| 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 | 56.7 | Low | 82.5 | Confident | 219 Ų | 219 | 131.5 Ų | 131.5 | 100% | 1.079 | 63% | 0.629 | S | S | * | * | 0 | -30.9 | 0 | -97.3 | -160.1 | 174.9 | 0 | 0 | 115.5 | |||||
| 2 | N | 72.1 | Confident | 83.5 | Confident | 119 Ų | 119 | 125.1 Ų | 125.1 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.6 | -28.3 | -171.6 | -68.4 | -28.8 | 0 | 0 | 0 | 115.8 | R5 V6 | N2-R5 PolarHBondContact O-N 3.48Å; N2-V6 PolarHBondContact O-N 3.33Å |
| 3 | T | 75.9 | Confident | 84.2 | Confident | 110 Ų | 110 | 123.9 Ų | 123.9 | 68% | 0.675 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -45.5 | -176.2 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | R5 V6 Q7 | T3-R5 PolarHBondContact O-N 3.43Å; T3-V6 PolarHBondContact O-N 3Å; T3-V6 VanDerWaalsContact O-N 3.17Å; T3-Q7 PolarHBondContact O-N 2.97Å |
| 4 | S | 83.1 | Confident | 84.8 | Confident | 61 Ų | 61 | 125.4 Ų | 125.4 | 43% | 0.427 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.4 | -26.3 | 178 | -46 | 0 | 0 | 0 | 0 | 113.1 | R8 | S4-R8 WeakPolarHBondContact O-CG 3.36Å; S4-R8 PolarHBondContact O-N 3.41Å; S4-R8 PolarHBondContact O-NE 2.74Å |
| 5 | R | 86.1 | Confident | 85.5 | Confident | 158 Ų | 158 | 122 Ų | 122 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.5 | -40 | 175.6 | -161.1 | 174.8 | 78.3 | 179.9 | 4.5 | 111.2 | N2 T3 K9 | N2-R5 PolarHBondContact O-N 3.48Å; T3-R5 PolarHBondContact O-N 3.43Å; R5-K9 WeakPolarHBondContact O-CG 3.49Å; R5-K9 PolarHBondContact O-N 3.43Å; R5-K9 VanDerWaalsContact O-N 3.09Å |
| 6 | V | 85.8 | Confident | 86.2 | Confident | 79 Ų | 79 | 124.6 Ų | 124.6 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.2 | -42.5 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 111 | N2 T3 K9 K10 | N2-V6 PolarHBondContact O-N 3.33Å; T3-V6 PolarHBondContact O-N 3Å; T3-V6 VanDerWaalsContact O-N 3.17Å; V6-K9 PolarHBondContact O-N 3.46Å; V6-K10 PolarHBondContact O-N 3.27Å |
| 7 | Q | 86.1 | Confident | 86.6 | Confident | 123 Ų | 123 | 124.9 Ų | 124.9 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.5 | -42.1 | 179.4 | -162.9 | 169.9 | 2.2 | 0 | 0 | 112.1 | T3 K9 K10 Q11 | T3-Q7 PolarHBondContact O-N 2.97Å; Q7-K9 PolarHBondContact O-N 3.41Å; Q7-K10 PolarHBondContact O-N 2.92Å; Q7-Q11 WeakPolarHBondContact O-CG 3.29Å; Q7-Q11 PolarHBondContact O-N 3.01Å |
| 8 | R | 89.5 | Confident | 87 | Confident | 175 Ų | 175 | 121.6 Ų | 121.6 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.2 | -40.4 | 172.4 | -79.1 | -172.1 | -88.9 | -163.5 | -4.6 | 112.7 | S4 Q11 A12 | S4-R8 WeakPolarHBondContact O-CG 3.36Å; S4-R8 PolarHBondContact O-N 3.41Å; S4-R8 PolarHBondContact O-NE 2.74Å; R8-Q11 PolarHBondContact O-N 3.39Å; R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.15Å |
| 9 | K | 91 | Very high | 87.4 | Confident | 133 Ų | 133 | 122.9 Ų | 122.9 | 58% | 0.578 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63 | -43.7 | 174.2 | -77 | -172.7 | 174.9 | -168.4 | 0 | 112.1 | R5 V6 Q7 A12 I13 | R5-K9 WeakPolarHBondContact O-CG 3.49Å; R5-K9 PolarHBondContact O-N 3.43Å; R5-K9 VanDerWaalsContact O-N 3.09Å; V6-K9 PolarHBondContact O-N 3.46Å; Q7-K9 PolarHBondContact O-N 3.41Å; K9-A12 PolarHBondContact O-N 3.37Å; K9-I13 VanDerWaalsContact O-CG1 3.31Å; K9-I13 WeakPolarHBondContact O-CG1 3.28Å; K9-I13 PolarHBondContact O-N 3.34Å |
| 10 | K | 90.7 | Very high | 87.8 | Confident | 151 Ų | 151 | 118.6 Ų | 118.6 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.8 | -47 | 176.2 | -74.6 | -172.4 | 174.9 | -172.5 | 0 | 112 | V6 Q7 A12 I13 Y14 | V6-K10 PolarHBondContact O-N 3.27Å; Q7-K10 PolarHBondContact O-N 2.92Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 3.28Å; K10-I13 PolarHBondContact O-N 2.79Å; K10-Y14 PolarHBondContact O-N 3.37Å |
| 11 | Q | 90.8 | Very high | 88 | Confident | 119 Ų | 119 | 118.3 Ų | 118.3 | 56% | 0.556 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60 | -41.4 | 175.8 | -75.2 | 177.6 | -19.5 | 0 | 0 | 111.8 | Q7 R8 I13 Y14 V15 | Q7-Q11 WeakPolarHBondContact O-CG 3.29Å; Q7-Q11 PolarHBondContact O-N 3.01Å; R8-Q11 PolarHBondContact O-N 3.39Å; Q11-I13 PolarHBondContact O-N 2.66Å; Q11-Y14 PolarHBondContact O-N 2.96Å; Q11-V15 WeakPolarHBondContact O-CG2 3.23Å; Q11-V15 PolarHBondContact O-N 3.43Å |
| 12 | A | 93.6 | Very high | 89.9 | Confident | 54 Ų | 54 | 111.9 Ų | 111.9 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R8 K9 K10 K16 | R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.15Å; K9-A12 PolarHBondContact O-N 3.37Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 3.28Å; A12-K16 WeakPolarHBondContact O-CG 3.39Å; A12-K16 PolarHBondContact O-N 2.89Å |
