å |
| 94 | Y | 96.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 9% | 0.09 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -50.2 | 178.6 | 179.6 | -101.8 | 0 | 0 | 0 | 111.9 | L49 R52 L56 T90 G92 L96 G97 H99 I105 | L49-Y94 HydrophobicContact CD1-CE2 4.24Å; R52-Y94 HydrophobicContact CB-CE2 4.11Å; R52-Y94 VanDerWaalsContact CD-CE2 3.45Å; R52-Y94 HydrophobicContact CG-CE2 4.45Å; L56-Y94 HydrophobicContact CD1-CD1 4.39Å; L56-Y94 HydrophobicContact CD1-CE1 3.48Å; L56-Y94 VanDerWaalsContact CD1-CE1 3.48Å; T90-Y94 HydrophobicContact CG2-CD1 3.92Å; T90-Y94 HydrophobicContact CG2-CE1 4.07Å; G92-Y94 PolarHBondContact O-N 2.78Å; Y94-L96 VanDerWaalsContact C-N 3.33Å; Y94-L96 PolarHBondContact O-N 3.05Å; Y94-G97 WeakPolarHBondContact O-CA 3.42Å; Y94-G97 PolarHBondContact O-N 2.94Å; Y94-H99 AromaticContact CD2-CD2 3.87Å; Y94-H99 AromaticContact CD2-CE1 3.63Å; Y94-H99 AromaticContact CD2-CG 3.95Å; Y94-H99 AromaticContact CD2-ND1 3.85Å; Y94-H99 AromaticContact CD2-NE2 3.65Å; Y94-H99 AromaticContact CE2-CE1 3.96Å; Y94-H99 AromaticContact CE2-NE2 3.91Å; Y94-I105 HydrophobicContact CD1-CG2 4.03Å; Y94-I105 HydrophobicContact CG-CG1 4.42Å; Y94-I105 HydrophobicContact CG-CG2 4.33Å |
| 95 | R | 96.9 | Very high | 94.8 | Very high | 97 Ų | 97 | 26.2 Ų | 26.2 | 37% | 0.366 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.5 | -36.5 | 178.2 | 176.7 | 65.9 | 174 | -169.1 | -8.6 | 112.8 | T90 F91 G97 T198 D199 L202 | T90-R95 WeakPolarHBondContact O-CG 3.35Å; F91-R95 VanDerWaalsContact C-CB 3.45Å; F91-R95 VanDerWaalsContact CA-CB 3.44Å; F91-R95 VanDerWaalsContact O-CB 3.23Å; F91-R95 WeakPolarHBondContact O-CB 3.49Å; F91-R95 PolarHBondContact O-N 2.84Å; F91-R95 VanDerWaalsContact O-N 3.15Å; R95-G97 PolarHBondContact O-N 3.35Å; R95-T198 HydrophobicContact CB-CG2 3.84Å; R95-T198 HydrophobicContact CG-CG2 3.5Å; R95-D199 IonicContact CZ-OD1 3.48Å; R95-D199 VanDerWaalsContact CZ-OD1 3.25Å; R95-D199 IonicContact CZ-OD2 2.87Å; R95-D199 IonicContact NE-OD1 3.31Å; R95-D199 PolarHBondContact NE-OD1 3.08Å; R95-D199 IonicContact NE-OD2 2.62Å; R95-D199 IonicContact NH2-OD1 3.42Å; R95-D199 PolarHBondContact NH2-OD1 3.39Å; R95-D199 IonicContact NH2-OD2 2.75Å; R95-D199 PolarHBondContact NH2-OD2 3.22Å; R95-L202 HydrophobicContact CG-CD1 4.46Å |
| 96 | L | 97 | Very high | 95.1 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -24.3 | 171.4 | -73.8 | 175.7 | 0 | 0 | 0 | 112.2 | G92 Y94 V98 T198 I201 L202 F211 R212 L215 A241 | G92-L96 WeakPolarHBondContact O-CB 3.28Å; G92-L96 VanDerWaalsContact O-CG 3.25Å; G92-L96 WeakPolarHBondContact O-CG 3.16Å; G92-L96 PolarHBondContact O-N 3.43Å; G92-L96 VanDerWaalsContact O-N 3.11Å; Y94-L96 VanDerWaalsContact C-N 3.33Å; Y94-L96 PolarHBondContact O-N 3.05Å; L96-V98 HydrophobicContact CB-CG2 3.81Å; L96-V98 HydrophobicContact CD1-CG2 4.27Å; L96-T198 HydrophobicContact CD2-CG2 3.85Å; L96-T198 HydrophobicContact CG-CG2 3.84Å; L96-I201 HydrophobicContact CD2-CG2 4.06Å; L96-L202 HydrophobicContact CD2-CD2 4.05Å; L96-L202 HydrophobicContact CD2-CG 4.01Å; L96-F211 HydrophobicContact CD2-CE1 4.11Å; L96-F211 HydrophobicContact CD2-CZ 4.29Å; L96-R212 VanDerWaalsContact O-CG 3.31Å; L96-R212 WeakPolarHBondContact O-CG 3.4Å; L96-R212 PolarHBondContact O-NE 2.85Å; L96-L215 HydrophobicContact CD1-CD2 4.21Å; L96-A241 HydrophobicContact CD1-CB 3.84Å |
| 97 | G | 95.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 26.7 Ų | 26.7 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 36.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S93 Y94 R95 R216 | S93-G97 PolarHBondContact O-N 3.06Å; Y94-G97 WeakPolarHBondContact O-CA 3.42Å; Y94-G97 PolarHBondContact O-N 2.94Å; R95-G97 PolarHBondContact O-N 3.35Å; G97-R216 VanDerWaalsContact C-NH2 3.31Å; G97-R216 PolarHBondContact O-NE 3.37Å; G97-R216 PolarHBondContact O-NH2 3.47Å |
| 98 | V | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | trans | -132.5 | 16 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | S93 L96 R212 L215 R216 K219 | S93-V98 PolarHBondContact O-N 2.86Å; L96-V98 HydrophobicContact CB-CG2 3.81Å; L96-V98 HydrophobicContact CD1-CG2 4.27Å; V98-R212 HydrophobicContact CG1-CB 3.98Å; V98-R212 HydrophobicContact CG1-CG 3.88Å; V98-L215 HydrophobicContact CB-CD2 4.42Å; V98-L215 HydrophobicContact CB-CG 4.43Å; V98-L215 HydrophobicContact CG1-CB 4.18Å; V98-L215 HydrophobicContact CG1-CD2 4.02Å; V98-L215 HydrophobicContact CG1-CG 4.18Å; V98-L215 HydrophobicContact CG2-CD2 3.86Å; V98-L215 HydrophobicContact CG2-CG 4.19Å; V98-R216 HydrophobicContact CB-CG 4.04Å; V98-R216 HydrophobicContact CG1-CG 4.22Å; V98-K219 HydrophobicContact CG2-CD 4.27Å | ||
| 99 | H | 93.5 | Very high | 95.4 | Very high | 9 Ų | 9 | 23.8 Ų | 23.8 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 152.8 | 171.5 | 63 | -68.7 | 0 | 0 | 0 | 111.6 | E44 S93 Y94 A103 R216 | E44-H99 IonicContact OE1-CD2 2.77Å; E44-H99 PolarHBondContact OE1-CD2 3Å; E44-H99 VanDerWaalsContact OE1-CD2 3.31Å; E44-H99 IonicContact OE1-NE2 3.25Å; E44-H99 PolarHBondContact OE1-NE2 3.41Å; E44-H99 IonicContact OE2-CD2 2.89Å; E44-H99 PolarHBondContact OE2-CD2 2.93Å; E44-H99 IonicContact OE2-CE1 2.65Å; E44-H99 IonicContact OE2-NE2 3.12Å; E44-H99 PolarHBondContact OE2-NE2 2.9Å; S93-H99 PolarHBondContact O-N 3.37Å; S93-H99 WeakPolarHBondContact OG-CB 3.47Å; Y94-H99 AromaticContact CD2-CD2 3.87Å; Y94-H99 AromaticContact CD2-CE1 3.63Å; Y94-H99 AromaticContact CD2-CG 3.95Å; Y94-H99 AromaticContact CD2-ND1 3.85Å; Y94-H99 AromaticContact CD2-NE2 3.65Å; Y94-H99 AromaticContact CE2-CE1 3.96Å; Y94-H99 AromaticContact CE2-NE2 3.91Å; H99-A103 HydrophobicContact CB-CB 4.05Å; H99-R216 PolarHBondContact O-NH1 3.14Å; H99-R216 PolarHBondContact O-NH2 3.24Å |
| 100 | T | 91.8 | Very high | 95.4 | Very high | 34 Ų | 34 | 22.9 Ų | 22.9 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -100.2 | 168.7 | 177 | 55.9 | 0 | 0 | 0 | 0 | 110.3 | V42 A103 | V42-T100 HydrophobicContact CB-CG2 4.27Å; V42-T100 HydrophobicContact CG1-CG2 4.07Å; T100-A103 WeakPolarHBondContact O-CB 3.18Å; T100-A103 PolarHBondContact O-N 3.23Å; T100-A103 VanDerWaalsContact O-N 3.11Å |
| 101 | K | 88.6 | Confident | 95.4 | Very high | 73 Ų | 73 | 21.9 Ų | 21.9 | 32% | 0.317 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 142.7 | 168.7 | -63.2 | -172.1 | 179 | -116.5 | 0 | 110.5 | G41 F43 E44 D45 E48 A103 | G41-K101 PolarHBondContact O-N 2.8Å; F43-K101 WeakPolarHBondContact O-CE 3.26Å; F43-K101 WeakPolarHBondContact O-CG 3.32Å; E44-K101 HydrophobicContact CB-CG 4.47Å; D45-K101 WeakPolarHBondContact OD1-CE 3.49Å; D45-K101 IonicContact OD1-NZ 3.43Å; D45-K101 PolarHBondContact OD1-NZ 3.36Å; D45-K101 IonicContact OD2-NZ 2.71Å; D45-K101 PolarHBondContact OD2-NZ 3.43Å; E48-K101 IonicContact OE1-NZ 2.7Å; E48-K101 VanDerWaalsContact OE2-CE 3.29Å; E48-K101 WeakPolarHBondContact OE2-CE 3.38Å; E48-K101 IonicContact OE2-NZ 3.3Å; E48-K101 PolarHBondContact OE2-NZ 3.17Å; K101-A103 PolarHBondContact O-N 2.93Å; K101-A103 VanDerWaalsContact O-N 3.16Å |
| 102 | G | 87.8 | Confident | 95.4 | Very high | 71 Ų | 71 | 20.6 Ų | 20.6 | 73% | 0.732 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 4.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 103 | A | 92 | Very high | 95.4 | Very high | 16 Ų | 16 | 25.7 Ų | 25.7 | 13% | 0.132 | 14% | 0.14 | C | C | . | . | trans | -69 | 154.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R52 H99 T100 K101 | R52-A103 VanDerWaalsContact CZ-O 3.29Å; R52-A103 PolarHBondContact NH1-O 3.31Å; R52-A103 PolarHBondContact NH2-O 3.15Å; H99-A103 HydrophobicContact CB-CB 4.05Å; T100-A103 WeakPolarHBondContact O-CB 3.18Å; T100-A103 PolarHBondContact O-N 3.23Å; T100-A103 VanDerWaalsContact O-N 3.11Å; K101-A103 PolarHBondContact O-N 2.93Å; K101-A103 VanDerWaalsContact O-N 3.16Å | ||
| 104 | D | 95 | Very high | 95.4 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 9% | 0.086 | 14% | 0.144 | C | C | . | . | trans | -70.5 | 162.8 | 174.3 | 45 | -3.8 | 0 | 0 | 0 | 113.3 | E156 | D104-E156 CarbonylContact C-O 3.49Å; D104-E156 WeakPolarHBondContact CA-O 3.46Å; D104-E156 HydrophobicContact CB-CB 4.17Å | ||
| 105 | I | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 105.8 | 170.5 | -54 | -175.6 | 0 | 0 | 0 | 110.4 | R52 L56 T90 Y94 A107 I155 E156 I157 D158 | R52-I105 HydrophobicContact CB-CD1 4.01Å; R52-I105 HydrophobicContact CG-CD1 3.98Å; L56-I105 HydrophobicContact CD1-CD1 4.29Å; L56-I105 HydrophobicContact CD1-CG2 4.49Å; L56-I105 HydrophobicContact CD2-CG2 4.21Å; L56-I105 HydrophobicContact CG-CD1 4.38Å; T90-I105 HydrophobicContact CG2-CG2 3.84Å; Y94-I105 HydrophobicContact CD1-CG2 4.03Å; Y94-I105 HydrophobicContact CG-CG1 4.42Å; Y94-I105 HydrophobicContact CG-CG2 4.33Å; I105-A107 PolarHBondContact O-N 3.06Å; I105-I155 HydrophobicContact CD1-CG2 3.74Å; I105-I155 HydrophobicContact CG1-CG2 3.88Å; I105-E156 PolarHBondContact N-O 3.01Å; I105-I157 HydrophobicContact CB-CG1 4.5Å; I105-D158 PolarHBondContact O-N 2.8Å; I105-D158 VanDerWaalsContact O-N 3.08Å |
| 106 | D | 97.8 | Very high | 95.4 | Very high | 35 Ų | 35 | 26.1 Ų | 26.1 | 19% | 0.187 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 112.1 | 162.5 | -68.7 | -77.1 | 0 | 0 | 0 | 111 | T90 F91 G92 S93 | T90-D106 VanDerWaalsContact CA-O 3.29Å; T90-D106 WeakPolarHBondContact CA-O 3.31Å; F91-D106 HydrophobicContact CD1-CB 3.99Å; F91-D106 HydrophobicContact CD2-CB 3.65Å; F91-D106 HydrophobicContact CE1-CB 4.02Å; F91-D106 HydrophobicContact CE2-CB 3.67Å; F91-D106 WeakPolarHBondContact CE2-OD1 3.41Å; F91-D106 HydrophobicContact CG-CB 3.8Å; F91-D106 HydrophobicContact CZ-CB 3.85Å; F91-D106 PolarHBondContact N-O 3.19Å; G92-D106 VanDerWaalsContact CA-OD2 3.32Å; G92-D106 WeakPolarHBondContact CA-OD2 3.16Å; S93-D106 PolarHBondContact N-OD2 2.87Å |
| 107 | A | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I88 I105 I157 D158 L159 V160 | I88-A107 HydrophobicContact CG2-CB 4.06Å; I105-A107 PolarHBondContact O-N 3.06Å; A107-I157 HydrophobicContact CB-CG2 4.17Å; A107-D158 PolarHBondContact N-O 3.2Å; A107-L159 HydrophobicContact CB-CD1 3.61Å; A107-L159 CarbonylContact O-C 3.39Å; A107-L159 WeakPolarHBondContact O-CA 3.39Å; A107-V160 VanDerWaalsContact O-CG2 3.3Å; A107-V160 WeakPolarHBondContact O-CG2 3.32Å; A107-V160 PolarHBondContact O-N 3.31Å |
| 108 | L | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.7 | 176.9 | 174.4 | 68.3 | 0 | 0 | 0 | 110.3 | I88 F89 F91 V110 V160 A162 L175 L192 C195 | I88-L108 VanDerWaalsContact CA-O 3.32Å; I88-L108 WeakPolarHBondContact CA-O 3.29Å; F89-L108 HydrophobicContact CB-CB 4.44Å; F89-L108 PolarHBondContact N-O 2.85Å; F89-L108 PolarHBondContact O-N 2.98Å; F91-L108 HydrophobicContact CD1-CB 4.3Å; F91-L108 HydrophobicContact CE1-CB 4.23Å; L108-V110 HydrophobicContact CD2-CG2 3.69Å; L108-V110 HydrophobicContact CG-CG2 3.77Å; L108-V160 WeakPolarHBondContact CA-O 3.48Å; L108-V160 HydrophobicContact CB-CG2 4.17Å; L108-V160 HydrophobicContact CD1-CG2 3.74Å; L108-A162 HydrophobicContact CD1-CB 3.85Å; L108-L175 HydrophobicContact CD2-CD1 3.97Å; L108-L192 HydrophobicContact CD2-CD2 3.98Å; L108-C195 HydrophobicContact CD2-CB 4.32Å; L108-C195 VanDerWaalsContact CD2-SG 3.56Å |
| 109 | C | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.1 | 165.5 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | F120 L159 V160 F161 A162 | C109-F120 HydrophobicContact CB-CE2 4.03Å; C109-L159 HydrophobicContact CB-CD1 4.1Å; C109-L159 HydrophobicContact CB-CG 4.37Å; C109-V160 PolarHBondContact N-O 2.98Å; C109-F161 HydrophobicContact CB-CD2 4.24Å; C109-A162 PolarHBondContact O-N 3.08Å |
| 110 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.8 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | K87 F89 L108 A162 L164 I169 L173 L175 | K87-V110 PolarHBondContact N-O 3.45Å; K87-V110 PolarHBondContact O-N 3.41Å; F89-V110 HydrophobicContact CD2-CB 4.13Å; F89-V110 HydrophobicContact CD2-CG2 3.5Å; F89-V110 VanDerWaalsContact CD2-CG2 3.5Å; F89-V110 HydrophobicContact CE2-CB 3.96Å; F89-V110 HydrophobicContact CE2-CG1 4.45Å; F89-V110 HydrophobicContact CE2-CG2 3.69Å; L108-V110 HydrophobicContact CD2-CG2 3.69Å; L108-V110 HydrophobicContact CG-CG2 3.77Å; V110-A162 WeakPolarHBondContact CA-O 3.36Å; V110-L164 HydrophobicContact CG1-CD1 3.54Å; V110-L164 HydrophobicContact CG1-CG 3.91Å; V110-I169 HydrophobicContact CG1-CD1 4.12Å; V110-I169 HydrophobicContact CG1-CG2 4.24Å; V110-L173 HydrophobicContact CG1-CD2 4.05Å; V110-L175 HydrophobicContact CG2-CD1 4.23Å; V110-L175 HydrophobicContact CG2-CD2 4.4Å |
| 111 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 153.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I67 V115 F161 A162 R163 L164 | I67-A111 HydrophobicContact CD1-CB 3.88Å; I67-A111 HydrophobicContact CG1-CB 4.47Å; A111-V115 HydrophobicContact CB-CB 3.95Å; A111-V115 HydrophobicContact CB-CG1 3.94Å; A111-F161 HydrophobicContact CB-CE2 3.52Å; A111-F161 HydrophobicContact CB-CZ 3.93Å; A111-A162 PolarHBondContact N-O 3.31Å; A111-R163 WeakPolarHBondContact O-CA 3.46Å; A111-L164 PolarHBondContact O-N 3.27Å |
| 112 | P | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -72.3 | 167.7 | 179 | 34.7 | -41.5 | 0 | 0 | 0 | 112.6 | I67 V84 H114 V115 Q167 I169 | I67-P112 HydrophobicContact CG2-CG 3.79Å; V84-P112 HydrophobicContact CG2-CB 4.27Å; V84-P112 HydrophobicContact CG2-CG 3.74Å; P112-H114 WeakPolarHBondContact CG-CE1 3.43Å; P112-H114 PolarHBondContact O-N 2.69Å; P112-V115 HydrophobicContact CG-CG2 3.83Å; P112-V115 PolarHBondContact O-N 3Å; P112-V115 VanDerWaalsContact O-N 3.1Å; P112-Q167 WeakPolarHBondContact CB-O 3.42Å; P112-I169 HydrophobicContact CB-CG1 4.24Å | ||
| 113 | R | 95.6 | Very high | 96.8 | Very high | 126 Ų | 126 | 29.8 Ų | 29.8 | 48% | 0.475 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.4 | -167.9 | 69 | 179.1 | -174.3 | 175.3 | -1.6 | 116.8 | R163 L164 I166 | R113-R163 WeakPolarHBondContact O-CD 3.32Å; R113-R163 PolarHBondContact O-NH1 3.16Å; R113-L164 WeakPolarHBondContact CA-O 3.49Å; R113-L164 WeakPolarHBondContact CB-O 3.43Å; R113-L164 PolarHBondContact N-O 2.94Å; R113-I166 WeakPolarHBondContact CB-O 3.44Å; R113-I166 WeakPolarHBondContact CG-O 3.47Å; R113-I166 PolarHBondContact N-O 3.36Å |
| 114 | H | 95.4 | Very high | 97 | Very high | 35 Ų | 35 | 29 Ų | 29 | 16% | 0.162 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -11.3 | -176.3 | 57.5 | -79.4 | 0 | 0 | 0 | 114.4 | S71 K74 L76 P112 | S71-H114 PolarHBondContact OG-NE2 2.84Å; K74-H114 PolarHBondContact NZ-O 2.95Å; L76-H114 WeakPolarHBondContact CD2-NE2 3.5Å; P112-H114 WeakPolarHBondContact CG-CE1 3.43Å; P112-H114 PolarHBondContact O-N 2.69Å |
| 115 | V | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -88.7 | 117.9 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | W66 I67 I70 A111 P112 D119 F161 R163 | W66-V115 HydrophobicContact CH2-CG1 3.26Å; W66-V115 HydrophobicContact CZ2-CG1 3.61Å; W66-V115 HydrophobicContact CZ3-CG1 3.93Å; I67-V115 HydrophobicContact CG1-CG2 4.33Å; I67-V115 HydrophobicContact CG2-CG2 4.1Å; I70-V115 HydrophobicContact CB-CG2 4.43Å; I70-V115 HydrophobicContact CG2-CB 4.48Å; I70-V115 HydrophobicContact CG2-CG1 4.49Å; I70-V115 HydrophobicContact CG2-CG2 3.86Å; A111-V115 HydrophobicContact CB-CB 3.95Å; A111-V115 HydrophobicContact CB-CG1 3.94Å; P112-V115 HydrophobicContact CG-CG2 3.83Å; P112-V115 PolarHBondContact O-N 3Å; P112-V115 VanDerWaalsContact O-N 3.1Å; V115-D119 WeakPolarHBondContact CA-OD2 3.5Å; V115-D119 HydrophobicContact CG1-CB 4.34Å; V115-F161 HydrophobicContact CG1-CE2 4.28Å; V115-F161 HydrophobicContact CG1-CZ 4.18Å; V115-R163 WeakPolarHBondContact O-CD 2.94Å; V115-R163 WeakPolarHBondContact O-CG 3.24Å | ||
| 116 | E | 96.1 | Very high | 97.2 | Very high | 106 Ų | 106 | 33.8 Ų | 33.8 | 50% | 0.495 | 16% | 0.161 | S | C | . | . | trans | -94.1 | 167.2 | -172.9 | -61.2 | -164.4 | 168.8 | 0 | 0 | 113 | S118 D119 F120 | E116-S118 VanDerWaalsContact C-N 3.3Å; E116-S118 WeakPolarHBondContact CB-OG 3.3Å; E116-S118 PolarHBondContact OE2-OG 3.33Å; E116-D119 PolarHBondContact N-OD2 3.3Å; E116-D119 WeakPolarHBondContact O-CB 3.4Å; E116-D119 PolarHBondContact O-N 3.48Å; E116-F120 PolarHBondContact O-N 3.35Å | ||
| 117 | R | 96.2 | Very high | 97.1 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.6 | -31.3 | 175.8 | -177.6 | 176.1 | -65.5 | 101.6 | 3 | 112 | F120 F121 F161 D185 C188 | R117-F120 PolarHBondContact O-N 2.69Å; R117-F121 HydrophobicContact CG-CD2 3.74Å; R117-F121 HydrophobicContact CG-CE2 3.7Å; R117-F121 WeakPolarHBondContact O-CD2 3.32Å; R117-F121 PolarHBondContact O-N 3.43Å; R117-F121 VanDerWaalsContact O-N 3.07Å; R117-F161 HydrophobicContact CB-CD1 4.16Å; R117-F161 HydrophobicContact CB-CE1 4.08Å; R117-F161 HydrophobicContact CG-CD1 4.33Å; R117-D185 IonicContact CZ-OD1 2.77Å; R117-D185 IonicContact CZ-OD2 3.69Å; R117-D185 IonicContact NH1-OD1 3.05Å; R117-D185 PolarHBondContact NH1-OD1 2.86Å; R117-D185 IonicContact NH1-OD2 2.67Å; R117-D185 PolarHBondContact NH1-OD2 2.87Å; R117-D185 VanDerWaalsContact NH2-CG 3.34Å; R117-D185 IonicContact NH2-OD1 3.36Å; R117-D185 PolarHBondContact NH2-OD1 2.78Å; R117-D185 IonicContact NH2-OD2 3.08Å; R117-D185 PolarHBondContact NH2-OD2 2.82Å; R117-C188 VanDerWaalsContact NH2-N 3.18Å; R117-C188 PolarHBondContact NH2-SG 3.16Å |
| 118 | S | 96.7 | Very high | 97.1 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 31% | 0.308 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.1 | -52 | 166.6 | 27.8 | 0 | 0 | 0 | 0 | 111 | E116 F120 F121 Q122 | E116-S118 VanDerWaalsContact C-N 3.3Å; E116-S118 WeakPolarHBondContact CB-OG 3.3Å; E116-S118 PolarHBondContact OE2-OG 3.33Å; S118-F120 VanDerWaalsContact C-N 3.26Å; S118-F120 PolarHBondContact O-N 2.8Å; S118-F121 PolarHBondContact O-N 2.92Å; S118-Q122 VanDerWaalsContact O-CB 3.28Å; S118-Q122 WeakPolarHBondContact O-CB 3.48Å; S118-Q122 WeakPolarHBondContact O-CG 3.36Å; S118-Q122 PolarHBondContact O-N 3.38Å |
| 119 | D | 97.4 | Very high | 97 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.9 | -43.8 | 176.4 | -50.9 | -21 | 0 | 0 | 0 | 110.9 | W66 I70 K74 V115 E116 Q122 S123 F124 | W66-D119 HydrophobicContact CZ2-CB 3.72Å; I70-D119 HydrophobicContact CD1-CB 4.28Å; I70-D119 WeakPolarHBondContact CG2-OD2 3.41Å; K74-D119 VanDerWaalsContact NZ-CG 3.33Å; K74-D119 IonicContact NZ-OD1 2.77Å; K74-D119 PolarHBondContact NZ-OD1 3.19Å; K74-D119 IonicContact NZ-OD2 3.14Å; K74-D119 PolarHBondContact NZ-OD2 3.2Å; V115-D119 WeakPolarHBondContact CA-OD2 3.5Å; V115-D119 HydrophobicContact CG1-CB 4.34Å; E116-D119 PolarHBondContact N-OD2 3.3Å; E116-D119 WeakPolarHBondContact O-CB 3.4Å; E116-D119 PolarHBondContact O-N 3.48Å; D119-Q122 PolarHBondContact O-N 3.47Å; D119-S123 PolarHBondContact O-N 2.89Å; D119-S123 PolarHBondContact O-OG 2.96Å; D119-F124 PolarHBondContact O-N 3.14Å |
| 120 | F | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -63.3 | -46.7 | 179.7 | 178.3 | -104.3 | 0 | 0 | 0 | 113.1 | W66 C109 E116 R117 S118 Q122 F124 F125 I148 L159 F161 | W66-F120 HydrophobicContact CH2-CB 3.93Å; W66-F120 HydrophobicContact CH2-CD2 4.17Å; W66-F120 HydrophobicContact CZ2-CB 4.29Å; W66-F120 HydrophobicContact CZ3-CD2 4.38Å; C109-F120 HydrophobicContact CB-CE2 4.03Å; E116-F120 PolarHBondContact O-N 3.35Å; R117-F120 PolarHBondContact O-N 2.69Å; S118-F120 VanDerWaalsContact C-N 3.26Å; S118-F120 PolarHBondContact O-N 2.8Å; F120-Q122 VanDerWaalsContact C-N 3.32Å; F120-Q122 PolarHBondContact O-N 2.86Å; F120-F124 HydrophobicContact CD2-CB 4.33Å; F120-F124 AromaticContact CD2-CD1 3.85Å; F120-F124 HydrophobicContact CD2-CD1 3.85Å; F120-F124 HydrophobicContact CD2-CG 4.41Å; F120-F124 AromaticContact CE2-CD1 3.72Å; F120-F124 HydrophobicContact CE2-CD1 3.72Å; F120-F124 HydrophobicContact CE2-CE1 4.21Å; F120-F124 WeakPolarHBondContact O-CB 3.48Å; F120-F125 PolarHBondContact O-N 2.85Å; F120-I148 HydrophobicContact CD1-CD1 3.89Å; F120-I148 HydrophobicContact CD1-CG1 4.31Å; F120-I148 HydrophobicContact CD2-CD1 4.45Å; F120-I148 HydrophobicContact CE1-CB 4.39Å; F120-I148 HydrophobicContact CE1-CD1 3.49Å; F120-I148 VanDerWaalsContact CE1-CD1 3.49Å; F120-I148 HydrophobicContact CE1-CG1 3.59Å; F120-I148 HydrophobicContact CE2-CD1 4.08Å; F120-I148 HydrophobicContact CG-CD1 4.36Å; F120-I148 HydrophobicContact CZ-CB 4.29Å; F120-I148 HydrophobicContact CZ-CD1 3.6Å; F120-I148 HydrophobicContact CZ-CG1 3.88Å; F120-I148 WeakPolarHBondContact O-CD1 3.5Å; F120-L159 HydrophobicContact CE2-CD2 3.92Å; F120-L159 HydrophobicContact CE2-CG 4.21Å; F120-L159 HydrophobicContact CZ-CD2 4.09Å; F120-L159 HydrophobicContact CZ-CG 4.02Å; F120-F161 HydrophobicContact CB-CB 4.41Å; F120-F161 HydrophobicContact CB-CD1 4.27Å; F120-F161 HydrophobicContact CB-CD2 3.79Å; F120-F161 HydrophobicContact CB-CE1 4.5Å; F120-F161 HydrophobicContact CB-CE2 4.03Å; F120-F161 HydrophobicContact CB-CG 3.91Å; F120-F161 HydrophobicContact CB-CZ 4.38Å; F120-F161 HydrophobicContact CD1-CB 3.52Å; F120-F161 HydrophobicContact CD1-CD2 4.36Å; F120-F161 AromaticContact CD1-CG 3.98Å; F120-F161 HydrophobicContact CD1-CG 3.98Å; F120-F161 HydrophobicContact CD2-CB 3.99Å; F120-F161 AromaticContact CD2-CD2 3.57Å; F120-F161 HydrophobicContact CD2-CD2 3.57Å; F120-F161 HydrophobicContact CD2-CE2 4.34Å; F120-F161 HydrophobicContact CD2-CG 4.02Å; F120-F161 HydrophobicContact CE1-CB 3.6Å; F120-F161 HydrophobicContact CE1-CG 4.49Å; F120-F161 HydrophobicContact CE2-CB 4.07Å; F120-F161 HydrophobicContact CE2-CD2 4.21Å; F120-F161 HydrophobicContact CG-CB 3.71Å; F120-F161 HydrophobicContact CG-CD1 4.47Å; F120-F161 AromaticContact CG-CD2 3.65Å; F120-F161 HydrophobicContact CG-CD2 3.65Å; F120-F161 HydrophobicContact CG-CE2 4.36Å; F120-F161 AromaticContact CG-CG 3.7Å; F120-F161 HydrophobicContact CG-CG 3.7Å; F120-F161 HydrophobicContact CZ-CB 3.88Å |
| 121 | F | 97.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -80.1 | -10.1 | 179.8 | -72.8 | -67.2 | 0 | 0 | 0 | 114.5 | R117 S118 F125 A139 E141 P146 I148 | R117-F121 HydrophobicContact CG-CD2 3.74Å; R117-F121 HydrophobicContact CG-CE2 3.7Å; R117-F121 WeakPolarHBondContact O-CD2 3.32Å; R117-F121 PolarHBondContact O-N 3.43Å; R117-F121 VanDerWaalsContact O-N 3.07Å; S118-F121 PolarHBondContact O-N 2.92Å; F121-F125 VanDerWaalsContact O-CB 3.26Å; F121-F125 WeakPolarHBondContact O-CB 3.5Å; F121-A139 HydrophobicContact CD1-CB 3.79Å; F121-A139 HydrophobicContact CE1-CB 4.15Å; F121-E141 HydrophobicContact CB-CG 4.14Å; F121-E141 HydrophobicContact CD1-CG 3.66Å; F121-E141 HydrophobicContact CD2-CG 3.71Å; F121-E141 WeakPolarHBondContact CD2-OE2 3.32Å; F121-E141 HydrophobicContact CE1-CG 3.92Å; F121-E141 HydrophobicContact CE2-CG 3.99Å; F121-E141 HydrophobicContact CG-CG 3.55Å; F121-E141 HydrophobicContact CZ-CG 4.1Å; F121-P146 HydrophobicContact CE2-CB 3.7Å; F121-P146 HydrophobicContact CZ-CB 3.55Å; F121-I148 HydrophobicContact CD1-CD1 4.01Å; F121-I148 HydrophobicContact CD1-CG1 3.65Å; F121-I148 HydrophobicContact CE1-CD1 4.25Å; F121-I148 HydrophobicContact CE1-CG1 3.48Å; F121-I148 VanDerWaalsContact CE1-CG1 3.48Å |
| 122 | Q | 96.4 | Very high | 96.6 | Very high | 129 Ų | 129 | 57 Ų | 57 | 60% | 0.603 | 27% | 0.271 | S | S | * | . | I | π-helix | trans | -110.5 | -74.3 | 178.9 | -62.8 | 174.4 | -4.1 | 0 | 0 | 111.5 | S118 D119 F120 F125 E126 | S118-Q122 VanDerWaalsContact O-CB 3.28Å; S118-Q122 WeakPolarHBondContact O-CB 3.48Å; S118-Q122 WeakPolarHBondContact O-CG 3.36Å; S118-Q122 PolarHBondContact O-N 3.38Å; D119-Q122 PolarHBondContact O-N 3.47Å; F120-Q122 VanDerWaalsContact C-N 3.32Å; F120-Q122 PolarHBondContact O-N 2.86Å; Q122-F125 PolarHBondContact O-N 3.16Å; Q122-E126 PolarHBondContact O-N 3.2Å |
| 123 | S | 97.3 | Very high | 96.5 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 30% | 0.301 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -73.2 | -36.7 | -172.4 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | W66 I70 D119 K127 | W66-S123 PolarHBondContact NE1-OG 3.02Å; I70-S123 WeakPolarHBondContact CD1-OG 3.39Å; D119-S123 PolarHBondContact O-N 2.89Å; D119-S123 PolarHBondContact O-OG 2.96Å; S123-K127 WeakPolarHBondContact O-CB 3.21Å; S123-K127 PolarHBondContact O-N 3.36Å |
| 124 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -72.4 | -40 | 173.9 | -165.9 | -119.4 | 0 | 0 | 0 | 111.8 | L62 V63 W66 D119 F120 E126 K127 L128 L159 | L62-F124 HydrophobicContact CB-CE2 4.36Å; V63-F124 HydrophobicContact CG2-CE1 4.11Å; V63-F124 HydrophobicContact CG2-CE2 3.97Å; V63-F124 HydrophobicContact CG2-CZ 3.47Å; V63-F124 VanDerWaalsContact CG2-CZ 3.47Å; W66-F124 HydrophobicContact CB-CD2 3.63Å; W66-F124 HydrophobicContact CB-CE2 4Å; W66-F124 HydrophobicContact CD2-CB 3.76Å; W66-F124 AromaticContact CD2-CD2 3.54Å; W66-F124 HydrophobicContact CD2-CD2 3.54Å; W66-F124 HydrophobicContact CD2-CE2 4.42Å; W66-F124 AromaticContact CD2-CG 3.88Å; W66-F124 HydrophobicContact CD2-CG 3.88Å; W66-F124 HydrophobicContact CE3-CB 4.24Å; W66-F124 AromaticContact CE3-CD2 3.8Å; W66-F124 HydrophobicContact CE3-CD2 3.8Å; W66-F124 HydrophobicContact CE3-CE2 4.39Å; W66-F124 HydrophobicContact CE3-CG 4.04Å; W66-F124 HydrophobicContact CG-CB 4.12Å; W66-F124 AromaticContact CG-CD2 3.43Å; W66-F124 HydrophobicContact CG-CD2 3.43Å; W66-F124 VanDerWaalsContact CG-CD2 3.43Å; W66-F124 HydrophobicContact CG-CE2 4.26Å; W66-F124 HydrophobicContact CG-CG 4.16Å; W66-F124 HydrophobicContact CH2-CB 4.38Å; W66-F124 HydrophobicContact CZ2-CB 3.92Å; D119-F124 PolarHBondContact O-N 3.14Å; F120-F124 HydrophobicContact CD2-CB 4.33Å; F120-F124 AromaticContact CD2-CD1 3.85Å; F120-F124 HydrophobicContact CD2-CD1 3.85Å; F120-F124 HydrophobicContact CD2-CG 4.41Å; F120-F124 AromaticContact CE2-CD1 3.72Å; F120-F124 HydrophobicContact CE2-CD1 3.72Å; F120-F124 HydrophobicContact CE2-CE1 4.21Å; F120-F124 WeakPolarHBondContact O-CB 3.48Å; F124-E126 VanDerWaalsContact C-N 3.34Å; F124-E126 PolarHBondContact O-N 3.08Å; F124-K127 PolarHBondContact O-N 3.19Å; F124-K127 VanDerWaalsContact O-N 3.11Å; F124-L128 HydrophobicContact CD1-CD1 3.79Å; F124-L128 HydrophobicContact CD1-CG 4.06Å; F124-L128 HydrophobicContact CE1-CD1 3.62Å; F124-L128 HydrophobicContact CE1-CD2 3.83Å; F124-L128 HydrophobicContact CE1-CG 3.79Å; F124-L128 HydrophobicContact CE2-CD2 4.39Å; F124-L128 HydrophobicContact CZ-CD1 4.35Å; F124-L128 HydrophobicContact CZ-CD2 3.72Å; F124-L128 HydrophobicContact CZ-CG 4.04Å; F124-L128 WeakPolarHBondContact O-CG 2.98Å; F124-L128 PolarHBondContact O-N 3.45Å; F124-L159 HydrophobicContact CD1-CD2 4.42Å; F124-L159 HydrophobicContact CE1-CD2 3.61Å; F124-L159 HydrophobicContact CZ-CD2 4.5Å |
| 125 | F | 97.5 | Very high | 96.6 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 174.5 | -173.2 | -90.4 | 0 | 0 | 0 | 111.8 | F120 F121 Q122 L128 K129 L137 A139 I148 | F120-F125 PolarHBondContact O-N 2.85Å; F121-F125 VanDerWaalsContact O-CB 3.26Å; F121-F125 WeakPolarHBondContact O-CB 3.5Å; Q122-F125 PolarHBondContact O-N 3.16Å; F125-L128 PolarHBondContact O-N 2.68Å; F125-K129 WeakPolarHBondContact O-CB 3.39Å; F125-K129 PolarHBondContact O-N 3.05Å; F125-L137 HydrophobicContact CD2-CD1 4.06Å; F125-L137 HydrophobicContact CD2-CD2 4.42Å; F125-L137 HydrophobicContact CD2-CG 4.16Å; F125-L137 HydrophobicContact CE1-CD2 4.4Å; F125-L137 HydrophobicContact CE2-CD1 3.81Å; F125-L137 HydrophobicContact CE2-CD2 4.16Å; F125-L137 HydrophobicContact CE2-CG 3.59Å; F125-L137 HydrophobicContact CZ-CD2 4.14Å; F125-L137 HydrophobicContact CZ-CG 3.8Å; F125-A139 HydrophobicContact CD2-CB 4.09Å; F125-A139 HydrophobicContact CE2-CB 3.93Å; F125-I148 HydrophobicContact CB-CD1 4.28Å; F125-I148 HydrophobicContact CD2-CD1 4.13Å; F125-I148 HydrophobicContact CD2-CG1 4.37Å; F125-I148 HydrophobicContact CD2-CG2 4.1Å; F125-I148 HydrophobicContact CE2-CG2 4.4Å |
| 126 | E | 97.3 | Very high | 96.4 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.8 | -32.7 | 174.4 | -70.2 | -66.9 | 131.9 | 0 | 0 | 112.7 | Q122 F124 K129 H130 | Q122-E126 PolarHBondContact O-N 3.2Å; F124-E126 VanDerWaalsContact C-N 3.34Å; F124-E126 PolarHBondContact O-N 3.08Å; E126-K129 PolarHBondContact O-N 2.91Å; E126-K129 VanDerWaalsContact OE1-CD 3.29Å; E126-K129 WeakPolarHBondContact OE1-CD 3.26Å; E126-K129 IonicContact OE1-NZ 2.69Å; E126-K129 PolarHBondContact OE1-NZ 3.06Å; E126-K129 WeakPolarHBondContact OE2-CD 3.16Å; E126-K129 IonicContact OE2-NZ 2.7Å; E126-K129 PolarHBondContact OE2-NZ 3.17Å; E126-H130 PolarHBondContact O-N 2.65Å; E126-H130 PolarHBondContact O-ND1 2.97Å; E126-H130 IonicContact OE2-CE1 3.72Å |
| 127 | K | 97.1 | Very high | 96.4 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 172 | -164.4 | -176.7 | 175.3 | 95 | 0 | 111.5 | E65 W66 D69 S123 F124 K129 H130 Q131 | E65-K127 WeakPolarHBondContact OE2-CE 3.26Å; E65-K127 IonicContact OE2-NZ 3.41Å; E65-K127 PolarHBondContact OE2-NZ 2.75Å; W66-K127 HydrophobicContact CB-CD 3.85Å; D69-K127 IonicContact OD2-NZ 3.84Å; D69-K127 PolarHBondContact OD2-NZ 2.87Å; S123-K127 WeakPolarHBondContact O-CB 3.21Å; S123-K127 PolarHBondContact O-N 3.36Å; F124-K127 PolarHBondContact O-N 3.19Å; F124-K127 VanDerWaalsContact O-N 3.11Å; K127-K129 VanDerWaalsContact C-N 3.33Å; K127-K129 PolarHBondContact O-N 3.48Å; K127-H130 PolarHBondContact O-N 3.45Å; K127-Q131 PolarHBondContact O-N 3.37Å |
| 128 | L | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 174.8 | -67.4 | 172.9 | 0 | 0 | 0 | 112.5 | L59 F124 F125 H130 Q131 I134 L137 I148 F150 | L59-L128 HydrophobicContact CD1-CD2 3.82Å; F124-L128 HydrophobicContact CD1-CD1 3.79Å; F124-L128 HydrophobicContact CD1-CG 4.06Å; F124-L128 HydrophobicContact CE1-CD1 3.62Å; F124-L128 HydrophobicContact CE1-CD2 3.83Å; F124-L128 HydrophobicContact CE1-CG 3.79Å; F124-L128 HydrophobicContact CE2-CD2 4.39Å; F124-L128 HydrophobicContact CZ-CD1 4.35Å; F124-L128 HydrophobicContact CZ-CD2 3.72Å; F124-L128 HydrophobicContact CZ-CG 4.04Å; F124-L128 WeakPolarHBondContact O-CG 2.98Å; F124-L128 PolarHBondContact O-N 3.45Å; F125-L128 PolarHBondContact O-N 2.68Å; L128-H130 VanDerWaalsContact C-N 3.25Å; L128-H130 PolarHBondContact O-N 3.03Å; L128-Q131 WeakPolarHBondContact O-CB 3.42Å; L128-Q131 PolarHBondContact O-N 3.13Å; L128-I134 HydrophobicContact CB-CD1 3.98Å; L128-I134 HydrophobicContact CD2-CD1 3.48Å; L128-I134 VanDerWaalsContact CD2-CD1 3.48Å; L128-I134 HydrophobicContact CG-CD1 4.31Å; L128-L137 HydrophobicContact CB-CD1 4.24Å; L128-L137 HydrophobicContact CB-CD2 3.91Å; L128-L137 HydrophobicContact CD1-CD1 4.06Å; L128-I148 HydrophobicContact CD1-CG2 4.09Å; L128-F150 HydrophobicContact CD1-CE1 4.33Å; L128-F150 HydrophobicContact CD2-CZ 4.41Å |
| 129 | K | 95.3 | Very high | 96 | Very high | 120 Ų | 120 | 58.8 Ų | 58.8 | 52% | 0.522 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.6 | -22.4 | -179.9 | -178.2 | 179.3 | 160.6 | -154 | 0 | 113.9 | F125 E126 K127 L137 | F125-K129 WeakPolarHBondContact O-CB 3.39Å; F125-K129 PolarHBondContact O-N 3.05Å; E126-K129 PolarHBondContact O-N 2.91Å; E126-K129 VanDerWaalsContact OE1-CD 3.29Å; E126-K129 WeakPolarHBondContact OE1-CD 3.26Å; E126-K129 IonicContact OE1-NZ 2.69Å; E126-K129 PolarHBondContact OE1-NZ 3.06Å; E126-K129 WeakPolarHBondContact OE2-CD 3.16Å; E126-K129 IonicContact OE2-NZ 2.7Å; E126-K129 PolarHBondContact OE2-NZ 3.17Å; K127-K129 VanDerWaalsContact C-N 3.33Å; K127-K129 PolarHBondContact O-N 3.48Å; K129-L137 HydrophobicContact CB-CD2 3.74Å |
| 130 | H | 95.3 | Very high | 95.7 | Very high | 149 Ų | 149 | 59.6 Ų | 59.6 | 69% | 0.69 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.1 | 174.9 | -62.9 | 88.7 | 0 | 0 | 0 | 113 | E126 K127 L128 | E126-H130 PolarHBondContact O-N 2.65Å; E126-H130 PolarHBondContact O-ND1 2.97Å; E126-H130 IonicContact OE2-CE1 3.72Å; K127-H130 PolarHBondContact O-N 3.45Å; L128-H130 VanDerWaalsContact C-N 3.25Å; L128-H130 PolarHBondContact O-N 3.03Å |
| 131 | Q | 95.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -88.7 | 122.6 | -178.7 | 173.2 | 57 | 50.6 | 0 | 0 | 111.7 | L62 K127 L128 G133 I134 F152 | L62-Q131 HydrophobicContact CD1-CG 3.75Å; K127-Q131 PolarHBondContact O-N 3.37Å; L128-Q131 WeakPolarHBondContact O-CB 3.42Å; L128-Q131 PolarHBondContact O-N 3.13Å; Q131-G133 PolarHBondContact O-N 3.47Å; Q131-I134 HydrophobicContact CB-CD1 3.92Å; Q131-I134 HydrophobicContact CB-CG1 4.19Å; Q131-I134 HydrophobicContact CG-CD1 3.86Å; Q131-I134 HydrophobicContact CG-CG1 3.95Å; Q131-I134 PolarHBondContact O-N 2.99Å; Q131-F152 HydrophobicContact CG-CE2 4.23Å; Q131-F152 HydrophobicContact CG-CZ 4.02Å |
| 132 | D | 95.3 | Very high | 94.8 | Very high | 143 Ų | 143 | 70.2 Ų | 70.2 | 77% | 0.765 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 134.8 | 170.6 | -76.1 | -42 | 0 | 0 | 0 | 111.9 | ||
| 133 | G | 94.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 65 Ų | 65 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -13.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q131 F152 D153 | Q131-G133 PolarHBondContact O-N 3.47Å; G133-F152 WeakPolarHBondContact O-CA 3.34Å; G133-D153 WeakPolarHBondContact CA-OD1 3.1Å; G133-D153 PolarHBondContact O-N 2.91Å |
| 134 | I | 96.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 68.9 Ų | 68.9 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 136.2 | 176.8 | -66.6 | -170.1 | 0 | 0 | 0 | 111.9 | L128 Q131 L137 F150 E151 F152 | L128-I134 HydrophobicContact CB-CD1 3.98Å; L128-I134 HydrophobicContact CD2-CD1 3.48Å; L128-I134 VanDerWaalsContact CD2-CD1 3.48Å; L128-I134 HydrophobicContact CG-CD1 4.31Å; Q131-I134 HydrophobicContact CB-CD1 3.92Å; Q131-I134 HydrophobicContact CB-CG1 4.19Å; Q131-I134 HydrophobicContact CG-CD1 3.86Å; Q131-I134 HydrophobicContact CG-CG1 3.95Å; Q131-I134 PolarHBondContact O-N 2.99Å; I134-L137 HydrophobicContact CG2-CB 4.2Å; I134-L137 HydrophobicContact CG2-CD2 4.47Å; I134-F150 HydrophobicContact CD1-CD2 3.92Å; I134-F150 HydrophobicContact CD1-CE2 3.82Å; I134-F150 HydrophobicContact CG1-CD2 4.16Å; I134-F150 HydrophobicContact CG1-CE2 4.36Å; I134-F150 HydrophobicContact CG2-CB 4.27Å; I134-F150 HydrophobicContact CG2-CD2 4.04Å; I134-F150 HydrophobicContact CG2-CG 4.49Å; I134-E151 CarbonylContact C-O 3.34Å; I134-E151 WeakPolarHBondContact CA-O 3.37Å; I134-F152 HydrophobicContact CD1-CD1 4.31Å; I134-F152 HydrophobicContact CD1-CE1 4.45Å; I134-F152 HydrophobicContact CD1-CG 4.36Å; I134-F152 HydrophobicContact CG1-CB 4.25Å; I134-F152 HydrophobicContact CG1-CD1 4.24Å; I134-F152 HydrophobicContact CG1-CD2 3.68Å; I134-F152 HydrophobicContact CG1-CE2 4.01Å; I134-F152 HydrophobicContact CG1-CG 3.8Å; I134-F152 HydrophobicContact CG1-CZ 4.42Å |
| 135 | R | 95.4 | Very high | 93.7 | Very high | 163 Ų | 163 | 70.6 Ų | 70.6 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140 | 164.2 | 179.6 | -65 | 179 | 174.1 | -172 | -1.9 | 110.3 | L137 E151 | R135-L137 PolarHBondContact O-N 2.99Å; R135-E151 HydrophobicContact CB-CB 4.13Å; R135-E151 HydrophobicContact CB-CG 4.41Å; R135-E151 WeakPolarHBondContact CD-OE1 3.26Å; R135-E151 PolarHBondContact N-O 3.3Å; R135-E151 PolarHBondContact O-N 3.19Å |
| 136 | N | 93 | Very high | 93.6 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.2 | 30.2 | 167.3 | -56.4 | -38 | 0 | 0 | 0 | 114.4 | E151 F534 N535 S536 | N136-E151 HydrophobicContact CB-CB 4.44Å; N136-E151 PolarHBondContact ND2-OE2 2.82Å; N136-F534 HydrophobicContact CB-CD1 4.01Å; N136-F534 HydrophobicContact CB-CE1 3.42Å; N136-F534 VanDerWaalsContact CB-CE1 3.42Å; N136-F534 HydrophobicContact CB-CE2 4.38Å; N136-F534 HydrophobicContact CB-CZ 3.63Å; N136-F534 VanDerWaalsContact CG-CE1 3.44Å; N136-F534 WeakPolarHBondContact ND2-CE1 3.48Å; N136-N535 PolarHBondContact OD1-O 3.32Å; N136-S536 PolarHBondContact OD1-OG 2.62Å; N136-S536 VanDerWaalsContact OD1-OG 3.11Å |
| 137 | L | 95.6 | Very high | 93.6 | Very high | 38 Ų | 38 | 65.3 Ų | 65.3 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125 | -174.2 | 175.1 | 65.2 | 0 | 0 | 0 | 111.8 | F125 L128 K129 I134 R135 I148 F150 | F125-L137 HydrophobicContact CD2-CD1 4.06Å; F125-L137 HydrophobicContact CD2-CD2 4.42Å; F125-L137 HydrophobicContact CD2-CG 4.16Å; F125-L137 HydrophobicContact CE1-CD2 4.4Å; F125-L137 HydrophobicContact CE2-CD1 3.81Å; F125-L137 HydrophobicContact CE2-CD2 4.16Å; F125-L137 HydrophobicContact CE2-CG 3.59Å; F125-L137 HydrophobicContact CZ-CD2 4.14Å; F125-L137 HydrophobicContact CZ-CG 3.8Å; L128-L137 HydrophobicContact CB-CD1 4.24Å; L128-L137 HydrophobicContact CB-CD2 3.91Å; L128-L137 HydrophobicContact CD1-CD1 4.06Å; K129-L137 HydrophobicContact CB-CD2 3.74Å; I134-L137 HydrophobicContact CG2-CB 4.2Å; I134-L137 HydrophobicContact CG2-CD2 4.47Å; R135-L137 PolarHBondContact O-N 2.99Å; L137-I148 HydrophobicContact CD1-CG2 3.45Å; L137-I148 VanDerWaalsContact CD1-CG2 3.45Å; L137-F150 HydrophobicContact CB-CB 4.18Å; L137-F150 HydrophobicContact CD1-CB 3.81Å; L137-F150 HydrophobicContact CD1-CD1 4.32Å; L137-F150 HydrophobicContact CD1-CG 4.23Å |
| 138 | R | 93.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 19% | 0.192 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 141.3 | -174.4 | 54.7 | -170.8 | 173.1 | 117.9 | 13.2 | 111.5 | I148 K149 T532 P533 | R138-I148 WeakPolarHBondContact O-CA 3.2Å; R138-K149 HydrophobicContact CG-CB 3.98Å; R138-K149 VanDerWaalsContact CG-O 3.32Å; R138-K149 WeakPolarHBondContact CG-O 3.46Å; R138-K149 PolarHBondContact N-O 2.82Å; R138-K149 PolarHBondContact O-N 3.42Å; R138-T532 VanDerWaalsContact NH1-C 3.33Å; R138-T532 PolarHBondContact NH1-O 3.01Å; R138-P533 WeakPolarHBondContact CD-O 3.08Å; R138-P533 PolarHBondContact NE-O 2.71Å; R138-P533 VanDerWaalsContact NH1-C 3.34Å; R138-P533 PolarHBondContact NH1-O 3.48Å |
| 139 | A | 92.4 | Very high | 93.6 | Very high | 44 Ų | 44 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | F121 F125 I148 | F121-A139 HydrophobicContact CD1-CB 3.79Å; F121-A139 HydrophobicContact CE1-CB 4.15Å; F125-A139 HydrophobicContact CD2-CB 4.09Å; F125-A139 HydrophobicContact CE2-CB 3.93Å; A139-I148 HydrophobicContact CB-CG1 4.49Å |
| 140 | V | 90.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 79.7 | 175.4 | -165.8 | 0 | 0 | 0 | 0 | 109 | A143 V147 | V140-A143 HydrophobicContact CB-CB 4.45Å; V140-A143 HydrophobicContact CG1-CB 3.85Å; V140-V147 HydrophobicContact CB-CG1 4.05Å; V140-V147 HydrophobicContact CG2-CG1 4.45Å; V140-V147 PolarHBondContact N-O 3.21Å; V140-V147 PolarHBondContact O-N 2.94Å |
| 141 | E | 92.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 52 Ų | 52 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -28.6 | -172.1 | -69.6 | -156.9 | -117.8 | 0 | 0 | 114.8 | F121 R187 | F121-E141 HydrophobicContact CB-CG 4.14Å; F121-E141 HydrophobicContact CD1-CG 3.66Å; F121-E141 HydrophobicContact CD2-CG 3.71Å; F121-E141 WeakPolarHBondContact CD2-OE2 3.32Å; F121-E141 HydrophobicContact CE1-CG 3.92Å; F121-E141 HydrophobicContact CE2-CG 3.99Å; F121-E141 HydrophobicContact CG-CG 3.55Å; F121-E141 HydrophobicContact CZ-CG 4.1Å; E141-R187 PolarHBondContact O-NH1 2.83Å |
| 142 | D | 85.5 | Confident | 93.9 | Very high | 146 Ų | 146 | 49.3 Ų | 49.3 | 78% | 0.781 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 8.5 | -177.3 | -76.5 | -42.1 | 0 | 0 | 0 | 114.5 | R187 | D142-R187 IonicContact OD1-NH2 3.28Å; D142-R187 PolarHBondContact OD1-NH2 2.84Å; D142-R187 VanDerWaalsContact OD1-NH2 3.08Å |
| 143 | A | 86.9 | Confident | 93.9 | Very high | 19 Ų | 19 | 45 Ų | 45 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -61.9 | 157.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | V140 V145 | V140-A143 HydrophobicContact CB-CB 4.45Å; V140-A143 HydrophobicContact CG1-CB 3.85Å; A143-V145 VanDerWaalsContact CB-O 3.23Å; A143-V145 WeakPolarHBondContact CB-O 3.39Å; A143-V145 PolarHBondContact O-N 3.19Å |
| 144 | F | 87.1 | Confident | 94 | Very high | 126 Ų | 126 | 46.3 Ų | 46.3 | 55% | 0.553 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -55.7 | -35.7 | 177.2 | 178.8 | -95.6 | 0 | 0 | 0 | 112.2 | R190 | F144-R190 HydrophobicContact CE1-CG 4.08Å; F144-R190 HydrophobicContact CZ-CG 4.36Å; F144-R190 WeakPolarHBondContact O-CD 3.18Å; F144-R190 PolarHBondContact O-NH1 3.39Å |
| 145 | V | 93.4 | Very high | 93.9 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -118.5 | 116.4 | 161.4 | -163.3 | 0 | 0 | 0 | 0 | 107 | A143 V160 R190 S191 | A143-V145 VanDerWaalsContact CB-O 3.23Å; A143-V145 WeakPolarHBondContact CB-O 3.39Å; A143-V145 PolarHBondContact O-N 3.19Å; V145-V160 HydrophobicContact CB-CG1 4.45Å; V145-V160 HydrophobicContact CG1-CB 4.15Å; V145-V160 HydrophobicContact CG1-CG1 3.7Å; V145-R190 HydrophobicContact CG1-CB 4.47Å; V145-R190 HydrophobicContact CG2-CB 4.01Å; V145-S191 WeakPolarHBondContact CG1-OG 3.11Å |
| 146 | P | 95.3 | Very high | 94 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | trans | -65.3 | 134.7 | 178 | -21 | 32.1 | 0 | 0 | 0 | 111.8 | F121 R187 | F121-P146 HydrophobicContact CE2-CB 3.7Å; F121-P146 HydrophobicContact CZ-CB 3.55Å; P146-R187 HydrophobicContact CG-CB 4.14Å; P146-R187 HydrophobicContact CG-CG 4.02Å | ||
| 147 | V | 96.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142.8 | -169.8 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | V140 K149 D158 V160 | V140-V147 HydrophobicContact CB-CG1 4.05Å; V140-V147 HydrophobicContact CG2-CG1 4.45Å; V140-V147 PolarHBondContact N-O 3.21Å; V140-V147 PolarHBondContact O-N 2.94Å; V147-K149 HydrophobicContact CG1-CD 4.35Å; V147-K149 VanDerWaalsContact CG1-CE 3.5Å; V147-K149 HydrophobicContact CG1-CG 4.01Å; V147-K149 HydrophobicContact CG2-CG 3.87Å; V147-D158 HydrophobicContact CG2-CB 4.18Å; V147-V160 HydrophobicContact CB-CG1 3.86Å; V147-V160 HydrophobicContact CG2-CG1 3.93Å |
| 148 | I | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.7 | 161.4 | -61.8 | 175.7 | 0 | 0 | 0 | 106.7 | F120 F121 F125 L128 L137 R138 A139 F150 L159 | F120-I148 HydrophobicContact CD1-CD1 3.89Å; F120-I148 HydrophobicContact CD1-CG1 4.31Å; F120-I148 HydrophobicContact CD2-CD1 4.45Å; F120-I148 HydrophobicContact CE1-CB 4.39Å; F120-I148 HydrophobicContact CE1-CD1 3.49Å; F120-I148 VanDerWaalsContact CE1-CD1 3.49Å; F120-I148 HydrophobicContact CE1-CG1 3.59Å; F120-I148 HydrophobicContact CE2-CD1 4.08Å; F120-I148 HydrophobicContact CG-CD1 4.36Å; F120-I148 HydrophobicContact CZ-CB 4.29Å; F120-I148 HydrophobicContact CZ-CD1 3.6Å; F120-I148 HydrophobicContact CZ-CG1 3.88Å; F120-I148 WeakPolarHBondContact O-CD1 3.5Å; F121-I148 HydrophobicContact CD1-CD1 4.01Å; F121-I148 HydrophobicContact CD1-CG1 3.65Å; F121-I148 HydrophobicContact CE1-CD1 4.25Å; F121-I148 HydrophobicContact CE1-CG1 3.48Å; F121-I148 VanDerWaalsContact CE1-CG1 3.48Å; F125-I148 HydrophobicContact CB-CD1 4.28Å; F125-I148 HydrophobicContact CD2-CD1 4.13Å; F125-I148 HydrophobicContact CD2-CG1 4.37Å; F125-I148 HydrophobicContact CD2-CG2 4.1Å; F125-I148 HydrophobicContact CE2-CG2 4.4Å; L128-I148 HydrophobicContact CD1-CG2 4.09Å; L137-I148 HydrophobicContact CD1-CG2 3.45Å; L137-I148 VanDerWaalsContact CD1-CG2 3.45Å; R138-I148 WeakPolarHBondContact O-CA 3.2Å; A139-I148 HydrophobicContact CB-CG1 4.49Å; I148-F150 HydrophobicContact CG2-CD1 4.07Å; I148-L159 PolarHBondContact N-O 3.4Å; I148-L159 PolarHBondContact O-N 2.97Å |
| 149 | K | 97.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.022 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.5 | 178.1 | -49.8 | -166.9 | 172.3 | -138.2 | 0 | 108.9 | R138 V147 I157 D158 S530 | R138-K149 HydrophobicContact CG-CB 3.98Å; R138-K149 VanDerWaalsContact CG-O 3.32Å; R138-K149 WeakPolarHBondContact CG-O 3.46Å; R138-K149 PolarHBondContact N-O 2.82Å; R138-K149 PolarHBondContact O-N 3.42Å; V147-K149 HydrophobicContact CG1-CD 4.35Å; V147-K149 VanDerWaalsContact CG1-CE 3.5Å; V147-K149 HydrophobicContact CG1-CG 4.01Å; V147-K149 HydrophobicContact CG2-CG 3.87Å; K149-I157 WeakPolarHBondContact CA-O 3.26Å; K149-D158 WeakPolarHBondContact CD-OD1 3.31Å; K149-D158 WeakPolarHBondContact CE-OD2 3.23Å; K149-D158 WeakPolarHBondContact CG-OD1 3.3Å; K149-D158 IonicContact NZ-OD1 2.71Å; K149-D158 IonicContact NZ-OD2 3.35Å; K149-D158 PolarHBondContact NZ-OD2 3.24Å; K149-S530 PolarHBondContact NZ-O 3.42Å |