| 13 | I | 92.7 | Very high | 90.9 | Very high | 110 Ų | 110 | 109 Ų | 109 | 56% | 0.564 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.3 | -48 | 174.7 | -67.1 | 163.4 | 0 | 0 | 0 | 110.1 | K9 K10 Q11 V15 K16 E17 | K9-I13 VanDerWaalsContact O-CG1 3.31Å; K9-I13 WeakPolarHBondContact O-CG1 3.28Å; K9-I13 PolarHBondContact O-N 3.34Å; K10-I13 PolarHBondContact O-N 2.79Å; Q11-I13 PolarHBondContact O-N 2.66Å; I13-V15 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 2.91Å; I13-K16 WeakPolarHBondContact O-CB 3.5Å; I13-K16 PolarHBondContact O-N 3.17Å; I13-K16 VanDerWaalsContact O-N 3.07Å; I13-E17 PolarHBondContact O-N 3.43Å |
| 14 | Y | 93.3 | Very high | 91.7 | Very high | 144 Ų | 144 | 107.2 Ų | 107.2 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.3 | -42.1 | -179.9 | -171.2 | -109.9 | 0 | 0 | 0 | 112.6 | K10 Q11 K16 E17 L18 | K10-Y14 PolarHBondContact O-N 3.37Å; Q11-Y14 PolarHBondContact O-N 2.96Å; Y14-K16 VanDerWaalsContact C-N 3.32Å; Y14-K16 PolarHBondContact O-N 3.3Å; Y14-E17 PolarHBondContact O-N 3.27Å; Y14-L18 HydrophobicContact CD1-CD1 3.81Å; Y14-L18 HydrophobicContact CD1-CG 4.41Å; Y14-L18 HydrophobicContact CE1-CD1 3.43Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.43Å; Y14-L18 HydrophobicContact CE1-CG 4.13Å; Y14-L18 WeakPolarHBondContact O-CG 3.5Å; Y14-L18 PolarHBondContact O-N 2.94Å |
| 15 | V | 95.6 | Very high | 92.1 | Very high | 75 Ų | 75 | 108.8 Ų | 108.8 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | Q11 I13 K19 | Q11-V15 WeakPolarHBondContact O-CG2 3.23Å; Q11-V15 PolarHBondContact O-N 3.43Å; I13-V15 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 2.91Å; V15-K19 HydrophobicContact CG1-CD 4.47Å; V15-K19 WeakPolarHBondContact O-CB 3.2Å; V15-K19 WeakPolarHBondContact O-CG 3.49Å; V15-K19 PolarHBondContact O-N 3.12Å; V15-K19 VanDerWaalsContact O-N 3.1Å |
| 16 | K | 95.6 | Very high | 92.5 | Very high | 164 Ų | 164 | 109.4 Ų | 109.4 | 71% | 0.713 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.4 | -42.2 | 175.6 | -81.2 | -175.5 | 175.6 | -172.3 | 0 | 111.8 | A12 I13 Y14 K19 G20 | A12-K16 WeakPolarHBondContact O-CG 3.39Å; A12-K16 PolarHBondContact O-N 2.89Å; I13-K16 WeakPolarHBondContact O-CB 3.5Å; I13-K16 PolarHBondContact O-N 3.17Å; I13-K16 VanDerWaalsContact O-N 3.07Å; Y14-K16 VanDerWaalsContact C-N 3.32Å; Y14-K16 PolarHBondContact O-N 3.3Å; K16-K19 PolarHBondContact O-N 2.9Å; K16-G20 PolarHBondContact O-N 3.06Å |
| 17 | E | 92.8 | Very high | 92.7 | Very high | 129 Ų | 129 | 112 Ų | 112 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -48.9 | 178 | -171.4 | 172 | -164.6 | 0 | 0 | 111.4 | I13 Y14 K19 G20 E21 | I13-E17 PolarHBondContact O-N 3.43Å; Y14-E17 PolarHBondContact O-N 3.27Å; E17-K19 VanDerWaalsContact C-N 3.31Å; E17-K19 PolarHBondContact O-N 3.23Å; E17-G20 WeakPolarHBondContact O-CA 3.39Å; E17-G20 PolarHBondContact O-N 3.09Å; E17-E21 PolarHBondContact O-N 3.41Å |
| 18 | L | 93.7 | Very high | 92.9 | Very high | 66 Ų | 66 | 114.3 Ų | 114.3 | 35% | 0.346 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 175.7 | -73.3 | 177.6 | 0 | 0 | 0 | 112.8 | Y14 G20 E21 I22 | Y14-L18 HydrophobicContact CD1-CD1 3.81Å; Y14-L18 HydrophobicContact CD1-CG 4.41Å; Y14-L18 HydrophobicContact CE1-CD1 3.43Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.43Å; Y14-L18 HydrophobicContact CE1-CG 4.13Å; Y14-L18 WeakPolarHBondContact O-CG 3.5Å; Y14-L18 PolarHBondContact O-N 2.94Å; L18-G20 VanDerWaalsContact C-N 3.34Å; L18-E21 PolarHBondContact O-N 3.46Å; L18-I22 WeakPolarHBondContact O-CB 3.46Å; L18-I22 VanDerWaalsContact O-CG1 3.26Å; L18-I22 WeakPolarHBondContact O-CG1 3.42Å; L18-I22 PolarHBondContact O-N 2.98Å |
| 19 | K | 95.6 | Very high | 92.7 | Very high | 146 Ų | 146 | 111.3 Ų | 111.3 | 64% | 0.635 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 174.6 | -78.9 | -177.3 | 176.4 | -172.1 | 0 | 112 | V15 K16 E17 A23 | V15-K19 HydrophobicContact CG1-CD 4.47Å; V15-K19 WeakPolarHBondContact O-CB 3.2Å; V15-K19 WeakPolarHBondContact O-CG 3.49Å; V15-K19 PolarHBondContact O-N 3.12Å; V15-K19 VanDerWaalsContact O-N 3.1Å; K16-K19 PolarHBondContact O-N 2.9Å; E17-K19 VanDerWaalsContact C-N 3.31Å; E17-K19 PolarHBondContact O-N 3.23Å; K19-A23 WeakPolarHBondContact O-CB 3.38Å; K19-A23 PolarHBondContact O-N 3.5Å |
| 20 | G | 94.7 | Very high | 92.3 | Very high | 37 Ų | 37 | 110.8 Ų | 110.8 | 38% | 0.381 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K16 E17 L18 A23 T24 | K16-G20 PolarHBondContact O-N 3.06Å; E17-G20 WeakPolarHBondContact O-CA 3.39Å; E17-G20 PolarHBondContact O-N 3.09Å; L18-G20 VanDerWaalsContact C-N 3.34Å; G20-A23 PolarHBondContact O-N 3.39Å; G20-T24 WeakPolarHBondContact O-CG2 3.46Å; G20-T24 PolarHBondContact O-N 2.93Å |
| 21 | E | 92.9 | Very high | 91.9 | Very high | 112 Ų | 112 | 109 Ų | 109 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 179 | -166.1 | 169.8 | -160.9 | 0 | 0 | 111.9 | E17 L18 A23 T24 L25 | E17-E21 PolarHBondContact O-N 3.41Å; L18-E21 PolarHBondContact O-N 3.46Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 3.01Å; E21-T24 WeakPolarHBondContact CA-OG1 3.33Å; E21-T24 PolarHBondContact O-N 3.12Å; E21-T24 VanDerWaalsContact O-N 3.14Å; E21-T24 PolarHBondContact O-OG1 3.41Å; E21-L25 HydrophobicContact CG-CD1 4.33Å; E21-L25 WeakPolarHBondContact O-CG 3.49Å; E21-L25 PolarHBondContact O-N 2.99Å |