| 150 | F | 97.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 169.7 | 179.9 | 58.8 | -75.5 | 0 | 0 | 0 | 111.2 | L59 L128 I134 L137 I148 F152 I157 L159 | L59-F150 HydrophobicContact CD1-CE2 4.01Å; L59-F150 HydrophobicContact CD1-CZ 3.62Å; L59-F150 HydrophobicContact CD2-CZ 3.79Å; L59-F150 HydrophobicContact CG-CZ 4.37Å; L128-F150 HydrophobicContact CD1-CE1 4.33Å; L128-F150 HydrophobicContact CD2-CZ 4.41Å; I134-F150 HydrophobicContact CD1-CD2 3.92Å; I134-F150 HydrophobicContact CD1-CE2 3.82Å; I134-F150 HydrophobicContact CG1-CD2 4.16Å; I134-F150 HydrophobicContact CG1-CE2 4.36Å; I134-F150 HydrophobicContact CG2-CB 4.27Å; I134-F150 HydrophobicContact CG2-CD2 4.04Å; I134-F150 HydrophobicContact CG2-CG 4.49Å; L137-F150 HydrophobicContact CB-CB 4.18Å; L137-F150 HydrophobicContact CD1-CB 3.81Å; L137-F150 HydrophobicContact CD1-CD1 4.32Å; L137-F150 HydrophobicContact CD1-CG 4.23Å; I148-F150 HydrophobicContact CG2-CD1 4.07Å; F150-F152 HydrophobicContact CD2-CB 4.07Å; F150-F152 HydrophobicContact CE2-CB 3.89Å; F150-F152 HydrophobicContact CE2-CD1 4.11Å; F150-F152 HydrophobicContact CE2-CG 4.35Å; F150-I157 HydrophobicContact CD1-CB 4.48Å; F150-I157 HydrophobicContact CE1-CB 4.13Å; F150-I157 HydrophobicContact CE1-CG2 3.95Å; F150-I157 HydrophobicContact CE2-CB 4.23Å; F150-I157 HydrophobicContact CE2-CD1 4.06Å; F150-I157 HydrophobicContact CZ-CB 3.98Å; F150-I157 HydrophobicContact CZ-CD1 4.24Å; F150-I157 HydrophobicContact CZ-CG2 3.84Å; F150-I157 PolarHBondContact N-O 3.18Å; F150-I157 PolarHBondContact O-N 3.36Å; F150-L159 HydrophobicContact CE1-CB 3.91Å; F150-L159 HydrophobicContact CE1-CD2 4.27Å |
| 151 | E | 97.8 | Very high | 95.3 | Very high | 36 Ų | 36 | 32 Ų | 32 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.2 | 167.8 | 175.3 | -166.3 | 140.5 | 0 | 0 | 107.7 | I134 R135 N136 I155 | I134-E151 CarbonylContact C-O 3.34Å; I134-E151 WeakPolarHBondContact CA-O 3.37Å; R135-E151 HydrophobicContact CB-CB 4.13Å; R135-E151 HydrophobicContact CB-CG 4.41Å; R135-E151 WeakPolarHBondContact CD-OE1 3.26Å; R135-E151 PolarHBondContact N-O 3.3Å; R135-E151 PolarHBondContact O-N 3.19Å; N136-E151 HydrophobicContact CB-CB 4.44Å; N136-E151 PolarHBondContact ND2-OE2 2.82Å; E151-I155 CarbonylContact C-O 3.48Å; E151-I155 VanDerWaalsContact CA-O 3.29Å; E151-I155 WeakPolarHBondContact CA-O 3.47Å |
| 152 | F | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 118.8 | 174.4 | -164.5 | 178.9 | 0 | 0 | 0 | 109 | V55 K58 L59 L62 Q131 G133 I134 F150 G154 I155 I157 | V55-F152 HydrophobicContact CG1-CB 3.84Å; V55-F152 HydrophobicContact CG1-CD1 3.67Å; V55-F152 HydrophobicContact CG1-CE1 4.41Å; V55-F152 HydrophobicContact CG1-CG 3.78Å; K58-F152 HydrophobicContact CB-CE1 3.88Å; K58-F152 HydrophobicContact CB-CZ 3.78Å; K58-F152 HydrophobicContact CD-CE1 4.47Å; K58-F152 HydrophobicContact CD-CE2 4.09Å; K58-F152 HydrophobicContact CD-CZ 3.76Å; K58-F152 HydrophobicContact CG-CZ 4.44Å; L59-F152 HydrophobicContact CB-CD1 4.33Å; L59-F152 HydrophobicContact CB-CE1 4.12Å; L59-F152 HydrophobicContact CD1-CD1 4.24Å; L59-F152 HydrophobicContact CD1-CE1 4.21Å; L62-F152 HydrophobicContact CD1-CE1 4.18Å; L62-F152 HydrophobicContact CD1-CZ 4.24Å; Q131-F152 HydrophobicContact CG-CE2 4.23Å; Q131-F152 HydrophobicContact CG-CZ 4.02Å; G133-F152 WeakPolarHBondContact O-CA 3.34Å; I134-F152 HydrophobicContact CD1-CD1 4.31Å; I134-F152 HydrophobicContact CD1-CE1 4.45Å; I134-F152 HydrophobicContact CD1-CG 4.36Å; I134-F152 HydrophobicContact CG1-CB 4.25Å; I134-F152 HydrophobicContact CG1-CD1 4.24Å; I134-F152 HydrophobicContact CG1-CD2 3.68Å; I134-F152 HydrophobicContact CG1-CE2 4.01Å; I134-F152 HydrophobicContact CG1-CG 3.8Å; I134-F152 HydrophobicContact CG1-CZ 4.42Å; F150-F152 HydrophobicContact CD2-CB 4.07Å; F150-F152 HydrophobicContact CE2-CB 3.89Å; F150-F152 HydrophobicContact CE2-CD1 4.11Å; F150-F152 HydrophobicContact CE2-CG 4.35Å; F152-G154 PolarHBondContact O-N 2.78Å; F152-G154 VanDerWaalsContact O-N 3.07Å; F152-I155 PolarHBondContact N-O 3.09Å; F152-I155 PolarHBondContact O-N 3.07Å; F152-I157 HydrophobicContact CB-CD1 3.87Å; F152-I157 HydrophobicContact CD1-CD1 4.4Å |
| 153 | D | 96 | Very high | 96 | Very high | 53 Ų | 53 | 24.4 Ų | 24.4 | 28% | 0.283 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 26.1 | -174.5 | -58.4 | -35.2 | 0 | 0 | 0 | 113.8 | H51 V55 K58 G133 | H51-D153 PolarHBondContact CE1-O 3.26Å; H51-D153 VanDerWaalsContact CE1-O 3.26Å; V55-D153 HydrophobicContact CG2-CB 3.92Å; K58-D153 IonicContact NZ-OD1 3.81Å; K58-D153 IonicContact NZ-OD2 3.41Å; K58-D153 PolarHBondContact NZ-OD2 3.25Å; G133-D153 WeakPolarHBondContact CA-OD1 3.1Å; G133-D153 PolarHBondContact O-N 2.91Å |
| 154 | G | 94.6 | Very high | 96.4 | Very high | 55 Ų | 55 | 23.6 Ų | 23.6 | 57% | 0.567 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | 5.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | F152 | F152-G154 PolarHBondContact O-N 2.78Å; F152-G154 VanDerWaalsContact O-N 3.07Å |
| 155 | I | 96 | Very high | 96.8 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.6 | 175 | -68.4 | 155.9 | 0 | 0 | 0 | 110.1 | R52 V55 I105 E151 F152 I157 | R52-I155 HydrophobicContact CB-CD1 4.33Å; R52-I155 HydrophobicContact CG-CD1 3.69Å; R52-I155 HydrophobicContact CG-CG1 4.38Å; V55-I155 HydrophobicContact CB-CD1 4.28Å; V55-I155 HydrophobicContact CG2-CD1 3.97Å; I105-I155 HydrophobicContact CD1-CG2 3.74Å; I105-I155 HydrophobicContact CG1-CG2 3.88Å; E151-I155 CarbonylContact C-O 3.48Å; E151-I155 VanDerWaalsContact CA-O 3.29Å; E151-I155 WeakPolarHBondContact CA-O 3.47Å; F152-I155 PolarHBondContact N-O 3.09Å; F152-I155 PolarHBondContact O-N 3.07Å; I155-I157 HydrophobicContact CG2-CG1 4.15Å |
| 156 | E | 97.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 21 Ų | 21 | 24% | 0.243 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 129.1 | 169.7 | -67.2 | -166.1 | 150.5 | 0 | 0 | 110.5 | D104 I105 R526 F534 | D104-E156 CarbonylContact C-O 3.49Å; D104-E156 WeakPolarHBondContact CA-O 3.46Å; D104-E156 HydrophobicContact CB-CB 4.17Å; I105-E156 PolarHBondContact N-O 3.01Å; E156-R526 IonicContact OE1-CZ 3.56Å; E156-R526 IonicContact OE1-NH2 2.96Å; E156-R526 PolarHBondContact OE1-NH2 3.38Å; E156-R526 IonicContact OE2-NE 2.84Å; E156-R526 IonicContact OE2-NH2 2.91Å; E156-F534 HydrophobicContact CG-CZ 4.46Å; E156-F534 WeakPolarHBondContact OE1-CE2 3.21Å; E156-F534 WeakPolarHBondContact OE1-CZ 3.48Å |
| 157 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.4 | 179.2 | -57.3 | -177.8 | 0 | 0 | 0 | 109.6 | V55 L59 I105 A107 K149 F150 F152 I155 L159 | V55-I157 HydrophobicContact CG1-CD1 3.84Å; L59-I157 HydrophobicContact CD2-CD1 4.1Å; L59-I157 HydrophobicContact CD2-CG2 4.12Å; I105-I157 HydrophobicContact CB-CG1 4.5Å; A107-I157 HydrophobicContact CB-CG2 4.17Å; K149-I157 WeakPolarHBondContact CA-O 3.26Å; F150-I157 HydrophobicContact CD1-CB 4.48Å; F150-I157 HydrophobicContact CE1-CB 4.13Å; F150-I157 HydrophobicContact CE1-CG2 3.95Å; F150-I157 HydrophobicContact CE2-CB 4.23Å; F150-I157 HydrophobicContact CE2-CD1 4.06Å; F150-I157 HydrophobicContact CZ-CB 3.98Å; F150-I157 HydrophobicContact CZ-CD1 4.24Å; F150-I157 HydrophobicContact CZ-CG2 3.84Å; F150-I157 PolarHBondContact N-O 3.18Å; F150-I157 PolarHBondContact O-N 3.36Å; F152-I157 HydrophobicContact CB-CD1 3.87Å; F152-I157 HydrophobicContact CD1-CD1 4.4Å; I155-I157 HydrophobicContact CG2-CG1 4.15Å; I157-L159 HydrophobicContact CG2-CB 4.44Å |
| 158 | D | 98 | Very high | 96.4 | Very high | 21 Ų | 21 | 29 Ų | 29 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 98.2 | 174 | -99.2 | 27.6 | 0 | 0 | 0 | 108.7 | I105 A107 V147 K149 | I105-D158 PolarHBondContact O-N 2.8Å; I105-D158 VanDerWaalsContact O-N 3.08Å; A107-D158 PolarHBondContact N-O 3.2Å; V147-D158 HydrophobicContact CG2-CB 4.18Å; K149-D158 WeakPolarHBondContact CD-OD1 3.31Å; K149-D158 WeakPolarHBondContact CE-OD2 3.23Å; K149-D158 WeakPolarHBondContact CG-OD1 3.3Å; K149-D158 IonicContact NZ-OD1 2.71Å; K149-D158 IonicContact NZ-OD2 3.35Å; K149-D158 PolarHBondContact NZ-OD2 3.24Å |
| 159 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 107 | -174.6 | -172 | 68.1 | 0 | 0 | 0 | 111.7 | A107 C109 F120 F124 I148 F150 I157 | A107-L159 HydrophobicContact CB-CD1 3.61Å; A107-L159 CarbonylContact O-C 3.39Å; A107-L159 WeakPolarHBondContact O-CA 3.39Å; C109-L159 HydrophobicContact CB-CD1 4.1Å; C109-L159 HydrophobicContact CB-CG 4.37Å; F120-L159 HydrophobicContact CE2-CD2 3.92Å; F120-L159 HydrophobicContact CE2-CG 4.21Å; F120-L159 HydrophobicContact CZ-CD2 4.09Å; F120-L159 HydrophobicContact CZ-CG 4.02Å; F124-L159 HydrophobicContact CD1-CD2 4.42Å; F124-L159 HydrophobicContact CE1-CD2 3.61Å; F124-L159 HydrophobicContact CZ-CD2 4.5Å; I148-L159 PolarHBondContact N-O 3.4Å; I148-L159 PolarHBondContact O-N 2.97Å; F150-L159 HydrophobicContact CE1-CB 3.91Å; F150-L159 HydrophobicContact CE1-CD2 4.27Å; I157-L159 HydrophobicContact CG2-CB 4.44Å |
| 160 | V | 98.2 | Very high | 96 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 162 | 171.1 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | F91 A107 L108 C109 V145 V147 | F91-V160 HydrophobicContact CE1-CG2 3.67Å; F91-V160 HydrophobicContact CZ-CG2 3.84Å; A107-V160 VanDerWaalsContact O-CG2 3.3Å; A107-V160 WeakPolarHBondContact O-CG2 3.32Å; A107-V160 PolarHBondContact O-N 3.31Å; L108-V160 WeakPolarHBondContact CA-O 3.48Å; L108-V160 HydrophobicContact CB-CG2 4.17Å; L108-V160 HydrophobicContact CD1-CG2 3.74Å; C109-V160 PolarHBondContact N-O 2.98Å; V145-V160 HydrophobicContact CB-CG1 4.45Å; V145-V160 HydrophobicContact CG1-CB 4.15Å; V145-V160 HydrophobicContact CG1-CG1 3.7Å; V147-V160 HydrophobicContact CB-CG1 3.86Å; V147-V160 HydrophobicContact CG2-CG1 3.93Å |
| 161 | F | 98.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.6 | -175.3 | 175.5 | -99.8 | 0 | 0 | 0 | 113.4 | W66 C109 A111 V115 R117 F120 R163 S191 | W66-F161 HydrophobicContact CH2-CD2 4.49Å; W66-F161 AromaticContact CH2-CE2 3.85Å; W66-F161 HydrophobicContact CH2-CE2 3.85Å; W66-F161 HydrophobicContact CZ3-CE2 4.21Å; C109-F161 HydrophobicContact CB-CD2 4.24Å; A111-F161 HydrophobicContact CB-CE2 3.52Å; A111-F161 HydrophobicContact CB-CZ 3.93Å; V115-F161 HydrophobicContact CG1-CE2 4.28Å; V115-F161 HydrophobicContact CG1-CZ 4.18Å; R117-F161 HydrophobicContact CB-CD1 4.16Å; R117-F161 HydrophobicContact CB-CE1 4.08Å; R117-F161 HydrophobicContact CG-CD1 4.33Å; F120-F161 HydrophobicContact CB-CB 4.41Å; F120-F161 HydrophobicContact CB-CD1 4.27Å; F120-F161 HydrophobicContact CB-CD2 3.79Å; F120-F161 HydrophobicContact CB-CE1 4.5Å; F120-F161 HydrophobicContact CB-CE2 4.03Å; F120-F161 HydrophobicContact CB-CG 3.91Å; F120-F161 HydrophobicContact CB-CZ 4.38Å; F120-F161 HydrophobicContact CD1-CB 3.52Å; F120-F161 HydrophobicContact CD1-CD2 4.36Å; F120-F161 AromaticContact CD1-CG 3.98Å; F120-F161 HydrophobicContact CD1-CG 3.98Å; F120-F161 HydrophobicContact CD2-CB 3.99Å; F120-F161 AromaticContact CD2-CD2 3.57Å; F120-F161 HydrophobicContact CD2-CD2 3.57Å; F120-F161 HydrophobicContact CD2-CE2 4.34Å; F120-F161 HydrophobicContact CD2-CG 4.02Å; F120-F161 HydrophobicContact CE1-CB 3.6Å; F120-F161 HydrophobicContact CE1-CG 4.49Å; F120-F161 HydrophobicContact CE2-CB 4.07Å; F120-F161 HydrophobicContact CE2-CD2 4.21Å; F120-F161 HydrophobicContact CG-CB 3.71Å; F120-F161 HydrophobicContact CG-CD1 4.47Å; F120-F161 AromaticContact CG-CD2 3.65Å; F120-F161 HydrophobicContact CG-CD2 3.65Å; F120-F161 HydrophobicContact CG-CE2 4.36Å; F120-F161 AromaticContact CG-CG 3.7Å; F120-F161 HydrophobicContact CG-CG 3.7Å; F120-F161 HydrophobicContact CZ-CB 3.88Å; F161-R163 HydrophobicContact CE1-CB 3.88Å; F161-R163 HydrophobicContact CZ-CB 4Å; F161-S191 VanDerWaalsContact O-CB 3.27Å; F161-S191 WeakPolarHBondContact O-CB 3.48Å; F161-S191 PolarHBondContact O-OG 3.3Å |
| 162 | A | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 121.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L108 C109 V110 A111 L192 | L108-A162 HydrophobicContact CD1-CB 3.85Å; C109-A162 PolarHBondContact O-N 3.08Å; V110-A162 WeakPolarHBondContact CA-O 3.36Å; A111-A162 PolarHBondContact N-O 3.31Å; A162-L192 HydrophobicContact CB-CD1 4.09Å; A162-L192 HydrophobicContact CB-CD2 3.98Å; A162-L192 HydrophobicContact CB-CG 3.66Å |
| 163 | R | 96.1 | Very high | 94.9 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.3 | 167.6 | -178.4 | -172.6 | 73.5 | 97.3 | 4.2 | 109.6 | A111 R113 V115 F161 L184 C188 | A111-R163 WeakPolarHBondContact O-CA 3.46Å; R113-R163 WeakPolarHBondContact O-CD 3.32Å; R113-R163 PolarHBondContact O-NH1 3.16Å; V115-R163 WeakPolarHBondContact O-CD 2.94Å; V115-R163 WeakPolarHBondContact O-CG 3.24Å; F161-R163 HydrophobicContact CE1-CB 3.88Å; F161-R163 HydrophobicContact CZ-CB 4Å; R163-L184 WeakPolarHBondContact O-CD2 3.29Å; R163-C188 PolarHBondContact N-SG 3.39Å |
| 164 | L | 95.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | -95.1 | 153.7 | 177 | -66.7 | -177 | 0 | 0 | 0 | 112.3 | V110 A111 R113 I166 I169 L173 L175 R180 L184 L192 | V110-L164 HydrophobicContact CG1-CD1 3.54Å; V110-L164 HydrophobicContact CG1-CG 3.91Å; A111-L164 PolarHBondContact O-N 3.27Å; R113-L164 WeakPolarHBondContact CA-O 3.49Å; R113-L164 WeakPolarHBondContact CB-O 3.43Å; R113-L164 PolarHBondContact N-O 2.94Å; L164-I166 HydrophobicContact CB-CD1 4.28Å; L164-I166 HydrophobicContact CB-CG1 3.89Å; L164-I166 HydrophobicContact CD1-CD1 4.11Å; L164-I166 PolarHBondContact O-N 3.43Å; L164-I169 HydrophobicContact CB-CD1 4.42Å; L164-I169 HydrophobicContact CD1-CD1 4.3Å; L164-L173 HydrophobicContact CD1-CD2 3.71Å; L164-L175 HydrophobicContact CD1-CD2 4.2Å; L164-R180 HydrophobicContact CD2-CB 4.47Å; L164-L184 HydrophobicContact CD2-CD1 3.92Å; L164-L192 HydrophobicContact CD2-CD1 3.77Å; L164-L192 HydrophobicContact CD2-CD2 4.11Å | ||
| 165 | A | 93.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 41 Ų | 41 | 50% | 0.504 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -76.5 | 30.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L184 | A165-L184 HydrophobicContact CB-CD2 4.25Š|
| 166 | I | 92.7 | Very high | 94.2 | Very high | 46 Ų | 46 | 44 Ų | 44 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -123.9 | 158.1 | -175.8 | 60.5 | -177.4 | 0 | 0 | 0 | 111.6 | R113 L164 T168 I169 | R113-I166 WeakPolarHBondContact CB-O 3.44Å; R113-I166 WeakPolarHBondContact CG-O 3.47Å; R113-I166 PolarHBondContact N-O 3.36Å; L164-I166 HydrophobicContact CB-CD1 4.28Å; L164-I166 HydrophobicContact CB-CG1 3.89Å; L164-I166 HydrophobicContact CD1-CD1 4.11Å; L164-I166 PolarHBondContact O-N 3.43Å; I166-T168 WeakPolarHBondContact CD1-O 3.31Å; I166-I169 HydrophobicContact CD1-CD1 3.77Å; I166-I169 HydrophobicContact CG1-CD1 3.8Å |
| 167 | Q | 91.9 | Very high | 93.7 | Very high | 112 Ų | 112 | 44.2 Ų | 44.2 | 52% | 0.523 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -79.2 | -34.4 | -173.5 | -57.7 | -168.8 | 24.5 | 0 | 0 | 113.4 | P112 | P112-Q167 WeakPolarHBondContact CB-O 3.42Š|
| 168 | T | 93.6 | Very high | 93.3 | Very high | 62 Ų | 62 | 46 Ų | 46 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | trans | -135.2 | 150.9 | -176.6 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | T83 V84 I166 | T83-T168 WeakPolarHBondContact O-CB 3.35Å; T83-T168 VanDerWaalsContact O-CG2 3.31Å; T83-T168 WeakPolarHBondContact O-CG2 3.31Å; V84-T168 CarbonylContact O-C 3.54Å; V84-T168 VanDerWaalsContact O-CA 3.31Å; V84-T168 WeakPolarHBondContact O-CA 3.41Å; I166-T168 WeakPolarHBondContact CD1-O 3.31Å | ||
| 169 | I | 95.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -111.7 | 104.1 | -179.9 | -55.6 | -56.9 | 0 | 0 | 0 | 108.9 | V84 K87 V110 P112 L164 I166 L173 | V84-I169 PolarHBondContact O-N 3Å; K87-I169 HydrophobicContact CB-CG2 4.04Å; V110-I169 HydrophobicContact CG1-CD1 4.12Å; V110-I169 HydrophobicContact CG1-CG2 4.24Å; P112-I169 HydrophobicContact CB-CG1 4.24Å; L164-I169 HydrophobicContact CB-CD1 4.42Å; L164-I169 HydrophobicContact CD1-CD1 4.3Å; I166-I169 HydrophobicContact CD1-CD1 3.77Å; I166-I169 HydrophobicContact CG1-CD1 3.8Å; I169-L173 HydrophobicContact CG2-CD2 4.06Å |
| 170 | S | 91.6 | Very high | 92.5 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 49% | 0.49 | 28% | 0.279 | S | S | . | . | trans | -72.9 | 142.8 | 177 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | N172 L173 | S170-N172 PolarHBondContact O-N 2.95Å; S170-N172 VanDerWaalsContact O-N 3.14Å; S170-N172 PolarHBondContact OG-N 2.95Å; S170-L173 WeakPolarHBondContact O-CB 3.42Å; S170-L173 PolarHBondContact O-N 2.88Å | ||
| 171 | D | 88.4 | Confident | 92.2 | Very high | 81 Ų | 81 | 52 Ų | 52 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23 | 171.7 | -76.1 | -54.3 | 0 | 0 | 0 | 113.3 | K64 K87 | K64-D171 WeakPolarHBondContact CE-OD1 3.5Å; K64-D171 IonicContact NZ-OD1 2.64Å; K64-D171 PolarHBondContact NZ-OD1 2.81Å; K64-D171 IonicContact NZ-OD2 2.68Å; K64-D171 PolarHBondContact NZ-OD2 2.8Å; K87-D171 PolarHBondContact NZ-O 3.01Å |
| 172 | N | 89.6 | Confident | 91.8 | Very high | 154 Ų | 154 | 60 Ų | 60 | 82% | 0.824 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 14 | 176.7 | -68.5 | -32.7 | 0 | 0 | 0 | 114.1 | S170 D174 | S170-N172 PolarHBondContact O-N 2.95Å; S170-N172 VanDerWaalsContact O-N 3.14Å; S170-N172 PolarHBondContact OG-N 2.95Å; N172-D174 PolarHBondContact O-N 3.47Å |
| 173 | L | 90.9 | Very high | 91.3 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | trans | -62.9 | 126.2 | 178.8 | 174.7 | 66.1 | 0 | 0 | 0 | 112.3 | F89 V110 L164 I169 S170 L175 | F89-L173 WeakPolarHBondContact CE1-O 3.29Å; F89-L173 HydrophobicContact CZ-CB 4.2Å; F89-L173 HydrophobicContact CZ-CD2 4.27Å; F89-L173 HydrophobicContact CZ-CG 4.27Å; F89-L173 WeakPolarHBondContact CZ-O 3.4Å; V110-L173 HydrophobicContact CG1-CD2 4.05Å; L164-L173 HydrophobicContact CD1-CD2 3.71Å; I169-L173 HydrophobicContact CG2-CD2 4.06Å; S170-L173 WeakPolarHBondContact O-CB 3.42Å; S170-L173 PolarHBondContact O-N 2.88Å; L173-L175 HydrophobicContact CD2-CD2 3.81Å; L173-L175 HydrophobicContact CG-CD2 4.02Å | ||
| 174 | D | 90.2 | Very high | 91.2 | Very high | 67 Ų | 67 | 62.7 Ų | 62.7 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | trans | -95.1 | 134.9 | 165.4 | -167.2 | -23.3 | 0 | 0 | 0 | 109.7 | N172 R176 | N172-D174 PolarHBondContact O-N 3.47Å; D174-R176 WeakPolarHBondContact OD1-CB 3.43Å; D174-R176 VanDerWaalsContact OD1-CG 3.29Å; D174-R176 WeakPolarHBondContact OD1-CG 3.38Å; D174-R176 PolarHBondContact OD1-N 3.03Å; D174-R176 IonicContact OD1-NE 3.03Å; D174-R176 PolarHBondContact OD1-NE 2.83Å; D174-R176 VanDerWaalsContact OD1-NE 3.12Å; D174-R176 IonicContact OD2-CZ 3.81Å; D174-R176 VanDerWaalsContact OD2-CZ 3.3Å; D174-R176 IonicContact OD2-NE 3.85Å; D174-R176 PolarHBondContact OD2-NE 3.48Å; D174-R176 IonicContact OD2-NH2 2.68Å; D174-R176 PolarHBondContact OD2-NH2 3.38Å | ||
| 175 | L | 92.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -96.3 | -9.2 | -178.2 | -60.5 | 178.5 | 0 | 0 | 0 | 113.5 | F89 L108 V110 L164 L173 D177 L192 C195 R196 | F89-L175 HydrophobicContact CB-CD1 4.23Å; F89-L175 HydrophobicContact CD1-CD1 3.68Å; F89-L175 HydrophobicContact CD1-CG 4.19Å; F89-L175 HydrophobicContact CD2-CD1 3.9Å; F89-L175 HydrophobicContact CE1-CD1 3.88Å; F89-L175 HydrophobicContact CE1-CG 3.87Å; F89-L175 HydrophobicContact CE2-CD1 4.09Å; F89-L175 HydrophobicContact CE2-CD2 4.38Å; F89-L175 HydrophobicContact CE2-CG 4.36Å; F89-L175 HydrophobicContact CG-CD1 3.69Å; F89-L175 HydrophobicContact CZ-CD1 4.07Å; F89-L175 HydrophobicContact CZ-CD2 4.19Å; F89-L175 HydrophobicContact CZ-CG 3.96Å; L108-L175 HydrophobicContact CD2-CD1 3.97Å; V110-L175 HydrophobicContact CG2-CD1 4.23Å; V110-L175 HydrophobicContact CG2-CD2 4.4Å; L164-L175 HydrophobicContact CD1-CD2 4.2Å; L173-L175 HydrophobicContact CD2-CD2 3.81Å; L173-L175 HydrophobicContact CG-CD2 4.02Å; L175-D177 VanDerWaalsContact C-N 3.33Å; L175-L192 HydrophobicContact CD1-CD2 4.21Å; L175-L192 HydrophobicContact CD2-CD2 4.03Å; L175-C195 HydrophobicContact CD1-CB 3.92Å; L175-R196 HydrophobicContact CB-CG 4.32Å; L175-R196 WeakPolarHBondContact O-CD 3.39Å; L175-R196 VanDerWaalsContact O-CG 3.23Å; L175-R196 WeakPolarHBondContact O-CG 3.37Å; L175-R196 PolarHBondContact O-NH1 3.21Å |
| 176 | R | 89.1 | Confident | 90.8 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -73.9 | -23.5 | -175.8 | -60.8 | 176.4 | -59.8 | 143.7 | -0.7 | 113.3 | D174 D178 R196 D199 E200 H203 | D174-R176 WeakPolarHBondContact OD1-CB 3.43Å; D174-R176 VanDerWaalsContact OD1-CG 3.29Å; D174-R176 WeakPolarHBondContact OD1-CG 3.38Å; D174-R176 PolarHBondContact OD1-N 3.03Å; D174-R176 IonicContact OD1-NE 3.03Å; D174-R176 PolarHBondContact OD1-NE 2.83Å; D174-R176 VanDerWaalsContact OD1-NE 3.12Å; D174-R176 IonicContact OD2-CZ 3.81Å; D174-R176 VanDerWaalsContact OD2-CZ 3.3Å; D174-R176 IonicContact OD2-NE 3.85Å; D174-R176 PolarHBondContact OD2-NE 3.48Å; D174-R176 IonicContact OD2-NH2 2.68Å; D174-R176 PolarHBondContact OD2-NH2 3.38Å; R176-D178 PolarHBondContact O-N 3.18Å; R176-R196 PolarHBondContact O-NH1 3.47Å; R176-D199 HydrophobicContact CG-CB 4.43Å; R176-E200 WeakPolarHBondContact CD-OE1 3.07Å; R176-E200 IonicContact NH1-OE1 3.26Å; R176-E200 PolarHBondContact NH1-OE1 2.97Å; R176-H203 PolarHBondContact NH1-ND1 3.4Å | ||
| 177 | D | 88.4 | Confident | 90.9 | Very high | 58 Ų | 58 | 67.2 Ų | 67.2 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | trans | -56.3 | 113 | 171.7 | 167.6 | 14.5 | 0 | 0 | 0 | 111.3 | L175 S179 R180 R196 | L175-D177 VanDerWaalsContact C-N 3.33Å; D177-S179 PolarHBondContact O-N 3.34Å; D177-S179 WeakPolarHBondContact OD1-CB 3.41Å; D177-S179 PolarHBondContact OD1-N 3.47Å; D177-S179 PolarHBondContact OD1-OG 3.23Å; D177-S179 PolarHBondContact OD2-OG 3.08Å; D177-R180 HydrophobicContact CB-CG 4.01Å; D177-R180 WeakPolarHBondContact O-CB 3.35Å; D177-R180 VanDerWaalsContact O-CG 3.26Å; D177-R180 WeakPolarHBondContact O-CG 3.43Å; D177-R180 PolarHBondContact O-N 2.88Å; D177-R180 VanDerWaalsContact O-N 3.13Å; D177-R180 IonicContact OD2-CZ 2.78Å; D177-R180 IonicContact OD2-NE 3.28Å; D177-R180 PolarHBondContact OD2-NE 2.8Å; D177-R180 IonicContact OD2-NH2 2.76Å; D177-R180 PolarHBondContact OD2-NH2 3.3Å; D177-R180 VanDerWaalsContact OD2-NH2 3.14Å; D177-R196 PolarHBondContact O-NH1 3.47Å | ||
| 178 | D | 89.7 | Confident | 91 | Very high | 38 Ų | 38 | 61.9 Ų | 61.9 | 20% | 0.203 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -57 | -28.9 | 178.6 | -97.5 | 32.8 | 0 | 0 | 0 | 113.7 | R176 R180 L181 R196 S284 L286 Y311 | R176-D178 PolarHBondContact O-N 3.18Å; D178-R180 PolarHBondContact O-N 2.87Å; D178-R180 VanDerWaalsContact O-N 3.08Å; D178-L181 WeakPolarHBondContact O-CB 3.31Å; D178-L181 PolarHBondContact O-N 2.96Å; D178-R196 IonicContact OD1-CZ 2.93Å; D178-R196 IonicContact OD1-NH1 2.73Å; D178-R196 IonicContact OD1-NH2 3.07Å; D178-R196 PolarHBondContact OD1-NH2 3.42Å; D178-S284 VanDerWaalsContact OD2-CB 3.31Å; D178-S284 WeakPolarHBondContact OD2-CB 3.43Å; D178-S284 PolarHBondContact OD2-OG 3.15Å; D178-L286 WeakPolarHBondContact O-CD1 3.48Å; D178-Y311 WeakPolarHBondContact OD2-CB 3.27Å; D178-Y311 WeakPolarHBondContact OD2-CD1 3.45Å; D178-Y311 VanDerWaalsContact OD2-CG 3.3Å |
| 179 | S | 88.9 | Confident | 91 | Very high | 70 Ų | 70 | 59.1 Ų | 59.1 | 49% | 0.49 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -61.2 | -23 | 179.4 | 80.2 | 0 | 0 | 0 | 0 | 112.4 | D177 L181 R182 | D177-S179 PolarHBondContact O-N 3.34Å; D177-S179 WeakPolarHBondContact OD1-CB 3.41Å; D177-S179 PolarHBondContact OD1-N 3.47Å; D177-S179 PolarHBondContact OD1-OG 3.23Å; D177-S179 PolarHBondContact OD2-OG 3.08Å; S179-L181 VanDerWaalsContact C-N 3.26Å; S179-L181 PolarHBondContact O-N 3.31Å; S179-R182 VanDerWaalsContact O-CB 3.23Å; S179-R182 WeakPolarHBondContact O-CB 3.46Å; S179-R182 PolarHBondContact O-N 2.79Å |
| 180 | R | 90.1 | Very high | 91 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 30% | 0.302 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -67.8 | -22.2 | 176.1 | -52.9 | -60.4 | 159.7 | 154.7 | -0.1 | 113.5 | L164 D177 D178 R182 L184 | L164-R180 HydrophobicContact CD2-CB 4.47Å; D177-R180 HydrophobicContact CB-CG 4.01Å; D177-R180 WeakPolarHBondContact O-CB 3.35Å; D177-R180 VanDerWaalsContact O-CG 3.26Å; D177-R180 WeakPolarHBondContact O-CG 3.43Å; D177-R180 PolarHBondContact O-N 2.88Å; D177-R180 VanDerWaalsContact O-N 3.13Å; D177-R180 IonicContact OD2-CZ 2.78Å; D177-R180 IonicContact OD2-NE 3.28Å; D177-R180 PolarHBondContact OD2-NE 2.8Å; D177-R180 IonicContact OD2-NH2 2.76Å; D177-R180 PolarHBondContact OD2-NH2 3.3Å; D177-R180 VanDerWaalsContact OD2-NH2 3.14Å; D178-R180 PolarHBondContact O-N 2.87Å; D178-R180 VanDerWaalsContact O-N 3.08Å; R180-R182 VanDerWaalsContact C-N 3.3Å; R180-L184 VanDerWaalsContact O-CD1 3.25Å; R180-L184 WeakPolarHBondContact O-CD1 3.1Å; R180-L184 WeakPolarHBondContact O-CG 3.38Å |
| 181 | L | 92.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -80.9 | -9 | 175.9 | -57.8 | -173.8 | 0 | 0 | 0 | 113.1 | D178 S179 S183 L184 I189 L192 L286 L288 Y311 | D178-L181 WeakPolarHBondContact O-CB 3.31Å; D178-L181 PolarHBondContact O-N 2.96Å; S179-L181 VanDerWaalsContact C-N 3.26Å; S179-L181 PolarHBondContact O-N 3.31Å; L181-S183 PolarHBondContact O-N 3.06Å; L181-L184 PolarHBondContact O-N 3.01Å; L181-I189 HydrophobicContact CD1-CG2 4.47Å; L181-I189 HydrophobicContact CD2-CG1 4.38Å; L181-I189 HydrophobicContact CD2-CG2 4.43Å; L181-L192 HydrophobicContact CD2-CB 4.25Å; L181-L192 HydrophobicContact CD2-CD1 3.84Å; L181-L286 HydrophobicContact CB-CD1 3.83Å; L181-L288 HydrophobicContact CD1-CD1 4.19Å; L181-Y311 HydrophobicContact CD1-CD1 4.13Å |
| 182 | R | 89.7 | Confident | 91.5 | Very high | 173 Ų | 173 | 55.3 Ų | 55.3 | 65% | 0.653 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 128.1 | -175.2 | -165.9 | 176.6 | -164.7 | 178.7 | 5.8 | 111.6 | S179 R180 L184 L286 | S179-R182 VanDerWaalsContact O-CB 3.23Å; S179-R182 WeakPolarHBondContact O-CB 3.46Å; S179-R182 PolarHBondContact O-N 2.79Å; R180-R182 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 3.04Å; R182-L286 HydrophobicContact CB-CD2 4.02Å; R182-L286 HydrophobicContact CG-CD2 3.93Å |
| 183 | S | 87.6 | Confident | 91.7 | Very high | 111 Ų | 111 | 48.7 Ų | 48.7 | 78% | 0.776 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 21.8 | 179.1 | -57 | 0 | 0 | 0 | 0 | 115 | L181 | L181-S183 PolarHBondContact O-N 3.06Š|
| 184 | L | 92 | Very high | 91.8 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | trans | -82.6 | 154.9 | 170.1 | -59.6 | -163.1 | 0 | 0 | 0 | 111.7 | R163 L164 A165 R180 L181 R182 C188 I189 L192 | R163-L184 WeakPolarHBondContact O-CD2 3.29Å; L164-L184 HydrophobicContact CD2-CD1 3.92Å; A165-L184 HydrophobicContact CB-CD2 4.25Å; R180-L184 VanDerWaalsContact O-CD1 3.25Å; R180-L184 WeakPolarHBondContact O-CD1 3.1Å; R180-L184 WeakPolarHBondContact O-CG 3.38Å; L181-L184 PolarHBondContact O-N 3.01Å; R182-L184 PolarHBondContact O-N 3.04Å; L184-C188 HydrophobicContact CB-CB 4.18Å; L184-C188 HydrophobicContact CD1-CB 4.19Å; L184-I189 HydrophobicContact CB-CD1 4.28Å; L184-I189 HydrophobicContact CB-CG1 3.87Å; L184-L192 HydrophobicContact CD1-CD1 3.32Å | ||
| 185 | D | 91.1 | Very high | 92.1 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | trans | -76.2 | 156.8 | 169.3 | 78.9 | 67.2 | 0 | 0 | 0 | 111.5 | R117 R187 C188 I189 | R117-D185 IonicContact CZ-OD1 2.77Å; R117-D185 IonicContact CZ-OD2 3.69Å; R117-D185 IonicContact NH1-OD1 3.05Å; R117-D185 PolarHBondContact NH1-OD1 2.86Å; R117-D185 IonicContact NH1-OD2 2.67Å; R117-D185 PolarHBondContact NH1-OD2 2.87Å; R117-D185 VanDerWaalsContact NH2-CG 3.34Å; R117-D185 IonicContact NH2-OD1 3.36Å; R117-D185 PolarHBondContact NH2-OD1 2.78Å; R117-D185 IonicContact NH2-OD2 3.08Å; R117-D185 PolarHBondContact NH2-OD2 2.82Å; D185-R187 VanDerWaalsContact C-N 3.26Å; D185-R187 PolarHBondContact O-N 2.9Å; D185-R187 VanDerWaalsContact OD1-CA 3.3Å; D185-R187 WeakPolarHBondContact OD1-CA 3.34Å; D185-R187 VanDerWaalsContact OD1-CB 3.27Å; D185-R187 WeakPolarHBondContact OD1-CB 3.38Å; D185-R187 PolarHBondContact OD1-N 3.03Å; D185-C188 WeakPolarHBondContact O-CB 3.45Å; D185-C188 PolarHBondContact O-N 3.01Å; D185-C188 VanDerWaalsContact O-N 3.1Å; D185-C188 PolarHBondContact OD1-N 3.36Å; D185-C188 PolarHBondContact OD2-SG 3.26Å; D185-I189 WeakPolarHBondContact O-CG1 3.43Å; D185-I189 PolarHBondContact O-N 3.08Å | ||
| 186 | I | 91.1 | Very high | 92.3 | Very high | 81 Ų | 81 | 45.5 Ų | 45.5 | 42% | 0.415 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.5 | -26 | -174.8 | -167.5 | 59 | 0 | 0 | 0 | 113.8 | R190 | I186-R190 VanDerWaalsContact O-CG 3.24Å; I186-R190 WeakPolarHBondContact O-CG 3.39Å; I186-R190 PolarHBondContact O-N 3.01Å; I186-R190 VanDerWaalsContact O-N 3.17Å |
| 187 | R | 94 | Very high | 92.7 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 28% | 0.275 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71 | -43.2 | 174 | -68.3 | 171 | 168.8 | -143.7 | -1.6 | 109.4 | E141 D142 P146 D185 I189 R190 S191 | E141-R187 PolarHBondContact O-NH1 2.83Å; D142-R187 IonicContact OD1-NH2 3.28Å; D142-R187 PolarHBondContact OD1-NH2 2.84Å; D142-R187 VanDerWaalsContact OD1-NH2 3.08Å; P146-R187 HydrophobicContact CG-CB 4.14Å; P146-R187 HydrophobicContact CG-CG 4.02Å; D185-R187 VanDerWaalsContact C-N 3.26Å; D185-R187 PolarHBondContact O-N 2.9Å; D185-R187 VanDerWaalsContact OD1-CA 3.3Å; D185-R187 WeakPolarHBondContact OD1-CA 3.34Å; D185-R187 VanDerWaalsContact OD1-CB 3.27Å; D185-R187 WeakPolarHBondContact OD1-CB 3.38Å; D185-R187 PolarHBondContact OD1-N 3.03Å; R187-I189 PolarHBondContact O-N 2.85Å; R187-R190 PolarHBondContact O-N 3.15Å; R187-S191 PolarHBondContact O-N 3.44Å; R187-S191 VanDerWaalsContact O-N 3.09Å; R187-S191 PolarHBondContact O-OG 2.74Å; R187-S191 VanDerWaalsContact O-OG 3.06Å |
| 188 | C | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 172.7 | -83.8 | 0 | 0 | 0 | 0 | 112.6 | R117 R163 L184 D185 R190 S191 L192 | R117-C188 VanDerWaalsContact NH2-N 3.18Å; R117-C188 PolarHBondContact NH2-SG 3.16Å; R163-C188 PolarHBondContact N-SG 3.39Å; L184-C188 HydrophobicContact CB-CB 4.18Å; L184-C188 HydrophobicContact CD1-CB 4.19Å; D185-C188 WeakPolarHBondContact O-CB 3.45Å; D185-C188 PolarHBondContact O-N 3.01Å; D185-C188 VanDerWaalsContact O-N 3.1Å; D185-C188 PolarHBondContact OD1-N 3.36Å; D185-C188 PolarHBondContact OD2-SG 3.26Å; C188-R190 VanDerWaalsContact C-N 3.32Å; C188-R190 PolarHBondContact O-N 2.77Å; C188-S191 PolarHBondContact O-N 3.34Å; C188-L192 WeakPolarHBondContact O-CG 3.39Å; C188-L192 PolarHBondContact O-N 3.38Å |
| 189 | I | 93.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | -179.6 | -65.6 | 166.2 | 0 | 0 | 0 | 110.5 | L181 L184 D185 R187 L192 N193 L288 P312 | L181-I189 HydrophobicContact CD1-CG2 4.47Å; L181-I189 HydrophobicContact CD2-CG1 4.38Å; L181-I189 HydrophobicContact CD2-CG2 4.43Å; L184-I189 HydrophobicContact CB-CD1 4.28Å; L184-I189 HydrophobicContact CB-CG1 3.87Å; D185-I189 WeakPolarHBondContact O-CG1 3.43Å; D185-I189 PolarHBondContact O-N 3.08Å; R187-I189 PolarHBondContact O-N 2.85Å; I189-L192 PolarHBondContact O-N 2.94Å; I189-N193 PolarHBondContact O-N 3.01Å; I189-N193 PolarHBondContact O-OD1 3.4Å; I189-L288 HydrophobicContact CD1-CD1 3.93Å; I189-L288 HydrophobicContact CD1-CD2 3.82Å; I189-L288 HydrophobicContact CG2-CD1 4.16Å; I189-P312 HydrophobicContact CG2-CG 4.38Å |
| 190 | R | 93.7 | Very high | 93.8 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 27% | 0.272 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.8 | -69.3 | 168.9 | -173.1 | 175.8 | 1.1 | 112.6 | F144 V145 I186 R187 C188 L192 N193 | F144-R190 HydrophobicContact CE1-CG 4.08Å; F144-R190 HydrophobicContact CZ-CG 4.36Å; F144-R190 WeakPolarHBondContact O-CD 3.18Å; F144-R190 PolarHBondContact O-NH1 3.39Å; V145-R190 HydrophobicContact CG1-CB 4.47Å; V145-R190 HydrophobicContact CG2-CB 4.01Å; I186-R190 VanDerWaalsContact O-CG 3.24Å; I186-R190 WeakPolarHBondContact O-CG 3.39Å; I186-R190 PolarHBondContact O-N 3.01Å; I186-R190 VanDerWaalsContact O-N 3.17Å; R187-R190 PolarHBondContact O-N 3.15Å; C188-R190 VanDerWaalsContact C-N 3.32Å; C188-R190 PolarHBondContact O-N 2.77Å; R190-L192 VanDerWaalsContact C-N 3.33Å; R190-L192 PolarHBondContact O-N 3.33Å; R190-N193 PolarHBondContact O-N 3.18Å |
| 191 | S | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -42 | 175.2 | -51 | 0 | 0 | 0 | 0 | 112.1 | V145 F161 R187 C188 N193 | V145-S191 WeakPolarHBondContact CG1-OG 3.11Å; F161-S191 VanDerWaalsContact O-CB 3.27Å; F161-S191 WeakPolarHBondContact O-CB 3.48Å; F161-S191 PolarHBondContact O-OG 3.3Å; R187-S191 PolarHBondContact O-N 3.44Å; R187-S191 VanDerWaalsContact O-N 3.09Å; R187-S191 PolarHBondContact O-OG 2.74Å; R187-S191 VanDerWaalsContact O-OG 3.06Å; C188-S191 PolarHBondContact O-N 3.34Å; S191-N193 VanDerWaalsContact C-N 3.35Å; S191-N193 PolarHBondContact O-N 3.46Å |
| 192 | L | 96.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68 | -32.1 | 178.4 | -74.2 | 159.6 | 0 | 0 | 0 | 113.1 | L108 A162 L164 L175 L181 L184 C188 I189 R190 G194 C195 R196 | L108-L192 HydrophobicContact CD2-CD2 3.98Å; A162-L192 HydrophobicContact CB-CD1 4.09Å; A162-L192 HydrophobicContact CB-CD2 3.98Å; A162-L192 HydrophobicContact CB-CG 3.66Å; L164-L192 HydrophobicContact CD2-CD1 3.77Å; L164-L192 HydrophobicContact CD2-CD2 4.11Å; L175-L192 HydrophobicContact CD1-CD2 4.21Å; L175-L192 HydrophobicContact CD2-CD2 4.03Å; L181-L192 HydrophobicContact CD2-CB 4.25Å; L181-L192 HydrophobicContact CD2-CD1 3.84Å; L184-L192 HydrophobicContact CD1-CD1 3.32Å; C188-L192 WeakPolarHBondContact O-CG 3.39Å; C188-L192 PolarHBondContact O-N 3.38Å; I189-L192 PolarHBondContact O-N 2.94Å; R190-L192 VanDerWaalsContact C-N 3.33Å; R190-L192 PolarHBondContact O-N 3.33Å; L192-G194 VanDerWaalsContact C-N 3.25Å; L192-G194 PolarHBondContact O-N 3.14Å; L192-C195 PolarHBondContact O-N 3.49Å; L192-R196 WeakPolarHBondContact O-CB 3.31Å; L192-R196 VanDerWaalsContact O-CG 3.31Å; L192-R196 WeakPolarHBondContact O-CG 3.24Å; L192-R196 PolarHBondContact O-N 3Å |
| 193 | N | 94.2 | Very high | 94.7 | Very high | 15 Ų | 15 | 28.4 Ų | 28.4 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62 | -30.3 | -177.7 | -85 | 6.7 | 0 | 0 | 0 | 113 | I189 R190 S191 R196 V197 | I189-N193 PolarHBondContact O-N 3.01Å; I189-N193 PolarHBondContact O-OD1 3.4Å; R190-N193 PolarHBondContact O-N 3.18Å; S191-N193 VanDerWaalsContact C-N 3.35Å; S191-N193 PolarHBondContact O-N 3.46Å; N193-R196 PolarHBondContact O-N 2.86Å; N193-V197 VanDerWaalsContact O-CB 3.28Å; N193-V197 WeakPolarHBondContact O-CB 3.47Å; N193-V197 VanDerWaalsContact O-CG2 3.26Å; N193-V197 WeakPolarHBondContact O-CG2 3.46Å; N193-V197 PolarHBondContact O-N 3.19Å |
| 194 | G | 93.4 | Very high | 95.1 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 21% | 0.206 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.5 | -55.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L192 T198 | L192-G194 VanDerWaalsContact C-N 3.25Å; L192-G194 PolarHBondContact O-N 3.14Å; G194-T198 WeakPolarHBondContact O-CB 3.3Å; G194-T198 PolarHBondContact O-N 3.36Å; G194-T198 VanDerWaalsContact O-N 3.14Å; G194-T198 PolarHBondContact O-OG1 2.71Å |
| 195 | C | 96.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.02 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | 175.1 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | F91 L108 L175 L192 V197 T198 D199 | F91-C195 HydrophobicContact CB-CB 4.43Å; L108-C195 HydrophobicContact CD2-CB 4.32Å; L108-C195 VanDerWaalsContact CD2-SG 3.56Å; L175-C195 HydrophobicContact CD1-CB 3.92Å; L192-C195 PolarHBondContact O-N 3.49Å; C195-V197 PolarHBondContact O-N 3.21Å; C195-T198 PolarHBondContact O-N 3.35Å; C195-D199 PolarHBondContact O-N 2.94Å |
| 196 | R | 96.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | -177.3 | -72.7 | 165.9 | 57.5 | 79.9 | 2 | 112.2 | L175 R176 D177 D178 L192 N193 E200 A310 Y311 | L175-R196 HydrophobicContact CB-CG 4.32Å; L175-R196 WeakPolarHBondContact O-CD 3.39Å; L175-R196 VanDerWaalsContact O-CG 3.23Å; L175-R196 WeakPolarHBondContact O-CG 3.37Å; L175-R196 PolarHBondContact O-NH1 3.21Å; R176-R196 PolarHBondContact O-NH1 3.47Å; D177-R196 PolarHBondContact O-NH1 3.47Å; D178-R196 IonicContact OD1-CZ 2.93Å; D178-R196 IonicContact OD1-NH1 2.73Å; D178-R196 IonicContact OD1-NH2 3.07Å; D178-R196 PolarHBondContact OD1-NH2 3.42Å; L192-R196 WeakPolarHBondContact O-CB 3.31Å; L192-R196 VanDerWaalsContact O-CG 3.31Å; L192-R196 WeakPolarHBondContact O-CG 3.24Å; L192-R196 PolarHBondContact O-N 3Å; N193-R196 PolarHBondContact O-N 2.86Å; R196-E200 WeakPolarHBondContact O-CB 3.43Å; R196-E200 VanDerWaalsContact O-CG 3.3Å; R196-E200 WeakPolarHBondContact O-CG 3.33Å; R196-E200 PolarHBondContact O-N 3.42Å; R196-A310 HydrophobicContact CB-CB 3.79Å; R196-Y311 PolarHBondContact NE-O 3.02Å; R196-Y311 PolarHBondContact NH2-O 2.93Å |
| 197 | V | 96.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 177.9 | 170 | 0 | 0 | 0 | 0 | 111.4 | N193 C195 E200 I201 V238 T308 A310 | N193-V197 VanDerWaalsContact O-CB 3.28Å; N193-V197 WeakPolarHBondContact O-CB 3.47Å; N193-V197 VanDerWaalsContact O-CG2 3.26Å; N193-V197 WeakPolarHBondContact O-CG2 3.46Å; N193-V197 PolarHBondContact O-N 3.19Å; C195-V197 PolarHBondContact O-N 3.21Å; V197-E200 PolarHBondContact O-N 3.06Å; V197-I201 HydrophobicContact CG1-CD1 3.85Å; V197-I201 VanDerWaalsContact O-CG1 3.27Å; V197-I201 WeakPolarHBondContact O-CG1 3.37Å; V197-I201 PolarHBondContact O-N 3.06Å; V197-V238 HydrophobicContact CG1-CG2 3.74Å; V197-T308 HydrophobicContact CG1-CG2 4.32Å; V197-T308 HydrophobicContact CG2-CG2 4.07Å; V197-A310 HydrophobicContact CG2-CB 3.95Å |
| 198 | T | 97.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | -179.2 | -58.5 | 0 | 0 | 0 | 0 | 112 | G92 R95 L96 G194 C195 I201 L202 | G92-T198 PolarHBondContact N-OG1 2.77Å; R95-T198 HydrophobicContact CB-CG2 3.84Å; R95-T198 HydrophobicContact CG-CG2 3.5Å; L96-T198 HydrophobicContact CD2-CG2 3.85Å; L96-T198 HydrophobicContact CG-CG2 3.84Å; G194-T198 WeakPolarHBondContact O-CB 3.3Å; G194-T198 PolarHBondContact O-N 3.36Å; G194-T198 VanDerWaalsContact O-N 3.14Å; G194-T198 PolarHBondContact O-OG1 2.71Å; C195-T198 PolarHBondContact O-N 3.35Å; T198-I201 PolarHBondContact O-N 3.49Å; T198-L202 WeakPolarHBondContact O-CG 3.49Å; T198-L202 PolarHBondContact O-N 3.43Å |
| 199 | D | 96.4 | Very high | 96.3 | Very high | 19 Ų | 19 | 30.4 Ų | 30.4 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.1 | -34.7 | 179.2 | -81.4 | -11.1 | 0 | 0 | 0 | 112.2 | R95 R176 C195 L202 H203 | R95-D199 IonicContact CZ-OD1 3.48Å; R95-D199 VanDerWaalsContact CZ-OD1 3.25Å; R95-D199 IonicContact CZ-OD2 2.87Å; R95-D199 IonicContact NE-OD1 3.31Å; R95-D199 PolarHBondContact NE-OD1 3.08Å; R95-D199 IonicContact NE-OD2 2.62Å; R95-D199 IonicContact NH2-OD1 3.42Å; R95-D199 PolarHBondContact NH2-OD1 3.39Å; R95-D199 IonicContact NH2-OD2 2.75Å; R95-D199 PolarHBondContact NH2-OD2 3.22Å; R176-D199 HydrophobicContact CG-CB 4.43Å; C195-D199 PolarHBondContact O-N 2.94Å; D199-L202 PolarHBondContact O-N 3.3Å; D199-H203 PolarHBondContact O-N 2.71Å; D199-H203 PolarHBondContact O-ND1 2.92Å |
| 200 | E | 96.2 | Very high | 96.5 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 171.7 | -79.2 | -69.2 | 95.2 | 0 | 0 | 112 | R176 R196 V197 L202 H203 L204 K279 P309 A310 | R176-E200 WeakPolarHBondContact CD-OE1 3.07Å; R176-E200 IonicContact NH1-OE1 3.26Å; R176-E200 PolarHBondContact NH1-OE1 2.97Å; R196-E200 WeakPolarHBondContact O-CB 3.43Å; R196-E200 VanDerWaalsContact O-CG 3.3Å; R196-E200 WeakPolarHBondContact O-CG 3.33Å; R196-E200 PolarHBondContact O-N 3.42Å; V197-E200 PolarHBondContact O-N 3.06Å; E200-L202 VanDerWaalsContact C-N 3.29Å; E200-L202 PolarHBondContact O-N 3.38Å; E200-H203 PolarHBondContact O-N 2.88Å; E200-H203 VanDerWaalsContact O-N 3.09Å; E200-L204 HydrophobicContact CB-CD1 4.39Å; E200-L204 VanDerWaalsContact O-CB 3.31Å; E200-L204 WeakPolarHBondContact O-CB 3.3Å; E200-L204 WeakPolarHBondContact O-CD1 3.36Å; E200-L204 WeakPolarHBondContact O-CG 3.33Å; E200-L204 PolarHBondContact O-N 3.26Å; E200-K279 VanDerWaalsContact OE2-CE 3.26Å; E200-K279 WeakPolarHBondContact OE2-CE 3.31Å; E200-K279 IonicContact OE2-NZ 2.8Å; E200-K279 PolarHBondContact OE2-NZ 2.81Å; E200-P309 HydrophobicContact CB-CB 4.08Å; E200-P309 HydrophobicContact CB-CG 3.72Å; E200-A310 HydrophobicContact CG-CB 4.25Å |
| 201 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.6 | -44.6 | 173.4 | -70.8 | 165.1 | 0 | 0 | 0 | 110.6 | L96 V197 T198 H203 L204 V205 F211 V238 A241 M242 A245 L278 P309 | L96-I201 HydrophobicContact CD2-CG2 4.06Å; V197-I201 HydrophobicContact CG1-CD1 3.85Å; V197-I201 VanDerWaalsContact O-CG1 3.27Å; V197-I201 WeakPolarHBondContact O-CG1 3.37Å; V197-I201 PolarHBondContact O-N 3.06Å; T198-I201 PolarHBondContact O-N 3.49Å; I201-H203 VanDerWaalsContact C-N 3.29Å; I201-H203 PolarHBondContact O-N 2.97Å; I201-L204 PolarHBondContact O-N 2.94Å; I201-V205 PolarHBondContact O-N 2.78Å; I201-F211 HydrophobicContact CG2-CE1 4.32Å; I201-F211 HydrophobicContact CG2-CE2 4.23Å; I201-F211 HydrophobicContact CG2-CZ 3.66Å; I201-V238 HydrophobicContact CD1-CG2 4.13Å; I201-A241 HydrophobicContact CD1-CB 4.34Å; I201-M242 HydrophobicContact CD1-CG 3.64Å; I201-M242 HydrophobicContact CD1-SD 4.49Å; I201-M242 HydrophobicContact CG1-CG 4.08Å; I201-A245 HydrophobicContact CG2-CB 4.17Å; I201-L278 HydrophobicContact CG1-CD1 3.94Å; I201-P309 HydrophobicContact CG1-CG 4.24Å |
| 202 | L | 97.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 32 Ų | 32 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.8 | -21.9 | 178.3 | -68.8 | 172.9 | 0 | 0 | 0 | 113.9 | R95 L96 T198 D199 E200 K208 F211 | R95-L202 HydrophobicContact CG-CD1 4.46Å; L96-L202 HydrophobicContact CD2-CD2 4.05Å; L96-L202 HydrophobicContact CD2-CG 4.01Å; T198-L202 WeakPolarHBondContact O-CG 3.49Å; T198-L202 PolarHBondContact O-N 3.43Å; D199-L202 PolarHBondContact O-N 3.3Å; E200-L202 VanDerWaalsContact C-N 3.29Å; E200-L202 PolarHBondContact O-N 3.38Å; L202-K208 WeakPolarHBondContact O-CE 3.19Å; L202-F211 HydrophobicContact CD2-CE1 4.22Å |
| 203 | H | 95.6 | Very high | 97 | Very high | 78 Ų | 78 | 33.2 Ų | 33.2 | 36% | 0.361 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -87.6 | -23.4 | 172.9 | -73.7 | 93 | 0 | 0 | 0 | 113.2 | R176 D199 E200 I201 | R176-H203 PolarHBondContact NH1-ND1 3.4Å; D199-H203 PolarHBondContact O-N 2.71Å; D199-H203 PolarHBondContact O-ND1 2.92Å; E200-H203 PolarHBondContact O-N 2.88Å; E200-H203 VanDerWaalsContact O-N 3.09Å; I201-H203 VanDerWaalsContact C-N 3.29Å; I201-H203 PolarHBondContact O-N 2.97Å |
| 204 | L | 96.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 13% | 0.131 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -94.3 | 6.2 | -175.9 | -68.3 | 169.6 | 0 | 0 | 0 | 114.2 | Y11 E200 I201 Q249 L278 K279 P309 | Y11-L204 WeakPolarHBondContact CD1-O 3.46Å; E200-L204 HydrophobicContact CB-CD1 4.39Å; E200-L204 VanDerWaalsContact O-CB 3.31Å; E200-L204 WeakPolarHBondContact O-CB 3.3Å; E200-L204 WeakPolarHBondContact O-CD1 3.36Å; E200-L204 WeakPolarHBondContact O-CG 3.33Å; E200-L204 PolarHBondContact O-N 3.26Å; I201-L204 PolarHBondContact O-N 2.94Å; L204-Q249 WeakPolarHBondContact O-CG 3.4Å; L204-Q249 PolarHBondContact O-NE2 2.77Å; L204-L278 HydrophobicContact CD1-CB 3.91Å; L204-K279 HydrophobicContact CD1-CB 4.14Å; L204-K279 HydrophobicContact CD1-CD 4.22Å; L204-K279 HydrophobicContact CD1-CG 4.07Å; L204-K279 HydrophobicContact CD2-CB 4.02Å; L204-P309 HydrophobicContact CD1-CB 3.56Å; L204-P309 HydrophobicContact CD1-CG 4.17Å |
| 205 | V | 97.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | trans | -105.6 | 138 | 172.6 | -67 | 0 | 0 | 0 | 0 | 112.4 | Y11 I201 K208 F211 A245 C248 | Y11-V205 WeakPolarHBondContact CE1-O 3.5Å; I201-V205 PolarHBondContact O-N 2.78Å; V205-K208 HydrophobicContact CG2-CG 4.1Å; V205-F211 HydrophobicContact CB-CB 4.33Å; V205-F211 HydrophobicContact CB-CG 4.38Å; V205-F211 HydrophobicContact CG1-CB 4.33Å; V205-F211 HydrophobicContact CG1-CD2 3.71Å; V205-F211 HydrophobicContact CG1-CE2 4.15Å; V205-F211 HydrophobicContact CG1-CG 3.95Å; V205-F211 HydrophobicContact CG2-CB 4.31Å; V205-F211 HydrophobicContact CG2-CD1 4.36Å; V205-F211 HydrophobicContact CG2-CG 4.25Å; V205-A245 HydrophobicContact CG1-CB 3.56Å; V205-C248 HydrophobicContact CG1-CB 4.44Å | ||
| 206 | P | 96.9 | Very high | 97.6 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 23% | 0.234 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -65.6 | -45.1 | 178 | -24 | 34.5 | 0 | 0 | 0 | 114.3 | Y11 P252 | Y11-P206 HydrophobicContact CD1-CG 4.35Å; Y11-P206 HydrophobicContact CD2-CB 4.19Å; Y11-P206 HydrophobicContact CD2-CG 3.78Å; Y11-P206 HydrophobicContact CE2-CB 4.09Å; Y11-P206 HydrophobicContact CE2-CG 4.18Å; Y11-P206 HydrophobicContact CG-CG 3.88Å; P206-P252 HydrophobicContact CB-CB 3.77Å; P206-P252 HydrophobicContact CG-CB 3.62Å |
| 207 | N | 97.4 | Very high | 97.7 | Very high | 68 Ų | 68 | 32.9 Ų | 32.9 | 36% | 0.364 | 16% | 0.159 | S | C | . | . | trans | -127.2 | 120.8 | 176.3 | -174.9 | -44.3 | 0 | 0 | 0 | 110.1 | E209 T210 F211 | N207-E209 PolarHBondContact OD1-N 3.39Å; N207-T210 PolarHBondContact ND2-OG1 3.32Å; N207-T210 PolarHBondContact OD1-N 2.64Å; N207-T210 PolarHBondContact OD1-OG1 2.75Å; N207-F211 WeakPolarHBondContact O-CB 3.4Å; N207-F211 PolarHBondContact O-N 3.34Å; N207-F211 VanDerWaalsContact O-N 3.15Å | ||