| 22 | I | 95.3 | Very high | 91 | Very high | 85 Ų | 85 | 109.1 Ų | 109.1 | 44% | 0.436 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.5 | -42.3 | 174.1 | -69.3 | 167 | 0 | 0 | 0 | 111.3 | L18 L25 R26 | L18-I22 WeakPolarHBondContact O-CB 3.46Å; L18-I22 VanDerWaalsContact O-CG1 3.26Å; L18-I22 WeakPolarHBondContact O-CG1 3.42Å; L18-I22 PolarHBondContact O-N 2.98Å; I22-L25 PolarHBondContact O-N 3.39Å; I22-R26 HydrophobicContact CG2-CG 4.49Å; I22-R26 WeakPolarHBondContact O-CB 3.4Å; I22-R26 WeakPolarHBondContact O-CG 3.23Å; I22-R26 PolarHBondContact O-N 2.89Å |
| 23 | A | 94.5 | Very high | 89.9 | Confident | 57 Ų | 57 | 112.6 Ų | 112.6 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K19 G20 E21 R26 K27 | K19-A23 WeakPolarHBondContact O-CB 3.38Å; K19-A23 PolarHBondContact O-N 3.5Å; G20-A23 PolarHBondContact O-N 3.39Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 3.01Å; A23-R26 PolarHBondContact O-N 2.91Å; A23-K27 PolarHBondContact O-N 3.36Å |
| 24 | T | 92.2 | Very high | 88.6 | Confident | 73 Ų | 73 | 111.7 Ų | 111.7 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 176.2 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | G20 E21 K27 R28 | G20-T24 WeakPolarHBondContact O-CG2 3.46Å; G20-T24 PolarHBondContact O-N 2.93Å; E21-T24 WeakPolarHBondContact CA-OG1 3.33Å; E21-T24 PolarHBondContact O-N 3.12Å; E21-T24 VanDerWaalsContact O-N 3.14Å; E21-T24 PolarHBondContact O-OG1 3.41Å; T24-K27 PolarHBondContact O-N 2.89Å; T24-R28 WeakPolarHBondContact O-CG 3.25Å; T24-R28 PolarHBondContact O-N 3.01Å |
| 25 | L | 92.2 | Very high | 87 | Confident | 95 Ų | 95 | 109 Ų | 109 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 176.9 | -72.6 | 172.7 | 0 | 0 | 0 | 111.6 | E21 I22 K27 R28 L29 | E21-L25 HydrophobicContact CG-CD1 4.33Å; E21-L25 WeakPolarHBondContact O-CG 3.49Å; E21-L25 PolarHBondContact O-N 2.99Å; I22-L25 PolarHBondContact O-N 3.39Å; L25-K27 PolarHBondContact O-N 2.92Å; L25-R28 PolarHBondContact O-N 2.91Å; L25-L29 WeakPolarHBondContact O-CB 3.22Å; L25-L29 PolarHBondContact O-N 3.24Å |
| 26 | R | 92.8 | Very high | 84.8 | Confident | 171 Ų | 171 | 109.6 Ų | 109.6 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.2 | -46 | 173.4 | -77.4 | 180 | 175.4 | 170.3 | -2 | 112 | I22 A23 R28 L29 E30 | I22-R26 HydrophobicContact CG2-CG 4.49Å; I22-R26 WeakPolarHBondContact O-CB 3.4Å; I22-R26 WeakPolarHBondContact O-CG 3.23Å; I22-R26 PolarHBondContact O-N 2.89Å; A23-R26 PolarHBondContact O-N 2.91Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 2.86Å; R26-L29 PolarHBondContact O-N 2.91Å; R26-L29 VanDerWaalsContact O-N 3.12Å; R26-E30 PolarHBondContact O-N 3.29Å |
| 27 | K | 91.5 | Very high | 82.5 | Confident | 133 Ų | 133 | 106 Ų | 106 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.8 | -38.6 | 176.4 | -172.3 | 176.1 | -178.6 | 176.9 | 0 | 112.5 | A23 T24 L25 Q31 | A23-K27 PolarHBondContact O-N 3.36Å; T24-K27 PolarHBondContact O-N 2.89Å; L25-K27 PolarHBondContact O-N 2.92Å; K27-Q31 WeakPolarHBondContact O-CG 3.49Å; K27-Q31 PolarHBondContact O-N 3.49Å; K27-Q31 VanDerWaalsContact O-N 3.11Å |
| 28 | R | 90.1 | Very high | 80.4 | Confident | 171 Ų | 171 | 104.9 Ų | 104.9 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.1 | -36.8 | 174.6 | -76.4 | -179.9 | 176.2 | 165.8 | 1.1 | 112.4 | T24 L25 R26 Q31 H32 | T24-R28 WeakPolarHBondContact O-CG 3.25Å; T24-R28 PolarHBondContact O-N 3.01Å; L25-R28 PolarHBondContact O-N 2.91Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 2.86Å; R28-Q31 PolarHBondContact O-N 3.19Å; R28-H32 PolarHBondContact O-N 3.4Å |
| 29 | L | 84.8 | Confident | 78.2 | Confident | 113 Ų | 113 | 109.7 Ų | 109.7 | 59% | 0.592 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.6 | -44.3 | 177.4 | -166.2 | 133.2 | 0 | 0 | 0 | 111.1 | L25 R26 Q31 H32 E33 | L25-L29 WeakPolarHBondContact O-CB 3.22Å; L25-L29 PolarHBondContact O-N 3.24Å; R26-L29 PolarHBondContact O-N 2.91Å; R26-L29 VanDerWaalsContact O-N 3.12Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.39Å; L29-H32 PolarHBondContact O-N 2.99Å; L29-H32 VanDerWaalsContact O-N 3.08Å; L29-E33 PolarHBondContact O-N 2.89Å |
| 30 | E | 83.8 | Confident | 75.4 | Confident | 122 Ų | 122 | 108.4 Ų | 108.4 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.6 | -39.5 | 172.9 | -76.2 | 171.2 | -173.9 | 0 | 0 | 112.2 | R26 H32 E33 S34 | R26-E30 PolarHBondContact O-N 3.29Å; E30-H32 VanDerWaalsContact C-N 3.34Å; E30-E33 PolarHBondContact O-N 3.08Å; E30-S34 VanDerWaalsContact O-CB 3.31Å; E30-S34 WeakPolarHBondContact O-CB 3.41Å; E30-S34 PolarHBondContact O-N 3.26Å; E30-S34 PolarHBondContact O-OG 2.95Å |