| 208 | K | 97.9 | Very high | 97.8 | Very high | 96 Ų | 96 | 32.5 Ų | 32.5 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -72.3 | -33.6 | -177.1 | -69.1 | 176.7 | 174.7 | 177.1 | 0 | 113.4 | L202 V205 R212 | L202-K208 WeakPolarHBondContact O-CE 3.19Å; V205-K208 HydrophobicContact CG2-CG 4.1Å; K208-R212 WeakPolarHBondContact O-CB 3.42Å; K208-R212 WeakPolarHBondContact O-CD 3.27Å; K208-R212 WeakPolarHBondContact O-CG 3.45Å; K208-R212 PolarHBondContact O-N 3.33Å |
| 209 | E | 97.8 | Very high | 97.8 | Very high | 146 Ų | 146 | 32.8 Ų | 32.8 | 68% | 0.682 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -75.5 | -46.7 | -177.5 | -65 | 170.5 | -178.6 | 0 | 0 | 110.8 | N207 F211 R212 L213 | N207-E209 PolarHBondContact OD1-N 3.39Å; E209-F211 VanDerWaalsContact C-N 3.31Å; E209-F211 PolarHBondContact O-N 2.9Å; E209-R212 WeakPolarHBondContact O-CB 3.48Å; E209-R212 PolarHBondContact O-N 3.2Å; E209-L213 PolarHBondContact O-N 3.45Å |
| 210 | T | 98 | Very high | 97.9 | Very high | 30 Ų | 30 | 32.6 Ų | 32.6 | 18% | 0.184 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.7 | -36.2 | 176.7 | -26.6 | 0 | 0 | 0 | 0 | 111.4 | N207 T214 A256 L259 | N207-T210 PolarHBondContact ND2-OG1 3.32Å; N207-T210 PolarHBondContact OD1-N 2.64Å; N207-T210 PolarHBondContact OD1-OG1 2.75Å; T210-T214 WeakPolarHBondContact O-CB 3.48Å; T210-T214 PolarHBondContact O-N 3Å; T210-T214 PolarHBondContact O-OG1 3.44Å; T210-A256 HydrophobicContact CG2-CB 3.89Å; T210-A256 VanDerWaalsContact CG2-N 3.29Å; T210-L259 HydrophobicContact CG2-CD1 3.77Å |
| 211 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.4 | -52.2 | 168.4 | 164 | -103.4 | 0 | 0 | 0 | 111.9 | L96 I201 L202 V205 N207 E209 L213 T214 L215 A241 V244 A245 | L96-F211 HydrophobicContact CD2-CE1 4.11Å; L96-F211 HydrophobicContact CD2-CZ 4.29Å; I201-F211 HydrophobicContact CG2-CE1 4.32Å; I201-F211 HydrophobicContact CG2-CE2 4.23Å; I201-F211 HydrophobicContact CG2-CZ 3.66Å; L202-F211 HydrophobicContact CD2-CE1 4.22Å; V205-F211 HydrophobicContact CB-CB 4.33Å; V205-F211 HydrophobicContact CB-CG 4.38Å; V205-F211 HydrophobicContact CG1-CB 4.33Å; V205-F211 HydrophobicContact CG1-CD2 3.71Å; V205-F211 HydrophobicContact CG1-CE2 4.15Å; V205-F211 HydrophobicContact CG1-CG 3.95Å; V205-F211 HydrophobicContact CG2-CB 4.31Å; V205-F211 HydrophobicContact CG2-CD1 4.36Å; V205-F211 HydrophobicContact CG2-CG 4.25Å; N207-F211 WeakPolarHBondContact O-CB 3.4Å; N207-F211 PolarHBondContact O-N 3.34Å; N207-F211 VanDerWaalsContact O-N 3.15Å; E209-F211 VanDerWaalsContact C-N 3.31Å; E209-F211 PolarHBondContact O-N 2.9Å; F211-L213 PolarHBondContact O-N 2.74Å; F211-T214 PolarHBondContact O-N 2.7Å; F211-L215 HydrophobicContact CE1-CD2 4.11Å; F211-L215 HydrophobicContact CE2-CD2 4.07Å; F211-L215 HydrophobicContact CZ-CD2 3.56Å; F211-L215 VanDerWaalsContact O-CB 3.29Å; F211-L215 WeakPolarHBondContact O-CB 3.27Å; F211-L215 PolarHBondContact O-N 3.12Å; F211-A241 HydrophobicContact CZ-CB 4.43Å; F211-V244 HydrophobicContact CD2-CG1 3.89Å; F211-V244 HydrophobicContact CE2-CB 4.32Å; F211-V244 HydrophobicContact CE2-CG1 4.14Å; F211-A245 HydrophobicContact CD2-CB 4.33Å; F211-A245 HydrophobicContact CE2-CB 3.86Å |
| 212 | R | 98.7 | Very high | 98 | Very high | 82 Ų | 82 | 32 Ų | 32 | 31% | 0.309 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57.1 | -47 | 178.8 | -80 | 163.9 | 175.1 | 168.1 | -6.4 | 112.4 | L96 V98 K208 E209 L215 R216 | L96-R212 VanDerWaalsContact O-CG 3.31Å; L96-R212 WeakPolarHBondContact O-CG 3.4Å; L96-R212 PolarHBondContact O-NE 2.85Å; V98-R212 HydrophobicContact CG1-CB 3.98Å; V98-R212 HydrophobicContact CG1-CG 3.88Å; K208-R212 WeakPolarHBondContact O-CB 3.42Å; K208-R212 WeakPolarHBondContact O-CD 3.27Å; K208-R212 WeakPolarHBondContact O-CG 3.45Å; K208-R212 PolarHBondContact O-N 3.33Å; E209-R212 WeakPolarHBondContact O-CB 3.48Å; E209-R212 PolarHBondContact O-N 3.2Å; R212-L215 PolarHBondContact O-N 2.75Å; R212-R216 WeakPolarHBondContact O-CG 3.36Å; R212-R216 PolarHBondContact O-N 2.91Å |
| 213 | L | 98.6 | Very high | 98 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | -179.2 | -177.7 | 58.2 | 0 | 0 | 0 | 112 | T30 I34 M37 F43 E209 F211 L215 R216 A217 A256 | T30-L213 HydrophobicContact CG2-CD2 3.64Å; I34-L213 HydrophobicContact CD1-CD2 3.88Å; I34-L213 HydrophobicContact CG1-CD1 3.72Å; I34-L213 HydrophobicContact CG1-CD2 3.85Å; I34-L213 HydrophobicContact CG1-CG 4.43Å; M37-L213 HydrophobicContact CE-CD1 3.54Å; F43-L213 HydrophobicContact CE1-CD1 4.24Å; F43-L213 HydrophobicContact CZ-CD1 3.98Å; E209-L213 PolarHBondContact O-N 3.45Å; F211-L213 PolarHBondContact O-N 2.74Å; L213-L215 VanDerWaalsContact C-N 3.33Å; L213-L215 PolarHBondContact O-N 3.01Å; L213-R216 PolarHBondContact O-N 3.41Å; L213-A217 PolarHBondContact O-N 2.83Å; L213-A217 VanDerWaalsContact O-N 3.16Å; L213-A256 HydrophobicContact CB-CB 4.07Å; L213-A256 HydrophobicContact CD2-CB 3.64Å; L213-A256 HydrophobicContact CG-CB 3.75Å |
| 214 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 174 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | T210 F211 A217 V218 V244 L259 V260 | T210-T214 WeakPolarHBondContact O-CB 3.48Å; T210-T214 PolarHBondContact O-N 3Å; T210-T214 PolarHBondContact O-OG1 3.44Å; F211-T214 PolarHBondContact O-N 2.7Å; T214-A217 WeakPolarHBondContact O-CB 3.39Å; T214-A217 PolarHBondContact O-N 3.07Å; T214-V218 WeakPolarHBondContact O-CG2 3.46Å; T214-V218 PolarHBondContact O-N 3.1Å; T214-V244 HydrophobicContact CG2-CG1 3.61Å; T214-L259 HydrophobicContact CG2-CB 3.81Å; T214-V260 HydrophobicContact CG2-CG2 3.87Å |
| 215 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.3 | -36.4 | -179.7 | -178.7 | 56 | 0 | 0 | 0 | 112.7 | L96 V98 F211 R212 L213 A217 V218 K219 W240 A241 V244 | L96-L215 HydrophobicContact CD1-CD2 4.21Å; V98-L215 HydrophobicContact CB-CD2 4.42Å; V98-L215 HydrophobicContact CB-CG 4.43Å; V98-L215 HydrophobicContact CG1-CB 4.18Å; V98-L215 HydrophobicContact CG1-CD2 4.02Å; V98-L215 HydrophobicContact CG1-CG 4.18Å; V98-L215 HydrophobicContact CG2-CD2 3.86Å; V98-L215 HydrophobicContact CG2-CG 4.19Å; F211-L215 HydrophobicContact CE1-CD2 4.11Å; F211-L215 HydrophobicContact CE2-CD2 4.07Å; F211-L215 HydrophobicContact CZ-CD2 3.56Å; F211-L215 VanDerWaalsContact O-CB 3.29Å; F211-L215 WeakPolarHBondContact O-CB 3.27Å; F211-L215 PolarHBondContact O-N 3.12Å; R212-L215 PolarHBondContact O-N 2.75Å; L213-L215 VanDerWaalsContact C-N 3.33Å; L213-L215 PolarHBondContact O-N 3.01Å; L215-A217 VanDerWaalsContact C-N 3.32Å; L215-A217 PolarHBondContact O-N 3.45Å; L215-V218 PolarHBondContact O-N 2.86Å; L215-K219 HydrophobicContact CD1-CG 4.03Å; L215-K219 HydrophobicContact CG-CG 4.4Å; L215-K219 WeakPolarHBondContact O-CB 3.4Å; L215-K219 WeakPolarHBondContact O-CG 3.32Å; L215-K219 PolarHBondContact O-N 2.63Å; L215-W240 HydrophobicContact CD1-CB 4.2Å; L215-A241 HydrophobicContact CD1-CB 4.34Å; L215-A241 HydrophobicContact CD2-CB 3.65Å; L215-V244 HydrophobicContact CB-CB 4.44Å; L215-V244 HydrophobicContact CB-CG1 4.13Å; L215-V244 HydrophobicContact CB-CG2 4.5Å; L215-V244 HydrophobicContact CD1-CB 4.29Å; L215-V244 HydrophobicContact CD1-CG2 3.96Å |
| 216 | R | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 35 Ų | 35 | 11% | 0.109 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 169.6 | -74.2 | 176.2 | -176.1 | -86.9 | -2.7 | 110.6 | V42 G97 V98 H99 R212 L213 L220 | V42-R216 WeakPolarHBondContact O-CD 3.47Å; V42-R216 PolarHBondContact O-NH1 2.98Å; G97-R216 VanDerWaalsContact C-NH2 3.31Å; G97-R216 PolarHBondContact O-NE 3.37Å; G97-R216 PolarHBondContact O-NH2 3.47Å; V98-R216 HydrophobicContact CB-CG 4.04Å; V98-R216 HydrophobicContact CG1-CG 4.22Å; H99-R216 PolarHBondContact O-NH1 3.14Å; H99-R216 PolarHBondContact O-NH2 3.24Å; R212-R216 WeakPolarHBondContact O-CG 3.36Å; R212-R216 PolarHBondContact O-N 2.91Å; L213-R216 PolarHBondContact O-N 3.41Å; R216-L220 WeakPolarHBondContact O-CB 3.44Å; R216-L220 PolarHBondContact O-N 2.89Å |
| 217 | A | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | L33 M37 L213 T214 L215 L220 W221 V260 | L33-A217 HydrophobicContact CD1-CB 4.07Å; L33-A217 HydrophobicContact CD2-CB 4.25Å; M37-A217 HydrophobicContact CE-CB 4.27Å; M37-A217 WeakPolarHBondContact SD-CA 3.27Å; M37-A217 HydrophobicContact SD-CB 3.6Å; L213-A217 PolarHBondContact O-N 2.83Å; L213-A217 VanDerWaalsContact O-N 3.16Å; T214-A217 WeakPolarHBondContact O-CB 3.39Å; T214-A217 PolarHBondContact O-N 3.07Å; L215-A217 VanDerWaalsContact C-N 3.32Å; L215-A217 PolarHBondContact O-N 3.45Å; A217-L220 PolarHBondContact O-N 3.28Å; A217-W221 VanDerWaalsContact O-CB 3.32Å; A217-W221 WeakPolarHBondContact O-CB 3.49Å; A217-W221 PolarHBondContact O-N 3.49Å; A217-V260 HydrophobicContact CB-CG2 3.81Å |
| 218 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.8 | -39.4 | 179.7 | 168.8 | 0 | 0 | 0 | 0 | 112.3 | T214 L215 W221 A222 W240 V244 F263 | T214-V218 WeakPolarHBondContact O-CG2 3.46Å; T214-V218 PolarHBondContact O-N 3.1Å; L215-V218 PolarHBondContact O-N 2.86Å; V218-W221 HydrophobicContact CG1-CE3 4.45Å; V218-W221 PolarHBondContact O-N 3.3Å; V218-A222 VanDerWaalsContact O-CB 3.31Å; V218-A222 WeakPolarHBondContact O-CB 3.26Å; V218-A222 PolarHBondContact O-N 3.08Å; V218-W240 HydrophobicContact CG1-CD2 4.32Å; V218-W240 HydrophobicContact CG1-CE3 3.77Å; V218-W240 HydrophobicContact CG1-CZ3 4.43Å; V218-V244 HydrophobicContact CB-CG2 3.83Å; V218-V244 HydrophobicContact CG1-CG2 3.89Å; V218-V244 HydrophobicContact CG2-CG2 3.83Å; V218-F263 HydrophobicContact CB-CZ 4.42Å; V218-F263 HydrophobicContact CG1-CE1 3.86Å; V218-F263 HydrophobicContact CG1-CE2 3.81Å; V218-F263 HydrophobicContact CG1-CZ 3.39Å; V218-F263 HydrophobicContact CG2-CD1 3.94Å; V218-F263 HydrophobicContact CG2-CD2 4.18Å; V218-F263 HydrophobicContact CG2-CE1 3.97Å; V218-F263 HydrophobicContact CG2-CE2 4.18Å; V218-F263 HydrophobicContact CG2-CG 4.05Å; V218-F263 HydrophobicContact CG2-CZ 4.09Å |
| 219 | K | 98.1 | Very high | 97.8 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 6% | 0.057 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -49.2 | 172.4 | -79.6 | -167.1 | 64.7 | 167.9 | 0 | 110.9 | V98 L215 A222 K223 Y228 D527 | V98-K219 HydrophobicContact CG2-CD 4.27Å; L215-K219 HydrophobicContact CD1-CG 4.03Å; L215-K219 HydrophobicContact CG-CG 4.4Å; L215-K219 WeakPolarHBondContact O-CB 3.4Å; L215-K219 WeakPolarHBondContact O-CG 3.32Å; L215-K219 PolarHBondContact O-N 2.63Å; K219-A222 PolarHBondContact O-N 3.26Å; K219-K223 WeakPolarHBondContact O-CG 3.49Å; K219-K223 PolarHBondContact O-N 2.79Å; K219-Y228 WeakPolarHBondContact CE-OH 3.46Å; K219-Y228 HydrophobicContact CG-CE2 4.21Å; K219-Y228 PolarHBondContact NZ-OH 3.38Å; K219-D527 IonicContact NZ-OD2 2.91Å; K219-D527 PolarHBondContact NZ-OD2 2.87Å |
| 220 | L | 98.1 | Very high | 97.7 | Very high | 15 Ų | 15 | 21.6 Ų | 21.6 | 8% | 0.079 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 179.3 | -179 | 61.3 | 0 | 0 | 0 | 111.1 | M37 F40 V42 R216 A217 A222 K223 R224 L353 | M37-L220 HydrophobicContact CB-CD2 4.49Å; M37-L220 HydrophobicContact CG-CD2 3.98Å; F40-L220 HydrophobicContact CB-CD1 3.82Å; F40-L220 HydrophobicContact CB-CD2 3.84Å; F40-L220 HydrophobicContact CD1-CD1 4.26Å; F40-L220 HydrophobicContact CD2-CD2 3.76Å; F40-L220 HydrophobicContact CG-CD1 4.02Å; F40-L220 HydrophobicContact CG-CD2 3.86Å; V42-L220 HydrophobicContact CG1-CB 4.25Å; V42-L220 HydrophobicContact CG1-CD1 3.91Å; V42-L220 HydrophobicContact CG1-CD2 4.08Å; V42-L220 HydrophobicContact CG1-CG 4.29Å; V42-L220 HydrophobicContact CG2-CD2 4.28Å; R216-L220 WeakPolarHBondContact O-CB 3.44Å; R216-L220 PolarHBondContact O-N 2.89Å; A217-L220 PolarHBondContact O-N 3.28Å; L220-A222 PolarHBondContact O-N 2.92Å; L220-K223 PolarHBondContact O-N 2.92Å; L220-R224 HydrophobicContact CD1-CG 3.86Å; L220-R224 HydrophobicContact CG-CG 4.18Å; L220-R224 VanDerWaalsContact O-CB 3.29Å; L220-R224 WeakPolarHBondContact O-CB 3.5Å; L220-R224 WeakPolarHBondContact O-CG 3.12Å; L220-R224 PolarHBondContact O-N 2.77Å; L220-L353 HydrophobicContact CD2-CD1 3.8Å; L220-L353 HydrophobicContact CD2-CD2 4.01Å; L220-L353 HydrophobicContact CG-CD2 4.06Å |
| 221 | W | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -54.3 | -52.5 | 173.8 | 167.8 | 79.4 | 0 | 0 | 0 | 111.6 | A217 V218 K223 R224 R225 I227 W240 F263 F264 E331 F332 L353 | A217-W221 VanDerWaalsContact O-CB 3.32Å; A217-W221 WeakPolarHBondContact O-CB 3.49Å; A217-W221 PolarHBondContact O-N 3.49Å; V218-W221 HydrophobicContact CG1-CE3 4.45Å; V218-W221 PolarHBondContact O-N 3.3Å; W221-K223 PolarHBondContact O-N 2.86Å; W221-R224 CarbonylContact O-C 3.49Å; W221-R224 PolarHBondContact O-N 3.43Å; W221-R225 HydrophobicContact CD2-CG 4.39Å; W221-R225 HydrophobicContact CG-CG 4.28Å; W221-R225 HydrophobicContact CZ2-CG 4.43Å; W221-R225 WeakPolarHBondContact O-CB 3.37Å; W221-R225 VanDerWaalsContact O-CG 3.3Å; W221-R225 WeakPolarHBondContact O-CG 3.18Å; W221-R225 PolarHBondContact O-N 2.91Å; W221-I227 HydrophobicContact CH2-CD1 3.44Å; W221-I227 VanDerWaalsContact CH2-CD1 3.44Å; W221-I227 HydrophobicContact CZ2-CD1 4Å; W221-I227 HydrophobicContact CZ3-CD1 3.78Å; W221-W240 HydrophobicContact CH2-CH2 4.42Å; W221-W240 AromaticContact CZ3-CH2 3.73Å; W221-W240 HydrophobicContact CZ3-CH2 3.73Å; W221-W240 AromaticContact CZ3-CZ3 3.84Å; W221-W240 HydrophobicContact CZ3-CZ3 3.84Å; W221-F263 HydrophobicContact CZ3-CE1 4.13Å; W221-F264 AromaticContact CD2-CE1 3.8Å; W221-F264 HydrophobicContact CD2-CE1 3.8Å; W221-F264 AromaticContact CD2-CZ 3.73Å; W221-F264 HydrophobicContact CD2-CZ 3.73Å; W221-F264 AromaticContact CE2-CE1 3.51Å; W221-F264 AromaticContact CE2-CZ 3.69Å; W221-F264 AromaticContact CE3-CE1 3.98Å; W221-F264 HydrophobicContact CE3-CE1 3.98Å; W221-F264 HydrophobicContact CE3-CZ 4.19Å; W221-F264 HydrophobicContact CG-CZ 4.04Å; W221-F264 AromaticContact CH2-CE1 3.7Å; W221-F264 HydrophobicContact CH2-CE1 3.7Å; W221-F264 HydrophobicContact CZ2-CD1 4.41Å; W221-F264 AromaticContact CZ2-CE1 3.49Å; W221-F264 HydrophobicContact CZ2-CE1 3.49Å; W221-F264 VanDerWaalsContact CZ2-CE1 3.49Å; W221-F264 HydrophobicContact CZ2-CZ 4.16Å; W221-F264 AromaticContact CZ3-CE1 3.93Å; W221-F264 HydrophobicContact CZ3-CE1 3.93Å; W221-F264 AromaticContact NE1-CZ 3.85Å; W221-E331 HydrophobicContact CZ2-CB 4.13Å; W221-F332 AromaticContact CH2-CD1 3.61Å; W221-F332 HydrophobicContact CH2-CD1 3.61Å; W221-F332 AromaticContact CH2-CE1 3.73Å; W221-F332 HydrophobicContact CH2-CE1 3.73Å; W221-F332 HydrophobicContact CZ2-CD1 4.49Å; W221-F332 HydrophobicContact CZ3-CD1 4.23Å; W221-F332 AromaticContact CZ3-CE1 3.94Å; W221-F332 HydrophobicContact CZ3-CE1 3.94Å; W221-L353 HydrophobicContact CB-CD2 4.47Å |
| 222 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | V218 K219 L220 G226 I227 Y228 W240 | V218-A222 VanDerWaalsContact O-CB 3.31Å; V218-A222 WeakPolarHBondContact O-CB 3.26Å; V218-A222 PolarHBondContact O-N 3.08Å; K219-A222 PolarHBondContact O-N 3.26Å; L220-A222 PolarHBondContact O-N 2.92Å; A222-G226 PolarHBondContact O-N 3.3Å; A222-I227 HydrophobicContact CB-CG1 4.13Å; A222-I227 WeakPolarHBondContact O-CG1 3.49Å; A222-I227 PolarHBondContact O-N 3.28Å; A222-Y228 HydrophobicContact CB-CD2 4Å; A222-W240 HydrophobicContact CB-CD2 4.13Å; A222-W240 VanDerWaalsContact CB-CE2 3.46Å; A222-W240 HydrophobicContact CB-CH2 4.12Å; A222-W240 HydrophobicContact CB-CZ2 3.45Å; A222-W240 VanDerWaalsContact CB-CZ2 3.45Å |
| 223 | K | 96.3 | Very high | 97.1 | Very high | 42 Ų | 42 | 17.9 Ų | 17.9 | 18% | 0.183 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 172.1 | -75.6 | -173.3 | 167.8 | -152 | 0 | 111.1 | K219 L220 W221 R225 G226 Y228 S525 D527 | K219-K223 WeakPolarHBondContact O-CG 3.49Å; K219-K223 PolarHBondContact O-N 2.79Å; L220-K223 PolarHBondContact O-N 2.92Å; W221-K223 PolarHBondContact O-N 2.86Å; K223-R225 VanDerWaalsContact C-N 3.28Å; K223-R225 PolarHBondContact O-N 3.4Å; K223-G226 PolarHBondContact O-N 2.89Å; K223-G226 VanDerWaalsContact O-N 3.08Å; K223-Y228 HydrophobicContact CG-CD1 3.91Å; K223-Y228 HydrophobicContact CG-CD2 4Å; K223-Y228 HydrophobicContact CG-CE1 4.5Å; K223-Y228 HydrophobicContact CG-CG 3.64Å; K223-S525 VanDerWaalsContact CD-OG 3.29Å; K223-S525 WeakPolarHBondContact CD-OG 3.47Å; K223-S525 VanDerWaalsContact CE-OG 3.3Å; K223-S525 WeakPolarHBondContact CE-OG 3.25Å; K223-S525 PolarHBondContact NZ-O 3.26Å; K223-S525 PolarHBondContact NZ-OG 2.91Å; K223-D527 WeakPolarHBondContact CE-OD1 3.17Å; K223-D527 IonicContact NZ-OD1 3.56Å; K223-D527 PolarHBondContact NZ-OD1 2.86Å |
| 224 | R | 95.9 | Very high | 97.1 | Very high | 91 Ų | 91 | 16.6 Ų | 16.6 | 34% | 0.343 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -63.1 | -29.9 | 179.6 | -67.1 | -70.2 | -68.8 | -168.5 | -11 | 113.4 | L220 W221 L353 P355 P356 | L220-R224 HydrophobicContact CD1-CG 3.86Å; L220-R224 HydrophobicContact CG-CG 4.18Å; L220-R224 VanDerWaalsContact O-CB 3.29Å; L220-R224 WeakPolarHBondContact O-CB 3.5Å; L220-R224 WeakPolarHBondContact O-CG 3.12Å; L220-R224 PolarHBondContact O-N 2.77Å; W221-R224 CarbonylContact O-C 3.49Å; W221-R224 PolarHBondContact O-N 3.43Å; R224-L353 PolarHBondContact NE-O 3.2Å; R224-L353 PolarHBondContact NH2-O 2.78Å; R224-L353 VanDerWaalsContact NH2-O 3.14Å; R224-P355 WeakPolarHBondContact O-CA 3.2Å; R224-P355 WeakPolarHBondContact O-CB 3.34Å; R224-P356 VanDerWaalsContact O-CD 3.29Å; R224-P356 WeakPolarHBondContact O-CD 3.43Å |
| 225 | R | 96.3 | Very high | 97 | Very high | 33 Ų | 33 | 16.6 Ų | 16.6 | 13% | 0.125 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3.3 | 175.9 | -61.9 | -51.2 | -66.4 | -159.7 | -13.5 | 114.6 | W221 K223 I227 E331 E354 | W221-R225 HydrophobicContact CD2-CG 4.39Å; W221-R225 HydrophobicContact CG-CG 4.28Å; W221-R225 HydrophobicContact CZ2-CG 4.43Å; W221-R225 WeakPolarHBondContact O-CB 3.37Å; W221-R225 VanDerWaalsContact O-CG 3.3Å; W221-R225 WeakPolarHBondContact O-CG 3.18Å; W221-R225 PolarHBondContact O-N 2.91Å; K223-R225 VanDerWaalsContact C-N 3.28Å; K223-R225 PolarHBondContact O-N 3.4Å; R225-I227 HydrophobicContact CB-CD1 4.37Å; R225-I227 HydrophobicContact CB-CG1 4.19Å; R225-E331 IonicContact CZ-OE2 2.82Å; R225-E331 IonicContact NE-OE2 2.75Å; R225-E331 PolarHBondContact NE-OE2 2.79Å; R225-E331 IonicContact NH2-OE1 3.73Å; R225-E331 IonicContact NH2-OE2 3.86Å; R225-E331 PolarHBondContact NH2-OE2 2.94Å; R225-E354 WeakPolarHBondContact CD-O 3.35Å; R225-E354 PolarHBondContact NH1-O 3.02Å |
| 226 | G | 96 | Very high | 96.9 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 16% | 0.155 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 34.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | A222 K223 P409 | A222-G226 PolarHBondContact O-N 3.3Å; K223-G226 PolarHBondContact O-N 2.89Å; K223-G226 VanDerWaalsContact O-N 3.08Å; G226-P409 WeakPolarHBondContact O-CD 3.38Å; G226-P409 WeakPolarHBondContact O-CG 3.43Å |
| 227 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -126.8 | 27.1 | -179.9 | 60.3 | 173.9 | 0 | 0 | 0 | 112.1 | W221 A222 R225 F234 W240 V327 M328 E331 | W221-I227 HydrophobicContact CH2-CD1 3.44Å; W221-I227 VanDerWaalsContact CH2-CD1 3.44Å; W221-I227 HydrophobicContact CZ2-CD1 4Å; W221-I227 HydrophobicContact CZ3-CD1 3.78Å; A222-I227 HydrophobicContact CB-CG1 4.13Å; A222-I227 WeakPolarHBondContact O-CG1 3.49Å; A222-I227 PolarHBondContact O-N 3.28Å; R225-I227 HydrophobicContact CB-CD1 4.37Å; R225-I227 HydrophobicContact CB-CG1 4.19Å; I227-F234 HydrophobicContact CB-CD1 3.95Å; I227-F234 HydrophobicContact CB-CE1 4.19Å; I227-F234 HydrophobicContact CB-CG 4.41Å; I227-F234 HydrophobicContact CG2-CD1 4.08Å; I227-F234 HydrophobicContact CG2-CE1 3.79Å; I227-F234 HydrophobicContact CG2-CZ 4.33Å; I227-F234 WeakPolarHBondContact O-CB 3.3Å; I227-W240 HydrophobicContact CD1-CH2 4.01Å; I227-W240 HydrophobicContact CD1-CZ2 4.21Å; I227-W240 HydrophobicContact CG1-CH2 4.46Å; I227-W240 HydrophobicContact CG1-CZ2 4.16Å; I227-W240 WeakPolarHBondContact O-CZ2 3.4Å; I227-V327 HydrophobicContact CG2-CG1 3.82Å; I227-M328 HydrophobicContact CB-CG 4.23Å; I227-M328 HydrophobicContact CG2-CG 4.35Å; I227-E331 HydrophobicContact CD1-CB 4.11Å; I227-E331 HydrophobicContact CG2-CG 4.32Å | ||
| 228 | Y | 97.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 18.9 Ų | 18.9 | 9% | 0.086 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -117.9 | 95.4 | 180 | -167.8 | -79.4 | 0 | 0 | 0 | 109.7 | K219 A222 K223 G237 W240 D527 | K219-Y228 WeakPolarHBondContact CE-OH 3.46Å; K219-Y228 HydrophobicContact CG-CE2 4.21Å; K219-Y228 PolarHBondContact NZ-OH 3.38Å; A222-Y228 HydrophobicContact CB-CD2 4Å; K223-Y228 HydrophobicContact CG-CD1 3.91Å; K223-Y228 HydrophobicContact CG-CD2 4Å; K223-Y228 HydrophobicContact CG-CE1 4.5Å; K223-Y228 HydrophobicContact CG-CG 3.64Å; Y228-G237 WeakPolarHBondContact OH-CA 3.43Å; Y228-G237 PolarHBondContact OH-N 2.69Å; Y228-W240 AromaticContact CD2-CD1 3.39Å; Y228-W240 HydrophobicContact CD2-CG 4.49Å; Y228-W240 AromaticContact CD2-NE1 3.26Å; Y228-W240 VanDerWaalsContact CD2-NE1 3.26Å; Y228-W240 AromaticContact CE2-CD1 3.35Å; Y228-W240 HydrophobicContact CE2-CG 4.38Å; Y228-W240 AromaticContact CE2-NE1 3.76Å; Y228-D527 WeakPolarHBondContact CE1-OD1 3.17Å; Y228-D527 VanDerWaalsContact OH-CG 3.29Å; Y228-D527 PolarHBondContact OH-OD1 3.21Å; Y228-D527 PolarHBondContact OH-OD2 3.37Å |
| 229 | S | 96.2 | Very high | 96.7 | Very high | 26 Ų | 26 | 18.9 Ų | 18.9 | 18% | 0.182 | 10% | 0.101 | C | C | . | . | trans | -179.9 | 111.3 | 169.8 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | M231 L232 F234 L235 | S229-M231 VanDerWaalsContact C-N 3.31Å; S229-L232 WeakPolarHBondContact OG-CG 2.9Å; S229-L232 PolarHBondContact OG-N 2.67Å; S229-F234 CarbonylContact O-C 3.58Å; S229-F234 WeakPolarHBondContact O-CA 3.21Å; S229-F234 WeakPolarHBondContact O-CB 3.06Å; S229-F234 PolarHBondContact O-N 3.43Å; S229-L235 PolarHBondContact N-O 2.73Å | ||
| 230 | N | 94.5 | Very high | 96.7 | Very high | 17 Ų | 17 | 18.2 Ų | 18.2 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -41.4 | 172.8 | 179.5 | 32 | 0 | 0 | 0 | 111.4 | L232 G233 F234 N319 D529 | N230-L232 VanDerWaalsContact C-N 3.26Å; N230-L232 PolarHBondContact O-N 3.05Å; N230-G233 PolarHBondContact O-N 2.81Å; N230-F234 WeakPolarHBondContact CA-O 3.29Å; N230-N319 WeakPolarHBondContact O-CB 3.5Å; N230-N319 PolarHBondContact O-ND2 3.46Å; N230-N319 PolarHBondContact OD1-ND2 3.38Å; N230-D529 PolarHBondContact ND2-OD1 2.65Å; N230-D529 PolarHBondContact ND2-OD2 2.86Å; N230-D529 VanDerWaalsContact ND2-OD2 3.17Å |
| 231 | M | 92.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 17.5 Ų | 17.5 | 16% | 0.158 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -35.1 | -177.4 | -167.5 | -178.8 | -58.5 | 0 | 0 | 113.2 | S229 E386 S387 R390 | S229-M231 VanDerWaalsContact C-N 3.31Å; M231-E386 HydrophobicContact SD-CB 4.22Å; M231-E386 HydrophobicContact SD-CG 4.02Å; M231-S387 VanDerWaalsContact SD-CA 3.59Å; M231-R390 WeakPolarHBondContact O-CD 3.32Å; M231-R390 PolarHBondContact O-NH1 3.44Å |
| 232 | L | 95.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5.5 | 179.3 | -61.8 | 176.6 | 0 | 0 | 0 | 113.8 | S229 N230 E386 I389 V407 P409 | S229-L232 WeakPolarHBondContact OG-CG 2.9Å; S229-L232 PolarHBondContact OG-N 2.67Å; N230-L232 VanDerWaalsContact C-N 3.26Å; N230-L232 PolarHBondContact O-N 3.05Å; L232-E386 HydrophobicContact CD2-CG 4.06Å; L232-I389 HydrophobicContact CD2-CB 3.73Å; L232-I389 HydrophobicContact CD2-CD1 4.24Å; L232-I389 HydrophobicContact CD2-CG1 4.4Å; L232-I389 HydrophobicContact CD2-CG2 4.21Å; L232-V407 HydrophobicContact CB-CG1 4.17Å; L232-V407 HydrophobicContact CD1-CG2 4.38Å; L232-V407 HydrophobicContact CD2-CG2 4.47Å; L232-P409 HydrophobicContact CD1-CB 3.97Å; L232-P409 HydrophobicContact CD1-CG 4.47Å |
| 233 | G | 96 | Very high | 96.8 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 16.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N230 N319 V320 T324 | N230-G233 PolarHBondContact O-N 2.81Å; G233-N319 WeakPolarHBondContact CA-O 3.29Å; G233-V320 WeakPolarHBondContact O-CA 3.37Å; G233-V320 WeakPolarHBondContact O-CG2 3.29Å; G233-T324 WeakPolarHBondContact O-CB 3.41Å; G233-T324 WeakPolarHBondContact O-CG2 3.17Å; G233-T324 PolarHBondContact O-OG1 2.97Å |
| 234 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -96.1 | -164.1 | 164.3 | -63.9 | -72.2 | 0 | 0 | 0 | 110.7 | I227 S229 N230 T324 V327 M328 H406 V407 P409 | I227-F234 HydrophobicContact CB-CD1 3.95Å; I227-F234 HydrophobicContact CB-CE1 4.19Å; I227-F234 HydrophobicContact CB-CG 4.41Å; I227-F234 HydrophobicContact CG2-CD1 4.08Å; I227-F234 HydrophobicContact CG2-CE1 3.79Å; I227-F234 HydrophobicContact CG2-CZ 4.33Å; I227-F234 WeakPolarHBondContact O-CB 3.3Å; S229-F234 CarbonylContact O-C 3.58Å; S229-F234 WeakPolarHBondContact O-CA 3.21Å; S229-F234 WeakPolarHBondContact O-CB 3.06Å; S229-F234 PolarHBondContact O-N 3.43Å; N230-F234 WeakPolarHBondContact CA-O 3.29Å; F234-T324 HydrophobicContact CD1-CG2 4.14Å; F234-T324 HydrophobicContact CE1-CG2 3.96Å; F234-T324 HydrophobicContact CE2-CG2 4.43Å; F234-T324 HydrophobicContact CG-CG2 4.47Å; F234-T324 HydrophobicContact CZ-CG2 4.13Å; F234-V327 HydrophobicContact CE1-CB 4.22Å; F234-V327 HydrophobicContact CE1-CG1 4.04Å; F234-V327 HydrophobicContact CZ-CG1 4.49Å; F234-M328 HydrophobicContact CB-SD 4.35Å; F234-M328 HydrophobicContact CD1-CE 4.22Å; F234-M328 HydrophobicContact CD1-CG 3.85Å; F234-M328 HydrophobicContact CD1-SD 3.9Å; F234-M328 HydrophobicContact CE1-CG 4.32Å; F234-H406 AromaticContact CZ-CD2 3.74Å; F234-H406 AromaticContact CZ-NE2 3.74Å; F234-V407 HydrophobicContact CE2-CG1 4Å; F234-P409 HydrophobicContact CD2-CG 4.02Å; F234-P409 HydrophobicContact CE2-CG 3.84Å |
| 235 | L | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | B | Isolated β-bridge | trans | -91.1 | 135.1 | 177.9 | -57.1 | -168.9 | 0 | 0 | 0 | 111.6 | S229 W240 L243 I306 T317 V320 M328 | S229-L235 PolarHBondContact N-O 2.73Å; L235-W240 HydrophobicContact CB-CD2 4.08Å; L235-W240 HydrophobicContact CB-CG 4.42Å; L235-W240 HydrophobicContact CB-CH2 4.42Å; L235-W240 HydrophobicContact CB-CZ2 3.73Å; L235-W240 HydrophobicContact CD1-CD2 4.12Å; L235-W240 HydrophobicContact CD1-CE3 3.96Å; L235-W240 HydrophobicContact CD1-CH2 3.8Å; L235-W240 HydrophobicContact CD1-CZ2 3.97Å; L235-W240 HydrophobicContact CD1-CZ3 3.77Å; L235-W240 HydrophobicContact CG-CH2 4.33Å; L235-W240 HydrophobicContact CG-CZ2 4.09Å; L235-W240 PolarHBondContact O-NE1 3.3Å; L235-W240 VanDerWaalsContact O-NE1 3.08Å; L235-L243 HydrophobicContact CD1-CD1 3.62Å; L235-I306 HydrophobicContact CD1-CD1 3.92Å; L235-I306 HydrophobicContact CD2-CD1 4.09Å; L235-T317 HydrophobicContact CD2-CG2 3.42Å; L235-T317 VanDerWaalsContact CD2-CG2 3.42Å; L235-V320 HydrophobicContact CD2-CG2 4.21Å; L235-M328 HydrophobicContact CD1-SD 4.47Å; L235-M328 HydrophobicContact CD2-SD 4.29Å; L235-M328 HydrophobicContact CG-SD 3.75Å |
| 236 | G | 95.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 9.9 Ų | 9.9 | 6% | 0.062 | 6% | 0.064 | C | C | . | . | trans | -86.7 | 176.1 | 167 | 0 | 0 | 0 | 0 | 0 | 113.1 | V238 S239 W240 | G236-V238 PolarHBondContact O-N 3.23Å; G236-S239 WeakPolarHBondContact O-CB 3.2Å; G236-S239 PolarHBondContact O-N 3.22Å; G236-S239 VanDerWaalsContact O-N 3.1Å; G236-W240 PolarHBondContact O-N 2.83Å; G236-W240 VanDerWaalsContact O-N 3.16Å | ||
| 237 | G | 95.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 9.1 Ų | 9.1 | 23% | 0.227 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -56.7 | -42 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y228 S239 W240 A241 | Y228-G237 WeakPolarHBondContact OH-CA 3.43Å; Y228-G237 PolarHBondContact OH-N 2.69Å; G237-S239 PolarHBondContact O-N 3.07Å; G237-W240 PolarHBondContact O-N 3.15Å; G237-A241 WeakPolarHBondContact O-CB 3.46Å; G237-A241 PolarHBondContact O-N 3.35Å |
| 238 | V | 97.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 9.4 Ų | 9.4 | 32% | 0.321 | 6% | 0.058 | S | C | . | . | H | α-helix | trans | -66.3 | -36.3 | 178.1 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | V197 I201 G236 A241 M242 | V197-V238 HydrophobicContact CG1-CG2 3.74Å; I201-V238 HydrophobicContact CD1-CG2 4.13Å; G236-V238 PolarHBondContact O-N 3.23Å; V238-A241 WeakPolarHBondContact O-CB 3.45Å; V238-A241 PolarHBondContact O-N 3.39Å; V238-M242 HydrophobicContact CG2-CE 4.32Å; V238-M242 WeakPolarHBondContact O-CG 3.29Å; V238-M242 PolarHBondContact O-N 3.42Å |
| 239 | S | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.007 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | G236 G237 M242 L243 S316 | G236-S239 WeakPolarHBondContact O-CB 3.2Å; G236-S239 PolarHBondContact O-N 3.22Å; G236-S239 VanDerWaalsContact O-N 3.1Å; G237-S239 PolarHBondContact O-N 3.07Å; S239-M242 PolarHBondContact O-N 3.1Å; S239-L243 WeakPolarHBondContact O-CG 3.44Å; S239-L243 PolarHBondContact O-N 3.31Å; S239-L243 VanDerWaalsContact O-N 3.08Å; S239-S316 WeakPolarHBondContact OG-CB 3.39Å; S239-S316 PolarHBondContact OG-O 3.1Å; S239-S316 PolarHBondContact OG-OG 3.08Å |
| 240 | W | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 172.4 | -67.4 | 114.6 | 0 | 0 | 0 | 112.6 | L215 V218 W221 A222 I227 Y228 L235 G236 G237 M242 L243 V244 F263 F332 | L215-W240 HydrophobicContact CD1-CB 4.2Å; V218-W240 HydrophobicContact CG1-CD2 4.32Å; V218-W240 HydrophobicContact CG1-CE3 3.77Å; V218-W240 HydrophobicContact CG1-CZ3 4.43Å; W221-W240 HydrophobicContact CH2-CH2 4.42Å; W221-W240 AromaticContact CZ3-CH2 3.73Å; W221-W240 HydrophobicContact CZ3-CH2 3.73Å; W221-W240 AromaticContact CZ3-CZ3 3.84Å; W221-W240 HydrophobicContact CZ3-CZ3 3.84Å; A222-W240 HydrophobicContact CB-CD2 4.13Å; A222-W240 VanDerWaalsContact CB-CE2 3.46Å; A222-W240 HydrophobicContact CB-CH2 4.12Å; A222-W240 HydrophobicContact CB-CZ2 3.45Å; A222-W240 VanDerWaalsContact CB-CZ2 3.45Å; I227-W240 HydrophobicContact CD1-CH2 4.01Å; I227-W240 HydrophobicContact CD1-CZ2 4.21Å; I227-W240 HydrophobicContact CG1-CH2 4.46Å; I227-W240 HydrophobicContact CG1-CZ2 4.16Å; I227-W240 WeakPolarHBondContact O-CZ2 3.4Å; Y228-W240 AromaticContact CD2-CD1 3.39Å; Y228-W240 HydrophobicContact CD2-CG 4.49Å; Y228-W240 AromaticContact CD2-NE1 3.26Å; Y228-W240 VanDerWaalsContact CD2-NE1 3.26Å; Y228-W240 AromaticContact CE2-CD1 3.35Å; Y228-W240 HydrophobicContact CE2-CG 4.38Å; Y228-W240 AromaticContact CE2-NE1 3.76Å; L235-W240 HydrophobicContact CB-CD2 4.08Å; L235-W240 HydrophobicContact CB-CG 4.42Å; L235-W240 HydrophobicContact CB-CH2 4.42Å; L235-W240 HydrophobicContact CB-CZ2 3.73Å; L235-W240 HydrophobicContact CD1-CD2 4.12Å; L235-W240 HydrophobicContact CD1-CE3 3.96Å; L235-W240 HydrophobicContact CD1-CH2 3.8Å; L235-W240 HydrophobicContact CD1-CZ2 3.97Å; L235-W240 HydrophobicContact CD1-CZ3 3.77Å; L235-W240 HydrophobicContact CG-CH2 4.33Å; L235-W240 HydrophobicContact CG-CZ2 4.09Å; L235-W240 PolarHBondContact O-NE1 3.3Å; L235-W240 VanDerWaalsContact O-NE1 3.08Å; G236-W240 PolarHBondContact O-N 2.83Å; G236-W240 VanDerWaalsContact O-N 3.16Å; G237-W240 PolarHBondContact O-N 3.15Å; W240-M242 VanDerWaalsContact C-N 3.3Å; W240-M242 PolarHBondContact O-N 3.35Å; W240-L243 HydrophobicContact CE3-CD1 4.01Å; W240-L243 HydrophobicContact CZ3-CD1 3.98Å; W240-L243 PolarHBondContact O-N 3.16Å; W240-V244 WeakPolarHBondContact O-CG2 3.31Å; W240-V244 PolarHBondContact O-N 3.23Å; W240-F263 AromaticContact CE3-CZ 3.88Å; W240-F263 HydrophobicContact CE3-CZ 3.88Å; W240-F263 AromaticContact CZ3-CZ 3.79Å; W240-F263 HydrophobicContact CZ3-CZ 3.79Å; W240-F332 HydrophobicContact CH2-CE1 4.12Å; W240-F332 HydrophobicContact CH2-CZ 4.12Å; W240-F332 AromaticContact CZ3-CE1 3.78Å; W240-F332 HydrophobicContact CZ3-CE1 3.78Å; W240-F332 AromaticContact CZ3-CZ 3.87Å; W240-F332 HydrophobicContact CZ3-CZ 3.87Å |
| 241 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.9 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L96 I201 F211 L215 G237 V238 A245 | L96-A241 HydrophobicContact CD1-CB 3.84Å; I201-A241 HydrophobicContact CD1-CB 4.34Å; F211-A241 HydrophobicContact CZ-CB 4.43Å; L215-A241 HydrophobicContact CD1-CB 4.34Å; L215-A241 HydrophobicContact CD2-CB 3.65Å; G237-A241 WeakPolarHBondContact O-CB 3.46Å; G237-A241 PolarHBondContact O-N 3.35Å; V238-A241 WeakPolarHBondContact O-CB 3.45Å; V238-A241 PolarHBondContact O-N 3.39Å; A241-A245 VanDerWaalsContact O-CB 3.23Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 3.28Å |
| 242 | M | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -70.6 | -37.8 | 177.7 | -67.8 | -169.7 | -72.2 | 0 | 0 | 113.3 | I201 V238 S239 W240 A245 R246 L278 I306 T308 S316 | I201-M242 HydrophobicContact CD1-CG 3.64Å; I201-M242 HydrophobicContact CD1-SD 4.49Å; I201-M242 HydrophobicContact CG1-CG 4.08Å; V238-M242 HydrophobicContact CG2-CE 4.32Å; V238-M242 WeakPolarHBondContact O-CG 3.29Å; V238-M242 PolarHBondContact O-N 3.42Å; S239-M242 PolarHBondContact O-N 3.1Å; W240-M242 VanDerWaalsContact C-N 3.3Å; W240-M242 PolarHBondContact O-N 3.35Å; M242-A245 PolarHBondContact O-N 2.9Å; M242-R246 WeakPolarHBondContact O-CB 3.49Å; M242-R246 PolarHBondContact O-N 2.69Å; M242-L278 HydrophobicContact CB-CD1 4.09Å; M242-L278 HydrophobicContact CG-CD1 3.83Å; M242-L278 HydrophobicContact SD-CD1 4.48Å; M242-I306 HydrophobicContact CB-CG2 3.73Å; M242-I306 HydrophobicContact CE-CG2 3.79Å; M242-I306 HydrophobicContact SD-CG2 4.39Å; M242-T308 HydrophobicContact CE-CG2 4.07Å; M242-T308 HydrophobicContact SD-CG2 4.4Å; M242-S316 WeakPolarHBondContact CE-OG 3.16Å |
| 243 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 173.1 | -66.5 | -170.9 | 0 | 0 | 0 | 112 | L235 S239 W240 R246 T247 F263 F267 W272 V276 I306 F332 | L235-L243 HydrophobicContact CD1-CD1 3.62Å; S239-L243 WeakPolarHBondContact O-CG 3.44Å; S239-L243 PolarHBondContact O-N 3.31Å; S239-L243 VanDerWaalsContact O-N 3.08Å; W240-L243 HydrophobicContact CE3-CD1 4.01Å; W240-L243 HydrophobicContact CZ3-CD1 3.98Å; W240-L243 PolarHBondContact O-N 3.16Å; L243-R246 PolarHBondContact O-N 2.87Å; L243-T247 PolarHBondContact O-N 2.86Å; L243-T247 PolarHBondContact O-OG1 3.01Å; L243-F263 HydrophobicContact CB-CD2 4.46Å; L243-F263 HydrophobicContact CB-CE2 3.62Å; L243-F263 HydrophobicContact CB-CZ 4.4Å; L243-F263 HydrophobicContact CD1-CE2 4.37Å; L243-F263 HydrophobicContact CD1-CZ 4.38Å; L243-F267 HydrophobicContact CB-CD2 4.27Å; L243-F267 HydrophobicContact CB-CE2 3.69Å; L243-F267 HydrophobicContact CB-CZ 3.92Å; L243-F267 HydrophobicContact CD1-CD2 4.45Å; L243-F267 HydrophobicContact CD2-CD1 4.09Å; L243-F267 HydrophobicContact CD2-CE1 3.67Å; L243-F267 HydrophobicContact CD2-CE2 4.2Å; L243-F267 HydrophobicContact CD2-CZ 3.73Å; L243-F267 HydrophobicContact CG-CE2 4.37Å; L243-F267 HydrophobicContact CG-CZ 4.35Å; L243-F267 VanDerWaalsContact O-CE2 3.31Å; L243-F267 WeakPolarHBondContact O-CE2 3.36Å; L243-F267 WeakPolarHBondContact O-CZ 3.23Å; L243-W272 HydrophobicContact CD2-CH2 4.34Å; L243-V276 HydrophobicContact CD2-CB 4.33Å; L243-V276 HydrophobicContact CD2-CG1 4.11Å; L243-V276 HydrophobicContact CD2-CG2 3.93Å; L243-I306 HydrophobicContact CD1-CD1 4.04Å; L243-I306 HydrophobicContact CD2-CD1 3.5Å; L243-I306 HydrophobicContact CD2-CG1 3.98Å; L243-I306 HydrophobicContact CD2-CG2 4.4Å; L243-I306 HydrophobicContact CG-CD1 3.71Å; L243-F332 HydrophobicContact CD1-CZ 4.18Å |
| 244 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.2 | -43.8 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 111 | F211 T214 L215 V218 W240 R246 T247 C248 F263 | F211-V244 HydrophobicContact CD2-CG1 3.89Å; F211-V244 HydrophobicContact CE2-CB 4.32Å; F211-V244 HydrophobicContact CE2-CG1 4.14Å; T214-V244 HydrophobicContact CG2-CG1 3.61Å; L215-V244 HydrophobicContact CB-CB 4.44Å; L215-V244 HydrophobicContact CB-CG1 4.13Å; L215-V244 HydrophobicContact CB-CG2 4.5Å; L215-V244 HydrophobicContact CD1-CB 4.29Å; L215-V244 HydrophobicContact CD1-CG2 3.96Å; V218-V244 HydrophobicContact CB-CG2 3.83Å; V218-V244 HydrophobicContact CG1-CG2 3.89Å; V218-V244 HydrophobicContact CG2-CG2 3.83Å; W240-V244 WeakPolarHBondContact O-CG2 3.31Å; W240-V244 PolarHBondContact O-N 3.23Å; V244-R246 VanDerWaalsContact C-N 3.3Å; V244-R246 PolarHBondContact O-N 2.71Å; V244-T247 WeakPolarHBondContact O-CA 3.18Å; V244-T247 WeakPolarHBondContact O-CB 3.26Å; V244-T247 PolarHBondContact O-N 3.36Å; V244-C248 PolarHBondContact O-N 2.76Å; V244-C248 PolarHBondContact O-SG 2.83Å; V244-F263 HydrophobicContact CG2-CD2 3.85Å; V244-F263 HydrophobicContact CG2-CE2 3.74Å |
| 245 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | I201 V205 F211 A241 M242 T247 C248 Q249 L278 | I201-A245 HydrophobicContact CG2-CB 4.17Å; V205-A245 HydrophobicContact CG1-CB 3.56Å; F211-A245 HydrophobicContact CD2-CB 4.33Å; F211-A245 HydrophobicContact CE2-CB 3.86Å; A241-A245 VanDerWaalsContact O-CB 3.23Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 3.28Å; M242-A245 PolarHBondContact O-N 2.9Å; A245-T247 VanDerWaalsContact C-N 3.29Å; A245-T247 PolarHBondContact O-N 2.79Å; A245-C248 WeakPolarHBondContact O-CB 3.1Å; A245-C248 PolarHBondContact O-N 3.16Å; A245-C248 VanDerWaalsContact O-N 3.12Å; A245-Q249 WeakPolarHBondContact O-CG 3.33Å; A245-Q249 PolarHBondContact O-N 3.1Å; A245-L278 HydrophobicContact CB-CD1 3.99Å; A245-L278 HydrophobicContact CB-CD2 3.8Å |
| 246 | R | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 11.7 Ų | 11.7 | 3% | 0.03 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 176.3 | -173.6 | 61.1 | 176.8 | 139 | 7.2 | 112.1 | T14 M242 L243 V244 Q249 L250 F267 V276 L277 L278 | T14-R246 PolarHBondContact OG1-NH2 3.15Å; M242-R246 WeakPolarHBondContact O-CB 3.49Å; M242-R246 PolarHBondContact O-N 2.69Å; L243-R246 PolarHBondContact O-N 2.87Å; V244-R246 VanDerWaalsContact C-N 3.3Å; V244-R246 PolarHBondContact O-N 2.71Å; R246-Q249 VanDerWaalsContact CD-OE1 3.3Å; R246-Q249 PolarHBondContact O-N 3.28Å; R246-L250 HydrophobicContact CG-CD1 4.41Å; R246-L250 WeakPolarHBondContact O-CG 3.43Å; R246-L250 PolarHBondContact O-N 2.91Å; R246-F267 HydrophobicContact CB-CZ 4.43Å; R246-V276 HydrophobicContact CB-CG1 4.01Å; R246-V276 HydrophobicContact CG-CG1 4.03Å; R246-L277 WeakPolarHBondContact CD-O 3.48Å; R246-L278 HydrophobicContact CB-CD2 3.81Å |
| 247 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 173.5 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | L243 V244 A245 Q249 L250 Y251 L259 K262 F263 F267 | L243-T247 PolarHBondContact O-N 2.86Å; L243-T247 PolarHBondContact O-OG1 3.01Å; V244-T247 WeakPolarHBondContact O-CA 3.18Å; V244-T247 WeakPolarHBondContact O-CB 3.26Å; V244-T247 PolarHBondContact O-N 3.36Å; A245-T247 VanDerWaalsContact C-N 3.29Å; A245-T247 PolarHBondContact O-N 2.79Å; T247-Q249 VanDerWaalsContact C-N 3.33Å; T247-Q249 PolarHBondContact O-N 3.14Å; T247-L250 PolarHBondContact O-N 3.18Å; T247-Y251 HydrophobicContact CG2-CD2 4.35Å; T247-Y251 PolarHBondContact O-N 2.89Å; T247-Y251 VanDerWaalsContact O-N 3.16Å; T247-L259 HydrophobicContact CG2-CD2 4.08Å; T247-K262 HydrophobicContact CG2-CB 3.89Å; T247-F263 HydrophobicContact CG2-CB 4.1Å; T247-F267 WeakPolarHBondContact OG1-CE2 3.33Å |
| 248 | C | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 11.4 Ų | 11.4 | 3% | 0.034 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | V205 V244 A245 L250 Y251 P252 | V205-C248 HydrophobicContact CG1-CB 4.44Å; V244-C248 PolarHBondContact O-N 2.76Å; V244-C248 PolarHBondContact O-SG 2.83Å; A245-C248 WeakPolarHBondContact O-CB 3.1Å; A245-C248 PolarHBondContact O-N 3.16Å; A245-C248 VanDerWaalsContact O-N 3.12Å; C248-L250 VanDerWaalsContact C-N 3.33Å; C248-L250 PolarHBondContact O-N 2.72Å; C248-Y251 CarbonylContact O-C 3.58Å; C248-Y251 VanDerWaalsContact O-C 3.28Å; C248-Y251 PolarHBondContact O-N 3.13Å; C248-P252 VanDerWaalsContact O-CA 3.27Å; C248-P252 WeakPolarHBondContact O-CA 3.35Å |
| 249 | Q | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63 | -37.8 | 174.5 | -63.5 | -177.9 | -19.4 | 0 | 0 | 112.9 | L204 A245 R246 T247 Y251 L278 | L204-Q249 WeakPolarHBondContact O-CG 3.4Å; L204-Q249 PolarHBondContact O-NE2 2.77Å; A245-Q249 WeakPolarHBondContact O-CG 3.33Å; A245-Q249 PolarHBondContact O-N 3.1Å; R246-Q249 VanDerWaalsContact CD-OE1 3.3Å; R246-Q249 PolarHBondContact O-N 3.28Å; T247-Q249 VanDerWaalsContact C-N 3.33Å; T247-Q249 PolarHBondContact O-N 3.14Å; Q249-Y251 VanDerWaalsContact C-N 3.31Å; Q249-L278 PolarHBondContact NE2-O 3.25Å |
| 250 | L | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 9 Ų | 9 | 4% | 0.042 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -77.2 | -18.8 | -178.9 | -63.8 | 169.2 | 0 | 0 | 0 | 112.9 | I17 S18 R246 T247 C248 V266 | I17-L250 HydrophobicContact CD1-CB 4.08Å; I17-L250 HydrophobicContact CD1-CD1 4.09Å; I17-L250 HydrophobicContact CD1-CD2 4.04Å; I17-L250 HydrophobicContact CD1-CG 4.28Å; I17-L250 HydrophobicContact CG1-CB 4.25Å; I17-L250 HydrophobicContact CG1-CD2 4.03Å; I17-L250 PolarHBondContact N-O 3.39Å; S18-L250 PolarHBondContact N-O 3.28Å; R246-L250 HydrophobicContact CG-CD1 4.41Å; R246-L250 WeakPolarHBondContact O-CG 3.43Å; R246-L250 PolarHBondContact O-N 2.91Å; T247-L250 PolarHBondContact O-N 3.18Å; C248-L250 VanDerWaalsContact C-N 3.33Å; C248-L250 PolarHBondContact O-N 2.72Å; L250-V266 HydrophobicContact CD1-CG1 4.27Å; L250-V266 HydrophobicContact CD1-CG2 4.1Å |
| 251 | Y | 98.2 | Very high | 98.5 | Very high | 22 Ų | 22 | 9.9 Ų | 9.9 | 9% | 0.086 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -140.8 | 62.9 | -176.6 | -61.3 | -79 | 0 | 0 | 0 | 111.3 | I17 T247 C248 Q249 N253 A254 K262 V266 | I17-Y251 HydrophobicContact CB-CE1 3.92Å; I17-Y251 HydrophobicContact CB-CE2 4.48Å; I17-Y251 HydrophobicContact CD1-CE2 4.26Å; I17-Y251 HydrophobicContact CG2-CE1 3.93Å; I17-Y251 WeakPolarHBondContact CG2-OH 3.48Å; T247-Y251 HydrophobicContact CG2-CD2 4.35Å; T247-Y251 PolarHBondContact O-N 2.89Å; T247-Y251 VanDerWaalsContact O-N 3.16Å; C248-Y251 CarbonylContact O-C 3.58Å; C248-Y251 VanDerWaalsContact O-C 3.28Å; C248-Y251 PolarHBondContact O-N 3.13Å; Q249-Y251 VanDerWaalsContact C-N 3.31Å; Y251-N253 PolarHBondContact O-N 3.21Å; Y251-N253 VanDerWaalsContact O-N 3.11Å; Y251-A254 PolarHBondContact O-N 3.39Å; Y251-K262 HydrophobicContact CD1-CG 4.07Å; Y251-K262 HydrophobicContact CD2-CB 3.62Å; Y251-K262 HydrophobicContact CD2-CG 3.75Å; Y251-K262 HydrophobicContact CE1-CD 4.02Å; Y251-K262 HydrophobicContact CE1-CG 4Å; Y251-K262 HydrophobicContact CE2-CB 3.55Å; Y251-K262 HydrophobicContact CE2-CD 4.09Å; Y251-K262 HydrophobicContact CE2-CG 3.68Å; Y251-K262 HydrophobicContact CG-CB 4.28Å; Y251-K262 HydrophobicContact CG-CG 3.95Å; Y251-V266 HydrophobicContact CE2-CG2 4.22Å |
| 252 | P | 97.6 | Very high | 98.5 | Very high | 25 Ų | 25 | 12.2 Ų | 12.2 | 16% | 0.162 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.7 | -165.6 | 23.7 | -36.4 | 0 | 0 | 0 | 115.3 | P16 L19 P206 C248 | P16-P252 HydrophobicContact CB-CG 4.16Å; P16-P252 HydrophobicContact CG-CG 4.06Å; L19-P252 HydrophobicContact CD2-CG 3.57Å; P206-P252 HydrophobicContact CB-CB 3.77Å; P206-P252 HydrophobicContact CG-CB 3.62Å; C248-P252 VanDerWaalsContact O-CA 3.27Å; C248-P252 WeakPolarHBondContact O-CA 3.35Å |
| 253 | N | 97.1 | Very high | 98.5 | Very high | 72 Ų | 72 | 12.1 Ų | 12.1 | 39% | 0.385 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 2.8 | -174.7 | -60.6 | -15.8 | 0 | 0 | 0 | 113.2 | L19 P22 Y251 | L19-N253 PolarHBondContact O-ND2 3.06Å; P22-N253 WeakPolarHBondContact CD-O 3.31Å; P22-N253 WeakPolarHBondContact CG-O 3.23Å; Y251-N253 PolarHBondContact O-N 3.21Å; Y251-N253 VanDerWaalsContact O-N 3.11Å |
| 254 | A | 98 | Very high | 98.5 | Very high | 12 Ų | 12 | 12.1 Ų | 12.1 | 10% | 0.099 | 7% | 0.065 | C | C | . | . | trans | -83.8 | 146.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y251 T258 L259 | Y251-A254 PolarHBondContact O-N 3.39Å; A254-T258 HydrophobicContact CB-CG2 4.22Å; A254-L259 HydrophobicContact CB-CD2 4.09Å; A254-L259 HydrophobicContact CB-CG 4.07Å; A254-L259 WeakPolarHBondContact O-CD1 3.16Å | ||
| 255 | A | 98.3 | Very high | 98.5 | Very high | 8 Ų | 8 | 13.9 Ų | 13.9 | 7% | 0.066 | 7% | 0.074 | C | C | . | . | trans | -74.7 | 165.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P22 D26 S257 T258 L259 | P22-A255 HydrophobicContact CB-CB 3.83Å; P22-A255 HydrophobicContact CG-CB 3.93Å; D26-A255 HydrophobicContact CB-CB 4.15Å; A255-S257 PolarHBondContact O-N 3.46Å; A255-T258 WeakPolarHBondContact O-CB 3.26Å; A255-T258 PolarHBondContact O-N 2.9Å; A255-T258 VanDerWaalsContact O-N 3.13Å; A255-L259 WeakPolarHBondContact O-CG 3.34Å; A255-L259 PolarHBondContact O-N 2.85Å | ||
| 256 | A | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -36.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T30 T210 L213 T258 L259 V260 | T30-A256 HydrophobicContact CG2-CB 4.08Å; T210-A256 HydrophobicContact CG2-CB 3.89Å; T210-A256 VanDerWaalsContact CG2-N 3.29Å; L213-A256 HydrophobicContact CB-CB 4.07Å; L213-A256 HydrophobicContact CD2-CB 3.64Å; L213-A256 HydrophobicContact CG-CB 3.75Å; A256-T258 PolarHBondContact O-N 2.86Å; A256-L259 PolarHBondContact O-N 3.48Å; A256-V260 WeakPolarHBondContact O-CG2 3.48Å; A256-V260 PolarHBondContact O-N 2.69Å |
| 257 | S | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.2 | -49.9 | 171 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | D26 T30 A255 H261 | D26-S257 PolarHBondContact O-OG 2.91Å; T30-S257 WeakPolarHBondContact OG1-CB 3.29Å; T30-S257 PolarHBondContact OG1-N 2.75Å; T30-S257 PolarHBondContact OG1-OG 2.81Å; A255-S257 PolarHBondContact O-N 3.46Å; S257-H261 PolarHBondContact O-N 3.41Å |
| 258 | T | 98.5 | Very high | 98.4 | Very high | 22 Ų | 22 | 15.2 Ų | 15.2 | 14% | 0.135 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 177.3 | -32.8 | 0 | 0 | 0 | 0 | 110.9 | D26 A254 A255 A256 H261 K262 | D26-T258 PolarHBondContact OD1-OG1 3.3Å; A254-T258 HydrophobicContact CB-CG2 4.22Å; A255-T258 WeakPolarHBondContact O-CB 3.26Å; A255-T258 PolarHBondContact O-N 2.9Å; A255-T258 VanDerWaalsContact O-N 3.13Å; A256-T258 PolarHBondContact O-N 2.86Å; T258-H261 WeakPolarHBondContact O-CB 3.48Å; T258-H261 PolarHBondContact O-N 2.85Å; T258-K262 WeakPolarHBondContact O-CG 3.25Å; T258-K262 PolarHBondContact O-N 3.44Å |
| 259 | L | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 179.6 | -74.3 | 172 | 0 | 0 | 0 | 112.8 | T210 T214 T247 A254 A255 A256 H261 K262 F263 | T210-L259 HydrophobicContact CG2-CD1 3.77Å; T214-L259 HydrophobicContact CG2-CB 3.81Å; T247-L259 HydrophobicContact CG2-CD2 4.08Å; A254-L259 HydrophobicContact CB-CD2 4.09Å; A254-L259 HydrophobicContact CB-CG 4.07Å; A254-L259 WeakPolarHBondContact O-CD1 3.16Å; A255-L259 WeakPolarHBondContact O-CG 3.34Å; A255-L259 PolarHBondContact O-N 2.85Å; A256-L259 PolarHBondContact O-N 3.48Å; L259-H261 VanDerWaalsContact C-N 3.32Å; L259-H261 PolarHBondContact O-N 2.78Å; L259-K262 PolarHBondContact O-N 3.29Å; L259-F263 VanDerWaalsContact O-CB 3.31Å; L259-F263 WeakPolarHBondContact O-CB 3.45Å; L259-F263 PolarHBondContact O-N 2.92Å |
| 260 | V | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | L33 T214 A217 A256 F263 F264 T339 W349 L352 | L33-V260 HydrophobicContact CD2-CG2 3.95Å; T214-V260 HydrophobicContact CG2-CG2 3.87Å; A217-V260 HydrophobicContact CB-CG2 3.81Å; A256-V260 WeakPolarHBondContact O-CG2 3.48Å; A256-V260 PolarHBondContact O-N 2.69Å; V260-F263 WeakPolarHBondContact O-CB 3.43Å; V260-F264 HydrophobicContact CG1-CD2 4.38Å; V260-F264 HydrophobicContact CG1-CE2 3.75Å; V260-F264 WeakPolarHBondContact O-CD2 3.43Å; V260-F264 PolarHBondContact O-N 2.9Å; V260-T339 HydrophobicContact CG1-CG2 4.29Å; V260-W349 HydrophobicContact CB-CH2 4.28Å; V260-W349 HydrophobicContact CB-CZ3 4.25Å; V260-W349 HydrophobicContact CG1-CH2 4.28Å; V260-W349 HydrophobicContact CG1-CZ3 3.77Å; V260-L352 HydrophobicContact CG1-CD2 3.93Å |
| 261 | H | 98.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 171.2 | 173.7 | -73.7 | 0 | 0 | 0 | 112.3 | S257 T258 L259 F263 F264 L265 L343 | S257-H261 PolarHBondContact O-N 3.41Å; T258-H261 WeakPolarHBondContact O-CB 3.48Å; T258-H261 PolarHBondContact O-N 2.85Å; L259-H261 VanDerWaalsContact C-N 3.32Å; L259-H261 PolarHBondContact O-N 2.78Å; H261-F263 VanDerWaalsContact C-N 3.29Å; H261-F263 PolarHBondContact O-N 3.48Å; H261-F264 PolarHBondContact O-N 3.23Å; H261-L265 WeakPolarHBondContact NE2-CD2 3.48Å; H261-L265 PolarHBondContact O-N 2.85Å; H261-L343 HydrophobicContact CB-CD1 3.69Å |
| 262 | K | 98.8 | Very high | 98.3 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 21% | 0.213 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -31.2 | -179.4 | -66.2 | -43.9 | 174.8 | -155.7 | 0 | 113 | T247 Y251 T258 L259 L265 V266 | T247-K262 HydrophobicContact CG2-CB 3.89Å; Y251-K262 HydrophobicContact CD1-CG 4.07Å; Y251-K262 HydrophobicContact CD2-CB 3.62Å; Y251-K262 HydrophobicContact CD2-CG 3.75Å; Y251-K262 HydrophobicContact CE1-CD 4.02Å; Y251-K262 HydrophobicContact CE1-CG 4Å; Y251-K262 HydrophobicContact CE2-CB 3.55Å; Y251-K262 HydrophobicContact CE2-CD 4.09Å; Y251-K262 HydrophobicContact CE2-CG 3.68Å; Y251-K262 HydrophobicContact CG-CB 4.28Å; Y251-K262 HydrophobicContact CG-CG 3.95Å; T258-K262 WeakPolarHBondContact O-CG 3.25Å; T258-K262 PolarHBondContact O-N 3.44Å; L259-K262 PolarHBondContact O-N 3.29Å; K262-L265 HydrophobicContact CD-CD2 3.95Å; K262-L265 PolarHBondContact O-N 3.32Å; K262-V266 WeakPolarHBondContact O-CB 3.34Å; K262-V266 VanDerWaalsContact O-CG2 3.28Å; K262-V266 WeakPolarHBondContact O-CG2 3.47Å; K262-V266 PolarHBondContact O-N 2.85Å |
| 263 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.1 | -51.7 | 172.5 | 171.9 | -89.8 | 0 | 0 | 0 | 110.8 | V218 W221 W240 L243 V244 T247 L259 V260 H261 V266 F267 F332 | V218-F263 HydrophobicContact CB-CZ 4.42Å; V218-F263 HydrophobicContact CG1-CE1 3.86Å; V218-F263 HydrophobicContact CG1-CE2 3.81Å; V218-F263 HydrophobicContact CG1-CZ 3.39Å; V218-F263 HydrophobicContact CG2-CD1 3.94Å; V218-F263 HydrophobicContact CG2-CD2 4.18Å; V218-F263 HydrophobicContact CG2-CE1 3.97Å; V218-F263 HydrophobicContact CG2-CE2 4.18Å; V218-F263 HydrophobicContact CG2-CG 4.05Å; V218-F263 HydrophobicContact CG2-CZ 4.09Å; W221-F263 HydrophobicContact CZ3-CE1 4.13Å; W240-F263 AromaticContact CE3-CZ 3.88Å; W240-F263 HydrophobicContact CE3-CZ 3.88Å; W240-F263 AromaticContact CZ3-CZ 3.79Å; W240-F263 HydrophobicContact CZ3-CZ 3.79Å; L243-F263 HydrophobicContact CB-CD2 4.46Å; L243-F263 HydrophobicContact CB-CE2 3.62Å; L243-F263 HydrophobicContact CB-CZ 4.4Å; L243-F263 HydrophobicContact CD1-CE2 4.37Å; L243-F263 HydrophobicContact CD1-CZ 4.38Å; V244-F263 HydrophobicContact CG2-CD2 3.85Å; V244-F263 HydrophobicContact CG2-CE2 3.74Å; T247-F263 HydrophobicContact CG2-CB 4.1Å; L259-F263 VanDerWaalsContact O-CB 3.31Å; L259-F263 WeakPolarHBondContact O-CB 3.45Å; L259-F263 PolarHBondContact O-N 2.92Å; V260-F263 WeakPolarHBondContact O-CB 3.43Å; H261-F263 VanDerWaalsContact C-N 3.29Å; H261-F263 PolarHBondContact O-N 3.48Å; F263-V266 PolarHBondContact O-N 2.82Å; F263-F267 AromaticContact CD2-CD2 3.75Å; F263-F267 HydrophobicContact CD2-CD2 3.75Å; F263-F267 AromaticContact CD2-CE2 3.71Å; F263-F267 HydrophobicContact CD2-CE2 3.71Å; F263-F267 AromaticContact CE2-CD2 3.83Å; F263-F267 HydrophobicContact CE2-CD2 3.83Å; F263-F267 AromaticContact CE2-CE2 3.91Å; F263-F267 HydrophobicContact CE2-CE2 3.91Å; F263-F267 HydrophobicContact CG-CD2 4.16Å; F263-F267 HydrophobicContact CG-CE2 4.44Å; F263-F267 HydrophobicContact CZ-CD2 4.27Å; F263-F267 WeakPolarHBondContact O-CD2 3.28Å; F263-F267 PolarHBondContact O-N 2.79Å; F263-F332 HydrophobicContact CE1-CD1 4.24Å; F263-F332 AromaticContact CE1-CE1 3.83Å; F263-F332 HydrophobicContact CE1-CE1 3.83Å; F263-F332 HydrophobicContact CZ-CE1 4Å |
| 264 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | 176.4 | -62.6 | -57.2 | 0 | 0 | 0 | 112.6 | W221 V260 H261 V266 S268 F332 G335 L336 T339 L352 | W221-F264 AromaticContact CD2-CE1 3.8Å; W221-F264 HydrophobicContact CD2-CE1 3.8Å; W221-F264 AromaticContact CD2-CZ 3.73Å; W221-F264 HydrophobicContact CD2-CZ 3.73Å; W221-F264 AromaticContact CE2-CE1 3.51Å; W221-F264 AromaticContact CE2-CZ 3.69Å; W221-F264 AromaticContact CE3-CE1 3.98Å; W221-F264 HydrophobicContact CE3-CE1 3.98Å; W221-F264 HydrophobicContact CE3-CZ 4.19Å; W221-F264 HydrophobicContact CG-CZ 4.04Å; W221-F264 AromaticContact CH2-CE1 3.7Å; W221-F264 HydrophobicContact CH2-CE1 3.7Å; W221-F264 HydrophobicContact CZ2-CD1 4.41Å; W221-F264 AromaticContact CZ2-CE1 3.49Å; W221-F264 HydrophobicContact CZ2-CE1 3.49Å; W221-F264 VanDerWaalsContact CZ2-CE1 3.49Å; W221-F264 HydrophobicContact CZ2-CZ 4.16Å; W221-F264 AromaticContact CZ3-CE1 3.93Å; W221-F264 HydrophobicContact CZ3-CE1 3.93Å; W221-F264 AromaticContact NE1-CZ 3.85Å; V260-F264 HydrophobicContact CG1-CD2 4.38Å; V260-F264 HydrophobicContact CG1-CE2 3.75Å; V260-F264 WeakPolarHBondContact O-CD2 3.43Å; V260-F264 PolarHBondContact O-N 2.9Å; H261-F264 PolarHBondContact O-N 3.23Å; F264-V266 VanDerWaalsContact C-N 3.3Å; F264-V266 PolarHBondContact O-N 3.39Å; F264-S268 WeakPolarHBondContact O-CB 3.33Å; F264-S268 PolarHBondContact O-N 3.42Å; F264-S268 PolarHBondContact O-OG 2.88Å; F264-F332 HydrophobicContact CD1-CD1 4.17Å; F264-F332 HydrophobicContact CE1-CD1 4.45Å; F264-G335 WeakPolarHBondContact CD2-O 3.37Å; F264-L336 HydrophobicContact CB-CB 3.86Å; F264-L336 HydrophobicContact CB-CD1 4.49Å; F264-T339 HydrophobicContact CD2-CG2 3.73Å; F264-T339 HydrophobicContact CE2-CG2 3.79Å; F264-L352 HydrophobicContact CE2-CD1 3.84Å; F264-L352 HydrophobicContact CE2-CD2 3.98Å; F264-L352 HydrophobicContact CZ-CD1 3.94Å; F264-L352 HydrophobicContact CZ-CD2 4.4Å |
| 265 | L | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.6 | -38.2 | 177.6 | -179.2 | 61.7 | 0 | 0 | 0 | 112.7 | H261 K262 K269 L336 | H261-L265 WeakPolarHBondContact NE2-CD2 3.48Å; H261-L265 PolarHBondContact O-N 2.85Å; K262-L265 HydrophobicContact CD-CD2 3.95Å; K262-L265 PolarHBondContact O-N 3.32Å; L265-K269 HydrophobicContact CD1-CD 4.22Å; L265-L336 HydrophobicContact CB-CD1 3.98Å; L265-L336 HydrophobicContact CD1-CD1 4.24Å; L265-L336 HydrophobicContact CD1-CD2 4.09Å |
| 266 | V | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.1 | -55.7 | 177 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L250 Y251 K262 F263 F264 S268 K269 W270 | L250-V266 HydrophobicContact CD1-CG1 4.27Å; L250-V266 HydrophobicContact CD1-CG2 4.1Å; Y251-V266 HydrophobicContact CE2-CG2 4.22Å; K262-V266 WeakPolarHBondContact O-CB 3.34Å; K262-V266 VanDerWaalsContact O-CG2 3.28Å; K262-V266 WeakPolarHBondContact O-CG2 3.47Å; K262-V266 PolarHBondContact O-N 2.85Å; F263-V266 PolarHBondContact O-N 2.82Å; F264-V266 VanDerWaalsContact C-N 3.3Å; F264-V266 PolarHBondContact O-N 3.39Å; V266-S268 PolarHBondContact O-N 2.82Å; V266-K269 CarbonylContact O-C 3.58Å; V266-K269 PolarHBondContact O-N 3.44Å; V266-K269 VanDerWaalsContact O-N 3.16Å; V266-W270 HydrophobicContact CG1-CE3 3.85Å; V266-W270 HydrophobicContact CG1-CZ3 4.3Å; V266-W270 PolarHBondContact O-N 3.01Å |
| 267 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -82.1 | -16 | -169.1 | -59.8 | -59.3 | 0 | 0 | 0 | 115.5 | L243 R246 T247 F263 K269 W270 W272 V276 F332 | L243-F267 HydrophobicContact CB-CD2 4.27Å; L243-F267 HydrophobicContact CB-CE2 3.69Å; L243-F267 HydrophobicContact CB-CZ 3.92Å; L243-F267 HydrophobicContact CD1-CD2 4.45Å; L243-F267 HydrophobicContact CD2-CD1 4.09Å; L243-F267 HydrophobicContact CD2-CE1 3.67Å; L243-F267 HydrophobicContact CD2-CE2 4.2Å; L243-F267 HydrophobicContact CD2-CZ 3.73Å; L243-F267 HydrophobicContact CG-CE2 4.37Å; L243-F267 HydrophobicContact CG-CZ 4.35Å; L243-F267 VanDerWaalsContact O-CE2 3.31Å; L243-F267 WeakPolarHBondContact O-CE2 3.36Å; L243-F267 WeakPolarHBondContact O-CZ 3.23Å; R246-F267 HydrophobicContact CB-CZ 4.43Å; T247-F267 WeakPolarHBondContact OG1-CE2 3.33Å; F263-F267 AromaticContact CD2-CD2 3.75Å; F263-F267 HydrophobicContact CD2-CD2 3.75Å; F263-F267 AromaticContact CD2-CE2 3.71Å; F263-F267 HydrophobicContact CD2-CE2 3.71Å; F263-F267 AromaticContact CE2-CD2 3.83Å; F263-F267 HydrophobicContact CE2-CD2 3.83Å; F263-F267 AromaticContact CE2-CE2 3.91Å; F263-F267 HydrophobicContact CE2-CE2 3.91Å; F263-F267 HydrophobicContact CG-CD2 4.16Å; F263-F267 HydrophobicContact CG-CE2 4.44Å; F263-F267 HydrophobicContact CZ-CD2 4.27Å; F263-F267 WeakPolarHBondContact O-CD2 3.28Å; F263-F267 PolarHBondContact O-N 2.79Å; F267-K269 VanDerWaalsContact C-N 3.29Å; F267-W270 HydrophobicContact CD1-CB 4.2Å; F267-W270 HydrophobicContact CD1-CD2 4.4Å; F267-W270 HydrophobicContact CD1-CE3 4.38Å; F267-W270 HydrophobicContact CD1-CG 4.34Å; F267-W270 HydrophobicContact CE1-CD2 4.39Å; F267-W270 HydrophobicContact CE1-CE3 4.13Å; F267-W272 HydrophobicContact CD1-CZ2 4.17Å; F267-V276 HydrophobicContact CE1-CG2 4.03Å; F267-F332 HydrophobicContact CB-CD1 4.32Å; F267-F332 HydrophobicContact CB-CD2 3.99Å; F267-F332 HydrophobicContact CB-CE1 4.26Å; F267-F332 HydrophobicContact CB-CE2 3.95Å; F267-F332 HydrophobicContact CB-CG 4.21Å; F267-F332 HydrophobicContact CB-CZ 4.09Å |
| 268 | S | 98.1 | Very high | 98.2 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -19.4 | 165.5 | 64 | 0 | 0 | 0 | 0 | 113.6 | F264 V266 | F264-S268 WeakPolarHBondContact O-CB 3.33Å; F264-S268 PolarHBondContact O-N 3.42Å; F264-S268 PolarHBondContact O-OG 2.88Å; V266-S268 PolarHBondContact O-N 2.82Å |
| 269 | K | 97.8 | Very high | 98.1 | Very high | 150 Ų | 150 | 37.6 Ų | 37.6 | 65% | 0.652 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -111.5 | 1.5 | 179.3 | -63.8 | -173 | 177.7 | -174 | 0 | 113.7 | L265 V266 F267 E271 | L265-K269 HydrophobicContact CD1-CD 4.22Å; V266-K269 CarbonylContact O-C 3.58Å; V266-K269 PolarHBondContact O-N 3.44Å; V266-K269 VanDerWaalsContact O-N 3.16Å; F267-K269 VanDerWaalsContact C-N 3.29Å; K269-E271 PolarHBondContact O-N 3.34Å |
| 270 | W | 98.3 | Very high | 97.8 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | trans | -73 | 128.6 | -176.2 | -170.8 | -83.2 | 0 | 0 | 0 | 111.2 | V266 F267 W272 N274 V276 | V266-W270 HydrophobicContact CG1-CE3 3.85Å; V266-W270 HydrophobicContact CG1-CZ3 4.3Å; V266-W270 PolarHBondContact O-N 3.01Å; F267-W270 HydrophobicContact CD1-CB 4.2Å; F267-W270 HydrophobicContact CD1-CD2 4.4Å; F267-W270 HydrophobicContact CD1-CE3 4.38Å; F267-W270 HydrophobicContact CD1-CG 4.34Å; F267-W270 HydrophobicContact CE1-CD2 4.39Å; F267-W270 HydrophobicContact CE1-CE3 4.13Å; W270-W272 HydrophobicContact CB-CZ2 4.39Å; W270-W272 AromaticContact CD1-CD2 3.42Å; W270-W272 VanDerWaalsContact CD1-CD2 3.42Å; W270-W272 AromaticContact CD1-CE2 3.51Å; W270-W272 AromaticContact CD1-CE3 3.57Å; W270-W272 AromaticContact CD1-CG 3.93Å; W270-W272 AromaticContact CD1-CZ2 3.85Å; W270-W272 AromaticContact CD1-CZ3 3.9Å; W270-W272 AromaticContact CD1-NE1 3.96Å; W270-W272 HydrophobicContact CG-CD2 4.36Å; W270-W272 HydrophobicContact CG-CZ2 4.2Å; W270-W272 AromaticContact NE1-CE3 3.82Å; W270-W272 AromaticContact NE1-CZ3 3.9Å; W270-W272 PolarHBondContact O-N 2.73Å; W270-N274 PolarHBondContact NE1-O 2.82Å; W270-V276 HydrophobicContact CD2-CG2 4.33Å; W270-V276 HydrophobicContact CH2-CG2 4.29Å; W270-V276 HydrophobicContact CZ2-CB 4.5Å; W270-V276 HydrophobicContact CZ2-CG2 3.72Å | ||
| 271 | E | 97.5 | Very high | 97.2 | Very high | 150 Ų | 150 | 46.4 Ų | 46.4 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | trans | -80.5 | 67.7 | -174.8 | -63.5 | -174.3 | 139.9 | 0 | 0 | 111.6 | K269 N274 | K269-E271 PolarHBondContact O-N 3.34Å; E271-N274 WeakPolarHBondContact O-CB 3.32Å; E271-N274 VanDerWaalsContact O-CG 3.3Å; E271-N274 PolarHBondContact O-N 3.17Å; E271-N274 PolarHBondContact O-ND2 3.02Å | ||
| 272 | W | 97.6 | Very high | 96.5 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 129.6 | 173.4 | -57.1 | 105.9 | 0 | 0 | 0 | 110.6 | L243 F267 W270 V276 M304 I306 R325 | L243-W272 HydrophobicContact CD2-CH2 4.34Å; F267-W272 HydrophobicContact CD1-CZ2 4.17Å; W270-W272 HydrophobicContact CB-CZ2 4.39Å; W270-W272 AromaticContact CD1-CD2 3.42Å; W270-W272 VanDerWaalsContact CD1-CD2 3.42Å; W270-W272 AromaticContact CD1-CE2 3.51Å; W270-W272 AromaticContact CD1-CE3 3.57Å; W270-W272 AromaticContact CD1-CG 3.93Å; W270-W272 AromaticContact CD1-CZ2 3.85Å; W270-W272 AromaticContact CD1-CZ3 3.9Å; W270-W272 AromaticContact CD1-NE1 3.96Å; W270-W272 HydrophobicContact CG-CD2 4.36Å; W270-W272 HydrophobicContact CG-CZ2 4.2Å; W270-W272 AromaticContact NE1-CE3 3.82Å; W270-W272 AromaticContact NE1-CZ3 3.9Å; W270-W272 PolarHBondContact O-N 2.73Å; W272-V276 HydrophobicContact CH2-CG2 3.71Å; W272-V276 HydrophobicContact CZ3-CG2 3.95Å; W272-M304 HydrophobicContact CD2-CB 4.11Å; W272-M304 HydrophobicContact CD2-CE 4Å; W272-M304 HydrophobicContact CD2-CG 3.91Å; W272-M304 VanDerWaalsContact CE2-CE 3.48Å; W272-M304 VanDerWaalsContact CE3-CA 3.44Å; W272-M304 HydrophobicContact CE3-CB 3.74Å; W272-M304 HydrophobicContact CE3-CG 4.06Å; W272-M304 HydrophobicContact CG-CG 4.16Å; W272-M304 HydrophobicContact CH2-CB 4.41Å; W272-M304 HydrophobicContact CH2-CE 4.16Å; W272-M304 HydrophobicContact CZ2-CE 3.57Å; W272-M304 HydrophobicContact CZ3-CB 3.89Å; W272-I306 HydrophobicContact CH2-CG1 4.28Å; W272-I306 HydrophobicContact CZ3-CG1 4.45Å; W272-R325 PolarHBondContact O-NH2 3.36Å |
| 273 | P | 97.1 | Very high | 95.4 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 47% | 0.468 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -99.2 | 23.6 | 23.5 | 39.1 | -37.6 | 0 | 0 | 0 | 116.1 | H302 P305 | P273-H302 WeakPolarHBondContact CB-O 3.42Å; P273-P305 WeakPolarHBondContact O-CD 3.14Å; P273-P305 WeakPolarHBondContact O-CG 3.43Å |
| 274 | N | 97.2 | Very high | 94.6 | Very high | 85 Ų | 85 | 59.2 Ų | 59.2 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -55.8 | 132.7 | 174.4 | -72.9 | -29.9 | 0 | 0 | 0 | 111 | W270 E271 | W270-N274 PolarHBondContact NE1-O 2.82Å; E271-N274 WeakPolarHBondContact O-CB 3.32Å; E271-N274 VanDerWaalsContact O-CG 3.3Å; E271-N274 PolarHBondContact O-N 3.17Å; E271-N274 PolarHBondContact O-ND2 3.02Å |
| 275 | P | 97.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 66.9 Ų | 66.9 | 26% | 0.26 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 139.5 | -170.4 | 29.6 | -35.4 | 0 | 0 | 0 | 113.6 | L277 W291 P305 I307 | P275-L277 HydrophobicContact CG-CD1 4.34Å; P275-L277 PolarHBondContact O-N 3.24Å; P275-W291 HydrophobicContact CB-CH2 3.64Å; P275-W291 HydrophobicContact CB-CZ3 3.84Å; P275-W291 HydrophobicContact CG-CH2 3.89Å; P275-W291 HydrophobicContact CG-CZ3 4.08Å; P275-P305 WeakPolarHBondContact CA-O 3.19Å; P275-P305 HydrophobicContact CB-CB 4.22Å; P275-P305 HydrophobicContact CB-CG 4.09Å; P275-I307 HydrophobicContact CB-CG1 4.02Å |
| 276 | V | 98.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -82.1 | 116.4 | 169.6 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | L243 R246 F267 W270 W272 P305 I306 I307 | L243-V276 HydrophobicContact CD2-CB 4.33Å; L243-V276 HydrophobicContact CD2-CG1 4.11Å; L243-V276 HydrophobicContact CD2-CG2 3.93Å; R246-V276 HydrophobicContact CB-CG1 4.01Å; R246-V276 HydrophobicContact CG-CG1 4.03Å; F267-V276 HydrophobicContact CE1-CG2 4.03Å; W270-V276 HydrophobicContact CD2-CG2 4.33Å; W270-V276 HydrophobicContact CH2-CG2 4.29Å; W270-V276 HydrophobicContact CZ2-CB 4.5Å; W270-V276 HydrophobicContact CZ2-CG2 3.72Å; W272-V276 HydrophobicContact CH2-CG2 3.71Å; W272-V276 HydrophobicContact CZ3-CG2 3.95Å; V276-P305 PolarHBondContact N-O 2.84Å; V276-I306 HydrophobicContact CB-CB 4.49Å; V276-I306 HydrophobicContact CB-CG1 4.36Å; V276-I306 HydrophobicContact CB-CG2 4.15Å; V276-I306 HydrophobicContact CG1-CG2 4.31Å; V276-I307 PolarHBondContact O-N 2.91Å |
| 277 | L | 98 | Very high | 92.5 | Very high | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | trans | -121.1 | 135.1 | -178.4 | -73.6 | 161.2 | 0 | 0 | 0 | 110.9 | I13 R246 P275 P281 I307 | I13-L277 HydrophobicContact CD1-CB 3.92Å; I13-L277 HydrophobicContact CD1-CD1 4.2Å; I13-L277 HydrophobicContact CG1-CB 4.38Å; I13-L277 HydrophobicContact CG2-CB 4.29Å; R246-L277 WeakPolarHBondContact CD-O 3.48Å; P275-L277 HydrophobicContact CG-CD1 4.34Å; P275-L277 PolarHBondContact O-N 3.24Å; L277-P281 HydrophobicContact CD2-CG 4.23Å; L277-I307 HydrophobicContact CD2-CB 3.8Å; L277-I307 HydrophobicContact CD2-CG1 4.21Å; L277-I307 HydrophobicContact CD2-CG2 3.95Å | ||
| 278 | L | 97.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -96.5 | -22 | 177.4 | -68.1 | -178.6 | 0 | 0 | 0 | 114.6 | G12 I201 L204 M242 A245 R246 Q249 P309 | G12-L278 WeakPolarHBondContact CA-O 3.36Å; I201-L278 HydrophobicContact CG1-CD1 3.94Å; L204-L278 HydrophobicContact CD1-CB 3.91Å; M242-L278 HydrophobicContact CB-CD1 4.09Å; M242-L278 HydrophobicContact CG-CD1 3.83Å; M242-L278 HydrophobicContact SD-CD1 4.48Å; A245-L278 HydrophobicContact CB-CD1 3.99Å; A245-L278 HydrophobicContact CB-CD2 3.8Å; R246-L278 HydrophobicContact CB-CD2 3.81Å; Q249-L278 PolarHBondContact NE2-O 3.25Å; L278-P309 HydrophobicContact CB-CB 4.36Å; L278-P309 HydrophobicContact CD1-CG 4.32Å |
| 279 | K | 95 | Very high | 91.7 | Very high | 40 Ų | 40 | 79.3 Ų | 79.3 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -147.4 | 170.8 | 168.8 | 64.7 | 170.2 | -176.1 | 179.3 | 0 | 109.1 | I13 E200 L204 E282 P309 | I13-K279 WeakPolarHBondContact CG2-O 3.35Å; E200-K279 VanDerWaalsContact OE2-CE 3.26Å; E200-K279 WeakPolarHBondContact OE2-CE 3.31Å; E200-K279 IonicContact OE2-NZ 2.8Å; E200-K279 PolarHBondContact OE2-NZ 2.81Å; L204-K279 HydrophobicContact CD1-CB 4.14Å; L204-K279 HydrophobicContact CD1-CD 4.22Å; L204-K279 HydrophobicContact CD1-CG 4.07Å; L204-K279 HydrophobicContact CD2-CB 4.02Å; K279-E282 WeakPolarHBondContact CE-OE1 3.1Å; K279-E282 IonicContact NZ-OE1 2.7Å; K279-E282 PolarHBondContact NZ-OE1 3.18Å; K279-P309 WeakPolarHBondContact CE-O 3.43Å; K279-P309 HydrophobicContact CG-CB 4.2Å |
| 280 | Q | 92.3 | Very high | 91.4 | Very high | 120 Ų | 120 | 74.2 Ų | 74.2 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 138.2 | 170.1 | -64.8 | -63.6 | -0.4 | 0 | 0 | 108.8 | I13 E282 | I13-Q280 HydrophobicContact CG2-CG 4.05Å; Q280-E282 PolarHBondContact O-N 3.04Å |
| 281 | P | 87.9 | Confident | 91.2 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 129.7 | 169.1 | -22.5 | 34.1 | 0 | 0 | 0 | 110.3 | L277 | L277-P281 HydrophobicContact CD2-CG 4.23Š|
| 282 | E | 82.6 | Confident | 91 | Very high | 110 Ų | 110 | 67 Ų | 67 | 51% | 0.514 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 131.2 | 175.5 | -70.9 | 163.6 | -121.4 | 0 | 0 | 109 | K279 Q280 | K279-E282 WeakPolarHBondContact CE-OE1 3.1Å; K279-E282 IonicContact NZ-OE1 2.7Å; K279-E282 PolarHBondContact NZ-OE1 3.18Å; Q280-E282 PolarHBondContact O-N 3.04Å |
| 283 | E | 77.1 | Confident | 90.8 | Very high | 196 Ų | 196 | 68.1 Ų | 68.1 | 92% | 0.916 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 130.5 | 175.2 | -67.7 | -174.9 | 178.2 | 0 | 0 | 110.3 | ||
| 284 | S | 81.6 | Confident | 90.5 | Very high | 29 Ų | 29 | 73.9 Ų | 73.9 | 20% | 0.203 | 38% | 0.379 | C | S | . | . | trans | -138.7 | 125.6 | -171.9 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | D178 L286 Y311 | D178-S284 VanDerWaalsContact OD2-CB 3.31Å; D178-S284 WeakPolarHBondContact OD2-CB 3.43Å; D178-S284 PolarHBondContact OD2-OG 3.15Å; S284-L286 PolarHBondContact O-N 3.45Å; S284-Y311 PolarHBondContact O-OH 3.11Å | ||
| 285 | N | 83.6 | Confident | 90.2 | Very high | 162 Ų | 162 | 74.7 Ų | 74.7 | 87% | 0.866 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 22.3 | -168.1 | -64.6 | -23.4 | 0 | 0 | 0 | 114.6 | ||
| 286 | L | 83.9 | Confident | 89.9 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -5.4 | -176.8 | -62.4 | -179.8 | 0 | 0 | 0 | 113.5 | D178 L181 R182 S284 L288 Y311 | D178-L286 WeakPolarHBondContact O-CD1 3.48Å; L181-L286 HydrophobicContact CB-CD1 3.83Å; R182-L286 HydrophobicContact CB-CD2 4.02Å; R182-L286 HydrophobicContact CG-CD2 3.93Å; S284-L286 PolarHBondContact O-N 3.45Å; L286-L288 HydrophobicContact CB-CG 4.14Å; L286-L288 PolarHBondContact O-N 2.98Å; L286-L288 VanDerWaalsContact O-N 3.1Å; L286-Y311 HydrophobicContact CB-CE1 4.02Å; L286-Y311 HydrophobicContact CD1-CE1 4.14Å |
| 287 | N | 85.1 | Confident | 89.6 | Confident | 156 Ų | 156 | 79.2 Ų | 79.2 | 83% | 0.834 | 41% | 0.413 | S | S | * | . | trans | 52.6 | 29.5 | 176.2 | -61.1 | -21.2 | 0 | 0 | 0 | 114.5 | Y311 | N287-Y311 PolarHBondContact N-OH 3.23Š| ||
| 288 | L | 89.3 | Confident | 89.4 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 18% | 0.183 | 43% | 0.431 | C | S | . | . | trans | -75.1 | 151.4 | 173.6 | -57.8 | -178.5 | 0 | 0 | 0 | 110.5 | L181 I189 L286 V290 Y311 P312 | L181-L288 HydrophobicContact CD1-CD1 4.19Å; I189-L288 HydrophobicContact CD1-CD1 3.93Å; I189-L288 HydrophobicContact CD1-CD2 3.82Å; I189-L288 HydrophobicContact CG2-CD1 4.16Å; L286-L288 HydrophobicContact CB-CG 4.14Å; L286-L288 PolarHBondContact O-N 2.98Å; L286-L288 VanDerWaalsContact O-N 3.1Å; L288-V290 PolarHBondContact O-N 2.87Å; L288-V290 VanDerWaalsContact O-N 3.1Å; L288-Y311 HydrophobicContact CB-CE1 4.21Å; L288-Y311 HydrophobicContact CD1-CD1 4.49Å; L288-Y311 HydrophobicContact CD1-CE1 3.73Å; L288-Y311 HydrophobicContact CG-CE1 4.11Å; L288-Y311 PolarHBondContact N-OH 2.78Å; L288-Y311 VanDerWaalsContact N-OH 3.16Å; L288-P312 HydrophobicContact CB-CB 3.89Å; L288-P312 HydrophobicContact CB-CG 4.06Å; L288-P312 HydrophobicContact CD1-CB 4.43Å; L288-P312 HydrophobicContact CD1-CG 3.93Å | ||
| 289 | P | 88.9 | Confident | 89.2 | Confident | 98 Ų | 98 | 82.2 Ų | 82.2 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | trans | -63.1 | 112.2 | 176.3 | -22.6 | 34.1 | 0 | 0 | 0 | 112 | ||||
| 290 | V | 92.8 | Very high | 89.1 | Confident | 42 Ų | 42 | 87.4 Ų | 87.4 | 26% | 0.255 | 45% | 0.454 | S | S | . | . | trans | -105.1 | 144.8 | 173.7 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | L288 D292 N296 Y311 P312 Q313 | L288-V290 PolarHBondContact O-N 2.87Å; L288-V290 VanDerWaalsContact O-N 3.1Å; V290-D292 PolarHBondContact O-N 3.37Å; V290-N296 PolarHBondContact O-ND2 3.16Å; V290-Y311 HydrophobicContact CG2-CD2 3.87Å; V290-Y311 HydrophobicContact CG2-CE2 3.44Å; V290-Y311 VanDerWaalsContact CG2-CE2 3.44Å; V290-P312 HydrophobicContact CG2-CB 3.88Å; V290-Q313 WeakPolarHBondContact CA-O 3.43Å; V290-Q313 HydrophobicContact CG1-CB 4.18Å | ||
| 291 | W | 94.1 | Very high | 89.2 | Confident | 33 Ų | 33 | 90.6 Ų | 90.6 | 13% | 0.125 | 46% | 0.462 | C | S | . | . | trans | -67.5 | 116.1 | 170.3 | -179.1 | 78.8 | 0 | 0 | 0 | 110.6 | P275 P293 D299 H302 P305 I307 Q313 N315 | P275-W291 HydrophobicContact CB-CH2 3.64Å; P275-W291 HydrophobicContact CB-CZ3 3.84Å; P275-W291 HydrophobicContact CG-CH2 3.89Å; P275-W291 HydrophobicContact CG-CZ3 4.08Å; W291-P293 HydrophobicContact CH2-CG 3.68Å; W291-P293 HydrophobicContact CZ2-CB 4.3Å; W291-P293 HydrophobicContact CZ2-CG 3.79Å; W291-P293 HydrophobicContact CZ3-CG 4.3Å; W291-D299 WeakPolarHBondContact CA-OD2 3.32Å; W291-D299 VanDerWaalsContact NE1-CB 3.32Å; W291-H302 AromaticContact CD1-CE1 3.79Å; W291-H302 AromaticContact CD1-ND1 3.52Å; W291-H302 AromaticContact NE1-CE1 3.71Å; W291-H302 AromaticContact NE1-ND1 3.01Å; W291-H302 PolarHBondContact NE1-ND1 2.89Å; W291-P305 HydrophobicContact CH2-CB 4.16Å; W291-P305 HydrophobicContact CH2-CG 4.35Å; W291-P305 HydrophobicContact CZ2-CB 3.79Å; W291-P305 HydrophobicContact CZ2-CG 4.12Å; W291-I307 HydrophobicContact CD2-CD1 3.37Å; W291-I307 HydrophobicContact CD2-CG1 4.22Å; W291-I307 HydrophobicContact CE3-CD1 3.3Å; W291-I307 HydrophobicContact CE3-CG1 3.62Å; W291-I307 HydrophobicContact CE3-CG2 4.35Å; W291-I307 HydrophobicContact CG-CD1 3.91Å; W291-I307 HydrophobicContact CH2-CD1 4.17Å; W291-I307 HydrophobicContact CH2-CG1 4.44Å; W291-I307 HydrophobicContact CZ2-CD1 4.25Å; W291-I307 HydrophobicContact CZ3-CD1 3.73Å; W291-I307 HydrophobicContact CZ3-CG1 3.74Å; W291-Q313 PolarHBondContact N-O 2.84Å; W291-N315 HydrophobicContact CG-CB 4.13Å | ||
| 292 | D | 92.6 | Very high | 89.6 | Confident | 27 Ų | 27 | 89.2 Ų | 89.2 | 14% | 0.144 | 45% | 0.449 | C | S | . | . | trans | -151.9 | 106.5 | 173.5 | -172 | -13.7 | 0 | 0 | 0 | 110.7 | V290 R294 V295 N296 D299 | V290-D292 PolarHBondContact O-N 3.37Å; D292-R294 PolarHBondContact O-N 3.36Å; D292-R294 VanDerWaalsContact O-N 3.15Å; D292-R294 WeakPolarHBondContact OD1-CB 3.29Å; D292-R294 VanDerWaalsContact OD1-CG 3.26Å; D292-R294 WeakPolarHBondContact OD1-CG 3.39Å; D292-R294 IonicContact OD1-CZ 2.69Å; D292-R294 PolarHBondContact OD1-N 3.05Å; D292-R294 IonicContact OD1-NE 2.69Å; D292-R294 PolarHBondContact OD1-NE 3.27Å; D292-R294 IonicContact OD1-NH2 2.8Å; D292-R294 IonicContact OD2-CZ 3.4Å; D292-R294 VanDerWaalsContact OD2-CZ 3.26Å; D292-R294 IonicContact OD2-NE 3.18Å; D292-R294 PolarHBondContact OD2-NE 3.3Å; D292-R294 IonicContact OD2-NH2 3.87Å; D292-R294 PolarHBondContact OD2-NH2 2.7Å; D292-V295 HydrophobicContact CB-CB 4.41Å; D292-V295 HydrophobicContact CB-CG2 4.43Å; D292-V295 PolarHBondContact O-N 3.48Å; D292-V295 VanDerWaalsContact O-N 3.16Å; D292-N296 WeakPolarHBondContact O-CB 3.14Å; D292-N296 PolarHBondContact O-N 3.42Å; D292-D299 PolarHBondContact N-OD2 2.75Å | ||
| 293 | P | 93.2 | Very high | 90.4 | Very high | 40 Ų | 40 | 86.2 Ų | 86.2 | 26% | 0.26 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.3 | -179.9 | 30.5 | -35.8 | 0 | 0 | 0 | 113.1 | W291 D299 R300 | W291-P293 HydrophobicContact CH2-CG 3.68Å; W291-P293 HydrophobicContact CZ2-CB 4.3Å; W291-P293 HydrophobicContact CZ2-CG 3.79Å; W291-P293 HydrophobicContact CZ3-CG 4.3Å; P293-D299 HydrophobicContact CB-CB 4.15Å; P293-R300 HydrophobicContact CB-CG 3.99Å; P293-R300 WeakPolarHBondContact O-CG 3.49Å; P293-R300 PolarHBondContact O-NE 3.2Å |
| 294 | R | 91.8 | Very high | 91.3 | Very high | 193 Ų | 193 | 76.9 Ų | 76.9 | 73% | 0.728 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -47.1 | 172.4 | -55 | 170.5 | -65.3 | 179 | 6.3 | 109.6 | D292 R300 | D292-R294 PolarHBondContact O-N 3.36Å; D292-R294 VanDerWaalsContact O-N 3.15Å; D292-R294 WeakPolarHBondContact OD1-CB 3.29Å; D292-R294 VanDerWaalsContact OD1-CG 3.26Å; D292-R294 WeakPolarHBondContact OD1-CG 3.39Å; D292-R294 IonicContact OD1-CZ 2.69Å; D292-R294 PolarHBondContact OD1-N 3.05Å; D292-R294 IonicContact OD1-NE 2.69Å; D292-R294 PolarHBondContact OD1-NE 3.27Å; D292-R294 IonicContact OD1-NH2 2.8Å; D292-R294 IonicContact OD2-CZ 3.4Å; D292-R294 VanDerWaalsContact OD2-CZ 3.26Å; D292-R294 IonicContact OD2-NE 3.18Å; D292-R294 PolarHBondContact OD2-NE 3.3Å; D292-R294 IonicContact OD2-NH2 3.87Å; D292-R294 PolarHBondContact OD2-NH2 2.7Å; R294-R300 PolarHBondContact O-NH2 2.76Å |
| 295 | V | 89.9 | Confident | 92.1 | Very high | 102 Ų | 102 | 75.6 Ų | 75.6 | 62% | 0.618 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -49.4 | -174.6 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | D292 P297 | D292-V295 HydrophobicContact CB-CB 4.41Å; D292-V295 HydrophobicContact CB-CG2 4.43Å; D292-V295 PolarHBondContact O-N 3.48Å; D292-V295 VanDerWaalsContact O-N 3.16Å; V295-P297 WeakPolarHBondContact O-CD 3.48Å |
| 296 | N | 91.4 | Very high | 92.9 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | trans | -92.7 | 118.3 | -173.5 | -57.9 | -27.9 | 0 | 0 | 0 | 110.6 | V290 D292 S298 D299 | V290-N296 PolarHBondContact O-ND2 3.16Å; D292-N296 WeakPolarHBondContact O-CB 3.14Å; D292-N296 PolarHBondContact O-N 3.42Å; N296-S298 VanDerWaalsContact C-N 3.3Å; N296-S298 PolarHBondContact O-N 3.31Å; N296-D299 HydrophobicContact CB-CB 4.01Å; N296-D299 VanDerWaalsContact CB-OD2 3.31Å; N296-D299 WeakPolarHBondContact CB-OD2 3.41Å; N296-D299 PolarHBondContact ND2-OD2 3Å; N296-D299 PolarHBondContact O-N 3.11Å | ||
| 297 | P | 93.5 | Very high | 93.5 | Very high | 81 Ų | 81 | 65.9 Ų | 65.9 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -32.4 | 178.7 | -24.8 | 36 | 0 | 0 | 0 | 113.9 | V295 D299 R300 Y301 | V295-P297 WeakPolarHBondContact O-CD 3.48Å; P297-D299 VanDerWaalsContact C-N 3.32Å; P297-D299 PolarHBondContact O-N 2.57Å; P297-R300 WeakPolarHBondContact O-CB 3.45Å; P297-R300 PolarHBondContact O-N 2.85Å; P297-Y301 VanDerWaalsContact O-CD2 3.3Å; P297-Y301 WeakPolarHBondContact O-CD2 3.29Å; P297-Y301 VanDerWaalsContact O-CE2 3.31Å; P297-Y301 WeakPolarHBondContact O-CE2 3.36Å |
| 298 | S | 92.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -59.4 | -41.2 | 176.5 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | N296 R300 Y301 | N296-S298 VanDerWaalsContact C-N 3.3Å; N296-S298 PolarHBondContact O-N 3.31Å; S298-R300 PolarHBondContact O-N 3.04Å; S298-Y301 PolarHBondContact O-N 2.98Å; S298-Y301 VanDerWaalsContact O-N 3.14Å |
| 299 | D | 93.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -67.4 | -20.1 | -174.1 | -75.4 | -14.6 | 0 | 0 | 0 | 112.9 | W291 D292 P293 N296 P297 Y301 H302 | W291-D299 WeakPolarHBondContact CA-OD2 3.32Å; W291-D299 VanDerWaalsContact NE1-CB 3.32Å; D292-D299 PolarHBondContact N-OD2 2.75Å; P293-D299 HydrophobicContact CB-CB 4.15Å; N296-D299 HydrophobicContact CB-CB 4.01Å; N296-D299 VanDerWaalsContact CB-OD2 3.31Å; N296-D299 WeakPolarHBondContact CB-OD2 3.41Å; N296-D299 PolarHBondContact ND2-OD2 3Å; N296-D299 PolarHBondContact O-N 3.11Å; P297-D299 VanDerWaalsContact C-N 3.32Å; P297-D299 PolarHBondContact O-N 2.57Å; D299-Y301 PolarHBondContact O-N 3.22Å; D299-H302 PolarHBondContact O-N 3.15Å; D299-H302 IonicContact OD1-CE1 3.19Å; D299-H302 PolarHBondContact OD1-CE1 2.98Å; D299-H302 VanDerWaalsContact OD1-CE1 3.28Å; D299-H302 IonicContact OD1-ND1 3.02Å |
| 300 | R | 94.1 | Very high | 94.7 | Very high | 150 Ų | 150 | 53.2 Ų | 53.2 | 57% | 0.566 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -68.2 | -21.1 | 176 | -58.4 | 176.1 | -176.4 | 173.5 | 2.1 | 113.2 | P293 R294 P297 S298 | P293-R300 HydrophobicContact CB-CG 3.99Å; P293-R300 WeakPolarHBondContact O-CG 3.49Å; P293-R300 PolarHBondContact O-NE 3.2Å; R294-R300 PolarHBondContact O-NH2 2.76Å; P297-R300 WeakPolarHBondContact O-CB 3.45Å; P297-R300 PolarHBondContact O-N 2.85Å; S298-R300 PolarHBondContact O-N 3.04Å |
| 301 | Y | 94.5 | Very high | 94.7 | Very high | 187 Ų | 187 | 51.7 Ų | 51.7 | 73% | 0.733 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -92.8 | -2.1 | -178.3 | -59.9 | -78.4 | 0 | 0 | 0 | 113.4 | P297 S298 D299 L303 | P297-Y301 VanDerWaalsContact O-CD2 3.3Å; P297-Y301 WeakPolarHBondContact O-CD2 3.29Å; P297-Y301 VanDerWaalsContact O-CE2 3.31Å; P297-Y301 WeakPolarHBondContact O-CE2 3.36Å; S298-Y301 PolarHBondContact O-N 2.98Å; S298-Y301 VanDerWaalsContact O-N 3.14Å; D299-Y301 PolarHBondContact O-N 3.22Å; Y301-L303 PolarHBondContact O-N 3.04Å |
| 302 | H | 96.6 | Very high | 94.7 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 18% | 0.181 | 25% | 0.246 | C | C | . | . | trans | -68.4 | 123.8 | 177.4 | -68.7 | 156.9 | 0 | 0 | 0 | 111.8 | P273 W291 D299 P305 N315 | P273-H302 WeakPolarHBondContact CB-O 3.42Å; W291-H302 AromaticContact CD1-CE1 3.79Å; W291-H302 AromaticContact CD1-ND1 3.52Å; W291-H302 AromaticContact NE1-CE1 3.71Å; W291-H302 AromaticContact NE1-ND1 3.01Å; W291-H302 PolarHBondContact NE1-ND1 2.89Å; D299-H302 PolarHBondContact O-N 3.15Å; D299-H302 IonicContact OD1-CE1 3.19Å; D299-H302 PolarHBondContact OD1-CE1 2.98Å; D299-H302 VanDerWaalsContact OD1-CE1 3.28Å; D299-H302 IonicContact OD1-ND1 3.02Å; H302-P305 HydrophobicContact CB-CB 4.37Å; H302-N315 VanDerWaalsContact CG-ND2 3.3Å; H302-N315 PolarHBondContact ND1-ND2 2.76Å; H302-N315 VanDerWaalsContact ND1-ND2 3.19Å | ||
| 303 | L | 97.6 | Very high | 94.8 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -86.2 | -25.6 | -167.5 | -61.2 | 177.5 | 0 | 0 | 0 | 115 | Y301 S321 T322 | Y301-L303 PolarHBondContact O-N 3.04Å; L303-S321 VanDerWaalsContact CD1-C 3.42Å; L303-T322 VanDerWaalsContact CD1-N 3.33Å |
| 304 | M | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -142.9 | 59.5 | 177.1 | -64.9 | -178.8 | 72.6 | 0 | 0 | 112.2 | W272 I306 T317 V320 R325 M328 F332 | W272-M304 HydrophobicContact CD2-CB 4.11Å; W272-M304 HydrophobicContact CD2-CE 4Å; W272-M304 HydrophobicContact CD2-CG 3.91Å; W272-M304 VanDerWaalsContact CE2-CE 3.48Å; W272-M304 VanDerWaalsContact CE3-CA 3.44Å; W272-M304 HydrophobicContact CE3-CB 3.74Å; W272-M304 HydrophobicContact CE3-CG 4.06Å; W272-M304 HydrophobicContact CG-CG 4.16Å; W272-M304 HydrophobicContact CH2-CB 4.41Å; W272-M304 HydrophobicContact CH2-CE 4.16Å; W272-M304 HydrophobicContact CZ2-CE 3.57Å; W272-M304 HydrophobicContact CZ3-CB 3.89Å; M304-I306 PolarHBondContact O-N 3.39Å; M304-T317 WeakPolarHBondContact O-CB 3.42Å; M304-T317 PolarHBondContact O-OG1 3.24Å; M304-V320 HydrophobicContact CB-CG1 4.24Å; M304-V320 HydrophobicContact CG-CG1 4.07Å; M304-V320 HydrophobicContact SD-CG1 3.92Å; M304-R325 HydrophobicContact CG-CB 4.05Å; M304-R325 HydrophobicContact CG-CG 3.76Å; M304-R325 HydrophobicContact SD-CB 3.67Å; M304-R325 HydrophobicContact SD-CG 3.65Å; M304-M328 HydrophobicContact CE-CB 4.44Å; M304-M328 HydrophobicContact SD-CE 3.71Å; M304-F332 HydrophobicContact CE-CE2 4.13Å |
| 305 | P | 98.2 | Very high | 95 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | trans | -63.1 | 126.6 | -170.3 | 20.7 | -28.9 | 0 | 0 | 0 | 113.3 | P273 P275 V276 W291 H302 I307 N315 | P273-P305 WeakPolarHBondContact O-CD 3.14Å; P273-P305 WeakPolarHBondContact O-CG 3.43Å; P275-P305 WeakPolarHBondContact CA-O 3.19Å; P275-P305 HydrophobicContact CB-CB 4.22Å; P275-P305 HydrophobicContact CB-CG 4.09Å; V276-P305 PolarHBondContact N-O 2.84Å; W291-P305 HydrophobicContact CH2-CB 4.16Å; W291-P305 HydrophobicContact CH2-CG 4.35Å; W291-P305 HydrophobicContact CZ2-CB 3.79Å; W291-P305 HydrophobicContact CZ2-CG 4.12Å; H302-P305 HydrophobicContact CB-CB 4.37Å; P305-I307 HydrophobicContact CB-CD1 3.96Å; P305-N315 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 306 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -125.2 | 118.4 | 172.4 | -51.3 | 172.7 | 0 | 0 | 0 | 106.6 | L235 M242 L243 W272 V276 M304 N315 S316 T317 | L235-I306 HydrophobicContact CD1-CD1 3.92Å; L235-I306 HydrophobicContact CD2-CD1 4.09Å; M242-I306 HydrophobicContact CB-CG2 3.73Å; M242-I306 HydrophobicContact CE-CG2 3.79Å; M242-I306 HydrophobicContact SD-CG2 4.39Å; L243-I306 HydrophobicContact CD1-CD1 4.04Å; L243-I306 HydrophobicContact CD2-CD1 3.5Å; L243-I306 HydrophobicContact CD2-CG1 3.98Å; L243-I306 HydrophobicContact CD2-CG2 4.4Å; L243-I306 HydrophobicContact CG-CD1 3.71Å; W272-I306 HydrophobicContact CH2-CG1 4.28Å; W272-I306 HydrophobicContact CZ3-CG1 4.45Å; V276-I306 HydrophobicContact CB-CB 4.49Å; V276-I306 HydrophobicContact CB-CG1 4.36Å; V276-I306 HydrophobicContact CB-CG2 4.15Å; V276-I306 HydrophobicContact CG1-CG2 4.31Å; M304-I306 PolarHBondContact O-N 3.39Å; I306-N315 PolarHBondContact N-OD1 2.82Å; I306-N315 PolarHBondContact O-OD1 3.13Å; I306-S316 PolarHBondContact O-N 3.49Å; I306-S316 PolarHBondContact O-OG 3.19Å; I306-T317 HydrophobicContact CB-CG2 3.84Å; I306-T317 HydrophobicContact CD1-CG2 3.53Å; I306-T317 HydrophobicContact CG1-CG2 3.64Å |
| 307 | I | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -107.5 | 127.5 | -160.9 | -52.8 | -52 | 0 | 0 | 0 | 110.8 | P275 V276 L277 W291 P305 Q313 Q314 N315 | P275-I307 HydrophobicContact CB-CG1 4.02Å; V276-I307 PolarHBondContact O-N 2.91Å; L277-I307 HydrophobicContact CD2-CB 3.8Å; L277-I307 HydrophobicContact CD2-CG1 4.21Å; L277-I307 HydrophobicContact CD2-CG2 3.95Å; W291-I307 HydrophobicContact CD2-CD1 3.37Å; W291-I307 HydrophobicContact CD2-CG1 4.22Å; W291-I307 HydrophobicContact CE3-CD1 3.3Å; W291-I307 HydrophobicContact CE3-CG1 3.62Å; W291-I307 HydrophobicContact CE3-CG2 4.35Å; W291-I307 HydrophobicContact CG-CD1 3.91Å; W291-I307 HydrophobicContact CH2-CD1 4.17Å; W291-I307 HydrophobicContact CH2-CG1 4.44Å; W291-I307 HydrophobicContact CZ2-CD1 4.25Å; W291-I307 HydrophobicContact CZ3-CD1 3.73Å; W291-I307 HydrophobicContact CZ3-CG1 3.74Å; P305-I307 HydrophobicContact CB-CD1 3.96Å; I307-Q313 HydrophobicContact CG2-CB 3.83Å; I307-Q314 WeakPolarHBondContact CA-O 3.23Å; I307-N315 HydrophobicContact CD1-CB 3.83Å |
| 308 | T | 97.1 | Very high | 95.6 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.086 | 18% | 0.177 | C | C | . | . | trans | -63.5 | 133.1 | 179.9 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | V197 M242 A310 Q313 Q314 | V197-T308 HydrophobicContact CG1-CG2 4.32Å; V197-T308 HydrophobicContact CG2-CG2 4.07Å; M242-T308 HydrophobicContact CE-CG2 4.07Å; M242-T308 HydrophobicContact SD-CG2 4.4Å; T308-A310 PolarHBondContact O-N 3.13Å; T308-Q313 WeakPolarHBondContact O-CB 3.2Å; T308-Q313 VanDerWaalsContact O-CG 3.24Å; T308-Q313 WeakPolarHBondContact O-CG 3.08Å; T308-Q314 PolarHBondContact N-O 3.48Å; T308-Q314 PolarHBondContact OG1-N 2.97Å; T308-Q314 PolarHBondContact OG1-O 3.04Å | ||
| 309 | P | 95.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -68.1 | -36.5 | -175.6 | 24.1 | -34.1 | 0 | 0 | 0 | 114 | E200 I201 L204 L278 K279 | E200-P309 HydrophobicContact CB-CB 4.08Å; E200-P309 HydrophobicContact CB-CG 3.72Å; I201-P309 HydrophobicContact CG1-CG 4.24Å; L204-P309 HydrophobicContact CD1-CB 3.56Å; L204-P309 HydrophobicContact CD1-CG 4.17Å; L278-P309 HydrophobicContact CB-CB 4.36Å; L278-P309 HydrophobicContact CD1-CG 4.32Å; K279-P309 WeakPolarHBondContact CE-O 3.43Å; K279-P309 HydrophobicContact CG-CB 4.2Å |
| 310 | A | 94.9 | Very high | 96 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -73.2 | 143.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R196 V197 E200 T308 P312 Q313 | R196-A310 HydrophobicContact CB-CB 3.79Å; V197-A310 HydrophobicContact CG2-CB 3.95Å; E200-A310 HydrophobicContact CG-CB 4.25Å; T308-A310 PolarHBondContact O-N 3.13Å; A310-P312 CarbonylContact O-C 3.59Å; A310-Q313 WeakPolarHBondContact O-CA 3.47Å; A310-Q313 PolarHBondContact O-N 3.37Å |
| 311 | Y | 93.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -71.6 | 146.1 | 170.2 | 177.3 | -91.1 | 0 | 0 | 0 | 111.1 | D178 L181 R196 S284 L286 N287 L288 V290 | D178-Y311 WeakPolarHBondContact OD2-CB 3.27Å; D178-Y311 WeakPolarHBondContact OD2-CD1 3.45Å; D178-Y311 VanDerWaalsContact OD2-CG 3.3Å; L181-Y311 HydrophobicContact CD1-CD1 4.13Å; R196-Y311 PolarHBondContact NE-O 3.02Å; R196-Y311 PolarHBondContact NH2-O 2.93Å; S284-Y311 PolarHBondContact O-OH 3.11Å; L286-Y311 HydrophobicContact CB-CE1 4.02Å; L286-Y311 HydrophobicContact CD1-CE1 4.14Å; N287-Y311 PolarHBondContact N-OH 3.23Å; L288-Y311 HydrophobicContact CB-CE1 4.21Å; L288-Y311 HydrophobicContact CD1-CD1 4.49Å; L288-Y311 HydrophobicContact CD1-CE1 3.73Å; L288-Y311 HydrophobicContact CG-CE1 4.11Å; L288-Y311 PolarHBondContact N-OH 2.78Å; L288-Y311 VanDerWaalsContact N-OH 3.16Å; V290-Y311 HydrophobicContact CG2-CD2 3.87Å; V290-Y311 HydrophobicContact CG2-CE2 3.44Å; V290-Y311 VanDerWaalsContact CG2-CE2 3.44Å |
| 312 | P | 93.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.019 | 12% | 0.121 | C | C | . | . | S | Bend | cis | -69.2 | 129.6 | -13.8 | 29.3 | -33.6 | 0 | 0 | 0 | 110.5 | I189 L288 V290 A310 | I189-P312 HydrophobicContact CG2-CG 4.38Å; L288-P312 HydrophobicContact CB-CB 3.89Å; L288-P312 HydrophobicContact CB-CG 4.06Å; L288-P312 HydrophobicContact CD1-CB 4.43Å; L288-P312 HydrophobicContact CD1-CG 3.93Å; V290-P312 HydrophobicContact CG2-CB 3.88Å; A310-P312 CarbonylContact O-C 3.59Å |
| 313 | Q | 94.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 132.3 | -176.1 | -60.5 | 80.9 | -2.3 | 0 | 0 | 110 | V290 W291 I307 T308 A310 | V290-Q313 WeakPolarHBondContact CA-O 3.43Å; V290-Q313 HydrophobicContact CG1-CB 4.18Å; W291-Q313 PolarHBondContact N-O 2.84Å; I307-Q313 HydrophobicContact CG2-CB 3.83Å; T308-Q313 WeakPolarHBondContact O-CB 3.2Å; T308-Q313 VanDerWaalsContact O-CG 3.24Å; T308-Q313 WeakPolarHBondContact O-CG 3.08Å; A310-Q313 WeakPolarHBondContact O-CA 3.47Å; A310-Q313 PolarHBondContact O-N 3.37Å |
| 314 | Q | 94 | Very high | 96.3 | Very high | 74 Ų | 74 | 19.9 Ų | 19.9 | 35% | 0.346 | 10% | 0.102 | S | C | . | . | trans | -130.5 | 151.5 | -175.5 | -68.4 | -177.6 | -24.8 | 0 | 0 | 110.6 | I307 T308 S316 | I307-Q314 WeakPolarHBondContact CA-O 3.23Å; T308-Q314 PolarHBondContact N-O 3.48Å; T308-Q314 PolarHBondContact OG1-N 2.97Å; T308-Q314 PolarHBondContact OG1-O 3.04Å; Q314-S316 PolarHBondContact O-N 3.36Å | ||
| 315 | N | 96.5 | Very high | 96.3 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 6% | 0.059 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -79.1 | 116 | 172.3 | -179.5 | 25.2 | 0 | 0 | 0 | 110.6 | W291 H302 P305 I306 I307 T317 Y318 | W291-N315 HydrophobicContact CG-CB 4.13Å; H302-N315 VanDerWaalsContact CG-ND2 3.3Å; H302-N315 PolarHBondContact ND1-ND2 2.76Å; H302-N315 VanDerWaalsContact ND1-ND2 3.19Å; P305-N315 WeakPolarHBondContact CA-OD1 3.41Å; I306-N315 PolarHBondContact N-OD1 2.82Å; I306-N315 PolarHBondContact O-OD1 3.13Å; I307-N315 HydrophobicContact CD1-CB 3.83Å; N315-T317 PolarHBondContact ND2-OG1 2.92Å; N315-T317 PolarHBondContact O-N 3.37Å; N315-T317 PolarHBondContact OD1-N 3.32Å; N315-T317 PolarHBondContact OD1-OG1 3.33Å; N315-Y318 PolarHBondContact ND2-N 2.8Å; N315-Y318 WeakPolarHBondContact O-CD1 3.18Å |
| 316 | S | 96.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 10.8 | 179.3 | 73.5 | 0 | 0 | 0 | 0 | 114.2 | S239 M242 I306 Q314 | S239-S316 WeakPolarHBondContact OG-CB 3.39Å; S239-S316 PolarHBondContact OG-O 3.1Å; S239-S316 PolarHBondContact OG-OG 3.08Å; M242-S316 WeakPolarHBondContact CE-OG 3.16Å; I306-S316 PolarHBondContact O-N 3.49Å; I306-S316 PolarHBondContact O-OG 3.19Å; Q314-S316 PolarHBondContact O-N 3.36Å |