| 31 | Q | 80.4 | Confident | 73 | Confident | 114 Ų | 114 | 112.5 Ų | 112.5 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.9 | -38 | 173.8 | -76.9 | 177.2 | -13.3 | 0 | 0 | 112.3 | K27 R28 L29 S35 | K27-Q31 WeakPolarHBondContact O-CG 3.49Å; K27-Q31 PolarHBondContact O-N 3.49Å; K27-Q31 VanDerWaalsContact O-N 3.11Å; R28-Q31 PolarHBondContact O-N 3.19Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.39Å; Q31-S35 WeakPolarHBondContact O-CB 3.41Å; Q31-S35 PolarHBondContact O-N 3.35Å; Q31-S35 VanDerWaalsContact O-N 3.14Å; Q31-S35 PolarHBondContact O-OG 2.87Å |
| 32 | H | 73.9 | Confident | 70.7 | Confident | 120 Ų | 120 | 111.1 Ų | 111.1 | 56% | 0.556 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.6 | -39.2 | 177.9 | -166.7 | -84 | 0 | 0 | 0 | 111.8 | R28 L29 E30 S35 N36 | R28-H32 PolarHBondContact O-N 3.4Å; L29-H32 PolarHBondContact O-N 2.99Å; L29-H32 VanDerWaalsContact O-N 3.08Å; E30-H32 VanDerWaalsContact C-N 3.34Å; H32-S35 PolarHBondContact O-N 3Å; H32-N36 PolarHBondContact CE1-ND2 3.49Å; H32-N36 WeakPolarHBondContact O-CB 3.19Å; H32-N36 PolarHBondContact O-N 2.84Å |
| 33 | E | 70.2 | Confident | 68 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.9 | -42.2 | 173.1 | -106.6 | 180 | 132.9 | 0 | 0 | 112.1 | L29 E30 S35 N36 A37 | L29-E33 PolarHBondContact O-N 2.89Å; E30-E33 PolarHBondContact O-N 3.08Å; E33-S35 PolarHBondContact O-N 3.4Å; E33-N36 PolarHBondContact O-N 2.88Å; E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 3.27Å |
| 34 | S | 65 | Low | 65.6 | Low | 91 Ų | 91 | 113.6 Ų | 113.6 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -64.3 | -27.3 | 176 | -55 | 0 | 0 | 0 | 0 | 112.5 | E30 | E30-S34 VanDerWaalsContact O-CB 3.31Å; E30-S34 WeakPolarHBondContact O-CB 3.41Å; E30-S34 PolarHBondContact O-N 3.26Å; E30-S34 PolarHBondContact O-OG 2.95Å |
| 35 | S | 58.4 | Low | 63 | Low | 88 Ų | 88 | 114 Ų | 114 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -85.6 | -25.3 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | Q31 H32 E33 | Q31-S35 WeakPolarHBondContact O-CB 3.41Å; Q31-S35 PolarHBondContact O-N 3.35Å; Q31-S35 VanDerWaalsContact O-N 3.14Å; Q31-S35 PolarHBondContact O-OG 2.87Å; H32-S35 PolarHBondContact O-N 3Å; E33-S35 PolarHBondContact O-N 3.4Å |
| 36 | N | 51.3 | Low | 60.8 | Low | 87 Ų | 87 | 117.2 Ų | 117.2 | 47% | 0.465 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -94.6 | -12.9 | 179 | -90.3 | 17.5 | 0 | 0 | 0 | 114 | H32 E33 S38 Q39 | H32-N36 PolarHBondContact CE1-ND2 3.49Å; H32-N36 WeakPolarHBondContact O-CB 3.19Å; H32-N36 PolarHBondContact O-N 2.84Å; E33-N36 PolarHBondContact O-N 2.88Å; N36-S38 PolarHBondContact O-N 2.68Å; N36-Q39 PolarHBondContact O-N 3.37Å |
| 37 | A | 46.9 | Very low | 58.3 | Low | 88 Ų | 88 | 118 Ų | 118 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -1.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E33 | E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 3.27Å |
| 38 | S | 48.3 | Very low | 55.7 | Low | 106 Ų | 106 | 115.1 Ų | 115.1 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 2 | 172.6 | -46.5 | 0 | 0 | 0 | 0 | 114 | N36 | N36-S38 PolarHBondContact O-N 2.68Š|
| 39 | Q | 46.8 | Very low | 53.6 | Low | 166 Ų | 166 | 112 Ų | 112 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -145.5 | 75 | -176.3 | -64.8 | -175.8 | 8.6 | 0 | 0 | 112.5 | N36 | N36-Q39 PolarHBondContact O-N 3.37Š|
| 40 | S | 36.9 | Very low | 51.4 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | trans | -178.3 | 104.3 | 147.7 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 41 | S | 44.3 | Very low | 49.4 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -105.6 | 116.5 | 157.7 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 42 | G | 44.6 | Very low | 47.3 | Very low | 84 Ų | 84 | 116.3 Ų | 116.3 | 87% | 0.866 | 74% | 0.741 | S | S | * | * | trans | 79.8 | 133.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 43 | G | 39.4 | Very low | 46.1 | Very low | 75 Ų | 75 | 115.8 Ų | 115.8 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | cis | 161.9 | 142.5 | 5.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 44 | S | 42.8 | Very low | 44.6 | Very low | 119 Ų | 119 | 115 Ų | 115 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | 67.8 | 116.9 | 156.9 | -154.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 45 | A | 39 | Very low | 43.8 | Very low | 81 Ų | 81 | 116.3 Ų | 116.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | -43.6 | 153.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 46 | L | 46.5 | Very low | 43.1 | Very low | 162 Ų | 162 | 118.9 Ų | 118.9 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | -175 | 159.3 | 114.2 | -91.5 | 162.6 | 0 | 0 | 0 | 110.5 | |||||
| 47 | E | 40.4 | Very low | 42.7 | Very low | 188 Ų | 188 | 121 Ų | 121 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -65.4 | 170.3 | -163 | -53.4 | 176.1 | 124.4 | 0 | 0 | 116.1 | ||||