| 317 | T | 96.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | 18.9 | -176.4 | 68.1 | 0 | 0 | 0 | 0 | 113.9 | L235 M304 I306 N315 N319 V320 | L235-T317 HydrophobicContact CD2-CG2 3.42Å; L235-T317 VanDerWaalsContact CD2-CG2 3.42Å; M304-T317 WeakPolarHBondContact O-CB 3.42Å; M304-T317 PolarHBondContact O-OG1 3.24Å; I306-T317 HydrophobicContact CB-CG2 3.84Å; I306-T317 HydrophobicContact CD1-CG2 3.53Å; I306-T317 HydrophobicContact CG1-CG2 3.64Å; N315-T317 PolarHBondContact ND2-OG1 2.92Å; N315-T317 PolarHBondContact O-N 3.37Å; N315-T317 PolarHBondContact OD1-N 3.32Å; N315-T317 PolarHBondContact OD1-OG1 3.33Å; T317-N319 PolarHBondContact O-N 2.99Å; T317-V320 WeakPolarHBondContact O-CB 3.33Å; T317-V320 WeakPolarHBondContact O-CG2 3.32Å; T317-V320 PolarHBondContact O-N 2.79Å |
| 318 | Y | 93.3 | Very high | 96.3 | Very high | 136 Ų | 136 | 26.8 Ų | 26.8 | 53% | 0.533 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.8 | -177.6 | 70.1 | -86.3 | 0 | 0 | 0 | 114.3 | N315 | N315-Y318 PolarHBondContact ND2-N 2.8Å; N315-Y318 WeakPolarHBondContact O-CD1 3.18Å |
| 319 | N | 95.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 27.6 Ų | 27.6 | 10% | 0.102 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.6 | 174.7 | -65.1 | -54.5 | 0 | 0 | 0 | 114.6 | N230 G233 T317 S321 R390 | N230-N319 WeakPolarHBondContact O-CB 3.5Å; N230-N319 PolarHBondContact O-ND2 3.46Å; N230-N319 PolarHBondContact OD1-ND2 3.38Å; G233-N319 WeakPolarHBondContact CA-O 3.29Å; T317-N319 PolarHBondContact O-N 2.99Å; N319-S321 PolarHBondContact O-N 3.49Å; N319-R390 PolarHBondContact OD1-NE 3.03Å |
| 320 | V | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | trans | -71.4 | 123.6 | -175.7 | 173 | 0 | 0 | 0 | 0 | 111.6 | G233 L235 M304 T317 R325 M328 | G233-V320 WeakPolarHBondContact O-CA 3.37Å; G233-V320 WeakPolarHBondContact O-CG2 3.29Å; L235-V320 HydrophobicContact CD2-CG2 4.21Å; M304-V320 HydrophobicContact CB-CG1 4.24Å; M304-V320 HydrophobicContact CG-CG1 4.07Å; M304-V320 HydrophobicContact SD-CG1 3.92Å; T317-V320 WeakPolarHBondContact O-CB 3.33Å; T317-V320 WeakPolarHBondContact O-CG2 3.32Å; T317-V320 PolarHBondContact O-N 2.79Å; V320-R325 HydrophobicContact CG1-CB 3.95Å; V320-M328 HydrophobicContact CG1-CE 3.84Å; V320-M328 HydrophobicContact CG2-CE 3.94Å | ||
| 321 | S | 97.1 | Very high | 96.6 | Very high | 18 Ų | 18 | 31 Ų | 31 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | trans | -95.9 | 174 | 177 | 92.3 | 0 | 0 | 0 | 0 | 112 | L303 N319 S323 T324 R325 E397 | L303-S321 VanDerWaalsContact CD1-C 3.42Å; N319-S321 PolarHBondContact O-N 3.49Å; S321-S323 VanDerWaalsContact C-N 3.27Å; S321-S323 PolarHBondContact O-N 2.98Å; S321-S323 PolarHBondContact OG-N 3.3Å; S321-T324 PolarHBondContact N-OG1 3.28Å; S321-T324 PolarHBondContact O-N 3.33Å; S321-T324 PolarHBondContact O-OG1 2.99Å; S321-T324 PolarHBondContact OG-N 3.45Å; S321-R325 VanDerWaalsContact O-CB 3.26Å; S321-R325 WeakPolarHBondContact O-CB 3.43Å; S321-R325 PolarHBondContact O-N 2.86Å; S321-E397 WeakPolarHBondContact CB-OE1 3.1Å; S321-E397 VanDerWaalsContact CB-OE2 3.27Å; S321-E397 WeakPolarHBondContact CB-OE2 3.32Å; S321-E397 PolarHBondContact OG-OE2 2.79Å | ||
| 322 | T | 97.4 | Very high | 96.9 | Very high | 74 Ų | 74 | 30.5 Ų | 30.5 | 45% | 0.454 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 175.4 | -42.9 | 0 | 0 | 0 | 0 | 110.6 | L303 T326 E397 | L303-T322 VanDerWaalsContact CD1-N 3.33Å; T322-T326 WeakPolarHBondContact O-CB 3.42Å; T322-T326 PolarHBondContact O-N 3.32Å; T322-T326 PolarHBondContact O-OG1 2.97Å; T322-E397 WeakPolarHBondContact CA-OE1 3.42Å; T322-E397 WeakPolarHBondContact CB-OE1 3.24Å; T322-E397 PolarHBondContact N-OE1 2.9Å; T322-E397 PolarHBondContact N-OE2 3.2Å; T322-E397 PolarHBondContact OG1-OE1 2.94Å |
| 323 | S | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.9 | -50.1 | 177.4 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | S321 T326 V327 E397 A405 | S321-S323 VanDerWaalsContact C-N 3.27Å; S321-S323 PolarHBondContact O-N 2.98Å; S321-S323 PolarHBondContact OG-N 3.3Å; S323-T326 PolarHBondContact O-N 3.27Å; S323-V327 WeakPolarHBondContact O-CG2 3.4Å; S323-V327 PolarHBondContact O-N 2.54Å; S323-E397 WeakPolarHBondContact CB-OE2 3.38Å; S323-E397 PolarHBondContact N-OE2 3.19Å; S323-E397 PolarHBondContact OG-OE2 2.87Å; S323-A405 VanDerWaalsContact CB-O 3.26Å; S323-A405 WeakPolarHBondContact CB-O 3.5Å; S323-A405 PolarHBondContact OG-N 3.27Å |
| 324 | T | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.5 | -36.1 | -178.2 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | G233 F234 S321 T326 V327 M328 | G233-T324 WeakPolarHBondContact O-CB 3.41Å; G233-T324 WeakPolarHBondContact O-CG2 3.17Å; G233-T324 PolarHBondContact O-OG1 2.97Å; F234-T324 HydrophobicContact CD1-CG2 4.14Å; F234-T324 HydrophobicContact CE1-CG2 3.96Å; F234-T324 HydrophobicContact CE2-CG2 4.43Å; F234-T324 HydrophobicContact CG-CG2 4.47Å; F234-T324 HydrophobicContact CZ-CG2 4.13Å; S321-T324 PolarHBondContact N-OG1 3.28Å; S321-T324 PolarHBondContact O-N 3.33Å; S321-T324 PolarHBondContact O-OG1 2.99Å; S321-T324 PolarHBondContact OG-N 3.45Å; T324-T326 PolarHBondContact O-N 2.88Å; T324-V327 PolarHBondContact O-N 3Å; T324-M328 WeakPolarHBondContact O-CE 3.42Å; T324-M328 WeakPolarHBondContact O-CG 3.5Å; T324-M328 PolarHBondContact O-N 3.3Å |
| 325 | R | 97.8 | Very high | 97.5 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 28% | 0.275 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -55.2 | -48.9 | 167.7 | 170.2 | 173.6 | 177.4 | -144.5 | 2.7 | 111.8 | W272 M304 V320 S321 V327 M328 V329 | W272-R325 PolarHBondContact O-NH2 3.36Å; M304-R325 HydrophobicContact CG-CB 4.05Å; M304-R325 HydrophobicContact CG-CG 3.76Å; M304-R325 HydrophobicContact SD-CB 3.67Å; M304-R325 HydrophobicContact SD-CG 3.65Å; V320-R325 HydrophobicContact CG1-CB 3.95Å; S321-R325 VanDerWaalsContact O-CB 3.26Å; S321-R325 WeakPolarHBondContact O-CB 3.43Å; S321-R325 PolarHBondContact O-N 2.86Å; R325-V327 VanDerWaalsContact C-N 3.32Å; R325-V327 PolarHBondContact O-N 2.93Å; R325-M328 PolarHBondContact O-N 3.03Å; R325-V329 HydrophobicContact CG-CG2 4.31Å; R325-V329 WeakPolarHBondContact O-CB 3.23Å; R325-V329 WeakPolarHBondContact O-CG2 3.41Å; R325-V329 PolarHBondContact O-N 3.1Å |
| 326 | T | 97.9 | Very high | 97.6 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 45% | 0.448 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.5 | -40.5 | -178.2 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | T322 S323 T324 E330 L404 | T322-T326 WeakPolarHBondContact O-CB 3.42Å; T322-T326 PolarHBondContact O-N 3.32Å; T322-T326 PolarHBondContact O-OG1 2.97Å; S323-T326 PolarHBondContact O-N 3.27Å; T324-T326 PolarHBondContact O-N 2.88Å; T326-E330 WeakPolarHBondContact O-CB 3.25Å; T326-E330 PolarHBondContact O-N 2.94Å; T326-L404 HydrophobicContact CG2-CD1 3.91Å |
| 327 | V | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -51.8 | 173.1 | 173.6 | 0 | 0 | 0 | 0 | 111 | I227 F234 S323 T324 R325 V329 E330 E331 L404 H406 | I227-V327 HydrophobicContact CG2-CG1 3.82Å; F234-V327 HydrophobicContact CE1-CB 4.22Å; F234-V327 HydrophobicContact CE1-CG1 4.04Å; F234-V327 HydrophobicContact CZ-CG1 4.49Å; S323-V327 WeakPolarHBondContact O-CG2 3.4Å; S323-V327 PolarHBondContact O-N 2.54Å; T324-V327 PolarHBondContact O-N 3Å; R325-V327 VanDerWaalsContact C-N 3.32Å; R325-V327 PolarHBondContact O-N 2.93Å; V327-V329 PolarHBondContact O-N 3.2Å; V327-E330 PolarHBondContact O-N 3.44Å; V327-E330 VanDerWaalsContact O-N 3.17Å; V327-E331 HydrophobicContact CG1-CG 4.15Å; V327-E331 WeakPolarHBondContact O-CG 3.37Å; V327-E331 PolarHBondContact O-N 2.73Å; V327-L404 HydrophobicContact CG2-CD1 4.35Å; V327-L404 HydrophobicContact CG2-CD2 4.07Å; V327-H406 HydrophobicContact CG2-CB 4.13Å |
| 328 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | -176.5 | -70.2 | -177.7 | -74.8 | 0 | 0 | 112.9 | I227 F234 L235 M304 V320 T324 R325 E330 E331 F332 | I227-M328 HydrophobicContact CB-CG 4.23Å; I227-M328 HydrophobicContact CG2-CG 4.35Å; F234-M328 HydrophobicContact CB-SD 4.35Å; F234-M328 HydrophobicContact CD1-CE 4.22Å; F234-M328 HydrophobicContact CD1-CG 3.85Å; F234-M328 HydrophobicContact CD1-SD 3.9Å; F234-M328 HydrophobicContact CE1-CG 4.32Å; L235-M328 HydrophobicContact CD1-SD 4.47Å; L235-M328 HydrophobicContact CD2-SD 4.29Å; L235-M328 HydrophobicContact CG-SD 3.75Å; M304-M328 HydrophobicContact CE-CB 4.44Å; M304-M328 HydrophobicContact SD-CE 3.71Å; V320-M328 HydrophobicContact CG1-CE 3.84Å; V320-M328 HydrophobicContact CG2-CE 3.94Å; T324-M328 WeakPolarHBondContact O-CE 3.42Å; T324-M328 WeakPolarHBondContact O-CG 3.5Å; T324-M328 PolarHBondContact O-N 3.3Å; R325-M328 PolarHBondContact O-N 3.03Å; M328-E330 VanDerWaalsContact C-N 3.31Å; M328-E330 PolarHBondContact O-N 3.14Å; M328-E331 PolarHBondContact O-N 3.29Å; M328-F332 HydrophobicContact CB-CE2 4.4Å; M328-F332 WeakPolarHBondContact O-CD2 3.47Å; M328-F332 VanDerWaalsContact O-CG 3.28Å; M328-F332 WeakPolarHBondContact O-CG 3.48Å; M328-F332 PolarHBondContact O-N 2.75Å |
| 329 | V | 98.5 | Very high | 98 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -35.5 | 175.8 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | R325 V327 K333 | R325-V329 HydrophobicContact CG-CG2 4.31Å; R325-V329 WeakPolarHBondContact O-CB 3.23Å; R325-V329 WeakPolarHBondContact O-CG2 3.41Å; R325-V329 PolarHBondContact O-N 3.1Å; V327-V329 PolarHBondContact O-N 3.2Å; V329-K333 WeakPolarHBondContact O-CG 3.24Å; V329-K333 PolarHBondContact O-N 3.15Å |
| 330 | E | 97.9 | Very high | 98.2 | Very high | 79 Ų | 79 | 33.3 Ų | 33.3 | 37% | 0.369 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.5 | -45.1 | 174.5 | 177.8 | 54.5 | -156 | 0 | 0 | 111.9 | T326 V327 M328 F332 K333 Q334 | T326-E330 WeakPolarHBondContact O-CB 3.25Å; T326-E330 PolarHBondContact O-N 2.94Å; V327-E330 PolarHBondContact O-N 3.44Å; V327-E330 VanDerWaalsContact O-N 3.17Å; M328-E330 VanDerWaalsContact C-N 3.31Å; M328-E330 PolarHBondContact O-N 3.14Å; E330-F332 VanDerWaalsContact C-N 3.28Å; E330-F332 PolarHBondContact O-N 2.99Å; E330-K333 WeakPolarHBondContact O-CB 3.39Å; E330-K333 PolarHBondContact O-N 3.28Å; E330-K333 VanDerWaalsContact O-N 3.11Å; E330-Q334 PolarHBondContact O-N 2.93Å; E330-Q334 PolarHBondContact OE1-NE2 2.86Å |
| 331 | E | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -31 | 177.4 | -60 | -66.7 | 145.5 | 0 | 0 | 111.6 | W221 R225 I227 V327 M328 Q334 G335 K361 | W221-E331 HydrophobicContact CZ2-CB 4.13Å; R225-E331 IonicContact CZ-OE2 2.82Å; R225-E331 IonicContact NE-OE2 2.75Å; R225-E331 PolarHBondContact NE-OE2 2.79Å; R225-E331 IonicContact NH2-OE1 3.73Å; R225-E331 IonicContact NH2-OE2 3.86Å; R225-E331 PolarHBondContact NH2-OE2 2.94Å; I227-E331 HydrophobicContact CD1-CB 4.11Å; I227-E331 HydrophobicContact CG2-CG 4.32Å; V327-E331 HydrophobicContact CG1-CG 4.15Å; V327-E331 WeakPolarHBondContact O-CG 3.37Å; V327-E331 PolarHBondContact O-N 2.73Å; M328-E331 PolarHBondContact O-N 3.29Å; E331-Q334 PolarHBondContact O-N 3.08Å; E331-G335 PolarHBondContact O-N 2.89Å; E331-K361 IonicContact OE1-NZ 3.73Å; E331-K361 PolarHBondContact OE1-NZ 2.72Å |
| 332 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 170 | -70.8 | -41.8 | 0 | 0 | 0 | 113.3 | W221 W240 L243 F263 F264 F267 M304 M328 E330 G335 L336 | W221-F332 AromaticContact CH2-CD1 3.61Å; W221-F332 HydrophobicContact CH2-CD1 3.61Å; W221-F332 AromaticContact CH2-CE1 3.73Å; W221-F332 HydrophobicContact CH2-CE1 3.73Å; W221-F332 HydrophobicContact CZ2-CD1 4.49Å; W221-F332 HydrophobicContact CZ3-CD1 4.23Å; W221-F332 AromaticContact CZ3-CE1 3.94Å; W221-F332 HydrophobicContact CZ3-CE1 3.94Å; W240-F332 HydrophobicContact CH2-CE1 4.12Å; W240-F332 HydrophobicContact CH2-CZ 4.12Å; W240-F332 AromaticContact CZ3-CE1 3.78Å; W240-F332 HydrophobicContact CZ3-CE1 3.78Å; W240-F332 AromaticContact CZ3-CZ 3.87Å; W240-F332 HydrophobicContact CZ3-CZ 3.87Å; L243-F332 HydrophobicContact CD1-CZ 4.18Å; F263-F332 HydrophobicContact CE1-CD1 4.24Å; F263-F332 AromaticContact CE1-CE1 3.83Å; F263-F332 HydrophobicContact CE1-CE1 3.83Å; F263-F332 HydrophobicContact CZ-CE1 4Å; F264-F332 HydrophobicContact CD1-CD1 4.17Å; F264-F332 HydrophobicContact CE1-CD1 4.45Å; F267-F332 HydrophobicContact CB-CD1 4.32Å; F267-F332 HydrophobicContact CB-CD2 3.99Å; F267-F332 HydrophobicContact CB-CE1 4.26Å; F267-F332 HydrophobicContact CB-CE2 3.95Å; F267-F332 HydrophobicContact CB-CG 4.21Å; F267-F332 HydrophobicContact CB-CZ 4.09Å; M304-F332 HydrophobicContact CE-CE2 4.13Å; M328-F332 HydrophobicContact CB-CE2 4.4Å; M328-F332 WeakPolarHBondContact O-CD2 3.47Å; M328-F332 VanDerWaalsContact O-CG 3.28Å; M328-F332 WeakPolarHBondContact O-CG 3.48Å; M328-F332 PolarHBondContact O-N 2.75Å; E330-F332 VanDerWaalsContact C-N 3.28Å; E330-F332 PolarHBondContact O-N 2.99Å; F332-G335 PolarHBondContact O-N 3.08Å; F332-L336 PolarHBondContact O-N 2.75Å |
| 333 | K | 98.6 | Very high | 98 | Very high | 106 Ų | 106 | 34 Ų | 34 | 46% | 0.461 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.8 | -40.1 | 175.9 | -67.9 | 167.2 | -173 | 173.4 | 0 | 111.4 | V329 E330 L336 A337 | V329-K333 WeakPolarHBondContact O-CG 3.24Å; V329-K333 PolarHBondContact O-N 3.15Å; E330-K333 WeakPolarHBondContact O-CB 3.39Å; E330-K333 PolarHBondContact O-N 3.28Å; E330-K333 VanDerWaalsContact O-N 3.11Å; K333-L336 PolarHBondContact O-N 2.85Å; K333-A337 PolarHBondContact O-N 2.76Å |
| 334 | Q | 98.1 | Very high | 97.9 | Very high | 65 Ų | 65 | 39.1 Ų | 39.1 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 174.7 | -66.1 | -177.1 | 24.2 | 0 | 0 | 111.5 | E330 E331 L336 A337 V338 | E330-Q334 PolarHBondContact O-N 2.93Å; E330-Q334 PolarHBondContact OE1-NE2 2.86Å; E331-Q334 PolarHBondContact O-N 3.08Å; Q334-L336 PolarHBondContact O-N 2.84Å; Q334-A337 PolarHBondContact O-N 3.42Å; Q334-V338 WeakPolarHBondContact O-CB 3.15Å; Q334-V338 VanDerWaalsContact O-CG2 3.3Å; Q334-V338 WeakPolarHBondContact O-CG2 3.44Å; Q334-V338 PolarHBondContact O-N 3Å |
| 335 | G | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | F264 E331 F332 T339 | F264-G335 WeakPolarHBondContact CD2-O 3.37Å; E331-G335 PolarHBondContact O-N 2.89Å; F332-G335 PolarHBondContact O-N 3.08Å; G335-T339 WeakPolarHBondContact O-CB 3.12Å; G335-T339 WeakPolarHBondContact O-CG2 3.39Å; G335-T339 PolarHBondContact O-N 3.47Å; G335-T339 PolarHBondContact O-OG1 3.16Å |
| 336 | L | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -55.3 | 174 | 179.2 | 58.4 | 0 | 0 | 0 | 110.7 | F264 L265 F332 K333 Q334 V338 T339 D340 | F264-L336 HydrophobicContact CB-CB 3.86Å; F264-L336 HydrophobicContact CB-CD1 4.49Å; L265-L336 HydrophobicContact CB-CD1 3.98Å; L265-L336 HydrophobicContact CD1-CD1 4.24Å; L265-L336 HydrophobicContact CD1-CD2 4.09Å; F332-L336 PolarHBondContact O-N 2.75Å; K333-L336 PolarHBondContact O-N 2.85Å; Q334-L336 PolarHBondContact O-N 2.84Å; L336-V338 VanDerWaalsContact C-N 3.29Å; L336-V338 PolarHBondContact O-N 2.98Å; L336-T339 PolarHBondContact O-N 2.93Å; L336-T339 PolarHBondContact O-OG1 3.06Å; L336-T339 VanDerWaalsContact O-OG1 3.09Å; L336-D340 WeakPolarHBondContact O-CB 3.31Å; L336-D340 PolarHBondContact O-N 3.34Å |
| 337 | A | 98.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58 | -39 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K333 Q334 E341 | K333-A337 PolarHBondContact O-N 2.76Å; Q334-A337 PolarHBondContact O-N 3.42Å; A337-E341 PolarHBondContact O-N 3.03Å; A337-E341 VanDerWaalsContact O-N 3.15Å |
| 338 | V | 98.5 | Very high | 97.5 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.9 | -40.7 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | Q334 L336 E341 I342 K351 L352 | Q334-V338 WeakPolarHBondContact O-CB 3.15Å; Q334-V338 VanDerWaalsContact O-CG2 3.3Å; Q334-V338 WeakPolarHBondContact O-CG2 3.44Å; Q334-V338 PolarHBondContact O-N 3Å; L336-V338 VanDerWaalsContact C-N 3.29Å; L336-V338 PolarHBondContact O-N 2.98Å; V338-E341 PolarHBondContact O-N 2.91Å; V338-I342 HydrophobicContact CG1-CD1 3.8Å; V338-I342 WeakPolarHBondContact O-CD1 3.27Å; V338-I342 VanDerWaalsContact O-CG1 3.24Å; V338-I342 WeakPolarHBondContact O-CG1 3.48Å; V338-I342 PolarHBondContact O-N 3.26Å; V338-K351 HydrophobicContact CG1-CB 4.2Å; V338-K351 HydrophobicContact CG1-CD 4.23Å; V338-K351 HydrophobicContact CG1-CG 3.96Å; V338-K351 HydrophobicContact CG2-CG 4.45Å; V338-L352 HydrophobicContact CB-CD1 4.45Å; V338-L352 HydrophobicContact CG1-CB 4.03Å; V338-L352 HydrophobicContact CG1-CD1 4.22Å |
| 339 | T | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.6 | -30.9 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | V260 F264 G335 L336 I342 L343 W349 L352 | V260-T339 HydrophobicContact CG1-CG2 4.29Å; F264-T339 HydrophobicContact CD2-CG2 3.73Å; F264-T339 HydrophobicContact CE2-CG2 3.79Å; G335-T339 WeakPolarHBondContact O-CB 3.12Å; G335-T339 WeakPolarHBondContact O-CG2 3.39Å; G335-T339 PolarHBondContact O-N 3.47Å; G335-T339 PolarHBondContact O-OG1 3.16Å; L336-T339 PolarHBondContact O-N 2.93Å; L336-T339 PolarHBondContact O-OG1 3.06Å; L336-T339 VanDerWaalsContact O-OG1 3.09Å; T339-I342 PolarHBondContact O-N 2.77Å; T339-L343 WeakPolarHBondContact O-CG 3.3Å; T339-L343 PolarHBondContact O-N 2.91Å; T339-W349 HydrophobicContact CG2-CH2 4.44Å; T339-W349 HydrophobicContact CG2-CZ3 3.83Å; T339-L352 HydrophobicContact CG2-CD1 4.34Å; T339-L352 HydrophobicContact CG2-CD2 4Å |
| 340 | D | 98.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 32% | 0.321 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 168 | -88.6 | -47 | 0 | 0 | 0 | 110.7 | L336 Q344 | L336-D340 WeakPolarHBondContact O-CB 3.31Å; L336-D340 PolarHBondContact O-N 3.34Å; D340-Q344 WeakPolarHBondContact O-CB 3.48Å; D340-Q344 VanDerWaalsContact O-CD 3.31Å; D340-Q344 WeakPolarHBondContact O-CG 3.23Å; D340-Q344 PolarHBondContact O-N 3.19Å; D340-Q344 VanDerWaalsContact O-N 3.12Å; D340-Q344 PolarHBondContact O-NE2 3.33Å |
| 341 | E | 98.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.9 | -75.4 | -178.6 | -143.1 | 0 | 0 | 112.7 | A337 V338 Q344 G345 K346 K351 | A337-E341 PolarHBondContact O-N 3.03Å; A337-E341 VanDerWaalsContact O-N 3.15Å; V338-E341 PolarHBondContact O-N 2.91Å; E341-Q344 CarbonylContact O-C 3.54Å; E341-Q344 PolarHBondContact O-N 3.26Å; E341-G345 PolarHBondContact O-N 3.06Å; E341-K346 HydrophobicContact CB-CB 4.25Å; E341-K346 WeakPolarHBondContact O-CB 3.38Å; E341-K346 PolarHBondContact O-N 3.24Å; E341-K351 IonicContact OE1-NZ 2.59Å; E341-K351 PolarHBondContact OE1-NZ 3.06Å; E341-K351 IonicContact OE2-NZ 2.69Å; E341-K351 PolarHBondContact OE2-NZ 3.22Å |
| 342 | I | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -49.6 | -179.6 | -69.2 | 160.8 | 0 | 0 | 0 | 110.7 | Y29 V338 T339 Q344 G345 S347 W349 L352 | Y29-I342 HydrophobicContact CD1-CG2 4.15Å; Y29-I342 HydrophobicContact CE1-CG2 4.12Å; Y29-I342 VanDerWaalsContact CE1-O 3.25Å; Y29-I342 WeakPolarHBondContact CE1-O 3.46Å; Y29-I342 VanDerWaalsContact CZ-O 3.28Å; Y29-I342 PolarHBondContact OH-O 3.36Å; Y29-I342 VanDerWaalsContact OH-O 3.06Å; V338-I342 HydrophobicContact CG1-CD1 3.8Å; V338-I342 WeakPolarHBondContact O-CD1 3.27Å; V338-I342 VanDerWaalsContact O-CG1 3.24Å; V338-I342 WeakPolarHBondContact O-CG1 3.48Å; V338-I342 PolarHBondContact O-N 3.26Å; T339-I342 PolarHBondContact O-N 2.77Å; I342-Q344 PolarHBondContact O-N 3.36Å; I342-G345 PolarHBondContact O-N 3.1Å; I342-S347 WeakPolarHBondContact CA-O 3.43Å; I342-W349 HydrophobicContact CD1-CD2 4.21Å; I342-W349 HydrophobicContact CD1-CE3 3.85Å; I342-W349 HydrophobicContact CD1-CZ3 4.36Å; I342-W349 HydrophobicContact CG2-CD2 4.02Å; I342-W349 HydrophobicContact CG2-CE3 4.47Å; I342-W349 HydrophobicContact CG2-CG 4.42Å; I342-W349 HydrophobicContact CG2-CZ2 4.1Å; I342-L352 HydrophobicContact CD1-CB 4.36Å |
| 343 | L | 93.7 | Very high | 97.2 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 27% | 0.272 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.4 | -22.5 | 179.6 | -64.6 | -175.1 | 0 | 0 | 0 | 112.9 | Y29 H261 T339 G345 | Y29-L343 HydrophobicContact CD2-CD2 3.92Å; Y29-L343 HydrophobicContact CE2-CD2 4.32Å; Y29-L343 HydrophobicContact CG-CD2 4.07Å; H261-L343 HydrophobicContact CB-CD1 3.69Å; T339-L343 WeakPolarHBondContact O-CG 3.3Å; T339-L343 PolarHBondContact O-N 2.91Å; L343-G345 PolarHBondContact O-N 2.71Å |
| 344 | Q | 94.9 | Very high | 97 | Very high | 109 Ų | 109 | 45.8 Ų | 45.8 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.2 | 169.3 | -70.9 | 168.8 | 52.4 | 0 | 0 | 113.7 | D340 E341 I342 K346 | D340-Q344 WeakPolarHBondContact O-CB 3.48Å; D340-Q344 VanDerWaalsContact O-CD 3.31Å; D340-Q344 WeakPolarHBondContact O-CG 3.23Å; D340-Q344 PolarHBondContact O-N 3.19Å; D340-Q344 VanDerWaalsContact O-N 3.12Å; D340-Q344 PolarHBondContact O-NE2 3.33Å; E341-Q344 CarbonylContact O-C 3.54Å; E341-Q344 PolarHBondContact O-N 3.26Å; I342-Q344 PolarHBondContact O-N 3.36Å; Q344-K346 VanDerWaalsContact C-N 3.28Å; Q344-K346 HydrophobicContact CB-CD 4.03Å; Q344-K346 HydrophobicContact CB-CG 4.15Å; Q344-K346 PolarHBondContact O-N 3.18Å |
| 345 | G | 94.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 55% | 0.546 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 16.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y29 E341 I342 L343 | Y29-G345 WeakPolarHBondContact OH-CA 3.2Å; Y29-G345 PolarHBondContact OH-N 3.16Å; E341-G345 PolarHBondContact O-N 3.06Å; I342-G345 PolarHBondContact O-N 3.1Å; L343-G345 PolarHBondContact O-N 2.71Å |
| 346 | K | 96.8 | Very high | 96.2 | Very high | 139 Ų | 139 | 46.6 Ų | 46.6 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -93.6 | -10.3 | -177.3 | -62.6 | 172.3 | 178.7 | 170.8 | 0 | 113.3 | E341 Q344 | E341-K346 HydrophobicContact CB-CB 4.25Å; E341-K346 WeakPolarHBondContact O-CB 3.38Å; E341-K346 PolarHBondContact O-N 3.24Å; Q344-K346 VanDerWaalsContact C-N 3.28Å; Q344-K346 HydrophobicContact CB-CD 4.03Å; Q344-K346 HydrophobicContact CB-CG 4.15Å; Q344-K346 PolarHBondContact O-N 3.18Å |
| 347 | S | 96.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -157.9 | 170.4 | 178.1 | -128.4 | 0 | 0 | 0 | 0 | 111.9 | I342 K351 | I342-S347 WeakPolarHBondContact CA-O 3.43Å; S347-K351 WeakPolarHBondContact OG-CD 3.47Å |
| 348 | D | 96.3 | Very high | 95.5 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | trans | -112.6 | 161.4 | 176.5 | -68.9 | -69.5 | 0 | 0 | 0 | 111.8 | K32 S350 K351 | K32-D348 IonicContact NZ-OD1 2.92Å; K32-D348 PolarHBondContact NZ-OD1 3.02Å; D348-S350 PolarHBondContact O-N 3.44Å; D348-K351 WeakPolarHBondContact O-CB 3.34Å; D348-K351 PolarHBondContact O-N 2.82Å | ||
| 349 | W | 97.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -56.5 | -22.8 | -178.3 | -67 | 110.2 | 0 | 0 | 0 | 114.8 | Y29 L33 A36 V260 T339 I342 K351 L352 L353 | Y29-W349 PolarHBondContact O-NE1 3.09Å; L33-W349 HydrophobicContact CB-CD2 4.08Å; L33-W349 HydrophobicContact CB-CG 4.13Å; L33-W349 HydrophobicContact CB-CZ2 4.34Å; L33-W349 HydrophobicContact CD1-CB 4.41Å; L33-W349 HydrophobicContact CD1-CD2 3.82Å; L33-W349 HydrophobicContact CD1-CE3 3.85Å; L33-W349 HydrophobicContact CD1-CG 4.08Å; L33-W349 HydrophobicContact CD1-CZ3 4.37Å; L33-W349 HydrophobicContact CG-CD2 4.44Å; L33-W349 VanDerWaalsContact N-CD1 3.35Å; A36-W349 HydrophobicContact CB-CB 3.65Å; V260-W349 HydrophobicContact CB-CH2 4.28Å; V260-W349 HydrophobicContact CB-CZ3 4.25Å; V260-W349 HydrophobicContact CG1-CH2 4.28Å; V260-W349 HydrophobicContact CG1-CZ3 3.77Å; T339-W349 HydrophobicContact CG2-CH2 4.44Å; T339-W349 HydrophobicContact CG2-CZ3 3.83Å; I342-W349 HydrophobicContact CD1-CD2 4.21Å; I342-W349 HydrophobicContact CD1-CE3 3.85Å; I342-W349 HydrophobicContact CD1-CZ3 4.36Å; I342-W349 HydrophobicContact CG2-CD2 4.02Å; I342-W349 HydrophobicContact CG2-CE3 4.47Å; I342-W349 HydrophobicContact CG2-CG 4.42Å; I342-W349 HydrophobicContact CG2-CZ2 4.1Å; W349-K351 PolarHBondContact O-N 3.17Å; W349-L352 HydrophobicContact CE3-CD2 3.87Å; W349-L352 HydrophobicContact CZ3-CD2 3.92Å; W349-L352 WeakPolarHBondContact O-CB 3.46Å; W349-L352 PolarHBondContact O-N 3.3Å; W349-L353 PolarHBondContact O-N 3.26Å |
| 350 | S | 96.4 | Very high | 95 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -55 | -35.5 | 171.6 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | D348 L352 L353 E354 | D348-S350 PolarHBondContact O-N 3.44Å; S350-L352 VanDerWaalsContact C-N 3.3Å; S350-L352 PolarHBondContact O-N 2.86Å; S350-L353 CarbonylContact O-C 3.58Å; S350-L353 PolarHBondContact O-N 2.95Å; S350-L353 VanDerWaalsContact O-N 3.08Å; S350-E354 PolarHBondContact O-N 3.08Å |
| 351 | K | 96.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -63.7 | -33 | 176.6 | -175 | 176.9 | 172.7 | -175.2 | 0 | 112.6 | V338 E341 S347 D348 W349 L353 E354 | V338-K351 HydrophobicContact CG1-CB 4.2Å; V338-K351 HydrophobicContact CG1-CD 4.23Å; V338-K351 HydrophobicContact CG1-CG 3.96Å; V338-K351 HydrophobicContact CG2-CG 4.45Å; E341-K351 IonicContact OE1-NZ 2.59Å; E341-K351 PolarHBondContact OE1-NZ 3.06Å; E341-K351 IonicContact OE2-NZ 2.69Å; E341-K351 PolarHBondContact OE2-NZ 3.22Å; S347-K351 WeakPolarHBondContact OG-CD 3.47Å; D348-K351 WeakPolarHBondContact O-CB 3.34Å; D348-K351 PolarHBondContact O-N 2.82Å; W349-K351 PolarHBondContact O-N 3.17Å; K351-L353 VanDerWaalsContact C-N 3.26Å; K351-L353 PolarHBondContact O-N 3.35Å; K351-E354 PolarHBondContact O-N 3.48Å |
| 352 | L | 97.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -69.3 | -28 | 175.5 | -174.5 | 63.9 | 0 | 0 | 0 | 111.7 | V260 F264 V338 T339 I342 W349 S350 | V260-L352 HydrophobicContact CG1-CD2 3.93Å; F264-L352 HydrophobicContact CE2-CD1 3.84Å; F264-L352 HydrophobicContact CE2-CD2 3.98Å; F264-L352 HydrophobicContact CZ-CD1 3.94Å; F264-L352 HydrophobicContact CZ-CD2 4.4Å; V338-L352 HydrophobicContact CB-CD1 4.45Å; V338-L352 HydrophobicContact CG1-CB 4.03Å; V338-L352 HydrophobicContact CG1-CD1 4.22Å; T339-L352 HydrophobicContact CG2-CD1 4.34Å; T339-L352 HydrophobicContact CG2-CD2 4Å; I342-L352 HydrophobicContact CD1-CB 4.36Å; W349-L352 HydrophobicContact CE3-CD2 3.87Å; W349-L352 HydrophobicContact CZ3-CD2 3.92Å; W349-L352 WeakPolarHBondContact O-CB 3.46Å; W349-L352 PolarHBondContact O-N 3.3Å; S350-L352 VanDerWaalsContact C-N 3.3Å; S350-L352 PolarHBondContact O-N 2.86Å |
| 353 | L | 96.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -96.3 | 5.6 | -177.8 | -51.9 | 179.4 | 0 | 0 | 0 | 113.1 | M37 F40 L220 W221 R224 W349 S350 K351 | M37-L353 HydrophobicContact CG-CD1 4.41Å; F40-L353 HydrophobicContact CD2-CD1 4.12Å; F40-L353 HydrophobicContact CE2-CB 4.35Å; F40-L353 HydrophobicContact CE2-CD1 3.7Å; F40-L353 HydrophobicContact CZ-CB 4.33Å; F40-L353 HydrophobicContact CZ-CD1 4.48Å; L220-L353 HydrophobicContact CD2-CD1 3.8Å; L220-L353 HydrophobicContact CD2-CD2 4.01Å; L220-L353 HydrophobicContact CG-CD2 4.06Å; W221-L353 HydrophobicContact CB-CD2 4.47Å; R224-L353 PolarHBondContact NE-O 3.2Å; R224-L353 PolarHBondContact NH2-O 2.78Å; R224-L353 VanDerWaalsContact NH2-O 3.14Å; W349-L353 PolarHBondContact O-N 3.26Å; S350-L353 CarbonylContact O-C 3.58Å; S350-L353 PolarHBondContact O-N 2.95Å; S350-L353 VanDerWaalsContact O-N 3.08Å; K351-L353 VanDerWaalsContact C-N 3.26Å; K351-L353 PolarHBondContact O-N 3.35Å |
| 354 | E | 93.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 125 | 170.3 | -77.8 | -173.3 | -169.5 | 0 | 0 | 110 | R225 S350 K351 K497 | R225-E354 WeakPolarHBondContact CD-O 3.35Å; R225-E354 PolarHBondContact NH1-O 3.02Å; S350-E354 PolarHBondContact O-N 3.08Å; K351-E354 PolarHBondContact O-N 3.48Å; E354-K497 IonicContact OE1-NZ 3.69Å; E354-K497 PolarHBondContact OE1-NZ 3.34Å; E354-K497 IonicContact OE2-NZ 2.93Å |
| 355 | P | 91.9 | Very high | 94.5 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -73 | 145.4 | 177.6 | 31.6 | -34 | 0 | 0 | 0 | 110.7 | R224 | R224-P355 WeakPolarHBondContact O-CA 3.2Å; R224-P355 WeakPolarHBondContact O-CB 3.34Å |
| 356 | P | 88.4 | Confident | 94.6 | Very high | 33 Ų | 33 | 50 Ų | 50 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 144 | 178.9 | 28.7 | -34.2 | 0 | 0 | 0 | 110.2 | R224 F358 | R224-P356 VanDerWaalsContact O-CD 3.29Å; R224-P356 WeakPolarHBondContact O-CD 3.43Å; P356-F358 PolarHBondContact O-N 3.15Å |
| 357 | N | 89.1 | Confident | 94.5 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | trans | -75.6 | 65.1 | 173.8 | -71.6 | -37.5 | 0 | 0 | 0 | 110.8 | F359 Q360 K361 K495 | N357-F359 PolarHBondContact O-N 3.31Å; N357-Q360 HydrophobicContact CB-CB 3.95Å; N357-Q360 HydrophobicContact CB-CG 4.18Å; N357-Q360 CarbonylContact O-C 3.28Å; N357-Q360 WeakPolarHBondContact O-CA 3.32Å; N357-Q360 WeakPolarHBondContact O-CB 3.46Å; N357-Q360 PolarHBondContact O-N 3.13Å; N357-K361 PolarHBondContact O-N 3.4Å; N357-K495 PolarHBondContact OD1-O 3.43Å | ||
| 358 | F | 94.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -48.7 | -53.4 | -174.4 | 178.3 | -85.3 | 0 | 0 | 0 | 112.2 | P356 Q360 K361 Y362 Y365 H406 N408 F429 | P356-F358 PolarHBondContact O-N 3.15Å; F358-Q360 PolarHBondContact O-N 2.93Å; F358-Q360 VanDerWaalsContact O-N 3.08Å; F358-K361 WeakPolarHBondContact O-CB 3.25Å; F358-K361 PolarHBondContact O-N 2.86Å; F358-Y362 HydrophobicContact CD2-CE2 4.22Å; F358-Y362 HydrophobicContact CE2-CE2 4.13Å; F358-Y365 HydrophobicContact CD1-CE1 4.06Å; F358-Y365 AromaticContact CE1-CD1 3.88Å; F358-Y365 HydrophobicContact CE1-CD1 3.88Å; F358-Y365 AromaticContact CE1-CE1 3.67Å; F358-Y365 HydrophobicContact CE1-CE1 3.67Å; F358-Y365 HydrophobicContact CZ-CD1 4.49Å; F358-Y365 HydrophobicContact CZ-CE1 4.39Å; F358-Y365 PolarHBondContact O-OH 2.92Å; F358-H406 AromaticContact CD2-CE1 3.7Å; F358-H406 AromaticContact CD2-ND1 3.84Å; F358-H406 AromaticContact CE2-CE1 3.67Å; F358-H406 AromaticContact CE2-CG 3.89Å; F358-H406 AromaticContact CE2-ND1 3.51Å; F358-H406 WeakPolarHBondContact CE2-O 3.46Å; F358-H406 WeakPolarHBondContact CZ-O 3.39Å; F358-N408 HydrophobicContact CD1-CB 4.26Å; F358-N408 HydrophobicContact CD2-CB 4.16Å; F358-N408 HydrophobicContact CE1-CB 3.9Å; F358-N408 HydrophobicContact CE2-CB 3.78Å; F358-N408 HydrophobicContact CG-CB 4.4Å; F358-N408 HydrophobicContact CZ-CB 3.66Å; F358-F429 HydrophobicContact CE1-CB 3.98Å; F358-F429 WeakPolarHBondContact CZ-O 3.44Å |
| 359 | F | 94.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -7.4 | 179.1 | -57.1 | -65.9 | 0 | 0 | 0 | 114.5 | N357 Y365 F412 F429 L484 L488 I492 L493 | N357-F359 PolarHBondContact O-N 3.31Å; F359-Y365 WeakPolarHBondContact CA-OH 3.44Å; F359-Y365 HydrophobicContact CD1-CE1 4.5Å; F359-Y365 PolarHBondContact O-OH 2.85Å; F359-F412 HydrophobicContact CE2-CE2 4.5Å; F359-F412 HydrophobicContact CE2-CZ 4.04Å; F359-F412 AromaticContact CZ-CE2 3.78Å; F359-F412 HydrophobicContact CZ-CE2 3.78Å; F359-F412 AromaticContact CZ-CZ 3.77Å; F359-F412 HydrophobicContact CZ-CZ 3.77Å; F359-F429 HydrophobicContact CE1-CB 3.9Å; F359-F429 HydrophobicContact CE1-CD1 4.02Å; F359-F429 HydrophobicContact CE1-CD2 4.03Å; F359-F429 AromaticContact CE1-CG 3.71Å; F359-F429 HydrophobicContact CE1-CG 3.71Å; F359-F429 HydrophobicContact CZ-CD2 4.34Å; F359-F429 HydrophobicContact CZ-CG 4.44Å; F359-L484 HydrophobicContact CB-CD1 4.02Å; F359-L484 HydrophobicContact CD1-CD1 4.1Å; F359-L488 HydrophobicContact CD1-CD1 3.66Å; F359-L488 HydrophobicContact CD2-CD1 4.28Å; F359-L488 HydrophobicContact CE1-CD1 3.31Å; F359-L488 HydrophobicContact CE2-CD1 3.98Å; F359-L488 HydrophobicContact CG-CD1 4.14Å; F359-L488 HydrophobicContact CZ-CD1 3.48Å; F359-L488 VanDerWaalsContact CZ-CD1 3.48Å; F359-I492 HydrophobicContact CD2-CG2 3.85Å; F359-I492 HydrophobicContact CE2-CG2 3.51Å; F359-I492 HydrophobicContact CZ-CG2 4.41Å; F359-L493 HydrophobicContact CB-CD2 3.73Å; F359-L493 HydrophobicContact CD1-CD2 4.47Å; F359-L493 HydrophobicContact CD2-CD2 4.43Å; F359-L493 HydrophobicContact CG-CD2 3.96Å |
| 360 | Q | 91.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 39.2 Ų | 39.2 | 42% | 0.416 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -103.3 | -22.7 | 171.6 | -58 | -68.3 | -23 | 0 | 0 | 112.9 | N357 F358 K481 L493 | N357-Q360 HydrophobicContact CB-CB 3.95Å; N357-Q360 HydrophobicContact CB-CG 4.18Å; N357-Q360 CarbonylContact O-C 3.28Å; N357-Q360 WeakPolarHBondContact O-CA 3.32Å; N357-Q360 WeakPolarHBondContact O-CB 3.46Å; N357-Q360 PolarHBondContact O-N 3.13Å; F358-Q360 PolarHBondContact O-N 2.93Å; F358-Q360 VanDerWaalsContact O-N 3.08Å; Q360-K481 PolarHBondContact O-NZ 3.46Å; Q360-L493 PolarHBondContact NE2-O 2.81Å |
| 361 | K | 92.8 | Very high | 94.1 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 38% | 0.378 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.9 | -36 | -173.4 | -168.6 | 171.2 | -178.5 | 178 | 0 | 112.8 | E331 N357 F358 | E331-K361 IonicContact OE1-NZ 3.73Å; E331-K361 PolarHBondContact OE1-NZ 2.72Å; N357-K361 PolarHBondContact O-N 3.4Å; F358-K361 WeakPolarHBondContact O-CB 3.25Å; F358-K361 PolarHBondContact O-N 2.86Å |
| 362 | Y | 94.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | trans | -109.5 | 150.4 | -176.6 | -52.1 | -84.2 | 0 | 0 | 0 | 113.2 | F358 Y365 L404 H406 I433 K481 | F358-Y362 HydrophobicContact CD2-CE2 4.22Å; F358-Y362 HydrophobicContact CE2-CE2 4.13Å; Y362-Y365 WeakPolarHBondContact CA-OH 2.91Å; Y362-Y365 AromaticContact CD2-CE1 3.93Å; Y362-Y365 HydrophobicContact CD2-CE1 3.93Å; Y362-Y365 HydrophobicContact CG-CE1 4.34Å; Y362-Y365 PolarHBondContact N-OH 2.66Å; Y362-Y365 VanDerWaalsContact O-CE2 3.27Å; Y362-Y365 WeakPolarHBondContact O-CE2 3.32Å; Y362-Y365 PolarHBondContact O-OH 3.34Å; Y362-L404 HydrophobicContact CE1-CD2 4Å; Y362-H406 HydrophobicContact CE1-CB 4.42Å; Y362-H406 HydrophobicContact CE2-CB 4.34Å; Y362-H406 AromaticContact CE2-ND1 3.55Å; Y362-H406 AromaticContact CZ-ND1 3.45Å; Y362-H406 PolarHBondContact OH-ND1 3.17Å; Y362-I433 HydrophobicContact CD1-CD1 4.3Å; Y362-I433 HydrophobicContact CD1-CG1 3.7Å; Y362-I433 HydrophobicContact CE1-CD1 3.92Å; Y362-I433 HydrophobicContact CE1-CG1 3.75Å; Y362-K481 WeakPolarHBondContact O-CD 3.42Å | ||
| 363 | R | 93.3 | Very high | 93.6 | Very high | 182 Ų | 182 | 36.9 Ų | 36.9 | 69% | 0.687 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -80.7 | -29 | 173.5 | -73.3 | -175.2 | 177.1 | -164.6 | -1.1 | 112.5 | K481 | R363-K481 WeakPolarHBondContact O-CB 3.4Å; R363-K481 PolarHBondContact O-N 3.28Å |
| 364 | H | 94.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 39 Ų | 39 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.5 | -173.7 | -59.9 | -92.1 | 0 | 0 | 0 | 109.8 | I432 F434 H478 | H364-I432 HydrophobicContact CB-CB 4.37Å; H364-I432 PolarHBondContact O-N 3.17Å; H364-F434 HydrophobicContact CB-CD2 4.46Å; H364-F434 HydrophobicContact CB-CE2 3.82Å; H364-F434 AromaticContact CD2-CD2 3.87Å; H364-F434 AromaticContact CD2-CE2 3.9Å; H364-F434 AromaticContact CG-CE2 3.66Å; H364-H478 AromaticContact ND1-NE2 3.4Å; H364-H478 PolarHBondContact ND1-NE2 2.95Å |
| 365 | Y | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.3 | 175 | -54.7 | -101.7 | 0 | 0 | 0 | 109.7 | F358 F359 Y362 L430 V479 K481 L484 | F358-Y365 HydrophobicContact CD1-CE1 4.06Å; F358-Y365 AromaticContact CE1-CD1 3.88Å; F358-Y365 HydrophobicContact CE1-CD1 3.88Å; F358-Y365 AromaticContact CE1-CE1 3.67Å; F358-Y365 HydrophobicContact CE1-CE1 3.67Å; F358-Y365 HydrophobicContact CZ-CD1 4.49Å; F358-Y365 HydrophobicContact CZ-CE1 4.39Å; F358-Y365 PolarHBondContact O-OH 2.92Å; F359-Y365 WeakPolarHBondContact CA-OH 3.44Å; F359-Y365 HydrophobicContact CD1-CE1 4.5Å; F359-Y365 PolarHBondContact O-OH 2.85Å; Y362-Y365 WeakPolarHBondContact CA-OH 2.91Å; Y362-Y365 AromaticContact CD2-CE1 3.93Å; Y362-Y365 HydrophobicContact CD2-CE1 3.93Å; Y362-Y365 HydrophobicContact CG-CE1 4.34Å; Y362-Y365 PolarHBondContact N-OH 2.66Å; Y362-Y365 VanDerWaalsContact O-CE2 3.27Å; Y362-Y365 WeakPolarHBondContact O-CE2 3.32Å; Y362-Y365 PolarHBondContact O-OH 3.34Å; Y365-L430 CarbonylContact C-O 3.49Å; Y365-L430 WeakPolarHBondContact CA-O 3.48Å; Y365-V479 PolarHBondContact N-O 3.02Å; Y365-V479 PolarHBondContact O-N 3.47Å; Y365-K481 HydrophobicContact CE2-CB 4.04Å; Y365-K481 HydrophobicContact CE2-CG 4.39Å; Y365-L484 HydrophobicContact CD2-CD1 3.91Å; Y365-L484 HydrophobicContact CD2-CD2 4.11Å; Y365-L484 HydrophobicContact CD2-CG 4.27Å; Y365-L484 HydrophobicContact CE2-CD1 3.66Å; Y365-L484 HydrophobicContact CE2-CG 4.46Å; Y365-L484 HydrophobicContact CG-CD2 4.27Å |
| 366 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.2 | 159.7 | -63 | 167.1 | 0 | 0 | 0 | 106.3 | L396 L430 I432 L447 I451 A476 T477 | I366-L396 HydrophobicContact CD1-CD1 3.73Å; I366-L396 HydrophobicContact CD1-CD2 3.78Å; I366-L396 HydrophobicContact CD1-CG 4.44Å; I366-L430 HydrophobicContact CB-CB 4.37Å; I366-L430 PolarHBondContact N-O 2.86Å; I366-L430 PolarHBondContact O-N 3.06Å; I366-I432 HydrophobicContact CD1-CD1 4Å; I366-I432 HydrophobicContact CD1-CG1 4.1Å; I366-I432 HydrophobicContact CG1-CD1 4.4Å; I366-I432 HydrophobicContact CG1-CG1 4.1Å; I366-L447 HydrophobicContact CD1-CD1 4.22Å; I366-I451 HydrophobicContact CD1-CD1 4.33Å; I366-I451 HydrophobicContact CG2-CD1 4.19Å; I366-A476 HydrophobicContact CG2-CB 4.15Å; I366-T477 CarbonylContact C-O 3.59Å; I366-T477 VanDerWaalsContact CA-O 3.31Å; I366-T477 WeakPolarHBondContact CA-O 3.36Å |
| 367 | V | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124.9 | 168.3 | -167.3 | 0 | 0 | 0 | 0 | 106.6 | M427 W428 F429 A476 T477 V479 Y487 | V367-M427 HydrophobicContact CG1-CB 4.19Å; V367-M427 HydrophobicContact CG1-CG 4.45Å; V367-M427 HydrophobicContact CG1-SD 4.3Å; V367-W428 WeakPolarHBondContact CA-O 3.26Å; V367-F429 HydrophobicContact CB-CE1 4.33Å; V367-F429 HydrophobicContact CG1-CD1 4.31Å; V367-F429 HydrophobicContact CG1-CE1 3.87Å; V367-F429 HydrophobicContact CG1-CZ 4Å; V367-F429 HydrophobicContact CG2-CD1 3.86Å; V367-F429 HydrophobicContact CG2-CE1 3.62Å; V367-A476 CarbonylContact O-C 3.53Å; V367-A476 VanDerWaalsContact O-CA 3.32Å; V367-A476 WeakPolarHBondContact O-CA 3.39Å; V367-T477 PolarHBondContact N-O 3.5Å; V367-T477 PolarHBondContact O-N 3.27Å; V367-V479 HydrophobicContact CG2-CB 4.45Å; V367-V479 HydrophobicContact CG2-CG1 3.9Å; V367-V479 HydrophobicContact CG2-CG2 3.64Å; V367-Y487 HydrophobicContact CB-CD1 4.48Å; V367-Y487 HydrophobicContact CB-CE1 4.26Å; V367-Y487 HydrophobicContact CG1-CD1 3.96Å; V367-Y487 HydrophobicContact CG1-CE1 4.09Å; V367-Y487 HydrophobicContact CG2-CD1 4.17Å; V367-Y487 HydrophobicContact CG2-CE1 4.1Å; V367-Y487 HydrophobicContact CG2-CG 4.49Å |
| 368 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.9 | 172.8 | -177.7 | 69.5 | 0 | 0 | 0 | 108.4 | V385 I389 M427 W428 F454 I474 A476 | L368-V385 HydrophobicContact CD2-CG1 4.03Å; L368-I389 HydrophobicContact CD2-CD1 3.91Å; L368-I389 HydrophobicContact CD2-CG1 3.74Å; L368-M427 CarbonylContact O-C 3.55Å; L368-M427 VanDerWaalsContact O-CA 3.24Å; L368-M427 WeakPolarHBondContact O-CA 3.44Å; L368-W428 PolarHBondContact N-O 2.75Å; L368-W428 PolarHBondContact O-N 3.11Å; L368-F454 HydrophobicContact CD1-CE1 3.73Å; L368-F454 HydrophobicContact CD2-CE1 3.87Å; L368-F454 HydrophobicContact CD2-CZ 3.97Å; L368-F454 HydrophobicContact CG-CE1 4.48Å; L368-I474 HydrophobicContact CD1-CD1 3.88Å; L368-I474 HydrophobicContact CD1-CG1 3.81Å; L368-I474 HydrophobicContact CD2-CD1 4.39Å; L368-I474 HydrophobicContact CG-CD1 4.41Å; L368-I474 HydrophobicContact CG-CG1 4.43Å; L368-A476 HydrophobicContact CD1-CB 3.85Å |
| 369 | T | 94.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.4 | -176.4 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | V425 S426 M427 I474 E475 | T369-V425 HydrophobicContact CG2-CG1 3.51Å; T369-S426 WeakPolarHBondContact CA-O 3.39Å; T369-M427 HydrophobicContact CG2-CG 4.22Å; T369-I474 WeakPolarHBondContact O-CA 3.22Å; T369-E475 PolarHBondContact N-O 3.34Å; T369-E475 PolarHBondContact O-N 2.94Å |
| 370 | A | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | V385 V425 S426 W428 K473 | A370-V385 HydrophobicContact CB-CB 4.42Å; A370-V385 HydrophobicContact CB-CG1 4.31Å; A370-V385 HydrophobicContact CB-CG2 4.06Å; A370-V425 WeakPolarHBondContact O-CA 3.14Å; A370-S426 PolarHBondContact N-O 2.9Å; A370-S426 PolarHBondContact O-N 2.9Å; A370-W428 HydrophobicContact CB-CH2 4.25Å; A370-W428 HydrophobicContact CB-CZ3 3.75Å; A370-K473 WeakPolarHBondContact CA-O 3.47Å |
| 371 | S | 93.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 12% | 0.119 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 152.1 | 179.6 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | Y424 M472 K473 | S371-Y424 CarbonylContact C-O 3.6Å; S371-Y424 WeakPolarHBondContact CA-O 3.5Å; S371-Y424 WeakPolarHBondContact CB-O 3.28Å; S371-M472 CarbonylContact O-C 3.59Å; S371-M472 WeakPolarHBondContact O-CA 3.5Å; S371-K473 PolarHBondContact N-O 3.49Å; S371-K473 PolarHBondContact O-N 3.08Å |
| 372 | A | 92.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | N377 H378 Y424 M472 | A372-N377 HydrophobicContact CB-CB 4.05Å; A372-H378 HydrophobicContact CB-CB 4.06Å; A372-Y424 PolarHBondContact N-O 3.16Å; A372-Y424 PolarHBondContact O-N 2.87Å; A372-M472 HydrophobicContact CB-CG 4.12Å |
| 373 | S | 90.4 | Very high | 92 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 37% | 0.371 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -80.6 | -12.3 | -174.7 | -46.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 374 | T | 89.5 | Confident | 91.9 | Very high | 49 Ų | 49 | 28.8 Ų | 28.8 | 30% | 0.301 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -139.5 | 157.3 | 176.2 | 71 | 0 | 0 | 0 | 0 | 110 | E376 N377 H378 Y424 | T374-E376 VanDerWaalsContact C-N 3.35Å; T374-E376 PolarHBondContact O-N 2.87Å; T374-N377 PolarHBondContact O-N 2.75Å; T374-N377 WeakPolarHBondContact OG1-CB 3.37Å; T374-N377 PolarHBondContact OG1-N 2.97Å; T374-N377 PolarHBondContact OG1-ND2 2.91Å; T374-N377 VanDerWaalsContact OG1-ND2 3.16Å; T374-H378 VanDerWaalsContact O-CB 3.26Å; T374-H378 WeakPolarHBondContact O-CB 3.25Å; T374-H378 PolarHBondContact O-N 2.87Å; T374-Y424 VanDerWaalsContact C-CD2 3.47Å |
| 375 | E | 88.1 | Confident | 91.9 | Very high | 118 Ų | 118 | 27.4 Ų | 27.4 | 55% | 0.551 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -61.9 | -42 | -179.2 | -161.9 | 155 | 179.7 | 0 | 0 | 112.5 | H378 L379 Y424 | E375-H378 WeakPolarHBondContact O-CB 3.49Å; E375-H378 PolarHBondContact O-N 3.18Å; E375-L379 WeakPolarHBondContact O-CB 3.13Å; E375-L379 PolarHBondContact O-N 3.46Å; E375-Y424 HydrophobicContact CB-CD1 3.93Å; E375-Y424 HydrophobicContact CB-CE1 3.43Å; E375-Y424 VanDerWaalsContact CB-CE1 3.43Å; E375-Y424 HydrophobicContact CB-CE2 4.37Å; E375-Y424 HydrophobicContact CG-CD1 4Å; E375-Y424 HydrophobicContact CG-CE1 3.65Å; E375-Y424 WeakPolarHBondContact OE2-CE1 3.5Å |
| 376 | E | 86.7 | Confident | 91.8 | Very high | 98 Ų | 98 | 29.6 Ų | 29.6 | 46% | 0.458 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.7 | -49.8 | 180 | -53.6 | 166.3 | 141.8 | 0 | 0 | 110.8 | T374 H378 L379 E380 N535 | T374-E376 VanDerWaalsContact C-N 3.35Å; T374-E376 PolarHBondContact O-N 2.87Å; E376-H378 VanDerWaalsContact C-N 3.31Å; E376-H378 PolarHBondContact O-N 2.62Å; E376-L379 PolarHBondContact O-N 3.36Å; E376-E380 PolarHBondContact O-N 3.35Å; E376-E380 VanDerWaalsContact O-N 3.11Å; E376-N535 PolarHBondContact OE1-ND2 2.99Å |
| 377 | N | 89.7 | Confident | 91.6 | Very high | 25 Ų | 25 | 31 Ų | 31 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -34.9 | 176.4 | -66.9 | -13.3 | 0 | 0 | 0 | 111.1 | A372 T374 W381 K469 M472 | A372-N377 HydrophobicContact CB-CB 4.05Å; T374-N377 PolarHBondContact O-N 2.75Å; T374-N377 WeakPolarHBondContact OG1-CB 3.37Å; T374-N377 PolarHBondContact OG1-N 2.97Å; T374-N377 PolarHBondContact OG1-ND2 2.91Å; T374-N377 VanDerWaalsContact OG1-ND2 3.16Å; N377-W381 WeakPolarHBondContact O-CB 3.12Å; N377-W381 PolarHBondContact O-N 3.29Å; N377-K469 HydrophobicContact CB-CD 4.46Å; N377-K469 VanDerWaalsContact CG-CD 3.46Å; N377-K469 WeakPolarHBondContact OD1-CD 3.32Å; N377-K469 WeakPolarHBondContact OD1-CE 3.39Å; N377-K469 PolarHBondContact OD1-NZ 2.85Å; N377-M472 HydrophobicContact CB-CE 3.8Å; N377-M472 WeakPolarHBondContact O-CE 3.42Å |
| 378 | H | 90.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.6 | 177 | -111.8 | 0 | 0 | 0 | 111.5 | A372 T374 E375 E376 W381 V382 Y424 S426 | A372-H378 HydrophobicContact CB-CB 4.06Å; T374-H378 VanDerWaalsContact O-CB 3.26Å; T374-H378 WeakPolarHBondContact O-CB 3.25Å; T374-H378 PolarHBondContact O-N 2.87Å; E375-H378 WeakPolarHBondContact O-CB 3.49Å; E375-H378 PolarHBondContact O-N 3.18Å; E376-H378 VanDerWaalsContact C-N 3.31Å; E376-H378 PolarHBondContact O-N 2.62Å; H378-W381 PolarHBondContact O-N 2.86Å; H378-V382 WeakPolarHBondContact NE2-CG2 3.37Å; H378-V382 WeakPolarHBondContact O-CB 3.43Å; H378-V382 WeakPolarHBondContact O-CG2 3.17Å; H378-V382 PolarHBondContact O-N 2.79Å; H378-Y424 HydrophobicContact CB-CG 4.3Å; H378-Y424 PolarHBondContact CD2-O 3.09Å; H378-Y424 VanDerWaalsContact CD2-O 3.31Å; H378-Y424 VanDerWaalsContact CG-CB 3.44Å; H378-S426 PolarHBondContact CE1-OG 3.22Å; H378-S426 PolarHBondContact NE2-N 3.23Å; H378-S426 PolarHBondContact NE2-OG 2.88Å; H378-S426 VanDerWaalsContact NE2-OG 3.09Å |
| 379 | L | 87.9 | Confident | 91.6 | Very high | 65 Ų | 65 | 32.8 Ų | 32.8 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68 | -39 | -179.8 | -171.3 | 59.1 | 0 | 0 | 0 | 112.5 | E375 E376 G383 P533 F534 | E375-L379 WeakPolarHBondContact O-CB 3.13Å; E375-L379 PolarHBondContact O-N 3.46Å; E376-L379 PolarHBondContact O-N 3.36Å; L379-G383 PolarHBondContact O-N 2.89Å; L379-P533 HydrophobicContact CB-CB 4.34Å; L379-P533 HydrophobicContact CD2-CB 3.86Å; L379-P533 HydrophobicContact CG-CB 3.8Å; L379-F534 HydrophobicContact CD2-CB 4.31Å |
| 380 | E | 87.7 | Confident | 91.6 | Very high | 44 Ų | 44 | 35.1 Ų | 35.1 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.7 | -52.9 | 167.3 | -76.1 | 175.5 | -179.4 | 0 | 0 | 111.9 | E376 G383 L384 M467 K469 P533 | E376-E380 PolarHBondContact O-N 3.35Å; E376-E380 VanDerWaalsContact O-N 3.11Å; E380-G383 PolarHBondContact O-N 3.39Å; E380-L384 PolarHBondContact O-N 2.97Å; E380-L384 VanDerWaalsContact O-N 3.09Å; E380-M467 HydrophobicContact CB-CE 4.28Å; E380-M467 HydrophobicContact CB-CG 4.3Å; E380-M467 HydrophobicContact CB-SD 3.97Å; E380-K469 IonicContact OE1-NZ 3.24Å; E380-K469 PolarHBondContact OE1-NZ 3.44Å; E380-K469 IonicContact OE2-NZ 2.63Å; E380-K469 PolarHBondContact OE2-NZ 2.87Å; E380-P533 HydrophobicContact CG-CB 4.46Å; E380-P533 HydrophobicContact CG-CG 3.89Å |
| 381 | W | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | -174.7 | -176.9 | -125.2 | 0 | 0 | 0 | 112.3 | N377 H378 G383 L384 V385 V458 Y459 A462 M467 L468 M472 K473 I474 | N377-W381 WeakPolarHBondContact O-CB 3.12Å; N377-W381 PolarHBondContact O-N 3.29Å; H378-W381 PolarHBondContact O-N 2.86Å; W381-G383 PolarHBondContact O-N 3.41Å; W381-L384 HydrophobicContact CE3-CD2 4.36Å; W381-L384 HydrophobicContact CZ3-CD2 4.19Å; W381-L384 PolarHBondContact O-N 2.86Å; W381-V385 HydrophobicContact CD2-CG2 4.07Å; W381-V385 HydrophobicContact CG-CG2 4.43Å; W381-V385 HydrophobicContact CZ2-CG2 4.21Å; W381-V385 WeakPolarHBondContact O-CB 3.2Å; W381-V385 VanDerWaalsContact O-CG2 3.28Å; W381-V385 WeakPolarHBondContact O-CG2 3.38Å; W381-V385 PolarHBondContact O-N 2.95Å; W381-V458 HydrophobicContact CH2-CG1 3.68Å; W381-V458 HydrophobicContact CZ2-CG1 4.31Å; W381-V458 HydrophobicContact CZ3-CG1 4.06Å; W381-Y459 AromaticContact CH2-CD1 3.79Å; W381-Y459 HydrophobicContact CH2-CD1 3.79Å; W381-Y459 AromaticContact CH2-CE1 3.72Å; W381-Y459 HydrophobicContact CH2-CE1 3.72Å; W381-Y459 HydrophobicContact CZ2-CD1 4.49Å; W381-Y459 AromaticContact CZ2-CE1 3.98Å; W381-Y459 HydrophobicContact CZ2-CE1 3.98Å; W381-A462 HydrophobicContact CZ3-CB 3.78Å; W381-M467 HydrophobicContact CE3-CE 3.8Å; W381-L468 HydrophobicContact CE3-CD1 4.33Å; W381-L468 HydrophobicContact CH2-CD1 3.82Å; W381-L468 HydrophobicContact CZ3-CD1 3.63Å; W381-M472 HydrophobicContact CB-CE 4.2Å; W381-M472 HydrophobicContact CB-CG 4.3Å; W381-M472 HydrophobicContact CB-SD 4.17Å; W381-M472 HydrophobicContact CD2-CB 4.02Å; W381-M472 HydrophobicContact CD2-CG 4.23Å; W381-M472 HydrophobicContact CD2-SD 4.11Å; W381-M472 HydrophobicContact CE3-CB 4.27Å; W381-M472 HydrophobicContact CE3-CG 4.43Å; W381-M472 HydrophobicContact CE3-SD 3.77Å; W381-M472 HydrophobicContact CG-CB 4.31Å; W381-M472 HydrophobicContact CG-CG 4.18Å; W381-M472 HydrophobicContact CG-SD 4.31Å; W381-M472 HydrophobicContact CZ2-CB 4.5Å; W381-M472 HydrophobicContact CZ3-SD 4.47Å; W381-K473 PolarHBondContact NE1-O 3.42Å; W381-I474 HydrophobicContact CH2-CG2 4.49Å; W381-I474 HydrophobicContact CZ2-CB 3.82Å; W381-I474 HydrophobicContact CZ2-CG2 3.96Å |
| 382 | V | 92.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.5 | -47.9 | 176.1 | 162 | 0 | 0 | 0 | 0 | 111 | H378 L384 V385 E386 W428 | H378-V382 WeakPolarHBondContact NE2-CG2 3.37Å; H378-V382 WeakPolarHBondContact O-CB 3.43Å; H378-V382 WeakPolarHBondContact O-CG2 3.17Å; H378-V382 PolarHBondContact O-N 2.79Å; V382-L384 PolarHBondContact O-N 3.05Å; V382-V385 PolarHBondContact O-N 3.34Å; V382-E386 VanDerWaalsContact O-CB 3.29Å; V382-E386 WeakPolarHBondContact O-CB 3.46Å; V382-E386 PolarHBondContact O-N 3.11Å; V382-W428 HydrophobicContact CB-CH2 4.28Å; V382-W428 HydrophobicContact CG1-CH2 3.89Å; V382-W428 HydrophobicContact CG1-CZ2 3.88Å; V382-W428 HydrophobicContact CG2-CH2 4.15Å |
| 383 | G | 89.9 | Confident | 92 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L379 E380 W381 S387 | L379-G383 PolarHBondContact O-N 2.89Å; E380-G383 PolarHBondContact O-N 3.39Å; W381-G383 PolarHBondContact O-N 3.41Å; G383-S387 WeakPolarHBondContact O-CB 3.47Å; G383-S387 PolarHBondContact O-N 3.45Å; G383-S387 VanDerWaalsContact O-N 3.08Å |
| 384 | L | 91.8 | Very high | 92.2 | Very high | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -48.7 | 172.5 | 179.5 | 62.9 | 0 | 0 | 0 | 111.3 | E380 W381 V382 E386 S387 K388 A462 I465 M467 | E380-L384 PolarHBondContact O-N 2.97Å; E380-L384 VanDerWaalsContact O-N 3.09Å; W381-L384 HydrophobicContact CE3-CD2 4.36Å; W381-L384 HydrophobicContact CZ3-CD2 4.19Å; W381-L384 PolarHBondContact O-N 2.86Å; V382-L384 PolarHBondContact O-N 3.05Å; L384-E386 PolarHBondContact O-N 2.86Å; L384-S387 WeakPolarHBondContact O-CB 3.29Å; L384-S387 PolarHBondContact O-N 2.9Å; L384-S387 PolarHBondContact O-OG 2.96Å; L384-K388 WeakPolarHBondContact O-CG 3.44Å; L384-K388 PolarHBondContact O-N 3.48Å; L384-A462 HydrophobicContact CD2-CB 3.55Å; L384-I465 HydrophobicContact CD1-CD1 4.47Å; L384-I465 HydrophobicContact CD2-CD1 4.4Å; L384-M467 HydrophobicContact CB-CE 3.79Å; L384-M467 HydrophobicContact CB-SD 4.29Å; L384-M467 HydrophobicContact CD2-CE 3.58Å; L384-M467 HydrophobicContact CD2-SD 4.31Å; L384-M467 HydrophobicContact CG-CE 4.33Å |
| 385 | V | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | -179.7 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | L368 A370 W381 V382 S387 K388 I389 W428 V458 I474 | L368-V385 HydrophobicContact CD2-CG1 4.03Å; A370-V385 HydrophobicContact CB-CB 4.42Å; A370-V385 HydrophobicContact CB-CG1 4.31Å; A370-V385 HydrophobicContact CB-CG2 4.06Å; W381-V385 HydrophobicContact CD2-CG2 4.07Å; W381-V385 HydrophobicContact CG-CG2 4.43Å; W381-V385 HydrophobicContact CZ2-CG2 4.21Å; W381-V385 WeakPolarHBondContact O-CB 3.2Å; W381-V385 VanDerWaalsContact O-CG2 3.28Å; W381-V385 WeakPolarHBondContact O-CG2 3.38Å; W381-V385 PolarHBondContact O-N 2.95Å; V382-V385 PolarHBondContact O-N 3.34Å; V385-S387 VanDerWaalsContact C-N 3.29Å; V385-S387 PolarHBondContact O-N 3.48Å; V385-K388 WeakPolarHBondContact O-CA 3.4Å; V385-K388 PolarHBondContact O-N 2.81Å; V385-I389 HydrophobicContact CG1-CG1 4.47Å; V385-I389 WeakPolarHBondContact O-CG1 3.44Å; V385-I389 PolarHBondContact O-N 2.68Å; V385-W428 HydrophobicContact CB-CH2 4.37Å; V385-W428 HydrophobicContact CG1-CH2 4.09Å; V385-W428 HydrophobicContact CG1-CZ3 3.92Å; V385-V458 HydrophobicContact CG2-CG1 4.1Å; V385-I474 HydrophobicContact CB-CD1 4.45Å; V385-I474 HydrophobicContact CG1-CD1 3.69Å; V385-I474 HydrophobicContact CG1-CG1 4.45Å; V385-I474 HydrophobicContact CG2-CD1 3.93Å; V385-I474 HydrophobicContact CG2-CG1 4.49Å |
| 386 | E | 93.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 27.6 Ų | 27.6 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.4 | -42.1 | 178.9 | -165.4 | 160.8 | -114.1 | 0 | 0 | 111.7 | M231 L232 V382 L384 K388 I389 W428 | M231-E386 HydrophobicContact SD-CB 4.22Å; M231-E386 HydrophobicContact SD-CG 4.02Å; L232-E386 HydrophobicContact CD2-CG 4.06Å; V382-E386 VanDerWaalsContact O-CB 3.29Å; V382-E386 WeakPolarHBondContact O-CB 3.46Å; V382-E386 PolarHBondContact O-N 3.11Å; L384-E386 PolarHBondContact O-N 2.86Å; E386-K388 PolarHBondContact O-N 2.9Å; E386-I389 PolarHBondContact O-N 3.09Å; E386-I389 VanDerWaalsContact O-N 3.15Å; E386-W428 HydrophobicContact CB-CZ2 3.93Å; E386-W428 HydrophobicContact CG-CZ2 4.31Å; E386-W428 PolarHBondContact OE1-NE1 3.24Å |
| 387 | S | 90.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 25.3 Ų | 25.3 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -16.4 | 175.4 | 86.2 | 0 | 0 | 0 | 0 | 114.6 | M231 G383 L384 V385 R390 | M231-S387 VanDerWaalsContact SD-CA 3.59Å; G383-S387 WeakPolarHBondContact O-CB 3.47Å; G383-S387 PolarHBondContact O-N 3.45Å; G383-S387 VanDerWaalsContact O-N 3.08Å; L384-S387 WeakPolarHBondContact O-CB 3.29Å; L384-S387 PolarHBondContact O-N 2.9Å; L384-S387 PolarHBondContact O-OG 2.96Å; V385-S387 VanDerWaalsContact C-N 3.29Å; V385-S387 PolarHBondContact O-N 3.48Å; S387-R390 PolarHBondContact O-NH1 2.9Å |
| 388 | K | 94.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 17% | 0.17 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -7.8 | 179.5 | -51.1 | -55 | 176.3 | 179.4 | 0 | 114.1 | L384 V385 E386 R390 V391 F454 V458 | L384-K388 WeakPolarHBondContact O-CG 3.44Å; L384-K388 PolarHBondContact O-N 3.48Å; V385-K388 WeakPolarHBondContact O-CA 3.4Å; V385-K388 PolarHBondContact O-N 2.81Å; E386-K388 PolarHBondContact O-N 2.9Å; K388-R390 PolarHBondContact O-N 3.11Å; K388-R390 VanDerWaalsContact O-N 3.1Å; K388-V391 HydrophobicContact CB-CG2 4.5Å; K388-V391 WeakPolarHBondContact O-CA 3.48Å; K388-V391 WeakPolarHBondContact O-CB 3.39Å; K388-V391 WeakPolarHBondContact O-CG2 3.42Å; K388-V391 PolarHBondContact O-N 2.64Å; K388-F454 HydrophobicContact CB-CE2 3.85Å; K388-F454 WeakPolarHBondContact O-CE2 3.34Å; K388-V458 HydrophobicContact CB-CG2 4Å; K388-V458 HydrophobicContact CG-CG2 4.22Å |
| 389 | I | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.5 | -31.4 | -175.5 | -61.8 | 177.7 | 0 | 0 | 0 | 112.3 | L232 L368 V385 E386 V391 L392 V393 V407 W428 L430 | L232-I389 HydrophobicContact CD2-CB 3.73Å; L232-I389 HydrophobicContact CD2-CD1 4.24Å; L232-I389 HydrophobicContact CD2-CG1 4.4Å; L232-I389 HydrophobicContact CD2-CG2 4.21Å; L368-I389 HydrophobicContact CD2-CD1 3.91Å; L368-I389 HydrophobicContact CD2-CG1 3.74Å; V385-I389 HydrophobicContact CG1-CG1 4.47Å; V385-I389 WeakPolarHBondContact O-CG1 3.44Å; V385-I389 PolarHBondContact O-N 2.68Å; E386-I389 PolarHBondContact O-N 3.09Å; E386-I389 VanDerWaalsContact O-N 3.15Å; I389-V391 PolarHBondContact O-N 2.99Å; I389-L392 WeakPolarHBondContact O-CA 3.27Å; I389-L392 WeakPolarHBondContact O-CB 3.3Å; I389-L392 PolarHBondContact O-N 3.07Å; I389-V393 PolarHBondContact O-N 3.26Å; I389-V407 HydrophobicContact CG2-CB 4.41Å; I389-V407 HydrophobicContact CG2-CG2 3.8Å; I389-W428 HydrophobicContact CD1-CB 4.07Å; I389-W428 HydrophobicContact CD1-CD2 3.56Å; I389-W428 HydrophobicContact CD1-CE3 4.16Å; I389-W428 HydrophobicContact CD1-CG 3.52Å; I389-W428 HydrophobicContact CD1-CZ2 4.43Å; I389-L430 HydrophobicContact CG2-CD1 4.28Å |
| 390 | R | 95.4 | Very high | 93.5 | Very high | 76 Ų | 76 | 36.5 Ų | 36.5 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.3 | -23.1 | 172.4 | 69.6 | 177.5 | 178.8 | -65.9 | -7.2 | 114.2 | M231 N319 S387 K388 G394 | M231-R390 WeakPolarHBondContact O-CD 3.32Å; M231-R390 PolarHBondContact O-NH1 3.44Å; N319-R390 PolarHBondContact OD1-NE 3.03Å; S387-R390 PolarHBondContact O-NH1 2.9Å; K388-R390 PolarHBondContact O-N 3.11Å; K388-R390 VanDerWaalsContact O-N 3.1Å; R390-G394 PolarHBondContact O-N 3.32Å |
| 391 | V | 95.5 | Very high | 93.6 | Very high | 49 Ų | 49 | 37.9 Ų | 37.9 | 30% | 0.297 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -71 | -38.6 | 171.3 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | K388 I389 G394 N395 F454 | K388-V391 HydrophobicContact CB-CG2 4.5Å; K388-V391 WeakPolarHBondContact O-CA 3.48Å; K388-V391 WeakPolarHBondContact O-CB 3.39Å; K388-V391 WeakPolarHBondContact O-CG2 3.42Å; K388-V391 PolarHBondContact O-N 2.64Å; I389-V391 PolarHBondContact O-N 2.99Å; V391-G394 CarbonylContact O-C 3.55Å; V391-G394 PolarHBondContact O-N 3.23Å; V391-N395 PolarHBondContact O-N 3.08Å; V391-N395 PolarHBondContact O-OD1 2.84Å; V391-F454 HydrophobicContact CB-CD2 4.33Å |
| 392 | L | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 172 | 179.7 | 57.1 | 0 | 0 | 0 | 111.1 | I389 G394 N395 L396 L430 I451 F454 | I389-L392 WeakPolarHBondContact O-CA 3.27Å; I389-L392 WeakPolarHBondContact O-CB 3.3Å; I389-L392 PolarHBondContact O-N 3.07Å; L392-G394 VanDerWaalsContact C-N 3.31Å; L392-G394 PolarHBondContact O-N 3.4Å; L392-N395 PolarHBondContact O-N 2.99Å; L392-L396 HydrophobicContact CD1-CD1 3.94Å; L392-L396 HydrophobicContact CD1-CG 4.02Å; L392-L396 HydrophobicContact CG-CD1 3.84Å; L392-L396 HydrophobicContact CG-CG 4.38Å; L392-L396 WeakPolarHBondContact O-CB 3.18Å; L392-L396 VanDerWaalsContact O-CG 3.25Å; L392-L396 WeakPolarHBondContact O-CG 3.15Å; L392-L396 PolarHBondContact O-N 3.23Å; L392-L430 HydrophobicContact CD2-CD2 3.86Å; L392-L430 HydrophobicContact CG-CD2 4.02Å; L392-I451 HydrophobicContact CD1-CD1 3.8Å; L392-I451 HydrophobicContact CD2-CD1 4.48Å; L392-F454 HydrophobicContact CB-CB 4.27Å; L392-F454 HydrophobicContact CB-CD1 3.99Å; L392-F454 HydrophobicContact CB-CD2 3.73Å; L392-F454 HydrophobicContact CB-CE1 4.26Å; L392-F454 HydrophobicContact CB-CE2 4.03Å; L392-F454 HydrophobicContact CB-CG 3.7Å; L392-F454 HydrophobicContact CB-CZ 4.29Å; L392-F454 HydrophobicContact CD1-CB 4Å; L392-F454 HydrophobicContact CD1-CD1 4.16Å; L392-F454 HydrophobicContact CD1-CG 4.12Å; L392-F454 HydrophobicContact CD2-CD1 4Å; L392-F454 HydrophobicContact CD2-CE1 4.08Å; L392-F454 HydrophobicContact CG-CD1 4.27Å; L392-F454 HydrophobicContact CG-CG 4.31Å |
| 393 | V | 96.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -45 | 172.7 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | I389 N395 L396 E397 A405 V407 L430 | I389-V393 PolarHBondContact O-N 3.26Å; V393-N395 PolarHBondContact O-N 3.48Å; V393-L396 PolarHBondContact O-N 3.31Å; V393-E397 WeakPolarHBondContact O-CG 3.49Å; V393-E397 PolarHBondContact O-N 2.96Å; V393-A405 HydrophobicContact CG1-CB 4.29Å; V393-V407 HydrophobicContact CG2-CB 4.25Å; V393-V407 HydrophobicContact CG2-CG1 4.23Å; V393-L430 HydrophobicContact CG2-CD2 4.05Å |
| 394 | G | 95.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 19% | 0.186 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.9 | -31.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R390 V391 L392 R398 | R390-G394 PolarHBondContact O-N 3.32Å; V391-G394 CarbonylContact O-C 3.55Å; V391-G394 PolarHBondContact O-N 3.23Å; L392-G394 VanDerWaalsContact C-N 3.31Å; L392-G394 PolarHBondContact O-N 3.4Å; G394-R398 WeakPolarHBondContact O-CG 3.08Å; G394-R398 PolarHBondContact O-NE 3.1Å |
| 395 | N | 94.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.8 | -53.7 | 169.6 | -75.2 | 2.2 | 0 | 0 | 0 | 110.1 | V391 L392 V393 E397 R398 N399 D450 S453 | V391-N395 PolarHBondContact O-N 3.08Å; V391-N395 PolarHBondContact O-OD1 2.84Å; L392-N395 PolarHBondContact O-N 2.99Å; V393-N395 PolarHBondContact O-N 3.48Å; N395-E397 PolarHBondContact O-N 3.41Å; N395-R398 PolarHBondContact O-N 2.93Å; N395-R398 PolarHBondContact OD1-NH2 2.98Å; N395-N399 PolarHBondContact O-N 3.32Å; N395-D450 HydrophobicContact CB-CB 4.1Å; N395-D450 PolarHBondContact ND2-O 2.91Å; N395-S453 PolarHBondContact ND2-OG 2.77Å |
| 396 | L | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | -176.3 | -67.4 | 168.2 | 0 | 0 | 0 | 113 | I366 L392 V393 R398 N399 I402 A405 L430 I432 L447 D450 | I366-L396 HydrophobicContact CD1-CD1 3.73Å; I366-L396 HydrophobicContact CD1-CD2 3.78Å; I366-L396 HydrophobicContact CD1-CG 4.44Å; L392-L396 HydrophobicContact CD1-CD1 3.94Å; L392-L396 HydrophobicContact CD1-CG 4.02Å; L392-L396 HydrophobicContact CG-CD1 3.84Å; L392-L396 HydrophobicContact CG-CG 4.38Å; L392-L396 WeakPolarHBondContact O-CB 3.18Å; L392-L396 VanDerWaalsContact O-CG 3.25Å; L392-L396 WeakPolarHBondContact O-CG 3.15Å; L392-L396 PolarHBondContact O-N 3.23Å; V393-L396 PolarHBondContact O-N 3.31Å; L396-R398 VanDerWaalsContact C-N 3.26Å; L396-R398 PolarHBondContact O-N 3.17Å; L396-N399 WeakPolarHBondContact O-CB 3.31Å; L396-N399 PolarHBondContact O-N 3.14Å; L396-I402 HydrophobicContact CB-CD1 3.93Å; L396-I402 HydrophobicContact CD2-CD1 3.68Å; L396-I402 HydrophobicContact CG-CD1 4.39Å; L396-I402 VanDerWaalsContact O-CB 3.27Å; L396-I402 WeakPolarHBondContact O-CB 3.29Å; L396-I402 WeakPolarHBondContact O-CD1 3.27Å; L396-I402 WeakPolarHBondContact O-CG2 3.3Å; L396-A405 HydrophobicContact CB-CB 3.8Å; L396-A405 HydrophobicContact CD1-CB 4.07Å; L396-L430 HydrophobicContact CD1-CD2 3.93Å; L396-I432 HydrophobicContact CD1-CD1 4.15Å; L396-L447 HydrophobicContact CD2-CD1 4.42Å; L396-D450 HydrophobicContact CD2-CB 4.27Å |
| 397 | E | 93.8 | Very high | 94.6 | Very high | 49 Ų | 49 | 38 Ų | 38 | 23% | 0.229 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.9 | 178.5 | 77.6 | 178.2 | -137.4 | 0 | 0 | 114.7 | S321 T322 S323 V393 N395 | S321-E397 WeakPolarHBondContact CB-OE1 3.1Å; S321-E397 VanDerWaalsContact CB-OE2 3.27Å; S321-E397 WeakPolarHBondContact CB-OE2 3.32Å; S321-E397 PolarHBondContact OG-OE2 2.79Å; T322-E397 WeakPolarHBondContact CA-OE1 3.42Å; T322-E397 WeakPolarHBondContact CB-OE1 3.24Å; T322-E397 PolarHBondContact N-OE1 2.9Å; T322-E397 PolarHBondContact N-OE2 3.2Å; T322-E397 PolarHBondContact OG1-OE1 2.94Å; S323-E397 WeakPolarHBondContact CB-OE2 3.38Å; S323-E397 PolarHBondContact N-OE2 3.19Å; S323-E397 PolarHBondContact OG-OE2 2.87Å; V393-E397 WeakPolarHBondContact O-CG 3.49Å; V393-E397 PolarHBondContact O-N 2.96Å; N395-E397 PolarHBondContact O-N 3.41Å |
| 398 | R | 92.9 | Very high | 94.9 | Very high | 183 Ų | 183 | 37.5 Ų | 37.5 | 69% | 0.691 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -14.6 | 168.2 | -71.6 | -179.9 | -70.5 | -168.8 | 2.2 | 113 | G394 N395 L396 E400 | G394-R398 WeakPolarHBondContact O-CG 3.08Å; G394-R398 PolarHBondContact O-NE 3.1Å; N395-R398 PolarHBondContact O-N 2.93Å; N395-R398 PolarHBondContact OD1-NH2 2.98Å; L396-R398 VanDerWaalsContact C-N 3.26Å; L396-R398 PolarHBondContact O-N 3.17Å; R398-E400 PolarHBondContact O-N 2.92Å |
| 399 | N | 92.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 37 Ų | 37 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -70.8 | 122.8 | 175.6 | -172.5 | -60.5 | 0 | 0 | 0 | 110.1 | N395 L396 F401 I402 L447 D450 | N395-N399 PolarHBondContact O-N 3.32Å; L396-N399 WeakPolarHBondContact O-CB 3.31Å; L396-N399 PolarHBondContact O-N 3.14Å; N399-F401 PolarHBondContact O-N 3.19Å; N399-F401 VanDerWaalsContact O-N 3.08Å; N399-F401 WeakPolarHBondContact OD1-CD2 3.48Å; N399-F401 PolarHBondContact OD1-N 3.4Å; N399-I402 HydrophobicContact CB-CB 4.42Å; N399-I402 HydrophobicContact CB-CD1 4.19Å; N399-I402 HydrophobicContact CB-CG1 4.28Å; N399-I402 PolarHBondContact O-N 3.19Å; N399-L447 WeakPolarHBondContact ND2-CD2 3.46Å; N399-D450 PolarHBondContact ND2-OD2 2.83Å |
| 400 | E | 90.1 | Very high | 94.6 | Very high | 144 Ų | 144 | 41.8 Ų | 41.8 | 67% | 0.673 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.1 | -173.8 | -60.2 | -172.3 | 160.1 | 0 | 0 | 114 | R398 I402 R435 | R398-E400 PolarHBondContact O-N 2.92Å; E400-I402 VanDerWaalsContact C-N 3.33Å; E400-R435 PolarHBondContact O-NE 3.37Å; E400-R435 PolarHBondContact O-NH1 2.92Å; E400-R435 PolarHBondContact O-NH2 2.86Å; E400-R435 VanDerWaalsContact O-NH2 3.13Å |
| 401 | F | 90.5 | Very high | 94.5 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -6.6 | 179.1 | -55.5 | -74.8 | 0 | 0 | 0 | 113.4 | N399 F434 R435 V437 V443 I445 | N399-F401 PolarHBondContact O-N 3.19Å; N399-F401 VanDerWaalsContact O-N 3.08Å; N399-F401 WeakPolarHBondContact OD1-CD2 3.48Å; N399-F401 PolarHBondContact OD1-N 3.4Å; F401-F434 CarbonylContact O-C 3.51Å; F401-F434 VanDerWaalsContact O-CA 3.26Å; F401-F434 WeakPolarHBondContact O-CA 3.41Å; F401-F434 WeakPolarHBondContact O-CD1 3.31Å; F401-R435 PolarHBondContact O-N 3.48Å; F401-V437 HydrophobicContact CD1-CG2 4.46Å; F401-V443 HydrophobicContact CD1-CG1 3.89Å; F401-V443 HydrophobicContact CE1-CG1 3.83Å; F401-I445 HydrophobicContact CB-CD1 3.57Å; F401-I445 HydrophobicContact CB-CG1 3.86Å; F401-I445 HydrophobicContact CB-CG2 4.13Å; F401-I445 HydrophobicContact CD1-CG1 4.36Å; F401-I445 HydrophobicContact CD2-CG1 4.29Å; F401-I445 HydrophobicContact CD2-CG2 4.14Å; F401-I445 HydrophobicContact CG-CD1 4.16Å; F401-I445 HydrophobicContact CG-CG1 3.91Å; F401-I445 HydrophobicContact CG-CG2 4.38Å |
| 402 | I | 93 | Very high | 94.3 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 149.1 | 177.9 | -65.5 | -178.9 | 0 | 0 | 0 | 110 | L396 N399 E400 I432 F434 L447 | L396-I402 HydrophobicContact CB-CD1 3.93Å; L396-I402 HydrophobicContact CD2-CD1 3.68Å; L396-I402 HydrophobicContact CG-CD1 4.39Å; L396-I402 VanDerWaalsContact O-CB 3.27Å; L396-I402 WeakPolarHBondContact O-CB 3.29Å; L396-I402 WeakPolarHBondContact O-CD1 3.27Å; L396-I402 WeakPolarHBondContact O-CG2 3.3Å; N399-I402 HydrophobicContact CB-CB 4.42Å; N399-I402 HydrophobicContact CB-CD1 4.19Å; N399-I402 HydrophobicContact CB-CG1 4.28Å; N399-I402 PolarHBondContact O-N 3.19Å; E400-I402 VanDerWaalsContact C-N 3.33Å; I402-I432 HydrophobicContact CD1-CG2 4.25Å; I402-I432 HydrophobicContact CG1-CG2 4.28Å; I402-I432 HydrophobicContact CG2-CG2 4.49Å; I402-F434 HydrophobicContact CD1-CE1 4.31Å; I402-F434 HydrophobicContact CG1-CD1 3.87Å; I402-F434 HydrophobicContact CG1-CE1 3.9Å; I402-L447 HydrophobicContact CD1-CD2 3.96Å |
| 403 | T | 94.7 | Very high | 94 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | -26.8 | 174.7 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | I433 R435 | T403-I433 PolarHBondContact N-O 3.1Å; T403-R435 WeakPolarHBondContact OG1-CA 3.5Å; T403-R435 WeakPolarHBondContact OG1-CB 3.27Å; T403-R435 PolarHBondContact OG1-N 2.89Å |
| 404 | L | 96.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 133.9 | 175.6 | -164.2 | 79.6 | 0 | 0 | 0 | 111.1 | T326 V327 Y362 H406 I432 I433 | T326-L404 HydrophobicContact CG2-CD1 3.91Å; V327-L404 HydrophobicContact CG2-CD1 4.35Å; V327-L404 HydrophobicContact CG2-CD2 4.07Å; Y362-L404 HydrophobicContact CE1-CD2 4Å; L404-H406 HydrophobicContact CD2-CB 4.13Å; L404-I432 WeakPolarHBondContact O-CA 3.33Å; L404-I433 HydrophobicContact CB-CB 3.9Å; L404-I433 HydrophobicContact CB-CD1 4.04Å; L404-I433 HydrophobicContact CB-CG1 4.01Å; L404-I433 HydrophobicContact CD2-CD1 3.86Å; L404-I433 HydrophobicContact CD2-CG1 4.33Å; L404-I433 PolarHBondContact N-O 3.42Å; L404-I433 PolarHBondContact O-N 3.16Å |
| 405 | A | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 103.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S323 V393 L396 I432 | S323-A405 VanDerWaalsContact CB-O 3.26Å; S323-A405 WeakPolarHBondContact CB-O 3.5Å; S323-A405 PolarHBondContact OG-N 3.27Å; V393-A405 HydrophobicContact CG1-CB 4.29Å; L396-A405 HydrophobicContact CB-CB 3.8Å; L396-A405 HydrophobicContact CD1-CB 4.07Å; A405-I432 HydrophobicContact CB-CD1 3.99Å |
| 406 | H | 97.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 100.7 | -176.9 | 179.4 | -158.8 | 0 | 0 | 0 | 111.3 | F234 V327 F358 Y362 L404 L430 G431 | F234-H406 AromaticContact CZ-CD2 3.74Å; F234-H406 AromaticContact CZ-NE2 3.74Å; V327-H406 HydrophobicContact CG2-CB 4.13Å; F358-H406 AromaticContact CD2-CE1 3.7Å; F358-H406 AromaticContact CD2-ND1 3.84Å; F358-H406 AromaticContact CE2-CE1 3.67Å; F358-H406 AromaticContact CE2-CG 3.89Å; F358-H406 AromaticContact CE2-ND1 3.51Å; F358-H406 WeakPolarHBondContact CE2-O 3.46Å; F358-H406 WeakPolarHBondContact CZ-O 3.39Å; Y362-H406 HydrophobicContact CE1-CB 4.42Å; Y362-H406 HydrophobicContact CE2-CB 4.34Å; Y362-H406 AromaticContact CE2-ND1 3.55Å; Y362-H406 AromaticContact CZ-ND1 3.45Å; Y362-H406 PolarHBondContact OH-ND1 3.17Å; L404-H406 HydrophobicContact CD2-CB 4.13Å; H406-L430 CarbonylContact O-C 3.52Å; H406-L430 WeakPolarHBondContact O-CA 3.45Å; H406-G431 PolarHBondContact N-O 2.77Å; H406-G431 PolarHBondContact O-N 2.85Å |
| 407 | V | 97.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 132.1 | 170.2 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | L232 F234 I389 V393 L430 | L232-V407 HydrophobicContact CB-CG1 4.17Å; L232-V407 HydrophobicContact CD1-CG2 4.38Å; L232-V407 HydrophobicContact CD2-CG2 4.47Å; F234-V407 HydrophobicContact CE2-CG1 4Å; I389-V407 HydrophobicContact CG2-CB 4.41Å; I389-V407 HydrophobicContact CG2-CG2 3.8Å; V393-V407 HydrophobicContact CG2-CB 4.25Å; V393-V407 HydrophobicContact CG2-CG1 4.23Å; V407-L430 HydrophobicContact CB-CG 4.06Å; V407-L430 HydrophobicContact CG2-CD1 4.29Å; V407-L430 HydrophobicContact CG2-CG 4.32Å |
| 408 | N | 95.8 | Very high | 86.6 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 10% | 0.096 | 33% | 0.329 | C | S | . | . | trans | -78.2 | 124.2 | 164.2 | -176.3 | -3.6 | 0 | 0 | 0 | 109.2 | F358 Q410 F429 | F358-N408 HydrophobicContact CD1-CB 4.26Å; F358-N408 HydrophobicContact CD2-CB 4.16Å; F358-N408 HydrophobicContact CE1-CB 3.9Å; F358-N408 HydrophobicContact CE2-CB 3.78Å; F358-N408 HydrophobicContact CG-CB 4.4Å; F358-N408 HydrophobicContact CZ-CB 3.66Å; N408-Q410 PolarHBondContact O-N 3.42Å; N408-Q410 PolarHBondContact OD1-N 2.83Å; N408-F429 PolarHBondContact N-O 3.33Å | ||
| 409 | P | 92.6 | Very high | 84.7 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -65 | -18.7 | 176.4 | -24.8 | 36.3 | 0 | 0 | 0 | 115.4 | G226 L232 F234 | G226-P409 WeakPolarHBondContact O-CD 3.38Å; G226-P409 WeakPolarHBondContact O-CG 3.43Å; L232-P409 HydrophobicContact CD1-CB 3.97Å; L232-P409 HydrophobicContact CD1-CG 4.47Å; F234-P409 HydrophobicContact CD2-CG 4.02Å; F234-P409 HydrophobicContact CE2-CG 3.84Å |
| 410 | Q | 92.1 | Very high | 82.8 | Confident | 101 Ų | 101 | 70 Ų | 70 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | trans | -81 | 125 | 174.6 | -174.6 | 169.2 | 28.9 | 0 | 0 | 110.8 | N408 F412 | N408-Q410 PolarHBondContact O-N 3.42Å; N408-Q410 PolarHBondContact OD1-N 2.83Å; Q410-F412 HydrophobicContact CB-CE2 4.07Å; Q410-F412 HydrophobicContact CB-CZ 3.99Å; Q410-F412 HydrophobicContact CG-CE1 4.06Å; Q410-F412 HydrophobicContact CG-CE2 3.98Å; Q410-F412 HydrophobicContact CG-CZ 3.67Å; Q410-F412 WeakPolarHBondContact O-CD2 3.32Å; Q410-F412 WeakPolarHBondContact O-CE2 2.96Å | ||
| 411 | S | 93.1 | Very high | 81 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | trans | -85.2 | 155.6 | 164.5 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | M427 | S411-M427 CarbonylContact C-O 3.36Å; S411-M427 WeakPolarHBondContact CA-O 3.43Å | ||
| 412 | F | 92.7 | Very high | 79.4 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 6% | 0.057 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.9 | -177.4 | -61 | -90.7 | 0 | 0 | 0 | 110.5 | F359 Q410 S426 M427 F429 L488 I492 | F359-F412 HydrophobicContact CE2-CE2 4.5Å; F359-F412 HydrophobicContact CE2-CZ 4.04Å; F359-F412 AromaticContact CZ-CE2 3.78Å; F359-F412 HydrophobicContact CZ-CE2 3.78Å; F359-F412 AromaticContact CZ-CZ 3.77Å; F359-F412 HydrophobicContact CZ-CZ 3.77Å; Q410-F412 HydrophobicContact CB-CE2 4.07Å; Q410-F412 HydrophobicContact CB-CZ 3.99Å; Q410-F412 HydrophobicContact CG-CE1 4.06Å; Q410-F412 HydrophobicContact CG-CE2 3.98Å; Q410-F412 HydrophobicContact CG-CZ 3.67Å; Q410-F412 WeakPolarHBondContact O-CD2 3.32Å; Q410-F412 WeakPolarHBondContact O-CE2 2.96Å; F412-S426 CarbonylContact O-C 3.55Å; F412-S426 WeakPolarHBondContact O-CA 3.08Å; F412-M427 PolarHBondContact N-O 2.98Å; F412-M427 PolarHBondContact O-N 3.1Å; F412-F429 HydrophobicContact CB-CE2 4.28Å; F412-F429 AromaticContact CD2-CD2 3.71Å; F412-F429 HydrophobicContact CD2-CD2 3.71Å; F412-F429 AromaticContact CD2-CE2 3.68Å; F412-F429 HydrophobicContact CD2-CE2 3.68Å; F412-F429 HydrophobicContact CE2-CD2 4.11Å; F412-F429 HydrophobicContact CE2-CE2 4.42Å; F412-F429 HydrophobicContact CG-CE2 4.19Å; F412-L488 HydrophobicContact CB-CD2 4Å; F412-L488 HydrophobicContact CD1-CD2 3.77Å; F412-L488 HydrophobicContact CD2-CD2 4.32Å; F412-L488 HydrophobicContact CE1-CD2 4.38Å; F412-L488 HydrophobicContact CG-CD2 3.74Å; F412-I492 HydrophobicContact CD1-CD1 3.96Å; F412-I492 HydrophobicContact CE1-CD1 3.95Å; F412-I492 HydrophobicContact CE1-CG2 4.18Å |
| 413 | P | 90.4 | Very high | 78.5 | Confident | 107 Ų | 107 | 72.3 Ų | 72.3 | 70% | 0.695 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 145.7 | 176.7 | 29.2 | -35.1 | 0 | 0 | 0 | 111.3 | M427 | P413-M427 WeakPolarHBondContact O-CE 3.14Å |
| 414 | G | 81.5 | Confident | 78.2 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 13% | 0.134 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 144.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | K416 V425 | G414-K416 PolarHBondContact O-N 3.04Å; G414-V425 PolarHBondContact N-O 2.81Å |
| 415 | N | 71 | Confident | 78 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 117.9 | -175.9 | -167.5 | 3.9 | 0 | 0 | 0 | 111.4 | E417 H418 H486 | N415-E417 VanDerWaalsContact C-N 3.3Å; N415-E417 PolarHBondContact O-N 3.34Å; N415-H418 PolarHBondContact O-N 2.94Å; N415-H486 PolarHBondContact ND2-O 3.11Å |
| 416 | K | 60.7 | Low | 77.8 | Confident | 188 Ų | 188 | 73.8 Ų | 73.8 | 82% | 0.817 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -62.5 | -31.8 | -167.6 | -68.3 | -173 | 176.7 | -175.7 | 0 | 113.8 | G414 H418 N419 | G414-K416 PolarHBondContact O-N 3.04Å; K416-H418 VanDerWaalsContact C-N 3.26Å; K416-H418 PolarHBondContact O-N 3.27Å; K416-N419 PolarHBondContact O-N 3.32Å |
| 417 | E | 54.4 | Low | 77.7 | Confident | 170 Ų | 170 | 73.9 Ų | 73.9 | 79% | 0.794 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -66.6 | -23.9 | -174.4 | -60.5 | -177.2 | 152 | 0 | 0 | 114 | N415 | N415-E417 VanDerWaalsContact C-N 3.3Å; N415-E417 PolarHBondContact O-N 3.34Å |
| 418 | H | 51.1 | Low | 77.7 | Confident | 133 Ų | 133 | 73.9 Ų | 73.9 | 62% | 0.616 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -93.8 | -16.5 | 177.4 | -74.4 | -66.2 | 0 | 0 | 0 | 113.8 | N415 K416 K420 | N415-H418 PolarHBondContact O-N 2.94Å; K416-H418 VanDerWaalsContact C-N 3.26Å; K416-H418 PolarHBondContact O-N 3.27Å; H418-K420 PolarHBondContact O-N 3.04Å |
| 419 | N | 54.8 | Low | 77.8 | Confident | 61 Ų | 61 | 73 Ų | 73 | 33% | 0.326 | 37% | 0.374 | S | S | . | . | trans | -90.5 | 85 | -174.6 | -71.6 | -16.4 | 0 | 0 | 0 | 111.5 | K416 A421 V425 | K416-N419 PolarHBondContact O-N 3.32Å; N419-A421 PolarHBondContact O-N 2.98Å; N419-V425 WeakPolarHBondContact ND2-CG2 3.5Å | ||
| 420 | K | 50.7 | Low | 78 | Confident | 214 Ų | 214 | 71.7 Ų | 71.7 | 93% | 0.93 | 37% | 0.365 | S | S | * | . | trans | -73.7 | 29.2 | 178.8 | -67.7 | -169.4 | 172.9 | -174.2 | 0 | 115.4 | H418 | H418-K420 PolarHBondContact O-N 3.04Š| ||
| 421 | A | 53.1 | Low | 78.3 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -154.9 | 165.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N419 N423 | N419-A421 PolarHBondContact O-N 2.98Å; A421-N423 PolarHBondContact O-N 2.88Å |
| 422 | N | 57.4 | Low | 78.4 | Confident | 148 Ų | 148 | 65 Ų | 65 | 79% | 0.791 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -73 | 49.2 | 178.2 | -65.3 | -8.2 | 0 | 0 | 0 | 112.4 | ||
| 423 | N | 73.6 | Confident | 78.5 | Confident | 69 Ų | 69 | 68 Ų | 68 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | trans | -94.2 | 122 | -177.6 | -63.6 | -3.8 | 0 | 0 | 0 | 109.3 | A421 V425 | A421-N423 PolarHBondContact O-N 2.88Å; N423-V425 HydrophobicContact CB-CG2 4.22Å | ||
| 424 | Y | 88.9 | Confident | 78.5 | Confident | 91 Ų | 91 | 64 Ų | 64 | 36% | 0.357 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 131.1 | 169 | -65.2 | -104.1 | 0 | 0 | 0 | 107.7 | S371 A372 T374 E375 H378 | S371-Y424 CarbonylContact C-O 3.6Å; S371-Y424 WeakPolarHBondContact CA-O 3.5Å; S371-Y424 WeakPolarHBondContact CB-O 3.28Å; A372-Y424 PolarHBondContact N-O 3.16Å; A372-Y424 PolarHBondContact O-N 2.87Å; T374-Y424 VanDerWaalsContact C-CD2 3.47Å; E375-Y424 HydrophobicContact CB-CD1 3.93Å; E375-Y424 HydrophobicContact CB-CE1 3.43Å; E375-Y424 VanDerWaalsContact CB-CE1 3.43Å; E375-Y424 HydrophobicContact CB-CE2 4.37Å; E375-Y424 HydrophobicContact CG-CD1 4Å; E375-Y424 HydrophobicContact CG-CE1 3.65Å; E375-Y424 WeakPolarHBondContact OE2-CE1 3.5Å; H378-Y424 HydrophobicContact CB-CG 4.3Å; H378-Y424 PolarHBondContact CD2-O 3.09Å; H378-Y424 VanDerWaalsContact CD2-O 3.31Å; H378-Y424 VanDerWaalsContact CG-CB 3.44Å |
| 425 | V | 91.4 | Very high | 78.8 | Confident | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 130.3 | -169.3 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | T369 A370 G414 N419 N423 M427 | T369-V425 HydrophobicContact CG2-CG1 3.51Å; A370-V425 WeakPolarHBondContact O-CA 3.14Å; G414-V425 PolarHBondContact N-O 2.81Å; N419-V425 WeakPolarHBondContact ND2-CG2 3.5Å; N423-V425 HydrophobicContact CB-CG2 4.22Å; V425-M427 HydrophobicContact CG1-CG 4.44Å |
| 426 | S | 94.5 | Very high | 79 | Confident | 14 Ų | 14 | 77.9 Ų | 77.9 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.8 | 170 | -64.8 | 0 | 0 | 0 | 0 | 111 | T369 A370 H378 F412 | T369-S426 WeakPolarHBondContact CA-O 3.39Å; A370-S426 PolarHBondContact N-O 2.9Å; A370-S426 PolarHBondContact O-N 2.9Å; H378-S426 PolarHBondContact CE1-OG 3.22Å; H378-S426 PolarHBondContact NE2-N 3.23Å; H378-S426 PolarHBondContact NE2-OG 2.88Å; H378-S426 VanDerWaalsContact NE2-OG 3.09Å; F412-S426 CarbonylContact O-C 3.55Å; F412-S426 WeakPolarHBondContact O-CA 3.08Å |
| 427 | M | 95.6 | Very high | 79.2 | Confident | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.9 | -179 | -59.1 | -177 | -57.4 | 0 | 0 | 111.3 | V367 L368 T369 S411 F412 P413 V425 F429 Y487 | V367-M427 HydrophobicContact CG1-CB 4.19Å; V367-M427 HydrophobicContact CG1-CG 4.45Å; V367-M427 HydrophobicContact CG1-SD 4.3Å; L368-M427 CarbonylContact O-C 3.55Å; L368-M427 VanDerWaalsContact O-CA 3.24Å; L368-M427 WeakPolarHBondContact O-CA 3.44Å; T369-M427 HydrophobicContact CG2-CG 4.22Å; S411-M427 CarbonylContact C-O 3.36Å; S411-M427 WeakPolarHBondContact CA-O 3.43Å; F412-M427 PolarHBondContact N-O 2.98Å; F412-M427 PolarHBondContact O-N 3.1Å; P413-M427 WeakPolarHBondContact O-CE 3.14Å; V425-M427 HydrophobicContact CG1-CG 4.44Å; M427-F429 HydrophobicContact CB-CE2 4.09Å; M427-F429 HydrophobicContact CB-CZ 4.47Å; M427-F429 HydrophobicContact CE-CZ 4.35Å; M427-Y487 WeakPolarHBondContact CE-O 3.28Å; M427-Y487 HydrophobicContact SD-CD1 3.93Å |
| 428 | W | 96.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 153.6 | 168.4 | -60.9 | -103 | 0 | 0 | 0 | 109.9 | V367 L368 A370 V382 V385 E386 I389 | V367-W428 WeakPolarHBondContact CA-O 3.26Å; L368-W428 PolarHBondContact N-O 2.75Å; L368-W428 PolarHBondContact O-N 3.11Å; A370-W428 HydrophobicContact CB-CH2 4.25Å; A370-W428 HydrophobicContact CB-CZ3 3.75Å; V382-W428 HydrophobicContact CB-CH2 4.28Å; V382-W428 HydrophobicContact CG1-CH2 3.89Å; V382-W428 HydrophobicContact CG1-CZ2 3.88Å; V382-W428 HydrophobicContact CG2-CH2 4.15Å; V385-W428 HydrophobicContact CB-CH2 4.37Å; V385-W428 HydrophobicContact CG1-CH2 4.09Å; V385-W428 HydrophobicContact CG1-CZ3 3.92Å; E386-W428 HydrophobicContact CB-CZ2 3.93Å; E386-W428 HydrophobicContact CG-CZ2 4.31Å; E386-W428 PolarHBondContact OE1-NE1 3.24Å; I389-W428 HydrophobicContact CD1-CB 4.07Å; I389-W428 HydrophobicContact CD1-CD2 3.56Å; I389-W428 HydrophobicContact CD1-CE3 4.16Å; I389-W428 HydrophobicContact CD1-CG 3.52Å; I389-W428 HydrophobicContact CD1-CZ2 4.43Å |
| 429 | F | 97 | Very high | 79.4 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.7 | -177.7 | -65.2 | -99.8 | 0 | 0 | 0 | 110.4 | F358 F359 V367 N408 F412 M427 L484 L488 | F358-F429 HydrophobicContact CE1-CB 3.98Å; F358-F429 WeakPolarHBondContact CZ-O 3.44Å; F359-F429 HydrophobicContact CE1-CB 3.9Å; F359-F429 HydrophobicContact CE1-CD1 4.02Å; F359-F429 HydrophobicContact CE1-CD2 4.03Å; F359-F429 AromaticContact CE1-CG 3.71Å; F359-F429 HydrophobicContact CE1-CG 3.71Å; F359-F429 HydrophobicContact CZ-CD2 4.34Å; F359-F429 HydrophobicContact CZ-CG 4.44Å; V367-F429 HydrophobicContact CB-CE1 4.33Å; V367-F429 HydrophobicContact CG1-CD1 4.31Å; V367-F429 HydrophobicContact CG1-CE1 3.87Å; V367-F429 HydrophobicContact CG1-CZ 4Å; V367-F429 HydrophobicContact CG2-CD1 3.86Å; V367-F429 HydrophobicContact CG2-CE1 3.62Å; N408-F429 PolarHBondContact N-O 3.33Å; F412-F429 HydrophobicContact CB-CE2 4.28Å; F412-F429 AromaticContact CD2-CD2 3.71Å; F412-F429 HydrophobicContact CD2-CD2 3.71Å; F412-F429 AromaticContact CD2-CE2 3.68Å; F412-F429 HydrophobicContact CD2-CE2 3.68Å; F412-F429 HydrophobicContact CE2-CD2 4.11Å; F412-F429 HydrophobicContact CE2-CE2 4.42Å; F412-F429 HydrophobicContact CG-CE2 4.19Å; M427-F429 HydrophobicContact CB-CE2 4.09Å; M427-F429 HydrophobicContact CB-CZ 4.47Å; M427-F429 HydrophobicContact CE-CZ 4.35Å; F429-L484 HydrophobicContact CD1-CD2 4.05Å; F429-L484 HydrophobicContact CE1-CD2 3.98Å; F429-L488 HydrophobicContact CD1-CD1 4.4Å; F429-L488 HydrophobicContact CD2-CD1 4.47Å; F429-L488 HydrophobicContact CE1-CD1 3.88Å; F429-L488 HydrophobicContact CE1-CG 4.2Å; F429-L488 HydrophobicContact CE2-CD1 3.99Å; F429-L488 HydrophobicContact CE2-CD2 3.85Å; F429-L488 HydrophobicContact CE2-CG 4.09Å; F429-L488 HydrophobicContact CZ-CD1 3.67Å; F429-L488 HydrophobicContact CZ-CD2 3.85Å; F429-L488 HydrophobicContact CZ-CG 3.63Å |
| 430 | L | 97.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 110.4 | 174.9 | -71.4 | 74 | 0 | 0 | 0 | 108.6 | Y365 I366 I389 L392 V393 L396 H406 V407 I432 | Y365-L430 CarbonylContact C-O 3.49Å; Y365-L430 WeakPolarHBondContact CA-O 3.48Å; I366-L430 HydrophobicContact CB-CB 4.37Å; I366-L430 PolarHBondContact N-O 2.86Å; I366-L430 PolarHBondContact O-N 3.06Å; I389-L430 HydrophobicContact CG2-CD1 4.28Å; L392-L430 HydrophobicContact CD2-CD2 3.86Å; L392-L430 HydrophobicContact CG-CD2 4.02Å; V393-L430 HydrophobicContact CG2-CD2 4.05Å; L396-L430 HydrophobicContact CD1-CD2 3.93Å; H406-L430 CarbonylContact O-C 3.52Å; H406-L430 WeakPolarHBondContact O-CA 3.45Å; V407-L430 HydrophobicContact CB-CG 4.06Å; V407-L430 HydrophobicContact CG2-CD1 4.29Å; V407-L430 HydrophobicContact CG2-CG 4.32Å; L430-I432 HydrophobicContact CB-CD1 4.31Å |
| 431 | G | 97.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | H406 | H406-G431 PolarHBondContact N-O 2.77Å; H406-G431 PolarHBondContact O-N 2.85Å |
| 432 | I | 96.2 | Very high | 80.1 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.9 | -173 | -51.2 | -57 | 0 | 0 | 0 | 111 | H364 I366 L396 I402 L404 A405 L430 F434 | H364-I432 HydrophobicContact CB-CB 4.37Å; H364-I432 PolarHBondContact O-N 3.17Å; I366-I432 HydrophobicContact CD1-CD1 4Å; I366-I432 HydrophobicContact CD1-CG1 4.1Å; I366-I432 HydrophobicContact CG1-CD1 4.4Å; I366-I432 HydrophobicContact CG1-CG1 4.1Å; L396-I432 HydrophobicContact CD1-CD1 4.15Å; I402-I432 HydrophobicContact CD1-CG2 4.25Å; I402-I432 HydrophobicContact CG1-CG2 4.28Å; I402-I432 HydrophobicContact CG2-CG2 4.49Å; L404-I432 WeakPolarHBondContact O-CA 3.33Å; A405-I432 HydrophobicContact CB-CD1 3.99Å; L430-I432 HydrophobicContact CB-CD1 4.31Å; I432-F434 HydrophobicContact CB-CE2 4.49Å; I432-F434 HydrophobicContact CG2-CD1 4.11Å; I432-F434 HydrophobicContact CG2-CD2 4.19Å; I432-F434 HydrophobicContact CG2-CE1 3.84Å; I432-F434 HydrophobicContact CG2-CE2 3.93Å; I432-F434 HydrophobicContact CG2-CG 4.28Å; I432-F434 HydrophobicContact CG2-CZ 3.75Å |
| 433 | I | 94.8 | Very high | 80.8 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.8 | 162.2 | -55 | -178.6 | 0 | 0 | 0 | 107.8 | Y362 T403 L404 | Y362-I433 HydrophobicContact CD1-CD1 4.3Å; Y362-I433 HydrophobicContact CD1-CG1 3.7Å; Y362-I433 HydrophobicContact CE1-CD1 3.92Å; Y362-I433 HydrophobicContact CE1-CG1 3.75Å; T403-I433 PolarHBondContact N-O 3.1Å; L404-I433 HydrophobicContact CB-CB 3.9Å; L404-I433 HydrophobicContact CB-CD1 4.04Å; L404-I433 HydrophobicContact CB-CG1 4.01Å; L404-I433 HydrophobicContact CD2-CD1 3.86Å; L404-I433 HydrophobicContact CD2-CG1 4.33Å; L404-I433 PolarHBondContact N-O 3.42Å; L404-I433 PolarHBondContact O-N 3.16Å |
| 434 | F | 90.8 | Very high | 81.1 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 148.2 | 170.5 | -64.3 | -73.2 | 0 | 0 | 0 | 111.2 | H364 F401 I402 I432 I445 L447 L727 L729 | H364-F434 HydrophobicContact CB-CD2 4.46Å; H364-F434 HydrophobicContact CB-CE2 3.82Å; H364-F434 AromaticContact CD2-CD2 3.87Å; H364-F434 AromaticContact CD2-CE2 3.9Å; H364-F434 AromaticContact CG-CE2 3.66Å; F401-F434 CarbonylContact O-C 3.51Å; F401-F434 VanDerWaalsContact O-CA 3.26Å; F401-F434 WeakPolarHBondContact O-CA 3.41Å; F401-F434 WeakPolarHBondContact O-CD1 3.31Å; I402-F434 HydrophobicContact CD1-CE1 4.31Å; I402-F434 HydrophobicContact CG1-CD1 3.87Å; I402-F434 HydrophobicContact CG1-CE1 3.9Å; I432-F434 HydrophobicContact CB-CE2 4.49Å; I432-F434 HydrophobicContact CG2-CD1 4.11Å; I432-F434 HydrophobicContact CG2-CD2 4.19Å; I432-F434 HydrophobicContact CG2-CE1 3.84Å; I432-F434 HydrophobicContact CG2-CE2 3.93Å; I432-F434 HydrophobicContact CG2-CG 4.28Å; I432-F434 HydrophobicContact CG2-CZ 3.75Å; F434-I445 HydrophobicContact CD1-CD1 3.44Å; F434-I445 VanDerWaalsContact CD1-CD1 3.44Å; F434-I445 HydrophobicContact CE1-CD1 3.68Å; F434-I445 HydrophobicContact CE1-CG2 4.46Å; F434-I445 HydrophobicContact CG-CD1 4.06Å; F434-I445 HydrophobicContact CZ-CD1 4.46Å; F434-L447 HydrophobicContact CE1-CD1 4.37Å; F434-L447 HydrophobicContact CZ-CD1 4.39Å; F434-L727 HydrophobicContact CZ-CD1 3.8Å; F434-L729 HydrophobicContact CB-CD1 3.61Å; F434-L729 HydrophobicContact CD1-CD1 4.18Å; F434-L729 HydrophobicContact CD2-CD1 3.62Å; F434-L729 HydrophobicContact CD2-CD2 4.04Å; F434-L729 HydrophobicContact CD2-CG 4.44Å; F434-L729 HydrophobicContact CE2-CD1 4.3Å; F434-L729 HydrophobicContact CE2-CD2 4.1Å; F434-L729 HydrophobicContact CG-CD1 3.55Å |
| 435 | R | 86.6 | Confident | 80.8 | Confident | 138 Ų | 138 | 61.1 Ų | 61.1 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | trans | -64.1 | 134.6 | 174.5 | -167.5 | 176 | -62.7 | -178.1 | 8 | 109 | E400 F401 T403 V437 | E400-R435 PolarHBondContact O-NE 3.37Å; E400-R435 PolarHBondContact O-NH1 2.92Å; E400-R435 PolarHBondContact O-NH2 2.86Å; E400-R435 VanDerWaalsContact O-NH2 3.13Å; F401-R435 PolarHBondContact O-N 3.48Å; T403-R435 WeakPolarHBondContact OG1-CA 3.5Å; T403-R435 WeakPolarHBondContact OG1-CB 3.27Å; T403-R435 PolarHBondContact OG1-N 2.89Å; R435-V437 PolarHBondContact O-N 2.82Å | ||
| 436 | R | 74.9 | Confident | 80.6 | Confident | 228 Ų | 228 | 63.1 Ų | 63.1 | 86% | 0.86 | 31% | 0.309 | S | S | * | . | trans | -73.2 | 109.4 | 171.5 | -68.3 | -173.6 | -178.2 | -173.6 | 2.5 | 108.4 | E438 | R436-E438 PolarHBondContact O-N 2.82Š| ||
| 437 | V | 66 | Low | 80.4 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | trans | -86.9 | 99.2 | 169 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | F401 R435 A440 V443 | F401-V437 HydrophobicContact CD1-CG2 4.46Å; R435-V437 PolarHBondContact O-N 2.82Å; V437-A440 HydrophobicContact CB-CB 4.15Å; V437-A440 HydrophobicContact CG1-CB 3.78Å; V437-V443 HydrophobicContact CB-CG2 4.01Å; V437-V443 HydrophobicContact CG1-CG2 4.46Å; V437-V443 HydrophobicContact CG2-CG2 4.11Å | ||
| 438 | E | 55 | Low | 80.1 | Confident | 149 Ų | 149 | 63.5 Ų | 63.5 | 70% | 0.696 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 147.4 | 170.5 | -60.8 | -174.5 | 168 | 0 | 0 | 108.9 | R436 A440 | R436-E438 PolarHBondContact O-N 2.82Å; E438-A440 VanDerWaalsContact C-N 3.31Å; E438-A440 PolarHBondContact O-N 3.36Å |
| 439 | H | 53.8 | Low | 79.8 | Confident | 175 Ų | 175 | 72.1 Ų | 72.1 | 81% | 0.81 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -11.3 | -174 | -47.2 | -76.7 | 0 | 0 | 0 | 118.6 | ||
| 440 | A | 56.7 | Low | 79.6 | Confident | 25 Ų | 25 | 73 Ų | 73 | 21% | 0.207 | 35% | 0.349 | C | S | . | . | trans | -81.2 | 135.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | V437 E438 V443 R731 | V437-A440 HydrophobicContact CB-CB 4.15Å; V437-A440 HydrophobicContact CG1-CB 3.78Å; E438-A440 VanDerWaalsContact C-N 3.31Å; E438-A440 PolarHBondContact O-N 3.36Å; A440-V443 HydrophobicContact CB-CG2 3.5Å; A440-R731 VanDerWaalsContact O-CZ 3.22Å; A440-R731 PolarHBondContact O-NE 3.25Å; A440-R731 PolarHBondContact O-NH2 2.7Å | ||
| 441 | E | 54.3 | Low | 79.3 | Confident | 171 Ų | 171 | 73.1 Ų | 73.1 | 80% | 0.799 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -85.5 | -34.3 | 173.4 | -63.2 | -166.5 | 141.2 | 0 | 0 | 112.4 | ||
| 442 | G | 63 | Low | 79.1 | Confident | 39 Ų | 39 | 74.7 Ų | 74.7 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 134.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L729 | G442-L729 VanDerWaalsContact CA-O 3.3Å; G442-L729 WeakPolarHBondContact CA-O 3.41Å |