| 48 | G | 37 | Very low | 42.6 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 135.4 | 90.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 49 | S | 44.2 | Very low | 42.2 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 40.8 | 114.3 | 134.7 | -155.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 50 | S | 40.1 | Very low | 42.2 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | 63.9 | 135.5 | 127.6 | -47.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 51 | R | 40.5 | Very low | 42.5 | Very low | 246 Ų | 246 | 119.7 Ų | 119.7 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | trans | 96.5 | 109 | 154.3 | -62 | 179.3 | 170.8 | -162 | -4.3 | 117.5 | ||||
| 52 | A | 37.7 | Very low | 42.4 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -69.2 | -177.7 | 153 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 53 | P | 48.2 | Very low | 42.7 | Very low | 108 Ų | 108 | 125 Ų | 125 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -144.4 | 174.9 | 1.2 | 44.8 | -25.9 | 0 | 0 | 0 | 117.2 | ||||
| 54 | S | 38.5 | Very low | 42.9 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 74.8 | 169.3 | 149.1 | -33.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 55 | P | 47.3 | Very low | 42.9 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | -125.2 | 163.8 | -119.3 | 25.5 | 0.5 | 0 | 0 | 0 | 114.7 | |||||
| 56 | T | 44.4 | Very low | 42.9 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -149.2 | 133.8 | 164.2 | 47 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 57 | P | 42.5 | Very low | 43.1 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -98.6 | 130 | 165.6 | 34.3 | -24.2 | 0 | 0 | 0 | 109.7 | ||||
| 58 | S | 45.6 | Very low | 43.1 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -105.1 | 120.7 | 171.8 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 59 | S | 39.1 | Very low | 43.3 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -77.8 | 137.2 | 168.8 | 63.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 60 | S | 47.5 | Very low | 42.8 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -157.7 | 109.2 | 148.4 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 61 | A | 43.3 | Very low | 43.2 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 161.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 62 | P | 42.1 | Very low | 43.2 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | -149.5 | 140.7 | 97.2 | 34.5 | -15.5 | 0 | 0 | 0 | 117.4 | |||||
| 63 | K | 50.2 | Low | 43 | Very low | 201 Ų | 201 | 126.4 Ų | 126.4 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 63 | 145.4 | 137.7 | -70.1 | -176.7 | 179.1 | 177.4 | 0 | 123.9 | ||||
| 64 | P | 43.7 | Very low | 42.7 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -102.6 | 147 | -169.5 | 39.2 | -28.3 | 0 | 0 | 0 | 113.1 | ||||
| 65 | C | 42.6 | Very low | 42.7 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | trans | -134.9 | 128.5 | 160.4 | -84.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 66 | A | 38.9 | Very low | 42.7 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -69.3 | 138.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 67 | I | 50.8 | Low | 43 | Very low | 165 Ų | 165 | 128 Ų | 128 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -145.9 | 139.5 | 154.1 | -58.4 | -174.9 | 0 | 0 | 0 | 108.5 | ||||
| 68 | D | 42.2 | Very low | 43.4 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -54 | 160.8 | -162.4 | -68 | -65.8 | 0 | 0 | 0 | 120.7 | ||||
| 69 | P | 39.1 | Very low | 43.6 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -91.7 | 97.2 | 173.5 | 35.8 | -26.7 | 0 | 0 | 0 | 110.6 | ||||
| 70 | A | 35.3 | Very low | 44.3 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -162.3 | 86.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 71 | V | 48.5 | Very low | 44.8 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | -143.2 | 121.7 | 147.2 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 72 | E | 39 | Very low | 45.8 | Very low | 154 Ų | 154 | 127 Ų | 127 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | trans | -51.8 | 144.1 | 174 | -62.4 | 164.5 | 137.7 | 0 | 0 | 112.2 | ||||
| 73 | C | 34.2 | Very low | 47.1 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | 5.8 | 140 | 125.8 | -131 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 74 | Y | 42 | Very low | 48.4 | Very low | 187 Ų | 187 | 122.3 Ų | 122.3 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | -160.2 | 132.6 | 50.9 | -18.2 | -87.8 | 0 | 0 | 0 | 110.5 | |||||
| 75 | E | 38.1 | Very low | 50.4 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 53% | 0.533 | 69% | 0.686 | S | S | . | * | trans | -58.3 | 142 | -174.5 | -58.5 | 166.1 | 142.2 | 0 | 0 | 113.7 | R79 | E75-R79 VanDerWaalsContact CD-NH1 3.31Å; E75-R79 IonicContact OE1-CZ 3.83Å; E75-R79 IonicContact OE1-NH1 3.02Å; E75-R79 PolarHBondContact OE1-NH1 3.17Å; E75-R79 IonicContact OE1-NH2 2.79Å; E75-R79 PolarHBondContact OE1-NH2 3.38Å; E75-R79 IonicContact OE2-NH1 2.64Å | ||
| 76 | N | 47.2 | Very low | 52.6 | Low | 116 Ų | 116 | 120.3 Ų | 120.3 | 62% | 0.62 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 163.4 | -17.3 | 132.8 | -80.2 | -21.2 | 0 | 0 | 0 | 114.9 | K80 | N76-K80 WeakPolarHBondContact O-CG 3.34Š|
| 77 | S | 50.7 | Low | 55.1 | Low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -90.8 | -42.8 | -178.4 | -155.3 | 0 | 0 | 0 | 0 | 113.1 | K80 V81 | S77-K80 PolarHBondContact O-N 2.87Å; S77-V81 PolarHBondContact O-N 2.81Å |
| 78 | T | 50.7 | Low | 57.1 | Low | 127 Ų | 127 | 114.8 Ų | 114.8 | 78% | 0.779 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.2 | -29.7 | -179.8 | -4.2 | 0 | 0 | 0 | 0 | 113.5 | K80 G82 | T78-K80 VanDerWaalsContact C-N 3.35Å; T78-G82 PolarHBondContact O-N 3.47Å; T78-G82 VanDerWaalsContact O-N 3.12Å |
| 79 | R | 50.6 | Low | 59.6 | Low | 163 Ų | 163 | 112.2 Ų | 112.2 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.1 | -32.9 | 173.2 | -82.5 | -170.6 | -175.4 | 160.2 | 10.4 | 112.4 | E75 C83 | E75-R79 VanDerWaalsContact CD-NH1 3.31Å; E75-R79 IonicContact OE1-CZ 3.83Å; E75-R79 IonicContact OE1-NH1 3.02Å; E75-R79 PolarHBondContact OE1-NH1 3.17Å; E75-R79 IonicContact OE1-NH2 2.79Å; E75-R79 PolarHBondContact OE1-NH2 3.38Å; E75-R79 IonicContact OE2-NH1 2.64Å; R79-C83 VanDerWaalsContact O-CB 3.28Å; R79-C83 WeakPolarHBondContact O-CB 3.48Å; R79-C83 PolarHBondContact O-N 3.42Å |
| 80 | K | 53.4 | Low | 62.3 | Low | 147 Ų | 147 | 110.4 Ų | 110.4 | 64% | 0.639 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.3 | -46.5 | 176.1 | -78.7 | -173.5 | 176.2 | -172.1 | 0 | 111.8 | N76 S77 T78 G82 C83 E84 | N76-K80 WeakPolarHBondContact O-CG 3.34Å; S77-K80 PolarHBondContact O-N 2.87Å; T78-K80 VanDerWaalsContact C-N 3.35Å; K80-G82 VanDerWaalsContact C-N 3.35Å; K80-G82 PolarHBondContact O-N 3.24Å; K80-C83 WeakPolarHBondContact O-CB 3.4Å; K80-C83 PolarHBondContact O-N 3.48Å; K80-E84 WeakPolarHBondContact O-CG 3.32Å; K80-E84 PolarHBondContact O-N 3.13Å |
| 81 | V | 58.4 | Low | 65.1 | Low | 92 Ų | 92 | 111.7 Ų | 111.7 | 56% | 0.558 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.6 | -39.6 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | S77 E84 H85 | S77-V81 PolarHBondContact O-N 2.81Å; V81-E84 PolarHBondContact O-N 2.96Å; V81-H85 WeakPolarHBondContact O-CB 3.46Å; V81-H85 PolarHBondContact O-N 2.95Å |
| 82 | G | 64.8 | Low | 67.4 | Low | 33 Ų | 33 | 111.8 Ų | 111.8 | 34% | 0.34 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.9 | -38.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T78 K80 N86 | T78-G82 PolarHBondContact O-N 3.47Å; T78-G82 VanDerWaalsContact O-N 3.12Å; K80-G82 VanDerWaalsContact C-N 3.35Å; K80-G82 PolarHBondContact O-N 3.24Å; G82-N86 WeakPolarHBondContact O-CB 3.26Å; G82-N86 PolarHBondContact O-N 3.48Å; G82-N86 PolarHBondContact O-ND2 3.37Å |
| 83 | C | 68 | Low | 70.2 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.6 | -41.8 | 176.3 | -165 | 0 | 0 | 0 | 0 | 111.8 | R79 K80 Q87 | R79-C83 VanDerWaalsContact O-CB 3.28Å; R79-C83 WeakPolarHBondContact O-CB 3.48Å; R79-C83 PolarHBondContact O-N 3.42Å; K80-C83 WeakPolarHBondContact O-CB 3.4Å; K80-C83 PolarHBondContact O-N 3.48Å; C83-Q87 VanDerWaalsContact O-CB 3.23Å; C83-Q87 WeakPolarHBondContact O-CB 3.36Å; C83-Q87 PolarHBondContact O-N 3.03Å |
| 84 | E | 79.2 | Confident | 73.2 | Confident | 132 Ų | 132 | 105.8 Ų | 105.8 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 176 | -72.1 | 172.9 | -176.3 | 0 | 0 | 112.1 | K80 V81 Q87 A88 | K80-E84 WeakPolarHBondContact O-CG 3.32Å; K80-E84 PolarHBondContact O-N 3.13Å; V81-E84 PolarHBondContact O-N 2.96Å; E84-Q87 PolarHBondContact O-N 3.43Å; E84-A88 WeakPolarHBondContact O-CB 3.48Å; E84-A88 PolarHBondContact O-N 3.08Å |
| 85 | H | 85.4 | Confident | 75.8 | Confident | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.546 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 176.6 | -174.6 | 78 | 0 | 0 | 0 | 112.3 | V81 Q87 A88 M89 | V81-H85 WeakPolarHBondContact O-CB 3.46Å; V81-H85 PolarHBondContact O-N 2.95Å; H85-Q87 VanDerWaalsContact C-N 3.34Å; H85-Q87 PolarHBondContact O-N 3.21Å; H85-A88 PolarHBondContact O-N 3.38Å; H85-M89 WeakPolarHBondContact NE2-CE 3.48Å; H85-M89 WeakPolarHBondContact O-CB 3.45Å; H85-M89 PolarHBondContact O-N 3.31Å |
| 86 | N | 88.8 | Confident | 78.7 | Confident | 93 Ų | 93 | 103.8 Ų | 103.8 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.5 | -72.4 | -19.2 | 0 | 0 | 0 | 111 | G82 M89 I90 | G82-N86 WeakPolarHBondContact O-CB 3.26Å; G82-N86 PolarHBondContact O-N 3.48Å; G82-N86 PolarHBondContact O-ND2 3.37Å; N86-M89 PolarHBondContact O-N 2.89Å; N86-I90 WeakPolarHBondContact O-CD1 3.27Å; N86-I90 WeakPolarHBondContact O-CG1 3.47Å; N86-I90 PolarHBondContact O-N 2.86Å |