| 443 | V | 72.6 | Confident | 79 | Confident | 26 Ų | 26 | 76 Ų | 76 | 16% | 0.158 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.9 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | F401 V437 A440 I445 T728 L729 | F401-V443 HydrophobicContact CD1-CG1 3.89Å; F401-V443 HydrophobicContact CE1-CG1 3.83Å; V437-V443 HydrophobicContact CB-CG2 4.01Å; V437-V443 HydrophobicContact CG1-CG2 4.46Å; V437-V443 HydrophobicContact CG2-CG2 4.11Å; A440-V443 HydrophobicContact CB-CG2 3.5Å; V443-I445 HydrophobicContact CG1-CG1 3.84Å; V443-T728 WeakPolarHBondContact O-CA 3.4Å; V443-L729 PolarHBondContact N-O 3.11Å; V443-L729 PolarHBondContact O-N 2.78Å |
| 444 | N | 78.6 | Confident | 79 | Confident | 121 Ų | 121 | 72.4 Ų | 72.4 | 65% | 0.647 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 107.2 | 169.8 | -75.8 | -42.3 | 0 | 0 | 0 | 109.4 | L727 T728 | N444-L727 WeakPolarHBondContact CA-O 3.39Å; N444-T728 WeakPolarHBondContact OD1-CB 3.45Å; N444-T728 WeakPolarHBondContact OD1-CG2 2.95Å; N444-T728 PolarHBondContact OD1-OG1 3.29Å |
| 445 | I | 84.2 | Confident | 79.2 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.5 | 176.1 | -54.5 | 174 | 0 | 0 | 0 | 108.3 | F401 F434 V443 L447 L727 L729 | F401-I445 HydrophobicContact CB-CD1 3.57Å; F401-I445 HydrophobicContact CB-CG1 3.86Å; F401-I445 HydrophobicContact CB-CG2 4.13Å; F401-I445 HydrophobicContact CD1-CG1 4.36Å; F401-I445 HydrophobicContact CD2-CG1 4.29Å; F401-I445 HydrophobicContact CD2-CG2 4.14Å; F401-I445 HydrophobicContact CG-CD1 4.16Å; F401-I445 HydrophobicContact CG-CG1 3.91Å; F401-I445 HydrophobicContact CG-CG2 4.38Å; F434-I445 HydrophobicContact CD1-CD1 3.44Å; F434-I445 VanDerWaalsContact CD1-CD1 3.44Å; F434-I445 HydrophobicContact CE1-CD1 3.68Å; F434-I445 HydrophobicContact CE1-CG2 4.46Å; F434-I445 HydrophobicContact CG-CD1 4.06Å; F434-I445 HydrophobicContact CZ-CD1 4.46Å; V443-I445 HydrophobicContact CG1-CG1 3.84Å; I445-L447 HydrophobicContact CG2-CD2 3.6Å; I445-L447 HydrophobicContact CG2-CG 3.99Å; I445-L727 HydrophobicContact CB-CB 4.49Å; I445-L727 PolarHBondContact N-O 2.93Å; I445-L727 PolarHBondContact O-N 2.84Å; I445-L729 HydrophobicContact CD1-CD1 3.42Å; I445-L729 VanDerWaalsContact CD1-CD1 3.42Å; I445-L729 HydrophobicContact CD1-CG 3.91Å |
| 446 | D | 86.1 | Confident | 79.5 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 33% | 0.326 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.5 | 171.5 | -164.1 | -18.7 | 0 | 0 | 0 | 109.1 | T448 R726 | D446-T448 WeakPolarHBondContact OD1-CB 3.5Å; D446-T448 PolarHBondContact OD1-N 3.47Å; D446-T448 PolarHBondContact OD1-OG1 3.08Å; D446-R726 HydrophobicContact CB-CG 4.24Å; D446-R726 IonicContact OD2-CZ 3.63Å; D446-R726 VanDerWaalsContact OD2-CZ 3.28Å; D446-R726 IonicContact OD2-NE 3.78Å; D446-R726 PolarHBondContact OD2-NE 3.34Å; D446-R726 IonicContact OD2-NH2 3.79Å; D446-R726 PolarHBondContact OD2-NH2 2.88Å |
| 447 | L | 90.7 | Very high | 80.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -96.5 | 5.8 | 176.8 | -58.5 | -177.9 | 0 | 0 | 0 | 112.2 | I366 L396 N399 I402 F434 I445 Y449 D450 I451 I725 L727 | I366-L447 HydrophobicContact CD1-CD1 4.22Å; L396-L447 HydrophobicContact CD2-CD1 4.42Å; N399-L447 WeakPolarHBondContact ND2-CD2 3.46Å; I402-L447 HydrophobicContact CD1-CD2 3.96Å; F434-L447 HydrophobicContact CE1-CD1 4.37Å; F434-L447 HydrophobicContact CZ-CD1 4.39Å; I445-L447 HydrophobicContact CG2-CD2 3.6Å; I445-L447 HydrophobicContact CG2-CG 3.99Å; L447-Y449 VanDerWaalsContact C-N 3.26Å; L447-Y449 PolarHBondContact O-N 3Å; L447-D450 PolarHBondContact O-N 2.94Å; L447-I451 HydrophobicContact CB-CG1 4.49Å; L447-I451 WeakPolarHBondContact O-CB 3.18Å; L447-I451 VanDerWaalsContact O-CG1 3.23Å; L447-I451 WeakPolarHBondContact O-CG1 3.23Å; L447-I451 PolarHBondContact O-N 2.73Å; L447-I725 HydrophobicContact CB-CB 4.2Å; L447-I725 HydrophobicContact CB-CG2 4.13Å; L447-I725 HydrophobicContact CD1-CG2 4.43Å; L447-I725 PolarHBondContact N-O 3.21Å; L447-L727 HydrophobicContact CD1-CD1 3.81Å; L447-L727 HydrophobicContact CG-CD1 4.35Å | ||
| 448 | T | 88.7 | Confident | 81.7 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.9 | -39.9 | -177.1 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | D446 Q452 S724 I725 | D446-T448 WeakPolarHBondContact OD1-CB 3.5Å; D446-T448 PolarHBondContact OD1-N 3.47Å; D446-T448 PolarHBondContact OD1-OG1 3.08Å; T448-Q452 WeakPolarHBondContact O-CB 3.46Å; T448-Q452 PolarHBondContact O-N 3.01Å; T448-S724 WeakPolarHBondContact OG1-CA 3.4Å; T448-S724 WeakPolarHBondContact OG1-CB 3.41Å; T448-I725 PolarHBondContact OG1-N 2.86Å |
| 449 | Y | 90.6 | Very high | 83.6 | Confident | 182 Ų | 182 | 50.3 Ų | 50.3 | 71% | 0.714 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.9 | -47.8 | -179.5 | -178.2 | -95.2 | 0 | 0 | 0 | 112.5 | L447 I451 Q452 S453 | L447-Y449 VanDerWaalsContact C-N 3.26Å; L447-Y449 PolarHBondContact O-N 3Å; Y449-I451 PolarHBondContact O-N 3.2Å; Y449-Q452 PolarHBondContact O-N 3.31Å; Y449-S453 WeakPolarHBondContact O-CB 3.4Å; Y449-S453 PolarHBondContact O-N 2.91Å |
| 450 | D | 92.7 | Very high | 85.5 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 10% | 0.096 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -39.7 | -179.5 | -61 | -51.2 | 0 | 0 | 0 | 111.9 | N395 L396 N399 L447 F454 | N395-D450 HydrophobicContact CB-CB 4.1Å; N395-D450 PolarHBondContact ND2-O 2.91Å; L396-D450 HydrophobicContact CD2-CB 4.27Å; N399-D450 PolarHBondContact ND2-OD2 2.83Å; L447-D450 PolarHBondContact O-N 2.94Å; D450-F454 PolarHBondContact O-N 3.18Å |
| 451 | I | 92.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77.3 | -42.5 | -178.2 | -65.9 | -79.5 | 0 | 0 | 0 | 111.7 | I366 L392 L447 Y449 F454 T455 A476 I725 | I366-I451 HydrophobicContact CD1-CD1 4.33Å; I366-I451 HydrophobicContact CG2-CD1 4.19Å; L392-I451 HydrophobicContact CD1-CD1 3.8Å; L392-I451 HydrophobicContact CD2-CD1 4.48Å; L447-I451 HydrophobicContact CB-CG1 4.49Å; L447-I451 WeakPolarHBondContact O-CB 3.18Å; L447-I451 VanDerWaalsContact O-CG1 3.23Å; L447-I451 WeakPolarHBondContact O-CG1 3.23Å; L447-I451 PolarHBondContact O-N 2.73Å; Y449-I451 PolarHBondContact O-N 3.2Å; I451-F454 PolarHBondContact O-N 2.94Å; I451-T455 WeakPolarHBondContact O-CB 3.3Å; I451-T455 PolarHBondContact O-N 3.31Å; I451-T455 PolarHBondContact O-OG1 2.75Å; I451-A476 HydrophobicContact CD1-CB 3.76Å; I451-A476 HydrophobicContact CG2-CB 3.85Å; I451-I725 HydrophobicContact CD1-CD1 4.19Å; I451-I725 HydrophobicContact CG1-CD1 4.01Å; I451-I725 HydrophobicContact CG2-CD1 4.41Å |
| 452 | Q | 92 | Very high | 88.9 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.4 | -171 | 69.8 | 64.1 | 0 | 0 | 110.5 | T448 Y449 F454 T455 D456 V720 | T448-Q452 WeakPolarHBondContact O-CB 3.46Å; T448-Q452 PolarHBondContact O-N 3.01Å; Y449-Q452 PolarHBondContact O-N 3.31Å; Q452-F454 VanDerWaalsContact C-N 3.29Å; Q452-F454 PolarHBondContact O-N 3.24Å; Q452-T455 PolarHBondContact O-N 2.88Å; Q452-T455 VanDerWaalsContact O-N 3.15Å; Q452-D456 PolarHBondContact NE2-OD1 3.08Å; Q452-D456 WeakPolarHBondContact O-CB 3.49Å; Q452-D456 PolarHBondContact O-N 3.11Å; Q452-V720 VanDerWaalsContact NE2-CG1 3.33Å |
| 453 | S | 93.8 | Very high | 90.3 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.5 | -41.9 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | N395 Y449 T457 | N395-S453 PolarHBondContact ND2-OG 2.77Å; Y449-S453 WeakPolarHBondContact O-CB 3.4Å; Y449-S453 PolarHBondContact O-N 2.91Å; S453-T457 VanDerWaalsContact O-CB 3.31Å; S453-T457 WeakPolarHBondContact O-CB 3.36Å; S453-T457 PolarHBondContact O-N 3.3Å; S453-T457 VanDerWaalsContact O-N 3.13Å; S453-T457 PolarHBondContact O-OG1 3.11Å |
| 454 | F | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.5 | -50.3 | 173.9 | 167.3 | -110 | 0 | 0 | 0 | 112.1 | L368 K388 V391 L392 D450 I451 Q452 D456 T457 V458 I474 | L368-F454 HydrophobicContact CD1-CE1 3.73Å; L368-F454 HydrophobicContact CD2-CE1 3.87Å; L368-F454 HydrophobicContact CD2-CZ 3.97Å; L368-F454 HydrophobicContact CG-CE1 4.48Å; K388-F454 HydrophobicContact CB-CE2 3.85Å; K388-F454 WeakPolarHBondContact O-CE2 3.34Å; V391-F454 HydrophobicContact CB-CD2 4.33Å; L392-F454 HydrophobicContact CB-CB 4.27Å; L392-F454 HydrophobicContact CB-CD1 3.99Å; L392-F454 HydrophobicContact CB-CD2 3.73Å; L392-F454 HydrophobicContact CB-CE1 4.26Å; L392-F454 HydrophobicContact CB-CE2 4.03Å; L392-F454 HydrophobicContact CB-CG 3.7Å; L392-F454 HydrophobicContact CB-CZ 4.29Å; L392-F454 HydrophobicContact CD1-CB 4Å; L392-F454 HydrophobicContact CD1-CD1 4.16Å; L392-F454 HydrophobicContact CD1-CG 4.12Å; L392-F454 HydrophobicContact CD2-CD1 4Å; L392-F454 HydrophobicContact CD2-CE1 4.08Å; L392-F454 HydrophobicContact CG-CD1 4.27Å; L392-F454 HydrophobicContact CG-CG 4.31Å; D450-F454 PolarHBondContact O-N 3.18Å; I451-F454 PolarHBondContact O-N 2.94Å; Q452-F454 VanDerWaalsContact C-N 3.29Å; Q452-F454 PolarHBondContact O-N 3.24Å; F454-D456 PolarHBondContact O-N 2.82Å; F454-T457 WeakPolarHBondContact O-CA 3.42Å; F454-T457 WeakPolarHBondContact O-CB 3.38Å; F454-T457 PolarHBondContact O-N 3.16Å; F454-T457 VanDerWaalsContact O-N 3.08Å; F454-V458 HydrophobicContact CD2-CG2 4.16Å; F454-V458 HydrophobicContact CE1-CG2 4.28Å; F454-V458 HydrophobicContact CE2-CG2 3.59Å; F454-V458 HydrophobicContact CZ-CG2 3.67Å; F454-V458 PolarHBondContact O-N 3.38Å; F454-I474 HydrophobicContact CE1-CD1 3.56Å; F454-I474 HydrophobicContact CZ-CD1 3.86Å |
| 455 | T | 94.3 | Very high | 91.5 | Very high | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.5 | -48.8 | 178.9 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | I451 Q452 T457 V458 Y459 I474 V720 | I451-T455 WeakPolarHBondContact O-CB 3.3Å; I451-T455 PolarHBondContact O-N 3.31Å; I451-T455 PolarHBondContact O-OG1 2.75Å; Q452-T455 PolarHBondContact O-N 2.88Å; Q452-T455 VanDerWaalsContact O-N 3.15Å; T455-T457 VanDerWaalsContact C-N 3.29Å; T455-T457 PolarHBondContact O-N 3.15Å; T455-V458 PolarHBondContact O-N 2.95Å; T455-Y459 HydrophobicContact CG2-CD2 3.73Å; T455-Y459 HydrophobicContact CG2-CE2 3.49Å; T455-Y459 VanDerWaalsContact CG2-CE2 3.49Å; T455-Y459 VanDerWaalsContact O-CD2 3.3Å; T455-Y459 WeakPolarHBondContact O-CD2 3.4Å; T455-Y459 PolarHBondContact O-N 3.26Å; T455-I474 HydrophobicContact CG2-CG2 4.1Å; T455-V720 HydrophobicContact CG2-CG1 3.76Å |
| 456 | D | 93.3 | Very high | 91.7 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 177.4 | -64.5 | -14.9 | 0 | 0 | 0 | 111.4 | Q452 F454 R460 | Q452-D456 PolarHBondContact NE2-OD1 3.08Å; Q452-D456 WeakPolarHBondContact O-CB 3.49Å; Q452-D456 PolarHBondContact O-N 3.11Å; F454-D456 PolarHBondContact O-N 2.82Å; D456-R460 WeakPolarHBondContact O-CB 3.48Å; D456-R460 PolarHBondContact O-N 2.81Å |
| 457 | T | 94 | Very high | 91.8 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 175.2 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | S453 F454 T455 Q461 | S453-T457 VanDerWaalsContact O-CB 3.31Å; S453-T457 WeakPolarHBondContact O-CB 3.36Å; S453-T457 PolarHBondContact O-N 3.3Å; S453-T457 VanDerWaalsContact O-N 3.13Å; S453-T457 PolarHBondContact O-OG1 3.11Å; F454-T457 WeakPolarHBondContact O-CA 3.42Å; F454-T457 WeakPolarHBondContact O-CB 3.38Å; F454-T457 PolarHBondContact O-N 3.16Å; F454-T457 VanDerWaalsContact O-N 3.08Å; T455-T457 VanDerWaalsContact C-N 3.29Å; T455-T457 PolarHBondContact O-N 3.15Å; T457-Q461 WeakPolarHBondContact O-CB 3.14Å; T457-Q461 WeakPolarHBondContact O-CG 3.37Å; T457-Q461 PolarHBondContact O-N 3.02Å; T457-Q461 VanDerWaalsContact O-N 3.1Å |
| 458 | V | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -54.1 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | W381 V385 K388 F454 T455 R460 Q461 A462 I474 | W381-V458 HydrophobicContact CH2-CG1 3.68Å; W381-V458 HydrophobicContact CZ2-CG1 4.31Å; W381-V458 HydrophobicContact CZ3-CG1 4.06Å; V385-V458 HydrophobicContact CG2-CG1 4.1Å; K388-V458 HydrophobicContact CB-CG2 4Å; K388-V458 HydrophobicContact CG-CG2 4.22Å; F454-V458 HydrophobicContact CD2-CG2 4.16Å; F454-V458 HydrophobicContact CE1-CG2 4.28Å; F454-V458 HydrophobicContact CE2-CG2 3.59Å; F454-V458 HydrophobicContact CZ-CG2 3.67Å; F454-V458 PolarHBondContact O-N 3.38Å; T455-V458 PolarHBondContact O-N 2.95Å; V458-R460 PolarHBondContact O-N 3.05Å; V458-Q461 PolarHBondContact O-N 3.4Å; V458-A462 PolarHBondContact O-N 2.88Å; V458-I474 HydrophobicContact CB-CD1 4.49Å; V458-I474 HydrophobicContact CG1-CD1 4.32Å; V458-I474 HydrophobicContact CG1-CG2 4.49Å; V458-I474 HydrophobicContact CG2-CD1 4.13Å |
| 459 | Y | 94.7 | Very high | 91.8 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 10% | 0.102 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | -179.9 | -73.3 | -63.8 | 0 | 0 | 0 | 112.4 | W381 T455 Q461 A462 N463 L468 K473 I474 V720 | W381-Y459 AromaticContact CH2-CD1 3.79Å; W381-Y459 HydrophobicContact CH2-CD1 3.79Å; W381-Y459 AromaticContact CH2-CE1 3.72Å; W381-Y459 HydrophobicContact CH2-CE1 3.72Å; W381-Y459 HydrophobicContact CZ2-CD1 4.49Å; W381-Y459 AromaticContact CZ2-CE1 3.98Å; W381-Y459 HydrophobicContact CZ2-CE1 3.98Å; T455-Y459 HydrophobicContact CG2-CD2 3.73Å; T455-Y459 HydrophobicContact CG2-CE2 3.49Å; T455-Y459 VanDerWaalsContact CG2-CE2 3.49Å; T455-Y459 VanDerWaalsContact O-CD2 3.3Å; T455-Y459 WeakPolarHBondContact O-CD2 3.4Å; T455-Y459 PolarHBondContact O-N 3.26Å; Y459-Q461 VanDerWaalsContact C-N 3.32Å; Y459-Q461 PolarHBondContact O-N 3.5Å; Y459-A462 PolarHBondContact O-N 2.98Å; Y459-N463 VanDerWaalsContact O-CG 3.31Å; Y459-N463 PolarHBondContact O-N 3.49Å; Y459-L468 HydrophobicContact CD1-CD1 3.8Å; Y459-L468 HydrophobicContact CD1-CD2 3.88Å; Y459-L468 HydrophobicContact CE1-CD1 4.04Å; Y459-K473 WeakPolarHBondContact OH-CA 3.37Å; Y459-I474 HydrophobicContact CD2-CG2 4.38Å; Y459-I474 HydrophobicContact CE1-CG2 4.5Å; Y459-I474 HydrophobicContact CE2-CG2 3.72Å; Y459-I474 PolarHBondContact OH-N 3.26Å; Y459-I474 VanDerWaalsContact OH-N 3.1Å; Y459-V720 HydrophobicContact CD2-CG1 4.29Å; Y459-V720 HydrophobicContact CD2-CG2 4.19Å; Y459-V720 HydrophobicContact CE2-CG1 4.11Å; Y459-V720 HydrophobicContact CE2-CG2 4.49Å |
| 460 | R | 93.4 | Very high | 91.6 | Very high | 122 Ų | 122 | 53.6 Ų | 53.6 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 175.6 | -179.2 | 176.1 | 64.5 | 113.1 | -4.1 | 111.8 | D456 V458 I464 | D456-R460 WeakPolarHBondContact O-CB 3.48Å; D456-R460 PolarHBondContact O-N 2.81Å; V458-R460 PolarHBondContact O-N 3.05Å; R460-I464 HydrophobicContact CG-CD1 4Å; R460-I464 WeakPolarHBondContact O-CD1 3.22Å; R460-I464 VanDerWaalsContact O-CG1 3.23Å; R460-I464 WeakPolarHBondContact O-CG1 3.15Å; R460-I464 PolarHBondContact O-N 3.22Å; R460-I464 VanDerWaalsContact O-N 3.11Å |
| 461 | Q | 91.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 53.4 Ų | 53.4 | 27% | 0.271 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 176.6 | -71.1 | -81.4 | -76.4 | 0 | 0 | 111.3 | T457 V458 Y459 N463 I464 I465 | T457-Q461 WeakPolarHBondContact O-CB 3.14Å; T457-Q461 WeakPolarHBondContact O-CG 3.37Å; T457-Q461 PolarHBondContact O-N 3.02Å; T457-Q461 VanDerWaalsContact O-N 3.1Å; V458-Q461 PolarHBondContact O-N 3.4Å; Y459-Q461 VanDerWaalsContact C-N 3.32Å; Y459-Q461 PolarHBondContact O-N 3.5Å; Q461-N463 VanDerWaalsContact C-N 3.3Å; Q461-N463 PolarHBondContact O-N 3.09Å; Q461-I464 PolarHBondContact O-N 3.28Å; Q461-I464 VanDerWaalsContact O-N 3.15Å; Q461-I465 WeakPolarHBondContact O-CG1 3.44Å; Q461-I465 PolarHBondContact O-N 3.31Å; Q461-I465 VanDerWaalsContact O-N 3.16Å |
| 462 | A | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | W381 L384 V458 Y459 I465 N466 M467 L468 | W381-A462 HydrophobicContact CZ3-CB 3.78Å; L384-A462 HydrophobicContact CD2-CB 3.55Å; V458-A462 PolarHBondContact O-N 2.88Å; Y459-A462 PolarHBondContact O-N 2.98Å; A462-I465 WeakPolarHBondContact O-CG1 3.14Å; A462-N466 PolarHBondContact O-N 3.07Å; A462-M467 PolarHBondContact O-N 3.22Å; A462-L468 HydrophobicContact CB-CB 3.9Å; A462-L468 HydrophobicContact CB-CD1 4.12Å; A462-L468 PolarHBondContact O-N 3.1Å |
| 463 | N | 91.3 | Very high | 91.3 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 173.9 | -71.1 | -14 | 0 | 0 | 0 | 112.2 | Y459 Q461 I465 N466 L468 I718 | Y459-N463 VanDerWaalsContact O-CG 3.31Å; Y459-N463 PolarHBondContact O-N 3.49Å; Q461-N463 VanDerWaalsContact C-N 3.3Å; Q461-N463 PolarHBondContact O-N 3.09Å; N463-I465 PolarHBondContact O-N 3.28Å; N463-N466 PolarHBondContact O-N 2.62Å; N463-L468 WeakPolarHBondContact OD1-CB 3.3Å; N463-L468 WeakPolarHBondContact OD1-CD2 3.34Å; N463-I718 WeakPolarHBondContact ND2-CD1 3.47Å |
| 464 | I | 89.7 | Confident | 91.3 | Very high | 106 Ų | 106 | 55.3 Ų | 55.3 | 54% | 0.544 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -33.5 | 178.9 | -73.1 | 164 | 0 | 0 | 0 | 112 | R460 Q461 | R460-I464 HydrophobicContact CG-CD1 4Å; R460-I464 WeakPolarHBondContact O-CD1 3.22Å; R460-I464 VanDerWaalsContact O-CG1 3.23Å; R460-I464 WeakPolarHBondContact O-CG1 3.15Å; R460-I464 PolarHBondContact O-N 3.22Å; R460-I464 VanDerWaalsContact O-N 3.11Å; Q461-I464 PolarHBondContact O-N 3.28Å; Q461-I464 VanDerWaalsContact O-N 3.15Å |
| 465 | I | 87.1 | Confident | 91.1 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 49% | 0.492 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.1 | 176.8 | 65.9 | 167.3 | 0 | 0 | 0 | 113.7 | L384 Q461 A462 N463 M467 | L384-I465 HydrophobicContact CD1-CD1 4.47Å; L384-I465 HydrophobicContact CD2-CD1 4.4Å; Q461-I465 WeakPolarHBondContact O-CG1 3.44Å; Q461-I465 PolarHBondContact O-N 3.31Å; Q461-I465 VanDerWaalsContact O-N 3.16Å; A462-I465 WeakPolarHBondContact O-CG1 3.14Å; N463-I465 PolarHBondContact O-N 3.28Å; I465-M467 HydrophobicContact CD1-CB 3.72Å; I465-M467 HydrophobicContact CD1-CG 4.34Å; I465-M467 HydrophobicContact CD1-SD 3.85Å; I465-M467 HydrophobicContact CG1-CB 3.68Å; I465-M467 PolarHBondContact O-N 2.77Å; I465-M467 VanDerWaalsContact O-N 3.1Å |
| 466 | N | 87.4 | Confident | 91.1 | Very high | 149 Ų | 149 | 58.3 Ų | 58.3 | 80% | 0.797 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 26.1 | -177.8 | -55.6 | -67.8 | 0 | 0 | 0 | 115.1 | A462 N463 | A462-N466 PolarHBondContact O-N 3.07Å; N463-N466 PolarHBondContact O-N 2.62Å |
| 467 | M | 88.9 | Confident | 91 | Very high | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | trans | -92.4 | -17.4 | -176.3 | -165.8 | -159.8 | 86.9 | 0 | 0 | 112.4 | E380 W381 L384 A462 I465 K469 M472 | E380-M467 HydrophobicContact CB-CE 4.28Å; E380-M467 HydrophobicContact CB-CG 4.3Å; E380-M467 HydrophobicContact CB-SD 3.97Å; W381-M467 HydrophobicContact CE3-CE 3.8Å; L384-M467 HydrophobicContact CB-CE 3.79Å; L384-M467 HydrophobicContact CB-SD 4.29Å; L384-M467 HydrophobicContact CD2-CE 3.58Å; L384-M467 HydrophobicContact CD2-SD 4.31Å; L384-M467 HydrophobicContact CG-CE 4.33Å; A462-M467 PolarHBondContact O-N 3.22Å; I465-M467 HydrophobicContact CD1-CB 3.72Å; I465-M467 HydrophobicContact CD1-CG 4.34Å; I465-M467 HydrophobicContact CD1-SD 3.85Å; I465-M467 HydrophobicContact CG1-CB 3.68Å; I465-M467 PolarHBondContact O-N 2.77Å; I465-M467 VanDerWaalsContact O-N 3.1Å; M467-K469 PolarHBondContact O-N 3.46Å; M467-M472 HydrophobicContact CE-CE 4.35Å; M467-M472 HydrophobicContact CE-SD 4.35Å; M467-M472 VanDerWaalsContact O-CE 3.26Å; M467-M472 WeakPolarHBondContact O-CE 3.28Å; M467-M472 VanDerWaalsContact O-SD 3.35Å | ||
| 468 | L | 89.9 | Confident | 91 | Very high | 42 Ų | 42 | 57.4 Ų | 57.4 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | trans | -70.5 | 113.2 | -178.1 | -166.5 | 70.8 | 0 | 0 | 0 | 111.4 | W381 Y459 A462 N463 M472 I718 | W381-L468 HydrophobicContact CE3-CD1 4.33Å; W381-L468 HydrophobicContact CH2-CD1 3.82Å; W381-L468 HydrophobicContact CZ3-CD1 3.63Å; Y459-L468 HydrophobicContact CD1-CD1 3.8Å; Y459-L468 HydrophobicContact CD1-CD2 3.88Å; Y459-L468 HydrophobicContact CE1-CD1 4.04Å; A462-L468 HydrophobicContact CB-CB 3.9Å; A462-L468 HydrophobicContact CB-CD1 4.12Å; A462-L468 PolarHBondContact O-N 3.1Å; N463-L468 WeakPolarHBondContact OD1-CB 3.3Å; N463-L468 WeakPolarHBondContact OD1-CD2 3.34Å; L468-M472 HydrophobicContact CD1-CB 3.78Å; L468-M472 HydrophobicContact CD1-SD 4.08Å; L468-I718 HydrophobicContact CD2-CD1 3.71Å | ||
| 469 | K | 89.7 | Confident | 90.9 | Very high | 81 Ų | 81 | 57.6 Ų | 57.6 | 35% | 0.352 | 29% | 0.285 | S | S | . | . | trans | -112.4 | 159.7 | 178.1 | -61.9 | 161.4 | -174.6 | 163.7 | 0 | 110 | N377 E380 M467 M472 | N377-K469 HydrophobicContact CB-CD 4.46Å; N377-K469 VanDerWaalsContact CG-CD 3.46Å; N377-K469 WeakPolarHBondContact OD1-CD 3.32Å; N377-K469 WeakPolarHBondContact OD1-CE 3.39Å; N377-K469 PolarHBondContact OD1-NZ 2.85Å; E380-K469 IonicContact OE1-NZ 3.24Å; E380-K469 PolarHBondContact OE1-NZ 3.44Å; E380-K469 IonicContact OE2-NZ 2.63Å; E380-K469 PolarHBondContact OE2-NZ 2.87Å; M467-K469 PolarHBondContact O-N 3.46Å; K469-M472 HydrophobicContact CB-CE 4.09Å; K469-M472 HydrophobicContact CB-CG 4.5Å; K469-M472 HydrophobicContact CB-SD 4.31Å; K469-M472 HydrophobicContact CD-CE 3.94Å; K469-M472 HydrophobicContact CG-CE 4.23Å; K469-M472 PolarHBondContact N-SD 3.33Å; K469-M472 VanDerWaalsContact N-SD 3.38Å; K469-M472 VanDerWaalsContact O-CB 3.28Å; K469-M472 WeakPolarHBondContact O-CB 3.26Å; K469-M472 WeakPolarHBondContact O-CG 3.42Å; K469-M472 PolarHBondContact O-N 2.96Å | ||
| 470 | D | 85.8 | Confident | 90.8 | Very high | 159 Ų | 159 | 61.5 Ų | 61.5 | 85% | 0.85 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 146.9 | -179.3 | -172.2 | 33.8 | 0 | 0 | 0 | 112.4 | M472 | D470-M472 PolarHBondContact O-N 2.92Š|
| 471 | G | 86 | Confident | 90.8 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -12.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K473 | G471-K473 PolarHBondContact O-N 2.9Š|
| 472 | M | 92.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | trans | -64 | 117.3 | 168.7 | -72 | -174 | 176.3 | 0 | 0 | 110.1 | S371 A372 N377 W381 M467 L468 K469 D470 | S371-M472 CarbonylContact O-C 3.59Å; S371-M472 WeakPolarHBondContact O-CA 3.5Å; A372-M472 HydrophobicContact CB-CG 4.12Å; N377-M472 HydrophobicContact CB-CE 3.8Å; N377-M472 WeakPolarHBondContact O-CE 3.42Å; W381-M472 HydrophobicContact CB-CE 4.2Å; W381-M472 HydrophobicContact CB-CG 4.3Å; W381-M472 HydrophobicContact CB-SD 4.17Å; W381-M472 HydrophobicContact CD2-CB 4.02Å; W381-M472 HydrophobicContact CD2-CG 4.23Å; W381-M472 HydrophobicContact CD2-SD 4.11Å; W381-M472 HydrophobicContact CE3-CB 4.27Å; W381-M472 HydrophobicContact CE3-CG 4.43Å; W381-M472 HydrophobicContact CE3-SD 3.77Å; W381-M472 HydrophobicContact CG-CB 4.31Å; W381-M472 HydrophobicContact CG-CG 4.18Å; W381-M472 HydrophobicContact CG-SD 4.31Å; W381-M472 HydrophobicContact CZ2-CB 4.5Å; W381-M472 HydrophobicContact CZ3-SD 4.47Å; M467-M472 HydrophobicContact CE-CE 4.35Å; M467-M472 HydrophobicContact CE-SD 4.35Å; M467-M472 VanDerWaalsContact O-CE 3.26Å; M467-M472 WeakPolarHBondContact O-CE 3.28Å; M467-M472 VanDerWaalsContact O-SD 3.35Å; L468-M472 HydrophobicContact CD1-CB 3.78Å; L468-M472 HydrophobicContact CD1-SD 4.08Å; K469-M472 HydrophobicContact CB-CE 4.09Å; K469-M472 HydrophobicContact CB-CG 4.5Å; K469-M472 HydrophobicContact CB-SD 4.31Å; K469-M472 HydrophobicContact CD-CE 3.94Å; K469-M472 HydrophobicContact CG-CE 4.23Å; K469-M472 PolarHBondContact N-SD 3.33Å; K469-M472 VanDerWaalsContact N-SD 3.38Å; K469-M472 VanDerWaalsContact O-CB 3.28Å; K469-M472 WeakPolarHBondContact O-CB 3.26Å; K469-M472 WeakPolarHBondContact O-CG 3.42Å; K469-M472 PolarHBondContact O-N 2.96Å; D470-M472 PolarHBondContact O-N 2.92Å | ||
| 473 | K | 93 | Very high | 90.9 | Very high | 94 Ų | 94 | 69.2 Ų | 69.2 | 41% | 0.409 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.3 | -179.1 | -64.2 | 175.2 | -174.7 | 173.5 | 0 | 111.7 | A370 S371 W381 Y459 G471 | A370-K473 WeakPolarHBondContact CA-O 3.47Å; S371-K473 PolarHBondContact N-O 3.49Å; S371-K473 PolarHBondContact O-N 3.08Å; W381-K473 PolarHBondContact NE1-O 3.42Å; Y459-K473 WeakPolarHBondContact OH-CA 3.37Å; G471-K473 PolarHBondContact O-N 2.9Å |
| 474 | I | 94.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.4 | 168.4 | -170.4 | 179.7 | 0 | 0 | 0 | 109 | L368 T369 W381 V385 F454 T455 V458 Y459 | L368-I474 HydrophobicContact CD1-CD1 3.88Å; L368-I474 HydrophobicContact CD1-CG1 3.81Å; L368-I474 HydrophobicContact CD2-CD1 4.39Å; L368-I474 HydrophobicContact CG-CD1 4.41Å; L368-I474 HydrophobicContact CG-CG1 4.43Å; T369-I474 WeakPolarHBondContact O-CA 3.22Å; W381-I474 HydrophobicContact CH2-CG2 4.49Å; W381-I474 HydrophobicContact CZ2-CB 3.82Å; W381-I474 HydrophobicContact CZ2-CG2 3.96Å; V385-I474 HydrophobicContact CB-CD1 4.45Å; V385-I474 HydrophobicContact CG1-CD1 3.69Å; V385-I474 HydrophobicContact CG1-CG1 4.45Å; V385-I474 HydrophobicContact CG2-CD1 3.93Å; V385-I474 HydrophobicContact CG2-CG1 4.49Å; F454-I474 HydrophobicContact CE1-CD1 3.56Å; F454-I474 HydrophobicContact CZ-CD1 3.86Å; T455-I474 HydrophobicContact CG2-CG2 4.1Å; V458-I474 HydrophobicContact CB-CD1 4.49Å; V458-I474 HydrophobicContact CG1-CD1 4.32Å; V458-I474 HydrophobicContact CG1-CG2 4.49Å; V458-I474 HydrophobicContact CG2-CD1 4.13Å; Y459-I474 HydrophobicContact CD2-CG2 4.38Å; Y459-I474 HydrophobicContact CE1-CG2 4.5Å; Y459-I474 HydrophobicContact CE2-CG2 3.72Å; Y459-I474 PolarHBondContact OH-N 3.26Å; Y459-I474 VanDerWaalsContact OH-N 3.1Å |
| 475 | E | 91.9 | Very high | 90.9 | Very high | 71 Ų | 71 | 67 Ų | 67 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 143.7 | -179.8 | -66.5 | -179.5 | -172.2 | 0 | 0 | 109.2 | T369 | T369-E475 PolarHBondContact N-O 3.34Å; T369-E475 PolarHBondContact O-N 2.94Å |
| 476 | A | 93 | Very high | 91 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I366 V367 L368 I451 | I366-A476 HydrophobicContact CG2-CB 4.15Å; V367-A476 CarbonylContact O-C 3.53Å; V367-A476 VanDerWaalsContact O-CA 3.32Å; V367-A476 WeakPolarHBondContact O-CA 3.39Å; L368-A476 HydrophobicContact CD1-CB 3.85Å; I451-A476 HydrophobicContact CD1-CB 3.76Å; I451-A476 HydrophobicContact CG2-CB 3.85Å |
| 477 | T | 92.3 | Very high | 91 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142 | -178.5 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | I366 V367 Y487 | I366-T477 CarbonylContact C-O 3.59Å; I366-T477 VanDerWaalsContact CA-O 3.31Å; I366-T477 WeakPolarHBondContact CA-O 3.36Å; V367-T477 PolarHBondContact N-O 3.5Å; V367-T477 PolarHBondContact O-N 3.27Å; T477-Y487 PolarHBondContact OG1-OH 2.84Å |
| 478 | H | 93.3 | Very high | 91.1 | Very high | 41 Ų | 41 | 62.2 Ų | 62.2 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 135.5 | 170.8 | 167.3 | -84.2 | 0 | 0 | 0 | 110.5 | H364 K480 I725 L727 | H364-H478 AromaticContact ND1-NE2 3.4Å; H364-H478 PolarHBondContact ND1-NE2 2.95Å; H478-K480 WeakPolarHBondContact NE2-CE 3.34Å; H478-K480 WeakPolarHBondContact NE2-CG 3.36Å; H478-I725 HydrophobicContact CB-CG2 3.68Å; H478-L727 HydrophobicContact CB-CD1 4.39Å; H478-L727 HydrophobicContact CB-CD2 3.82Å; H478-L727 VanDerWaalsContact CD2-CD1 3.47Å; H478-L727 WeakPolarHBondContact CD2-CD1 3.29Å; H478-L727 VanDerWaalsContact ND1-CD2 3.34Å; H478-L727 WeakPolarHBondContact ND1-CD2 3.38Å |
| 479 | V | 92.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.1 | 174.2 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | Y365 V367 L484 Y487 | Y365-V479 PolarHBondContact N-O 3.02Å; Y365-V479 PolarHBondContact O-N 3.47Å; V367-V479 HydrophobicContact CG2-CB 4.45Å; V367-V479 HydrophobicContact CG2-CG1 3.9Å; V367-V479 HydrophobicContact CG2-CG2 3.64Å; V479-L484 HydrophobicContact CG2-CD2 3.68Å; V479-Y487 HydrophobicContact CG1-CD2 4.39Å; V479-Y487 HydrophobicContact CG1-CE2 3.6Å |
| 480 | K | 92.6 | Very high | 90.6 | Very high | 108 Ų | 108 | 62.1 Ų | 62.1 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 147.9 | 167.1 | -60.3 | 179.7 | -179.9 | 179.5 | 0 | 108.2 | H478 K482 Q483 | H478-K480 WeakPolarHBondContact NE2-CE 3.34Å; H478-K480 WeakPolarHBondContact NE2-CG 3.36Å; K480-K482 PolarHBondContact O-N 3.29Å; K480-Q483 WeakPolarHBondContact O-CB 3.02Å; K480-Q483 PolarHBondContact O-N 2.67Å |
| 481 | K | 93.5 | Very high | 90.5 | Very high | 72 Ų | 72 | 61 Ų | 61 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -43.4 | -40.7 | 178.7 | 178.5 | 179.7 | 172.4 | 171.5 | 0 | 114 | Q360 Y362 R363 Y365 Q483 L484 | Q360-K481 PolarHBondContact O-NZ 3.46Å; Y362-K481 WeakPolarHBondContact O-CD 3.42Å; R363-K481 WeakPolarHBondContact O-CB 3.4Å; R363-K481 PolarHBondContact O-N 3.28Å; Y365-K481 HydrophobicContact CE2-CB 4.04Å; Y365-K481 HydrophobicContact CE2-CG 4.39Å; K481-Q483 PolarHBondContact O-N 3.38Å; K481-L484 PolarHBondContact O-N 2.99Å |
| 482 | K | 92.1 | Very high | 90.3 | Very high | 187 Ų | 187 | 62.7 Ų | 62.7 | 81% | 0.813 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -60.4 | -24.6 | 179 | -68.4 | -171.1 | 177.4 | -174.9 | 0 | 113.9 | K480 H485 | K480-K482 PolarHBondContact O-N 3.29Å; K482-H485 PolarHBondContact O-CE1 3.21Å; K482-H485 PolarHBondContact O-ND1 3.18Å |
| 483 | Q | 92.1 | Very high | 89.7 | Confident | 82 Ų | 82 | 63.2 Ų | 63.2 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -93.4 | -7.4 | -174.2 | -62.6 | 167.4 | -76.3 | 0 | 0 | 113.8 | K480 K481 H485 H486 | K480-Q483 WeakPolarHBondContact O-CB 3.02Å; K480-Q483 PolarHBondContact O-N 2.67Å; K481-Q483 PolarHBondContact O-N 3.38Å; Q483-H485 PolarHBondContact O-N 3.43Å; Q483-H486 PolarHBondContact O-N 2.77Å; Q483-H486 PolarHBondContact O-ND1 3.36Å |
| 484 | L | 91.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -58.5 | -22.5 | -175.7 | -71 | 173.3 | 0 | 0 | 0 | 114.3 | F359 Y365 F429 V479 K481 H486 Y487 L488 L493 | F359-L484 HydrophobicContact CB-CD1 4.02Å; F359-L484 HydrophobicContact CD1-CD1 4.1Å; Y365-L484 HydrophobicContact CD2-CD1 3.91Å; Y365-L484 HydrophobicContact CD2-CD2 4.11Å; Y365-L484 HydrophobicContact CD2-CG 4.27Å; Y365-L484 HydrophobicContact CE2-CD1 3.66Å; Y365-L484 HydrophobicContact CE2-CG 4.46Å; Y365-L484 HydrophobicContact CG-CD2 4.27Å; F429-L484 HydrophobicContact CD1-CD2 4.05Å; F429-L484 HydrophobicContact CE1-CD2 3.98Å; V479-L484 HydrophobicContact CG2-CD2 3.68Å; K481-L484 PolarHBondContact O-N 2.99Å; L484-H486 PolarHBondContact O-N 2.86Å; L484-Y487 PolarHBondContact O-N 3.05Å; L484-L488 PolarHBondContact O-N 3.38Å; L484-L493 HydrophobicContact CB-CD1 4.12Å; L484-L493 HydrophobicContact CB-CD2 3.85Å; L484-L493 HydrophobicContact CD1-CD2 4.18Å |
| 485 | H | 89.9 | Confident | 86.7 | Confident | 118 Ų | 118 | 70.2 Ų | 70.2 | 55% | 0.546 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -66.7 | -12.4 | -179.7 | 64.3 | -97.1 | 0 | 0 | 0 | 114.9 | K482 Q483 Y487 L493 | K482-H485 PolarHBondContact O-CE1 3.21Å; K482-H485 PolarHBondContact O-ND1 3.18Å; Q483-H485 PolarHBondContact O-N 3.43Å; H485-Y487 VanDerWaalsContact C-N 3.34Å; H485-L493 HydrophobicContact CB-CD1 3.95Å |
| 486 | H | 88.3 | Confident | 84.3 | Confident | 99 Ų | 99 | 74.8 Ų | 74.8 | 46% | 0.458 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -78 | -23 | 169.9 | -54.8 | 85.1 | 0 | 0 | 0 | 112.2 | N415 Q483 L484 | N415-H486 PolarHBondContact ND2-O 3.11Å; Q483-H486 PolarHBondContact O-N 2.77Å; Q483-H486 PolarHBondContact O-ND1 3.36Å; L484-H486 PolarHBondContact O-N 2.86Å |
| 487 | Y | 88.6 | Confident | 81.8 | Confident | 66 Ų | 66 | 82.7 Ų | 82.7 | 26% | 0.259 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -27.1 | -172 | -66 | -98.2 | 0 | 0 | 0 | 113.3 | V367 M427 T477 V479 L484 H485 | V367-Y487 HydrophobicContact CB-CD1 4.48Å; V367-Y487 HydrophobicContact CB-CE1 4.26Å; V367-Y487 HydrophobicContact CG1-CD1 3.96Å; V367-Y487 HydrophobicContact CG1-CE1 4.09Å; V367-Y487 HydrophobicContact CG2-CD1 4.17Å; V367-Y487 HydrophobicContact CG2-CE1 4.1Å; V367-Y487 HydrophobicContact CG2-CG 4.49Å; M427-Y487 WeakPolarHBondContact CE-O 3.28Å; M427-Y487 HydrophobicContact SD-CD1 3.93Å; T477-Y487 PolarHBondContact OG1-OH 2.84Å; V479-Y487 HydrophobicContact CG1-CD2 4.39Å; V479-Y487 HydrophobicContact CG1-CE2 3.6Å; L484-Y487 PolarHBondContact O-N 3.05Å; H485-Y487 VanDerWaalsContact C-N 3.34Å |
| 488 | L | 89.6 | Confident | 79 | Confident | 7 Ų | 7 | 89.8 Ų | 89.8 | 4% | 0.037 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -134.4 | 134.6 | -172.1 | -69 | 172.1 | 0 | 0 | 0 | 111.6 | F359 F412 F429 L484 I492 L493 | F359-L488 HydrophobicContact CD1-CD1 3.66Å; F359-L488 HydrophobicContact CD2-CD1 4.28Å; F359-L488 HydrophobicContact CE1-CD1 3.31Å; F359-L488 HydrophobicContact CE2-CD1 3.98Å; F359-L488 HydrophobicContact CG-CD1 4.14Å; F359-L488 HydrophobicContact CZ-CD1 3.48Å; F359-L488 VanDerWaalsContact CZ-CD1 3.48Å; F412-L488 HydrophobicContact CB-CD2 4Å; F412-L488 HydrophobicContact CD1-CD2 3.77Å; F412-L488 HydrophobicContact CD2-CD2 4.32Å; F412-L488 HydrophobicContact CE1-CD2 4.38Å; F412-L488 HydrophobicContact CG-CD2 3.74Å; F429-L488 HydrophobicContact CD1-CD1 4.4Å; F429-L488 HydrophobicContact CD2-CD1 4.47Å; F429-L488 HydrophobicContact CE1-CD1 3.88Å; F429-L488 HydrophobicContact CE1-CG 4.2Å; F429-L488 HydrophobicContact CE2-CD1 3.99Å; F429-L488 HydrophobicContact CE2-CD2 3.85Å; F429-L488 HydrophobicContact CE2-CG 4.09Å; F429-L488 HydrophobicContact CZ-CD1 3.67Å; F429-L488 HydrophobicContact CZ-CD2 3.85Å; F429-L488 HydrophobicContact CZ-CG 3.63Å; L484-L488 PolarHBondContact O-N 3.38Å; L488-I492 HydrophobicContact CD1-CG2 4.44Å; L488-I492 HydrophobicContact CD2-CD1 4.31Å; L488-L493 HydrophobicContact CB-CD1 4.22Å; L488-L493 HydrophobicContact CB-CD2 4.04Å; L488-L493 HydrophobicContact CB-CG 4.02Å; L488-L493 HydrophobicContact CD1-CD2 3.99Å; L488-L493 WeakPolarHBondContact O-CD1 3.31Å |
| 489 | P | 87 | Confident | 76.2 | Confident | 74 Ų | 74 | 91.6 Ų | 91.6 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | trans | -53.8 | 153.7 | 173.5 | -28.2 | 34.8 | 0 | 0 | 0 | 114.4 | E491 I492 L493 | P489-E491 WeakPolarHBondContact CB-OE2 3.42Å; P489-E491 PolarHBondContact O-N 3.37Å; P489-E491 VanDerWaalsContact O-N 3.16Å; P489-I492 PolarHBondContact O-N 3.48Å; P489-I492 VanDerWaalsContact O-N 3.1Å; P489-L493 PolarHBondContact O-N 3.46Å | ||
| 490 | A | 82.8 | Confident | 73.7 | Confident | 46 Ų | 46 | 98.3 Ų | 98.3 | 38% | 0.38 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -30.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I492 L493 Q494 | A490-I492 VanDerWaalsContact C-N 3.3Å; A490-I492 PolarHBondContact O-N 3.28Å; A490-L493 PolarHBondContact O-N 3.17Å; A490-Q494 WeakPolarHBondContact O-CA 3.46Å; A490-Q494 WeakPolarHBondContact O-CB 3.46Å; A490-Q494 WeakPolarHBondContact O-CG 3.33Å; A490-Q494 PolarHBondContact O-N 3.36Å |
| 491 | E | 83.3 | Confident | 70.9 | Confident | 135 Ų | 135 | 96.4 Ų | 96.4 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.4 | -31.1 | -178.7 | -59.6 | 62.6 | -132.6 | 0 | 0 | 111.8 | P489 K495 | P489-E491 WeakPolarHBondContact CB-OE2 3.42Å; P489-E491 PolarHBondContact O-N 3.37Å; P489-E491 VanDerWaalsContact O-N 3.16Å; E491-K495 WeakPolarHBondContact O-CG 3.28Å |
| 492 | I | 82.6 | Confident | 68 | Low | 49 Ų | 49 | 98.4 Ų | 98.4 | 25% | 0.251 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -79.8 | -38.2 | 177.9 | -55.6 | -173.7 | 0 | 0 | 0 | 109.9 | F359 F412 L488 P489 A490 | F359-I492 HydrophobicContact CD2-CG2 3.85Å; F359-I492 HydrophobicContact CE2-CG2 3.51Å; F359-I492 HydrophobicContact CZ-CG2 4.41Å; F412-I492 HydrophobicContact CD1-CD1 3.96Å; F412-I492 HydrophobicContact CE1-CD1 3.95Å; F412-I492 HydrophobicContact CE1-CG2 4.18Å; L488-I492 HydrophobicContact CD1-CG2 4.44Å; L488-I492 HydrophobicContact CD2-CD1 4.31Å; P489-I492 PolarHBondContact O-N 3.48Å; P489-I492 VanDerWaalsContact O-N 3.1Å; A490-I492 VanDerWaalsContact C-N 3.3Å; A490-I492 PolarHBondContact O-N 3.28Å |
| 493 | L | 80.3 | Confident | 65.4 | Low | 21 Ų | 21 | 95.2 Ų | 95.2 | 11% | 0.11 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -82.3 | -32.5 | -178 | -61.5 | 178.8 | 0 | 0 | 0 | 113.5 | F359 Q360 L484 H485 L488 P489 A490 | F359-L493 HydrophobicContact CB-CD2 3.73Å; F359-L493 HydrophobicContact CD1-CD2 4.47Å; F359-L493 HydrophobicContact CD2-CD2 4.43Å; F359-L493 HydrophobicContact CG-CD2 3.96Å; Q360-L493 PolarHBondContact NE2-O 2.81Å; L484-L493 HydrophobicContact CB-CD1 4.12Å; L484-L493 HydrophobicContact CB-CD2 3.85Å; L484-L493 HydrophobicContact CD1-CD2 4.18Å; H485-L493 HydrophobicContact CB-CD1 3.95Å; L488-L493 HydrophobicContact CB-CD1 4.22Å; L488-L493 HydrophobicContact CB-CD2 4.04Å; L488-L493 HydrophobicContact CB-CG 4.02Å; L488-L493 HydrophobicContact CD1-CD2 3.99Å; L488-L493 WeakPolarHBondContact O-CD1 3.31Å; P489-L493 PolarHBondContact O-N 3.46Å; A490-L493 PolarHBondContact O-N 3.17Å |
| 494 | Q | 64.3 | Low | 62.6 | Low | 125 Ų | 125 | 96.7 Ų | 96.7 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | trans | -103.2 | 39.1 | -175.6 | -58.2 | -160.5 | 56.3 | 0 | 0 | 113.5 | A490 K496 | A490-Q494 WeakPolarHBondContact O-CA 3.46Å; A490-Q494 WeakPolarHBondContact O-CB 3.46Å; A490-Q494 WeakPolarHBondContact O-CG 3.33Å; A490-Q494 PolarHBondContact O-N 3.36Å; Q494-K496 PolarHBondContact O-N 3.46Å | ||
| 495 | K | 58.9 | Low | 59.7 | Low | 121 Ų | 121 | 107.5 Ų | 107.5 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | trans | -68.7 | 57.8 | 163.6 | -67.3 | -171.9 | 177.2 | 174.5 | 0 | 112.4 | N357 E491 | N357-K495 PolarHBondContact OD1-O 3.43Å; E491-K495 WeakPolarHBondContact O-CG 3.28Å | ||
| 496 | K | 40.8 | Very low | 56.9 | Low | 167 Ų | 167 | 109.4 Ų | 109.4 | 73% | 0.726 | 55% | 0.552 | S | S | * | * | trans | -60.1 | 152.1 | 153.7 | -69 | 177.5 | 177.7 | 172.6 | 0 | 107.8 | Q494 K498 | Q494-K496 PolarHBondContact O-N 3.46Å; K496-K498 PolarHBondContact O-N 3.35Å | ||
| 497 | K | 40.3 | Very low | 54.3 | Low | 168 Ų | 168 | 111 Ų | 111 | 73% | 0.73 | 57% | 0.574 | S | S | * | * | trans | -58.5 | 100.8 | 176.6 | -74.8 | -166.5 | 167.4 | -151.9 | 0 | 111 | E354 | E354-K497 IonicContact OE1-NZ 3.69Å; E354-K497 PolarHBondContact OE1-NZ 3.34Å; E354-K497 IonicContact OE2-NZ 2.93Å | ||
| 498 | K | 35.1 | Very low | 51.3 | Low | 193 Ų | 193 | 111.7 Ų | 111.7 | 84% | 0.839 | 60% | 0.602 | S | S | * | * | trans | -75.4 | 117 | 148.6 | -84.1 | -166.4 | 170.9 | -171.2 | 0 | 106.8 | K496 | K496-K498 PolarHBondContact O-N 3.35Š| ||
| 499 | S | 32.7 | Very low | 48.3 | Very low | 78 Ų | 78 | 115.2 Ų | 115.2 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | trans | -59.6 | 146 | 167.5 | 172.9 | 0 | 0 | 0 | 0 | 109.4 | S501 | S499-S501 VanDerWaalsContact CB-OG 3.29Å; S499-S501 WeakPolarHBondContact CB-OG 3.38Å; S499-S501 PolarHBondContact O-N 3.49Å; S499-S501 VanDerWaalsContact O-N 3.14Å; S499-S501 WeakPolarHBondContact OG-CB 3.36Å; S499-S501 PolarHBondContact OG-N 3.44Å; S499-S501 PolarHBondContact OG-OG 3.19Å | ||
| 500 | L | 41.7 | Very low | 45.5 | Very low | 145 Ų | 145 | 118.9 Ų | 118.9 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -76.8 | 14.3 | 174.4 | -82.6 | 164.6 | 0 | 0 | 0 | 113.2 | D502 | L500-D502 VanDerWaalsContact C-N 3.34Å; L500-D502 PolarHBondContact O-N 2.81Å |
| 501 | S | 32.3 | Very low | 42.8 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 48% | 0.476 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -69.8 | -24.2 | -179.8 | 44.1 | 0 | 0 | 0 | 0 | 114.9 | S499 V503 | S499-S501 VanDerWaalsContact CB-OG 3.29Å; S499-S501 WeakPolarHBondContact CB-OG 3.38Å; S499-S501 PolarHBondContact O-N 3.49Å; S499-S501 VanDerWaalsContact O-N 3.14Å; S499-S501 WeakPolarHBondContact OG-CB 3.36Å; S499-S501 PolarHBondContact OG-N 3.44Å; S499-S501 PolarHBondContact OG-OG 3.19Å; S501-V503 PolarHBondContact O-N 3.39Å |
| 502 | D | 33.1 | Very low | 40.1 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -91.1 | -1.7 | -160.3 | -57.9 | -1.1 | 0 | 0 | 0 | 113.4 | L500 | L500-D502 VanDerWaalsContact C-N 3.34Å; L500-D502 PolarHBondContact O-N 2.81Å |
| 503 | V | 37.8 | Very low | 37.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -76 | -23.3 | -179.5 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | S501 R505 | S501-V503 PolarHBondContact O-N 3.39Å; V503-R505 PolarHBondContact O-N 3.06Å |
| 504 | S | 32.6 | Very low | 34.9 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -93.3 | 20.5 | -174.2 | -57.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 505 | R | 31 | Very low | 33 | Very low | 230 Ų | 230 | 140.7 Ų | 140.7 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | -134.2 | 40 | -178.3 | -74.2 | -165.5 | 176.5 | -171.7 | 0.6 | 115.5 | V503 | V503-R505 PolarHBondContact O-N 3.06Š| ||
| 506 | I | 31.5 | Very low | 31.4 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -129.1 | 96.1 | 160.5 | -54 | -178.7 | 0 | 0 | 0 | 109.1 | ||||
| 507 | S | 33.9 | Very low | 30.7 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 92% | 0.923 | 77% | 0.773 | S | S | * | * | trans | -156.8 | 102.5 | 169.6 | -78.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 508 | G | 25.3 | Very low | 29.9 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 130 | 136.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 509 | G | 26.2 | Very low | 29.4 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 105.3 | 45.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 510 | L | 28.4 | Very low | 29 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 41 | 120.1 | 137.6 | -157.8 | 66.3 | 0 | 0 | 0 | 121.9 | ||||
| 511 | Q | 27.5 | Very low | 28.2 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 82.1 | 123.5 | 146.3 | -81.2 | 177.2 | 31.8 | 0 | 0 | 124.5 | ||||
| 512 | S | 26.5 | Very low | 28 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 78.4 | 88.8 | 134.6 | -152.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 513 | K | 26.1 | Very low | 27.7 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | -164.1 | 140.1 | 105.1 | -101.8 | 165.1 | -175.8 | 175.9 | 0 | 110.5 | |||||
| 514 | R | 28 | Very low | 27.2 | Very low | 262 Ų | 262 | 135.1 Ų | 135.1 | 99% | 0.989 | 78% | 0.779 | S | S | * | * | trans | -83.6 | 117 | 175.5 | -85.4 | -177.7 | 171 | 169.9 | -3.4 | 110.4 | ||||
| 515 | S | 22.7 | Very low | 27 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -126.7 | 122.5 | 153.6 | 46.7 | 0 | 0 | 0 | 0 | 108.1 | L517 | S515-L517 PolarHBondContact O-N 3.27Š| ||
| 516 | S | 25.2 | Very low | 27.2 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | trans | -81.7 | 100.7 | -179 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 517 | L | 26 | Very low | 27.2 | Very low | 146 Ų | 146 | 122 Ų | 122 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | -103.7 | 91.8 | 169.4 | -76.5 | 170.3 | 0 | 0 | 0 | 109.6 | S515 S519 | S515-L517 PolarHBondContact O-N 3.27Å; L517-S519 PolarHBondContact O-N 3.02Å; L517-S519 PolarHBondContact O-OG 3.36Å | ||
| 518 | D | 23.6 | Very low | 27.2 | Very low | 138 Ų | 138 | 117.8 Ų | 117.8 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | -57.8 | 126.8 | 161 | -169.8 | -18.6 | 0 | 0 | 0 | 108.2 | S520 | D518-S520 WeakPolarHBondContact OD1-CB 3.48Å; D518-S520 PolarHBondContact OD1-N 3.47Å; D518-S520 VanDerWaalsContact OD1-N 3.13Å; D518-S520 PolarHBondContact OD1-OG 2.88Å | ||
| 519 | S | 25.5 | Very low | 27.6 | Very low | 96 Ų | 96 | 118 Ų | 118 | 67% | 0.671 | 66% | 0.663 | S | S | * | * | trans | -134.7 | 37 | -173.5 | 37.7 | 0 | 0 | 0 | 0 | 111.3 | L517 C521 | L517-S519 PolarHBondContact O-N 3.02Å; L517-S519 PolarHBondContact O-OG 3.36Å; S519-C521 PolarHBondContact O-N 3.06Å | ||
| 520 | S | 24.2 | Very low | 27.6 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 54% | 0.538 | 64% | 0.639 | S | S | . | * | trans | -64.5 | 66 | 164 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | D518 L522 | D518-S520 WeakPolarHBondContact OD1-CB 3.48Å; D518-S520 PolarHBondContact OD1-N 3.47Å; D518-S520 VanDerWaalsContact OD1-N 3.13Å; D518-S520 PolarHBondContact OD1-OG 2.88Å; S520-L522 PolarHBondContact O-N 2.63Å | ||
| 521 | C | 25.8 | Very low | 27.5 | Very low | 125 Ų | 125 | 110.8 Ų | 110.8 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | trans | -71.8 | 70.3 | 174 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | S519 | S519-C521 PolarHBondContact O-N 3.06Š| ||
| 522 | L | 27.4 | Very low | 28 | Very low | 151 Ų | 151 | 105.4 Ų | 105.4 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | trans | -66.8 | 150.9 | -173.8 | -74.4 | 169.5 | 0 | 0 | 0 | 113.7 | S520 S524 | S520-L522 PolarHBondContact O-N 2.63Å; L522-S524 PolarHBondContact O-N 3.37Å; L522-S524 VanDerWaalsContact O-N 3.15Å | ||