| 87 | Q | 91.1 | Very high | 81.1 | Confident | 93 Ų | 93 | 104.1 Ų | 104.1 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.6 | -178.4 | 59.6 | 35.5 | 0 | 0 | 111.7 | C83 E84 H85 M89 I90 E91 | C83-Q87 VanDerWaalsContact O-CB 3.23Å; C83-Q87 WeakPolarHBondContact O-CB 3.36Å; C83-Q87 PolarHBondContact O-N 3.03Å; E84-Q87 PolarHBondContact O-N 3.43Å; H85-Q87 VanDerWaalsContact C-N 3.34Å; H85-Q87 PolarHBondContact O-N 3.21Å; Q87-M89 VanDerWaalsContact C-N 3.31Å; Q87-M89 PolarHBondContact O-N 2.89Å; Q87-I90 PolarHBondContact O-N 3.2Å; Q87-E91 PolarHBondContact NE2-OE1 3.4Å; Q87-E91 WeakPolarHBondContact O-CG 3.49Å; Q87-E91 PolarHBondContact O-N 3.15Å |
| 88 | A | 91.9 | Very high | 83.3 | Confident | 54 Ų | 54 | 107.1 Ų | 107.1 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E84 H85 K92 | E84-A88 WeakPolarHBondContact O-CB 3.48Å; E84-A88 PolarHBondContact O-N 3.08Å; H85-A88 PolarHBondContact O-N 3.38Å; A88-K92 WeakPolarHBondContact O-CB 3.33Å; A88-K92 PolarHBondContact O-N 3.3Å |
| 89 | M | 95.1 | Very high | 85.5 | Confident | 94 Ų | 94 | 102.5 Ų | 102.5 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 175.1 | -167.7 | -177.5 | -58.5 | 0 | 0 | 111.4 | H85 N86 Q87 E91 K92 I93 | H85-M89 WeakPolarHBondContact NE2-CE 3.48Å; H85-M89 WeakPolarHBondContact O-CB 3.45Å; H85-M89 PolarHBondContact O-N 3.31Å; N86-M89 PolarHBondContact O-N 2.89Å; Q87-M89 VanDerWaalsContact C-N 3.31Å; Q87-M89 PolarHBondContact O-N 2.89Å; M89-E91 PolarHBondContact O-N 3.28Å; M89-K92 PolarHBondContact O-N 2.8Å; M89-I93 HydrophobicContact CG-CD1 4.14Å; M89-I93 VanDerWaalsContact O-CG1 3.26Å; M89-I93 WeakPolarHBondContact O-CG1 3.45Å; M89-I93 PolarHBondContact O-N 3.4Å |
| 90 | I | 95.1 | Very high | 87.8 | Confident | 89 Ų | 89 | 97.6 Ų | 97.6 | 46% | 0.456 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.4 | -68 | 162.4 | 0 | 0 | 0 | 110.2 | N86 Q87 K92 I93 V94 | N86-I90 WeakPolarHBondContact O-CD1 3.27Å; N86-I90 WeakPolarHBondContact O-CG1 3.47Å; N86-I90 PolarHBondContact O-N 2.86Å; Q87-I90 PolarHBondContact O-N 3.2Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 3.37Å; I90-I93 WeakPolarHBondContact O-CB 3.46Å; I90-I93 PolarHBondContact O-N 3.17Å; I90-V94 HydrophobicContact CG2-CG2 4.38Å; I90-V94 WeakPolarHBondContact O-CG2 3.36Å; I90-V94 PolarHBondContact O-N 2.96Å |
| 91 | E | 95.3 | Very high | 89.9 | Confident | 115 Ų | 115 | 92.7 Ų | 92.7 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.8 | -74.5 | 174.5 | -162.9 | 0 | 0 | 112.4 | Q87 M89 V94 K95 | Q87-E91 PolarHBondContact NE2-OE1 3.4Å; Q87-E91 WeakPolarHBondContact O-CG 3.49Å; Q87-E91 PolarHBondContact O-N 3.15Å; M89-E91 PolarHBondContact O-N 3.28Å; E91-V94 PolarHBondContact O-N 2.81Å; E91-K95 WeakPolarHBondContact O-CB 3.49Å; E91-K95 PolarHBondContact O-N 3.05Å |
| 92 | K | 96.8 | Very high | 91.8 | Very high | 146 Ų | 146 | 95.2 Ų | 95.2 | 64% | 0.635 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 174.9 | -170.6 | 175.7 | -177.7 | 179.7 | 0 | 111.5 | A88 M89 I90 K95 L96 | A88-K92 WeakPolarHBondContact O-CB 3.33Å; A88-K92 PolarHBondContact O-N 3.3Å; M89-K92 PolarHBondContact O-N 2.8Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 3.37Å; K92-K95 PolarHBondContact O-N 3.08Å; K92-L96 HydrophobicContact CG-CD1 4.35Å; K92-L96 WeakPolarHBondContact O-CB 3.47Å; K92-L96 WeakPolarHBondContact O-CG 3.49Å; K92-L96 PolarHBondContact O-N 2.79Å |
| 93 | I | 96.8 | Very high | 93.4 | Very high | 77 Ų | 77 | 100.9 Ų | 100.9 | 40% | 0.395 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 175.4 | -70.1 | 163.2 | 0 | 0 | 0 | 110 | M89 I90 K95 L96 Q97 | M89-I93 HydrophobicContact CG-CD1 4.14Å; M89-I93 VanDerWaalsContact O-CG1 3.26Å; M89-I93 WeakPolarHBondContact O-CG1 3.45Å; M89-I93 PolarHBondContact O-N 3.4Å; I90-I93 WeakPolarHBondContact O-CB 3.46Å; I90-I93 PolarHBondContact O-N 3.17Å; I93-K95 VanDerWaalsContact C-N 3.32Å; I93-K95 PolarHBondContact O-N 2.9Å; I93-L96 PolarHBondContact O-N 3.28Å; I93-L96 VanDerWaalsContact O-N 3.17Å; I93-Q97 HydrophobicContact CG2-CG 4.24Å; I93-Q97 WeakPolarHBondContact O-CB 3.37Å; I93-Q97 WeakPolarHBondContact O-CG 3.46Å; I93-Q97 PolarHBondContact O-N 3.2Å |
| 94 | V | 97.5 | Very high | 94.8 | Very high | 46 Ų | 46 | 100.6 Ų | 100.6 | 28% | 0.279 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 179.2 | 171.4 | 0 | 0 | 0 | 0 | 111 | I90 E91 L96 Q97 R98 | I90-V94 HydrophobicContact CG2-CG2 4.38Å; I90-V94 WeakPolarHBondContact O-CG2 3.36Å; I90-V94 PolarHBondContact O-N 2.96Å; E91-V94 PolarHBondContact O-N 2.81Å; V94-L96 PolarHBondContact O-N 2.9Å; V94-Q97 PolarHBondContact O-N 3.43Å; V94-R98 VanDerWaalsContact CG1-NH2 3.35Å; V94-R98 WeakPolarHBondContact O-CG 3.33Å; V94-R98 PolarHBondContact O-N 3.26Å |