| 523 | D | 27.4 | Very low | 28.1 | Very low | 109 Ų | 109 | 102.8 Ų | 102.8 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | trans | -73.6 | 98.9 | -179.7 | -176.1 | 1.3 | 0 | 0 | 0 | 110.8 | S525 | D523-S525 VanDerWaalsContact CG-OG 3.23Å; D523-S525 PolarHBondContact O-N 3.22Å; D523-S525 VanDerWaalsContact OD1-CB 3.29Å; D523-S525 WeakPolarHBondContact OD1-CB 3.26Å; D523-S525 PolarHBondContact OD1-N 2.94Å; D523-S525 PolarHBondContact OD1-OG 2.85Å; D523-S525 PolarHBondContact OD2-OG 3.24Å | ||
| 524 | S | 25.5 | Very low | 28 | Very low | 93 Ų | 93 | 95.4 Ų | 95.4 | 65% | 0.65 | 55% | 0.545 | S | S | * | . | trans | -78 | 11.4 | 177.1 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | L522 R526 | L522-S524 PolarHBondContact O-N 3.37Å; L522-S524 VanDerWaalsContact O-N 3.15Å; S524-R526 PolarHBondContact O-N 3.2Å | ||
| 525 | S | 29.3 | Very low | 27.9 | Very low | 40 Ų | 40 | 87.6 Ų | 87.6 | 28% | 0.28 | 52% | 0.523 | S | S | . | . | trans | -80.4 | 66.6 | 169.1 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | K223 D523 D527 | K223-S525 VanDerWaalsContact CD-OG 3.29Å; K223-S525 WeakPolarHBondContact CD-OG 3.47Å; K223-S525 VanDerWaalsContact CE-OG 3.3Å; K223-S525 WeakPolarHBondContact CE-OG 3.25Å; K223-S525 PolarHBondContact NZ-O 3.26Å; K223-S525 PolarHBondContact NZ-OG 2.91Å; D523-S525 VanDerWaalsContact CG-OG 3.23Å; D523-S525 PolarHBondContact O-N 3.22Å; D523-S525 VanDerWaalsContact OD1-CB 3.29Å; D523-S525 WeakPolarHBondContact OD1-CB 3.26Å; D523-S525 PolarHBondContact OD1-N 2.94Å; D523-S525 PolarHBondContact OD1-OG 2.85Å; D523-S525 PolarHBondContact OD2-OG 3.24Å; S525-D527 PolarHBondContact O-N 3.11Å | ||
| 526 | R | 34.9 | Very low | 27.9 | Very low | 136 Ų | 136 | 86.2 Ų | 86.2 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | trans | -51.8 | 130.3 | 169.3 | -91.4 | -176.9 | 160.7 | 142.2 | -6.2 | 109.8 | E156 S524 T528 | E156-R526 IonicContact OE1-CZ 3.56Å; E156-R526 IonicContact OE1-NH2 2.96Å; E156-R526 PolarHBondContact OE1-NH2 3.38Å; E156-R526 IonicContact OE2-NE 2.84Å; E156-R526 IonicContact OE2-NH2 2.91Å; S524-R526 PolarHBondContact O-N 3.2Å; R526-T528 HydrophobicContact CB-CG2 4.19Å; R526-T528 PolarHBondContact O-N 2.83Å | ||
| 527 | D | 32.6 | Very low | 28 | Very low | 47 Ų | 47 | 86.5 Ų | 86.5 | 25% | 0.251 | 51% | 0.512 | S | S | . | . | trans | -78.6 | 19.5 | -177.5 | -94.3 | 32.4 | 0 | 0 | 0 | 112.8 | K219 K223 Y228 S525 D529 | K219-D527 IonicContact NZ-OD2 2.91Å; K219-D527 PolarHBondContact NZ-OD2 2.87Å; K223-D527 WeakPolarHBondContact CE-OD1 3.17Å; K223-D527 IonicContact NZ-OD1 3.56Å; K223-D527 PolarHBondContact NZ-OD1 2.86Å; Y228-D527 WeakPolarHBondContact CE1-OD1 3.17Å; Y228-D527 VanDerWaalsContact OH-CG 3.29Å; Y228-D527 PolarHBondContact OH-OD1 3.21Å; Y228-D527 PolarHBondContact OH-OD2 3.37Å; S525-D527 PolarHBondContact O-N 3.11Å; D527-D529 PolarHBondContact O-N 3.06Å | ||
| 528 | T | 33 | Very low | 27.9 | Very low | 44 Ų | 44 | 86.3 Ų | 86.3 | 27% | 0.27 | 52% | 0.517 | S | S | . | . | trans | -77.1 | 103.5 | -168.7 | 53.2 | 0 | 0 | 0 | 0 | 114 | R526 | R526-T528 HydrophobicContact CB-CG2 4.19Å; R526-T528 PolarHBondContact O-N 2.83Å | ||
| 529 | D | 32.8 | Very low | 27.8 | Very low | 85 Ų | 85 | 85 Ų | 85 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -74 | 133.3 | 144.1 | -94.7 | -44.3 | 0 | 0 | 0 | 108.6 | N230 D527 | N230-D529 PolarHBondContact ND2-OD1 2.65Å; N230-D529 PolarHBondContact ND2-OD2 2.86Å; N230-D529 VanDerWaalsContact ND2-OD2 3.17Å; D527-D529 PolarHBondContact O-N 3.06Å |
| 530 | S | 27.7 | Very low | 27.8 | Very low | 48 Ų | 48 | 87.1 Ų | 87.1 | 34% | 0.336 | 53% | 0.527 | S | S | . | . | S | Bend | trans | 67 | 124.3 | -166.6 | 79.7 | 0 | 0 | 0 | 0 | 115.4 | K149 | K149-S530 PolarHBondContact NZ-O 3.42Š|
| 531 | G | 25.3 | Very low | 27.8 | Very low | 33 Ų | 33 | 91 Ų | 91 | 34% | 0.34 | 54% | 0.542 | S | S | . | . | trans | -124.3 | -177 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 532 | T | 38.1 | Very low | 27.7 | Very low | 55 Ų | 55 | 94.9 Ų | 94.9 | 34% | 0.337 | 54% | 0.544 | S | S | . | . | trans | 59 | 159.4 | 175 | 62.2 | 0 | 0 | 0 | 0 | 117.1 | R138 | R138-T532 VanDerWaalsContact NH1-C 3.33Å; R138-T532 PolarHBondContact NH1-O 3.01Å | ||
| 533 | P | 28.9 | Very low | 27.8 | Very low | 51 Ų | 51 | 93 Ų | 93 | 33% | 0.331 | 54% | 0.541 | S | S | . | . | -118.9 | 173.7 | -52.9 | 35.6 | -24.4 | 0 | 0 | 0 | 111.5 | R138 L379 E380 | R138-P533 WeakPolarHBondContact CD-O 3.08Å; R138-P533 PolarHBondContact NE-O 2.71Å; R138-P533 VanDerWaalsContact NH1-C 3.34Å; R138-P533 PolarHBondContact NH1-O 3.48Å; L379-P533 HydrophobicContact CB-CB 4.34Å; L379-P533 HydrophobicContact CD2-CB 3.86Å; L379-P533 HydrophobicContact CG-CB 3.8Å; E380-P533 HydrophobicContact CG-CB 4.46Å; E380-P533 HydrophobicContact CG-CG 3.89Å | |||
| 534 | F | 24.9 | Very low | 27.7 | Very low | 43 Ų | 43 | 92.8 Ų | 92.8 | 19% | 0.189 | 55% | 0.549 | C | S | . | . | trans | -115.4 | 157.6 | -175.3 | -131.6 | -103.1 | 0 | 0 | 0 | 109.9 | N136 E156 L379 | N136-F534 HydrophobicContact CB-CD1 4.01Å; N136-F534 HydrophobicContact CB-CE1 3.42Å; N136-F534 VanDerWaalsContact CB-CE1 3.42Å; N136-F534 HydrophobicContact CB-CE2 4.38Å; N136-F534 HydrophobicContact CB-CZ 3.63Å; N136-F534 VanDerWaalsContact CG-CE1 3.44Å; N136-F534 WeakPolarHBondContact ND2-CE1 3.48Å; E156-F534 HydrophobicContact CG-CZ 4.46Å; E156-F534 WeakPolarHBondContact OE1-CE2 3.21Å; E156-F534 WeakPolarHBondContact OE1-CZ 3.48Å; L379-F534 HydrophobicContact CD2-CB 4.31Å | ||
| 535 | N | 24.5 | Very low | 27.6 | Very low | 98 Ų | 98 | 95.8 Ų | 95.8 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | trans | -158 | 139.6 | 168 | -140.6 | 14.5 | 0 | 0 | 0 | 111.8 | N136 E376 | N136-N535 PolarHBondContact OD1-O 3.32Å; E376-N535 PolarHBondContact OE1-ND2 2.99Å | ||
| 536 | S | 23.8 | Very low | 28.1 | Very low | 72 Ų | 72 | 99 Ų | 99 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | trans | -138.8 | 156.6 | -177.7 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | N136 | N136-S536 PolarHBondContact OD1-OG 2.62Å; N136-S536 VanDerWaalsContact OD1-OG 3.11Å | ||
| 537 | P | 25.5 | Very low | 27.6 | Very low | 129 Ų | 129 | 99.6 Ų | 99.6 | 84% | 0.838 | 59% | 0.59 | S | S | * | * | trans | -96.9 | 163 | -145.3 | 36.1 | -37.4 | 0 | 0 | 0 | 116.9 | ||||
| 538 | V | 24 | Very low | 27.3 | Very low | 143 Ų | 143 | 102.3 Ų | 102.3 | 87% | 0.867 | 61% | 0.613 | S | S | * | * | trans | -107.3 | 140 | 175.2 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 539 | S | 22.7 | Very low | 27.7 | Very low | 110 Ų | 110 | 105.6 Ų | 105.6 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | trans | -67.6 | 152.2 | -179.6 | -49.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 540 | T | 25.3 | Very low | 27.4 | Very low | 140 Ų | 140 | 107.4 Ų | 107.4 | 86% | 0.859 | 66% | 0.655 | S | S | * | * | trans | -105.3 | 139.7 | 169.4 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 541 | N | 24.1 | Very low | 27.3 | Very low | 159 Ų | 159 | 108.9 Ų | 108.9 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | trans | -85.1 | 158 | -175.8 | -62.6 | -48.7 | 0 | 0 | 0 | 113.1 | ||||
| 542 | K | 24.8 | Very low | 27.4 | Very low | 206 Ų | 206 | 116.5 Ų | 116.5 | 90% | 0.896 | 70% | 0.704 | S | S | * | * | trans | -144.6 | 152.9 | 148.2 | -106.3 | -175.8 | 179.1 | -178.6 | 0 | 111.4 | ||||
| 543 | P | 28.9 | Very low | 26.9 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | trans | -110.5 | 166.7 | -165.8 | 41 | -34.8 | 0 | 0 | 0 | 116.3 | ||||
| 544 | S | 24.1 | Very low | 26.8 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 60 | 110 | 146.8 | 58 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 545 | N | 24.1 | Very low | 27 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | -12.8 | 166.6 | 129.8 | -67.5 | 20 | 0 | 0 | 0 | 118.3 | |||||
| 546 | P | 40.9 | Very low | 27.1 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | cis | -118.9 | -174.6 | 11.5 | 44.2 | -30 | 0 | 0 | 0 | 113 | ||||
| 547 | D | 24.3 | Very low | 27.3 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | cis | -158.5 | -178.9 | 35.9 | -129.8 | -40 | 0 | 0 | 0 | 115.5 | ||||
| 548 | S | 25.6 | Very low | 27.3 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -107.7 | -171.8 | -173.5 | -46.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 549 | P | 42 | Very low | 27.4 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -141.5 | -165.9 | -2.3 | 44 | -24.9 | 0 | 0 | 0 | 116.2 | ||||
| 550 | S | 25.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 85.5 | 150 | 152.9 | 77.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 551 | G | 26.6 | Very low | 28.6 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 133.7 | 93.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 552 | E | 27.1 | Very low | 28.7 | Very low | 193 Ų | 193 | 133.8 Ų | 133.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -92.8 | 154.1 | -170 | -59.1 | -176.1 | 113.1 | 0 | 0 | 115.8 | ||||
| 553 | A | 26.6 | Very low | 28.8 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | 80.3 | 161.7 | 135.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 554 | E | 27.3 | Very low | 28.7 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 71.9 | 154.9 | 165.8 | -53 | -139.9 | 119.2 | 0 | 0 | 119.9 | ||||
| 555 | R | 28.6 | Very low | 29.1 | Very low | 204 Ų | 204 | 133.4 Ų | 133.4 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | -172.5 | 160.8 | -55.6 | -119.8 | -178.5 | 173.4 | 174.1 | -2.2 | 108.5 | |||||
| 556 | N | 27.9 | Very low | 29.1 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 59.4 | 110.8 | 157.4 | -58.7 | -0 | 0 | 0 | 0 | 117.5 | ||||
| 557 | S | 26.6 | Very low | 28.4 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | 76.6 | 127.3 | 61.4 | 75.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 558 | T | 26.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | 179.5 | 162.6 | 113.6 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 559 | E | 26.1 | Very low | 28.6 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -98 | -154.5 | -172.3 | -60.4 | -172.5 | 130.6 | 0 | 0 | 113.2 | ||||
| 560 | P | 45.8 | Very low | 27.9 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | -133.1 | -152.1 | -77.6 | 40.9 | -23.3 | 0 | 0 | 0 | 114.1 | |||||
| 561 | A | 27.3 | Very low | 27.9 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 89.3 | 152.6 | 163 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 562 | T | 26.1 | Very low | 28.1 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | cis | -145.7 | 173.7 | 8.4 | -27.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 563 | V | 27.9 | Very low | 28.3 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -99 | 143.4 | -176.1 | 175.4 | 0 | 0 | 0 | 0 | 113.2 | V565 | V563-V565 HydrophobicContact CG1-CG2 4.1Š| ||
| 564 | I | 26.4 | Very low | 28.3 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -136.6 | 150.3 | 154.1 | -61.8 | -175.8 | 0 | 0 | 0 | 108.9 | ||||
| 565 | V | 31.9 | Very low | 28.3 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -131.8 | 137.4 | -178.8 | 172.7 | 0 | 0 | 0 | 0 | 109.9 | V563 | V563-V565 HydrophobicContact CG1-CG2 4.1Š| ||
| 566 | E | 24.8 | Very low | 28.3 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -151 | -173.6 | 156.2 | -133.7 | 175.3 | -164.9 | 0 | 0 | 113.7 | ||||
| 567 | K | 25 | Very low | 28.1 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -126.5 | 153.2 | -139.8 | -171.3 | 177.8 | 175.7 | -175.1 | 0 | 115.8 | ||||
| 568 | L | 26.7 | Very low | 28.1 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -71.4 | 146.9 | -176.9 | -155.7 | 96.8 | 0 | 0 | 0 | 115.5 | ||||
| 569 | P | 27.4 | Very low | 28.3 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -106.6 | 161.9 | 154.7 | 37.3 | -30.1 | 0 | 0 | 0 | 113.1 | ||||
| 570 | S | 27.3 | Very low | 28.6 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -144.6 | 130.7 | -170.9 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 571 | V | 27.2 | Very low | 27.9 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -151.4 | 179.5 | 169.6 | -138.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 572 | P | 29.9 | Very low | 27.9 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | -98.4 | 174.3 | -115.7 | 41.9 | -28.4 | 0 | 0 | 0 | 115.6 | |||||
| 573 | P | 31.2 | Very low | 28 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 137.1 | -178.8 | 29.9 | -36.2 | 0 | 0 | 0 | 113.9 | ||
| 574 | A | 27 | Very low | 28.2 | Very low | 101 Ų | 101 | 136 Ų | 136 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 152.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 575 | Q | 27.2 | Very low | 28.1 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 160.4 | 178.3 | -68.9 | 172.4 | -23.8 | 0 | 0 | 111.8 | ||
| 576 | G | 28.2 | Very low | 28.1 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 141 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 577 | L | 25.1 | Very low | 28.2 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -100 | 134.3 | 176.2 | -72.1 | 170.6 | 0 | 0 | 0 | 111.4 | ||
| 578 | S | 25.2 | Very low | 28.9 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 143.2 | 171.2 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | P580 | S578-P580 VanDerWaalsContact O-CD 3.31Å; S578-P580 WeakPolarHBondContact O-CD 3.49Å |
| 579 | I | 31.6 | Very low | 28.9 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 119.6 | -179.4 | -56.6 | 171.2 | 0 | 0 | 0 | 110 | ||
| 580 | P | 31.6 | Very low | 29 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 139.3 | 171.7 | 32.6 | -32 | 0 | 0 | 0 | 110.7 | S578 | S578-P580 VanDerWaalsContact O-CD 3.31Å; S578-P580 WeakPolarHBondContact O-CD 3.49Å |
| 581 | V | 31.2 | Very low | 29 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76 | 129.3 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | G583 | V581-G583 PolarHBondContact O-N 3.49Š|
| 582 | I | 28.2 | Very low | 29 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -75.5 | 112.4 | 174.9 | -63.2 | 171.9 | 0 | 0 | 0 | 108.9 | ||||
| 583 | G | 27.9 | Very low | 28.9 | Very low | 64 Ų | 64 | 133.4 Ų | 133.4 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | trans | -118.1 | 142 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V581 | V581-G583 PolarHBondContact O-N 3.49Š| ||
| 584 | A | 30.9 | Very low | 28.6 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -66.3 | 140.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 585 | K | 25.1 | Very low | 28.5 | Very low | 192 Ų | 192 | 132.8 Ų | 132.8 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -99.2 | 136.7 | 160.2 | -90.1 | -168.6 | 169.4 | -166.3 | 0 | 109.6 | ||||
| 586 | V | 31.3 | Very low | 29 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -134.2 | 118.2 | 163.4 | -171.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 587 | D | 27.5 | Very low | 28.9 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -77.6 | 147.5 | 174.1 | -65.7 | -45.7 | 0 | 0 | 0 | 110.1 | ||||
| 588 | P | 38.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -130.4 | 132.8 | 134.2 | 35.4 | -27 | 0 | 0 | 0 | 112.1 | ||||
| 589 | T | 27.5 | Very low | 28.9 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -94.5 | 157.1 | 176.4 | -44.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 590 | V | 29.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | trans | 109.4 | 125.1 | 154.3 | -176.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 591 | K | 27.3 | Very low | 28.5 | Very low | 199 Ų | 199 | 128 Ų | 128 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | 76.9 | 120.3 | 161.3 | -79.6 | 162.7 | -169.7 | 176 | 0 | 119.8 | ||||
| 592 | A | 26.6 | Very low | 28.7 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -116 | 150 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 593 | V | 26.7 | Very low | 28.6 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -140.3 | 155.5 | 168.4 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 594 | S | 26.4 | Very low | 28.7 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -48.1 | 153.4 | -166.1 | 53 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 595 | S | 24.5 | Very low | 28.6 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -77.5 | -173.3 | 158.7 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 596 | P | 36.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | cis | -151.1 | -178.1 | 44.8 | 42.4 | -19.8 | 0 | 0 | 0 | 119.3 | ||||
| 597 | S | 27.4 | Very low | 28.4 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 76.9 | 151.8 | 158.6 | -44 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 598 | V | 25.4 | Very low | 28.4 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | cis | -139.6 | 160.1 | 12.2 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 599 | C | 24.5 | Very low | 28 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | trans | -27.7 | 168 | 159.6 | -102.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 600 | T | 27.1 | Very low | 28.2 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | cis | -154.1 | 167 | 13.8 | -22 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 601 | I | 28.8 | Very low | 28.2 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -88.7 | 160.9 | 158.8 | -29.3 | 179.5 | 0 | 0 | 0 | 109.8 | ||||
| 602 | P | 33.4 | Very low | 28.2 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | -141.2 | 164.7 | 108.3 | 38.5 | -26.2 | 0 | 0 | 0 | 115.8 | |||||
| 603 | T | 28 | Very low | 28.4 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -100.4 | 173.6 | -175.2 | -43.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 604 | V | 28.7 | Very low | 28.4 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 138.7 | 107.1 | 138.5 | 171.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 605 | V | 28.7 | Very low | 28.5 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 55.8 | 131.6 | 137.2 | 179 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 606 | G | 25.4 | Very low | 28.7 | Very low | 63 Ų | 63 | 134.6 Ų | 134.6 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | 153.4 | 96.7 | 124.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 607 | R | 27.7 | Very low | 28.4 | Very low | 252 Ų | 252 | 138.1 Ų | 138.1 | 95% | 0.951 | 78% | 0.781 | S | S | * | * | trans | 66.9 | 153.3 | 144 | -72.8 | -178 | 169.3 | 171.6 | -2.7 | 121.9 | ||||
| 608 | N | 28 | Very low | 28.7 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -85.1 | 160.9 | 172.9 | -48.5 | -43.1 | 0 | 0 | 0 | 112 | ||||
| 609 | V | 28.6 | Very low | 29.8 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | -173.7 | 152.8 | 127.3 | 139.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 610 | I | 31.8 | Very low | 30.2 | Very low | 153 Ų | 153 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -102.6 | 141.2 | 179 | -60.2 | 165.8 | 0 | 0 | 0 | 110.3 | ||||
| 611 | P | 31.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -121 | 167.3 | 143 | 1.5 | 20.4 | 0 | 0 | 0 | 113.4 | ||||
| 612 | R | 27.6 | Very low | 30.6 | Very low | 219 Ų | 219 | 138.2 Ų | 138.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -135.6 | 136.2 | -174.3 | -127.2 | -172.2 | 168.8 | -178.2 | -2.6 | 111.3 | ||||
| 613 | I | 30.2 | Very low | 30.7 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | trans | 60 | 118.8 | 147.9 | -61.1 | 160 | 0 | 0 | 0 | 120.2 | ||||
| 614 | T | 27.3 | Very low | 31.9 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | 179.3 | 159 | 144.1 | 34.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 615 | T | 28.5 | Very low | 32 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -170 | 167.1 | -31.1 | 26 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 616 | S | 27.3 | Very low | 32.3 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | cis | -157.4 | 168 | 1.7 | 25.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 617 | H | 30.3 | Very low | 32.6 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | -178.3 | 162.2 | 84.8 | -101.7 | -83.9 | 0 | 0 | 0 | 113.3 | |||||
| 618 | N | 33.3 | Very low | 32.7 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -126.3 | 168.5 | 173.1 | -135.2 | 19.7 | 0 | 0 | 0 | 108.2 | ||||
| 619 | P | 48.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | -156.4 | 175.5 | 103.4 | 40.2 | -21.6 | 0 | 0 | 0 | 117.6 | |||||
| 620 | V | 33.2 | Very low | 32.9 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | 75.2 | 143.5 | 168.8 | -177.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 621 | Q | 37.4 | Very low | 32.8 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | cis | -161 | 166.2 | -32.8 | -105 | 174.2 | -15.7 | 0 | 0 | 106.7 | ||||
| 622 | G | 26 | Very low | 32.8 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | cis | 157.8 | 120.1 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 623 | Q | 35.7 | Very low | 32.8 | Very low | 191 Ų | 191 | 129.5 Ų | 129.5 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | 72.7 | 160.5 | 152.5 | -77.8 | -163.5 | -19 | 0 | 0 | 121.8 | ||||
| 624 | P | 53.3 | Low | 32.9 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | cis | -141 | -175.3 | -26.1 | 32.3 | -10.9 | 0 | 0 | 0 | 116.8 | ||||
| 625 | H | 31.1 | Very low | 33.1 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 93.4 | 141 | 162.7 | -58.4 | -66.4 | 0 | 0 | 0 | 119.9 | ||||
| 626 | L | 34.7 | Very low | 33.1 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | cis | -167.4 | 145.8 | -30.9 | -118.2 | -175.2 | 0 | 0 | 0 | 110.5 | ||||
| 627 | N | 32.5 | Very low | 33.3 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 60.5 | 151.5 | 164.9 | -63.7 | -24.2 | 0 | 0 | 0 | 119.1 | ||||
| 628 | G | 28.8 | Very low | 34.4 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | cis | -169.9 | -172.5 | 0.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 629 | L | 31.3 | Very low | 34.1 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -49.8 | 162.5 | -177.3 | -88.8 | 75.6 | 0 | 0 | 0 | 116.7 | ||||
| 630 | S | 31 | Very low | 33.1 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | -172.4 | 162.1 | 8 | 41 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 631 | N | 29.6 | Very low | 32.9 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 77.9 | 127.4 | 139.4 | -73 | -6.8 | 0 | 0 | 0 | 125.3 | ||||
| 632 | I | 30.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 56.8 | 112.4 | 133.3 | -54.7 | 167.9 | 0 | 0 | 0 | 117.5 | ||||
| 633 | S | 28.9 | Very low | 32.8 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | 84.3 | 100.1 | 36.3 | -163.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 634 | K | 31.4 | Very low | 33.5 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | 177.4 | 163.5 | 115.6 | -95.1 | 170.8 | -174.1 | 177.9 | 0 | 114.3 | |||||
| 635 | N | 31.7 | Very low | 33.2 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -86.6 | 170.1 | -174.9 | -49.5 | -25.7 | 0 | 0 | 0 | 113.1 | ||||
| 636 | V | 28.6 | Very low | 33.2 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | -177.9 | 144.2 | 123.8 | 142.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 637 | T | 32.3 | Very low | 33.1 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -141 | 177.4 | 160.9 | 56.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 638 | P | 53 | Low | 32.8 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | cis | -136.4 | -171.7 | 2.9 | 44.3 | -27.3 | 0 | 0 | 0 | 114.9 | ||||
| 639 | K | 25.5 | Very low | 32.7 | Very low | 215 Ų | 215 | 138.4 Ų | 138.4 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | trans | -162.9 | -176.5 | 146.7 | -112.1 | 165.5 | -173.4 | 178.5 | 0 | 112.7 | ||||
| 640 | R | 29.8 | Very low | 32.6 | Very low | 235 Ų | 235 | 135 Ų | 135 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -141.8 | 153.4 | -146.9 | -149.8 | -165.2 | -172.2 | 176.6 | 2.2 | 115.1 | ||||
| 641 | S | 28.3 | Very low | 32.5 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 58% | 0.58 | 78% | 0.778 | S | S | * | * | trans | 91.4 | 142.1 | 134.4 | 74.6 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 642 | H | 28.6 | Very low | 32.5 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 87.5 | 146.8 | 150.7 | -62.4 | -57.5 | 0 | 0 | 0 | 123.6 | ||||
| 643 | S | 32 | Very low | 32.4 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -120.9 | 179.2 | -179.7 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 644 | P | 49.8 | Very low | 32.4 | Very low | 119 Ų | 119 | 150 Ų | 150 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | -130.8 | -122.8 | 52.5 | 41.5 | -19.7 | 0 | 0 | 0 | 112 | |||||
| 645 | P | 47.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -115.1 | -143.1 | 0.2 | 44.6 | -29.2 | 0 | 0 | 0 | 114.9 | ||||
| 646 | T | 32.2 | Very low | 32.1 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | trans | -152.1 | -179.2 | -157.3 | 49.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 647 | D | 31.1 | Very low | 32.1 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 85 | 147.4 | 157 | -56.3 | -52.7 | 0 | 0 | 0 | 121.6 | ||||
| 648 | G | 26.8 | Very low | 31.8 | Very low | 58 Ų | 58 | 148 Ų | 148 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | cis | 174.3 | 141.1 | -11.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 649 | T | 27.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 153 Ų | 153 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 71.5 | 133.3 | 156.7 | 77.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 650 | S | 28.3 | Very low | 30.7 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | 141.5 | 124 | 120.6 | -74.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 651 | K | 29.9 | Very low | 30.5 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | 68.1 | 128.1 | 142.6 | -64.8 | 175.7 | -178.1 | 171.5 | 0 | 124.3 | ||||
| 652 | R | 28.5 | Very low | 30.4 | Very low | 242 Ų | 242 | 150.8 Ų | 150.8 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -9.1 | 140.7 | 154.5 | -73.7 | 176.7 | 166.9 | 176.5 | -3.8 | 120.9 | ||||
| 653 | L | 29.3 | Very low | 30.3 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | -170.5 | 122.5 | 120.8 | -93.2 | 162 | 0 | 0 | 0 | 107.3 | |||||
| 654 | K | 28.9 | Very low | 30.1 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | 57.1 | 116.6 | 93.7 | -88.9 | -153.5 | 166.2 | -158.5 | 0 | 118 | |||||
| 655 | D | 27.7 | Very low | 29 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 30.8 | 124.7 | 138.4 | -37.6 | -39 | 0 | 0 | 0 | 120.7 | ||||
| 656 | I | 28.7 | Very low | 28 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | -151.8 | 149.9 | 132.8 | -110.1 | 158.9 | 0 | 0 | 0 | 110.2 | ||||
| 657 | E | 27.9 | Very low | 28 | Very low | 137 Ų | 137 | 156.8 Ų | 156.8 | 64% | 0.64 | 79% | 0.785 | S | S | * | * | trans | -113.7 | 162.4 | -171.4 | -154.4 | -154 | 156.8 | 0 | 0 | 110.7 | ||||
| 658 | K | 27.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 154.7 Ų | 154.7 | 58% | 0.583 | 77% | 0.774 | S | S | * | * | trans | 58.7 | 126.7 | 163.6 | -68.4 | 159.6 | 176.7 | 125.6 | 0 | 118.1 | ||||
| 659 | F | 25.6 | Very low | 27.9 | Very low | 220 Ų | 220 | 156.9 Ų | 156.9 | 97% | 0.965 | 78% | 0.78 | S | S | * | * | -132.5 | 149.3 | 124.3 | -122.8 | -86.6 | 0 | 0 | 0 | 110.3 | |||||
| 660 | I | 30.1 | Very low | 27.9 | Very low | 117 Ų | 117 | 159 Ų | 159 | 60% | 0.6 | 78% | 0.78 | S | S | * | * | trans | -126.7 | 126.5 | -167.1 | -76.7 | 179.1 | 0 | 0 | 0 | 109.9 | ||||
| 661 | R | 25.5 | Very low | 27.9 | Very low | 222 Ų | 222 | 158.6 Ų | 158.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 18.3 | 108.1 | 139.2 | 178.4 | -141.2 | -146.9 | 161.4 | 7.7 | 117.9 | ||||
| 662 | L | 26.2 | Very low | 27.9 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | -170.2 | 144.4 | 126.7 | -130.8 | 60.1 | 0 | 0 | 0 | 106.4 | |||||
| 663 | E | 25.3 | Very low | 27.8 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | -164.9 | 169.7 | 58 | -122.1 | 173.5 | -171.6 | 0 | 0 | 113 | |||||
| 664 | S | 27 | Very low | 27.8 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -150.2 | 119.2 | 178.6 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 665 | A | 27.8 | Very low | 27.8 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -170.8 | 130.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 666 | F | 26.9 | Very low | 27.9 | Very low | 214 Ų | 214 | 151.5 Ų | 151.5 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | -154.5 | 139 | 116.8 | -110.1 | -74.2 | 0 | 0 | 0 | 110.2 | |||||
| 667 | K | 31.8 | Very low | 27.9 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 74% | 0.735 | 76% | 0.761 | S | S | * | * | trans | -103.6 | 169.1 | 176.7 | -91.7 | 173.1 | 151.4 | -86 | 0 | 107.9 | ||||
| 668 | D | 29.9 | Very low | 27.9 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | cis | -165.5 | -176.5 | -0.4 | -115.2 | -23.2 | 0 | 0 | 0 | 107.8 | ||||
| 669 | S | 26.7 | Very low | 27.9 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | 90.6 | 141.5 | 157.8 | -46.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 670 | Q | 27.6 | Very low | 28 | Very low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | cis | -154.8 | 168.9 | -5.5 | -124.7 | 175.9 | 12.9 | 0 | 0 | 113.9 | ||||
| 671 | A | 28 | Very low | 28 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -23.6 | 168.3 | 162 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 672 | A | 28.8 | Very low | 28.2 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | cis | -176.9 | -167.9 | -19.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 673 | E | 27.3 | Very low | 28.4 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | 95.8 | 94.8 | 165.6 | -58.2 | -143.9 | 126.1 | 0 | 0 | 121.5 | ||||
| 674 | D | 28.9 | Very low | 28.4 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | 31.6 | 120.3 | 113 | -161.6 | 40 | 0 | 0 | 0 | 121.3 | |||||
| 675 | R | 29 | Very low | 28.3 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | 172 | 121.5 | 112 | -91.3 | 171.8 | -171 | -167.6 | 7 | 117.8 | |||||
| 676 | K | 29.3 | Very low | 28.3 | Very low | 161 Ų | 161 | 145 Ų | 145 | 70% | 0.7 | 78% | 0.777 | S | S | * | * | trans | 28.2 | 128 | 131.8 | -74.6 | 166.4 | -177 | 151.8 | 0 | 123.5 | ||||
| 677 | R | 28.3 | Very low | 28.2 | Very low | 220 Ų | 220 | 140.8 Ų | 140.8 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | 93.7 | 117.8 | 125.8 | -78 | 175.9 | 177 | -178.3 | -1.5 | 123.3 | |||||
| 678 | K | 28 | Very low | 27.9 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | 69.8 | 110.7 | 125.5 | -86.2 | -161 | 171.1 | -162.7 | 0 | 123.8 | |||||
| 679 | S | 27.4 | Very low | 28.4 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | 71.8 | 134.3 | 116.1 | 70.7 | 0 | 0 | 0 | 0 | 125 | |||||
| 680 | M | 29.1 | Very low | 28.5 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | 106.1 | 136.9 | 140.8 | -81.7 | 171.2 | 71.8 | 0 | 0 | 122 | ||||
| 681 | D | 29.8 | Very low | 28.5 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 73.2 | 108.2 | 146.6 | -57.6 | -0.8 | 0 | 0 | 0 | 125 | ||||
| 682 | A | 28.8 | Very low | 28.5 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | -9.4 | 154.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 683 | I | 29.8 | Very low | 28.5 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | -167.5 | 155.5 | 115 | -96.2 | 156 | 0 | 0 | 0 | 109.7 | |||||
| 684 | G | 25.5 | Very low | 28.3 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -99 | -171.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 685 | G | 25.4 | Very low | 28.3 | Very low | 83 Ų | 83 | 141.2 Ų | 141.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -173.5 | 139.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 686 | E | 27.1 | Very low | 28.2 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -107.9 | 157.3 | -166 | -57.8 | 176.3 | 110 | 0 | 0 | 114.1 | ||||
| 687 | S | 24.7 | Very low | 28.1 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -172.5 | 145.2 | 133 | 25.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 688 | M | 27.2 | Very low | 28 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -138.4 | 177.9 | 172.8 | -84.5 | -91.1 | -79.9 | 0 | 0 | 106 | I690 | M688-I690 HydrophobicContact CE-CD1 4.05Å; M688-I690 HydrophobicContact CE-CG1 3.98Å | ||
| 689 | P | 39.1 | Very low | 28 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | cis | -139.1 | 163.4 | 11.2 | 38.4 | -18 | 0 | 0 | 0 | 118.3 | ||||
| 690 | I | 28.4 | Very low | 27.9 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 58% | 0.579 | 80% | 0.8 | S | S | * | * | 25.7 | 132.5 | 129.2 | -33.8 | 161.9 | 0 | 0 | 0 | 119.1 | M688 T692 | M688-I690 HydrophobicContact CE-CD1 4.05Å; M688-I690 HydrophobicContact CE-CG1 3.98Å; I690-T692 HydrophobicContact CG2-CG2 3.88Å | |||
| 691 | P | 29.2 | Very low | 27.9 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | -121.3 | 150.6 | 102.8 | -5.6 | 25.5 | 0 | 0 | 0 | 114.9 | |||||
| 692 | T | 26.6 | Very low | 27.7 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | -101.5 | 164.3 | 175.8 | 40.3 | 0 | 0 | 0 | 0 | 112.8 | I690 | I690-T692 HydrophobicContact CG2-CG2 3.88Š| ||
| 693 | I | 28.9 | Very low | 27.6 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -160.3 | 149.2 | 133.9 | -102.7 | 153.7 | 0 | 0 | 0 | 109.7 | ||||
| 694 | D | 24.7 | Very low | 27.6 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -111.2 | 154.6 | -173 | 172.9 | 27.3 | 0 | 0 | 0 | 111.7 | S696 | D694-S696 PolarHBondContact OD1-N 3Š| ||
| 695 | T | 27.5 | Very low | 27.9 | Very low | 131 Ų | 131 | 152.7 Ų | 152.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -161.5 | 65.6 | 150.3 | 3.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 696 | S | 26.5 | Very low | 28.2 | Very low | 77 Ų | 77 | 157 Ų | 157 | 54% | 0.538 | 80% | 0.804 | S | S | . | * | trans | 44.6 | 120.1 | 134 | 70.8 | 0 | 0 | 0 | 0 | 122.7 | D694 | D694-S696 PolarHBondContact OD1-N 3Š| ||
| 697 | R | 27.4 | Very low | 28.4 | Very low | 239 Ų | 239 | 153 Ų | 153 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 64.7 | 120.2 | 136 | -64.9 | 176.4 | 172.2 | 175.2 | 0.4 | 121.4 | ||||
| 698 | K | 27.4 | Very low | 28.9 | Very low | 216 Ų | 216 | 155.1 Ų | 155.1 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | -148.9 | 151.9 | 110.8 | -111.3 | 164.3 | -172.9 | 171.7 | 0 | 111.3 | |||||
| 699 | K | 26.9 | Very low | 29.2 | Very low | 214 Ų | 214 | 151.8 Ų | 151.8 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -82.6 | 145.3 | -167.4 | -63.3 | 177.6 | 177.8 | 179.2 | 0 | 112.6 | ||||
| 700 | R | 26.5 | Very low | 28.9 | Very low | 248 Ų | 248 | 152.4 Ų | 152.4 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -119.8 | 150.4 | 158.2 | -154.4 | 172.8 | -170.7 | 176.2 | 2.1 | 108.8 | ||||
| 701 | L | 28.1 | Very low | 29 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 144.1 | -173.1 | -65.3 | 164.4 | 0 | 0 | 0 | 111.6 | ||
| 702 | P | 26.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 129.2 | 177.5 | 30.9 | -33.4 | 0 | 0 | 0 | 111.7 | ||
| 703 | S | 27 | Very low | 29.5 | Very low | 89 Ų | 89 | 152.4 Ų | 152.4 | 62% | 0.622 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 132 | 163.5 | 39.4 | 0 | 0 | 0 | 0 | 109.8 | E705 | S703-E705 PolarHBondContact O-N 3.01Å; S703-E705 VanDerWaalsContact O-N 3.08Å |
| 704 | K | 29.6 | Very low | 29.7 | Very low | 217 Ų | 217 | 150 Ų | 150 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -82.7 | 69.6 | 167.4 | -82 | -166.8 | 174.5 | -175.1 | 0 | 110.1 | ||||
| 705 | E | 31 | Very low | 30.2 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 137.3 | 162.8 | -70 | 175 | 155 | 0 | 0 | 108.1 | S703 | S703-E705 PolarHBondContact O-N 3.01Å; S703-E705 VanDerWaalsContact O-N 3.08Å |
| 706 | L | 32.7 | Very low | 30.6 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 129.8 | 178.4 | -73.2 | 166.6 | 0 | 0 | 0 | 108.8 | ||
| 707 | P | 31.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 154.7 | 174.9 | 31.2 | -34.9 | 0 | 0 | 0 | 111.4 | ||
| 708 | D | 34.6 | Very low | 31.7 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 136.5 | 167.6 | -96.3 | -51.9 | 0 | 0 | 0 | 111.2 | ||
| 709 | S | 33 | Very low | 32.1 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | trans | -124.5 | 57.5 | -173.8 | 77.8 | 0 | 0 | 0 | 0 | 112.8 | S711 | S709-S711 PolarHBondContact O-N 2.69Š| ||
| 710 | S | 32.6 | Very low | 33 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -77.8 | 58.9 | 172 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 711 | S | 30.3 | Very low | 34.1 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -160.9 | 131.6 | 170.7 | -82 | 0 | 0 | 0 | 0 | 111.4 | S709 | S709-S711 PolarHBondContact O-N 2.69Š|
| 712 | P | 33.3 | Very low | 35.1 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 121.2 | 177.7 | 32.6 | -32.1 | 0 | 0 | 0 | 112 | ||
| 713 | V | 33.4 | Very low | 36.6 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 131.9 | 163.3 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | A715 | V713-A715 PolarHBondContact O-N 3.16Š|
| 714 | P | 33.2 | Very low | 38.5 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122.3 | -178.3 | -19.9 | 32.4 | 0 | 0 | 0 | 112.3 | ||
| 715 | A | 35.2 | Very low | 40.7 | Very low | 92 Ų | 92 | 116 Ų | 116 | 76% | 0.76 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 125.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.4 | V713 | V713-A715 PolarHBondContact O-N 3.16Š|
| 716 | S | 36.8 | Very low | 42.9 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 152.5 | -178.9 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | I718 | S716-I718 PolarHBondContact O-N 2.76Š|
| 717 | N | 35.4 | Very low | 45.2 | Very low | 167 Ų | 167 | 109.8 Ų | 109.8 | 89% | 0.893 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 66.3 | 16.5 | 160.9 | -60.4 | -4.4 | 0 | 0 | 0 | 119.7 | ||
| 718 | I | 40.1 | Very low | 47.1 | Very low | 79 Ų | 79 | 108 Ų | 108 | 41% | 0.405 | 61% | 0.608 | S | S | . | * | trans | -112.7 | 120.1 | 162.5 | -59.8 | 175.4 | 0 | 0 | 0 | 109.9 | N463 L468 S716 V720 | N463-I718 WeakPolarHBondContact ND2-CD1 3.47Å; L468-I718 HydrophobicContact CD2-CD1 3.71Å; S716-I718 PolarHBondContact O-N 2.76Å; I718-V720 VanDerWaalsContact C-N 3.31Å; I718-V720 HydrophobicContact CG2-CG2 4.19Å; I718-V720 PolarHBondContact O-N 3.37Å | ||
| 719 | R | 37.3 | Very low | 48.6 | Very low | 245 Ų | 245 | 101.6 Ų | 101.6 | 93% | 0.925 | 57% | 0.574 | S | S | * | * | trans | -75.4 | 80.7 | 170.8 | -80.6 | -170.4 | 174.9 | -170.7 | 0.7 | 110.4 | I721 | R719-I721 PolarHBondContact O-N 2.92Š| ||
| 720 | V | 44.5 | Very low | 50 | Low | 41 Ų | 41 | 103.4 Ų | 103.4 | 25% | 0.248 | 58% | 0.576 | C | S | . | * | trans | -63.6 | 123.9 | 166.6 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | Q452 T455 Y459 I718 K722 | Q452-V720 VanDerWaalsContact NE2-CG1 3.33Å; T455-V720 HydrophobicContact CG2-CG1 3.76Å; Y459-V720 HydrophobicContact CD2-CG1 4.29Å; Y459-V720 HydrophobicContact CD2-CG2 4.19Å; Y459-V720 HydrophobicContact CE2-CG1 4.11Å; Y459-V720 HydrophobicContact CE2-CG2 4.49Å; I718-V720 VanDerWaalsContact C-N 3.31Å; I718-V720 HydrophobicContact CG2-CG2 4.19Å; I718-V720 PolarHBondContact O-N 3.37Å; V720-K722 PolarHBondContact O-N 3.21Å | ||
| 721 | I | 50.2 | Low | 50.9 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 46% | 0.462 | 58% | 0.576 | S | S | . | * | trans | -71.7 | 116.6 | 179.6 | -53.5 | 177.9 | 0 | 0 | 0 | 108.3 | R719 N723 | R719-I721 PolarHBondContact O-N 2.92Å; I721-N723 VanDerWaalsContact C-N 3.28Å; I721-N723 WeakPolarHBondContact CG2-OD1 3.4Å; I721-N723 PolarHBondContact O-N 3.48Å | ||
| 722 | K | 49.9 | Very low | 52 | Low | 178 Ų | 178 | 108.6 Ų | 108.6 | 77% | 0.774 | 57% | 0.57 | S | S | * | * | trans | -75.3 | 77.9 | 178.4 | -70.4 | -172.8 | 175.3 | -176.9 | 0 | 111.1 | V720 S724 | V720-K722 PolarHBondContact O-N 3.21Å; K722-S724 PolarHBondContact O-N 2.86Å; K722-S724 VanDerWaalsContact O-N 3.16Å | ||
| 723 | N | 57.3 | Low | 53 | Low | 48 Ų | 48 | 107.4 Ų | 107.4 | 26% | 0.257 | 56% | 0.556 | S | S | . | * | trans | -73.1 | 101 | 177.9 | -74 | -25.8 | 0 | 0 | 0 | 110.6 | I721 | I721-N723 VanDerWaalsContact C-N 3.28Å; I721-N723 WeakPolarHBondContact CG2-OD1 3.4Å; I721-N723 PolarHBondContact O-N 3.48Å | ||
| 724 | S | 66.7 | Low | 54 | Low | 83 Ų | 83 | 106 Ų | 106 | 58% | 0.58 | 54% | 0.542 | S | S | * | . | trans | -83.3 | 125.9 | 176.6 | 56.5 | 0 | 0 | 0 | 0 | 112 | T448 K722 | T448-S724 WeakPolarHBondContact OG1-CA 3.4Å; T448-S724 WeakPolarHBondContact OG1-CB 3.41Å; K722-S724 PolarHBondContact O-N 2.86Å; K722-S724 VanDerWaalsContact O-N 3.16Å | ||
| 725 | I | 76.4 | Confident | 55.3 | Low | 12 Ų | 12 | 104.9 Ų | 104.9 | 6% | 0.062 | 53% | 0.526 | C | S | . | . | trans | -114.7 | 90 | 179.3 | -58.5 | -169.1 | 0 | 0 | 0 | 108.7 | L447 T448 I451 H478 L727 | L447-I725 HydrophobicContact CB-CB 4.2Å; L447-I725 HydrophobicContact CB-CG2 4.13Å; L447-I725 HydrophobicContact CD1-CG2 4.43Å; L447-I725 PolarHBondContact N-O 3.21Å; T448-I725 PolarHBondContact OG1-N 2.86Å; I451-I725 HydrophobicContact CD1-CD1 4.19Å; I451-I725 HydrophobicContact CG1-CD1 4.01Å; I451-I725 HydrophobicContact CG2-CD1 4.41Å; H478-I725 HydrophobicContact CB-CG2 3.68Å; I725-L727 HydrophobicContact CG2-CD1 4.12Å; I725-L727 HydrophobicContact CG2-CD2 3.93Å; I725-L727 HydrophobicContact CG2-CG 3.97Å | ||
| 726 | R | 77.4 | Confident | 56.5 | Low | 189 Ų | 189 | 105.8 Ų | 105.8 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.3 | 177 | -71.6 | 178.9 | 172 | 178.8 | -4.7 | 110.7 | D446 | D446-R726 HydrophobicContact CB-CG 4.24Å; D446-R726 IonicContact OD2-CZ 3.63Å; D446-R726 VanDerWaalsContact OD2-CZ 3.28Å; D446-R726 IonicContact OD2-NE 3.78Å; D446-R726 PolarHBondContact OD2-NE 3.34Å; D446-R726 IonicContact OD2-NH2 3.79Å; D446-R726 PolarHBondContact OD2-NH2 2.88Å |
| 727 | L | 79.3 | Confident | 57.8 | Low | 14 Ų | 14 | 106.3 Ų | 106.3 | 7% | 0.073 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 113.1 | -167.1 | -54 | 179.2 | 0 | 0 | 0 | 110.6 | F434 N444 I445 L447 H478 I725 | F434-L727 HydrophobicContact CZ-CD1 3.8Å; N444-L727 WeakPolarHBondContact CA-O 3.39Å; I445-L727 HydrophobicContact CB-CB 4.49Å; I445-L727 PolarHBondContact N-O 2.93Å; I445-L727 PolarHBondContact O-N 2.84Å; L447-L727 HydrophobicContact CD1-CD1 3.81Å; L447-L727 HydrophobicContact CG-CD1 4.35Å; H478-L727 HydrophobicContact CB-CD1 4.39Å; H478-L727 HydrophobicContact CB-CD2 3.82Å; H478-L727 VanDerWaalsContact CD2-CD1 3.47Å; H478-L727 WeakPolarHBondContact CD2-CD1 3.29Å; H478-L727 VanDerWaalsContact ND1-CD2 3.34Å; H478-L727 WeakPolarHBondContact ND1-CD2 3.38Å; I725-L727 HydrophobicContact CG2-CD1 4.12Å; I725-L727 HydrophobicContact CG2-CD2 3.93Å; I725-L727 HydrophobicContact CG2-CG 3.97Å |
| 728 | T | 72.1 | Confident | 59.4 | Low | 73 Ų | 73 | 101.9 Ų | 101.9 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.4 | 165.5 | -42.1 | 0 | 0 | 0 | 0 | 109.3 | V443 N444 N730 | V443-T728 WeakPolarHBondContact O-CA 3.4Å; N444-T728 WeakPolarHBondContact OD1-CB 3.45Å; N444-T728 WeakPolarHBondContact OD1-CG2 2.95Å; N444-T728 PolarHBondContact OD1-OG1 3.29Å; T728-N730 VanDerWaalsContact CG2-OD1 3.24Å; T728-N730 WeakPolarHBondContact CG2-OD1 3.46Å |
| 729 | L | 67.1 | Low | 60.9 | Low | 34 Ų | 34 | 103.7 Ų | 103.7 | 18% | 0.178 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 95.5 | 169.4 | -63.5 | -169.7 | 0 | 0 | 0 | 109.9 | F434 G442 V443 I445 | F434-L729 HydrophobicContact CB-CD1 3.61Å; F434-L729 HydrophobicContact CD1-CD1 4.18Å; F434-L729 HydrophobicContact CD2-CD1 3.62Å; F434-L729 HydrophobicContact CD2-CD2 4.04Å; F434-L729 HydrophobicContact CD2-CG 4.44Å; F434-L729 HydrophobicContact CE2-CD1 4.3Å; F434-L729 HydrophobicContact CE2-CD2 4.1Å; F434-L729 HydrophobicContact CG-CD1 3.55Å; G442-L729 VanDerWaalsContact CA-O 3.3Å; G442-L729 WeakPolarHBondContact CA-O 3.41Å; V443-L729 PolarHBondContact N-O 3.11Å; V443-L729 PolarHBondContact O-N 2.78Å; I445-L729 HydrophobicContact CD1-CD1 3.42Å; I445-L729 VanDerWaalsContact CD1-CD1 3.42Å; I445-L729 HydrophobicContact CD1-CG 3.91Å |
| 730 | N | 61.5 | Low | 62.9 | Low | 124 Ų | 124 | 91.9 Ų | 91.9 | 66% | 0.663 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 153 | 163.2 | -56.8 | 10.8 | 0 | 0 | 0 | 108.8 | T728 | T728-N730 VanDerWaalsContact CG2-OD1 3.24Å; T728-N730 WeakPolarHBondContact CG2-OD1 3.46Å |
| 731 | R | 52.3 | Low | 64.6 | Low | 217 Ų | 217 | 96.5 Ų | 96.5 | 82% | 0.819 | 46% | 0.457 | S | S | * | . | trans | -58.9 | 0 | -177.7 | -67 | -173.5 | 175.4 | -178.7 | 3.8 | 114.1 | A440 | A440-R731 VanDerWaalsContact O-CZ 3.22Å; A440-R731 PolarHBondContact O-NE 3.25Å; A440-R731 PolarHBondContact O-NH2 2.7Å |
Retrieved 731 of 731 residues in 243 ms
(Link to these results)