| 95 | K | 97.1 | Very high | 95.7 | Very high | 159 Ų | 159 | 100.2 Ų | 100.2 | 69% | 0.691 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.7 | -43.3 | 176.4 | -173.1 | 176.4 | -178.5 | 177.1 | 0 | 111.8 | E91 K92 I93 A99 | E91-K95 WeakPolarHBondContact O-CB 3.49Å; E91-K95 PolarHBondContact O-N 3.05Å; K92-K95 PolarHBondContact O-N 3.08Å; I93-K95 VanDerWaalsContact C-N 3.32Å; I93-K95 PolarHBondContact O-N 2.9Å; K95-A99 WeakPolarHBondContact O-CB 3.49Å; K95-A99 PolarHBondContact O-N 2.7Å; K95-A99 VanDerWaalsContact O-N 3.08Å |
| 96 | L | 98.2 | Very high | 96.3 | Very high | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 176.4 | -73.1 | 172.5 | 0 | 0 | 0 | 111.7 | K92 I93 V94 R98 A99 V100 | K92-L96 HydrophobicContact CG-CD1 4.35Å; K92-L96 WeakPolarHBondContact O-CB 3.47Å; K92-L96 WeakPolarHBondContact O-CG 3.49Å; K92-L96 PolarHBondContact O-N 2.79Å; I93-L96 PolarHBondContact O-N 3.28Å; I93-L96 VanDerWaalsContact O-N 3.17Å; V94-L96 PolarHBondContact O-N 2.9Å; L96-R98 PolarHBondContact O-N 2.94Å; L96-A99 CarbonylContact O-C 3.55Å; L96-A99 WeakPolarHBondContact O-CA 3.42Å; L96-A99 WeakPolarHBondContact O-CB 3.43Å; L96-A99 PolarHBondContact O-N 2.89Å; L96-A99 VanDerWaalsContact O-N 3.08Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 3.23Å |
| 97 | Q | 98 | Very high | 96.7 | Very high | 122 Ų | 122 | 99.6 Ų | 99.6 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.8 | -45.2 | 176.3 | -75.4 | 175.7 | -18.4 | 0 | 0 | 111.6 | I93 V94 A99 V100 A101 | I93-Q97 HydrophobicContact CG2-CG 4.24Å; I93-Q97 WeakPolarHBondContact O-CB 3.37Å; I93-Q97 WeakPolarHBondContact O-CG 3.46Å; I93-Q97 PolarHBondContact O-N 3.2Å; V94-Q97 PolarHBondContact O-N 3.43Å; Q97-A99 VanDerWaalsContact C-N 3.29Å; Q97-A99 PolarHBondContact O-N 3.3Å; Q97-V100 PolarHBondContact O-N 3.01Å; Q97-A101 WeakPolarHBondContact O-CB 3.46Å; Q97-A101 PolarHBondContact O-N 3.3Å |
| 98 | R | 97.3 | Very high | 97 | Very high | 160 Ų | 160 | 101.2 Ų | 101.2 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.6 | -36.7 | 173.5 | -68.4 | -178.4 | -154.8 | 169 | 7.1 | 112.4 | V94 L96 R102 | V94-R98 VanDerWaalsContact CG1-NH2 3.35Å; V94-R98 WeakPolarHBondContact O-CG 3.33Å; V94-R98 PolarHBondContact O-N 3.26Å; L96-R98 PolarHBondContact O-N 2.94Å; R98-R102 WeakPolarHBondContact O-CG 3.32Å; R98-R102 PolarHBondContact O-N 2.93Å; R98-R102 VanDerWaalsContact O-N 3.13Å; R98-R102 PolarHBondContact O-NH1 3.4Å |
| 99 | A | 97.3 | Very high | 97.3 | Very high | 31 Ų | 31 | 104.7 Ų | 104.7 | 26% | 0.256 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.1 | -31.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K95 L96 Q97 R103 | K95-A99 WeakPolarHBondContact O-CB 3.49Å; K95-A99 PolarHBondContact O-N 2.7Å; K95-A99 VanDerWaalsContact O-N 3.08Å; L96-A99 CarbonylContact O-C 3.55Å; L96-A99 WeakPolarHBondContact O-CA 3.42Å; L96-A99 WeakPolarHBondContact O-CB 3.43Å; L96-A99 PolarHBondContact O-N 2.89Å; L96-A99 VanDerWaalsContact O-N 3.08Å; Q97-A99 VanDerWaalsContact C-N 3.29Å; Q97-A99 PolarHBondContact O-N 3.3Å; A99-R103 WeakPolarHBondContact O-CG 3.4Å; A99-R103 PolarHBondContact O-N 2.7Å; A99-R103 PolarHBondContact O-NE 3.05Å |
| 100 | V | 97.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 104.1 Ų | 104.1 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 170.9 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | L96 Q97 R102 R103 N104 | L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 3.23Å; Q97-V100 PolarHBondContact O-N 3.01Å; V100-R102 PolarHBondContact O-N 3.47Å; V100-R103 PolarHBondContact O-N 3.42Å; V100-N104 PolarHBondContact O-N 3.03Å |
| 101 | A | 97.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 104.9 Ų | 104.9 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.1 | -50.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q97 R103 N104 E105 | Q97-A101 WeakPolarHBondContact O-CB 3.46Å; Q97-A101 PolarHBondContact O-N 3.3Å; A101-R103 VanDerWaalsContact C-N 3.28Å; A101-R103 PolarHBondContact O-N 2.9Å; A101-N104 PolarHBondContact O-N 3.09Å; A101-N104 VanDerWaalsContact O-N 3.15Å; A101-E105 WeakPolarHBondContact O-CG 3.47Å; A101-E105 PolarHBondContact O-N 3.24Å |
| 102 | R | 98.1 | Very high | 97.7 | Very high | 144 Ų | 144 | 104.6 Ų | 104.6 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -34.3 | 176.1 | -72.7 | -170.7 | -63.9 | -88.4 | 0.6 | 113.7 | R98 V100 K106 | R98-R102 WeakPolarHBondContact O-CG 3.32Å; R98-R102 PolarHBondContact O-N 2.93Å; R98-R102 VanDerWaalsContact O-N 3.13Å; R98-R102 PolarHBondContact O-NH1 3.4Å; V100-R102 PolarHBondContact O-N 3.47Å; R102-K106 WeakPolarHBondContact O-CB 3.41Å; R102-K106 PolarHBondContact O-N 2.9Å; R102-K106 VanDerWaalsContact O-N 3.17Å |
| 103 | R | 98 | Very high | 97.8 | Very high | 152 Ų | 152 | 101.6 Ų | 101.6 | 57% | 0.574 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.8 | -40.1 | 176.6 | -78.8 | -175 | -67.9 | 158.6 | -1.8 | 111.2 | A99 V100 A101 K106 I107 | A99-R103 WeakPolarHBondContact O-CG 3.4Å; A99-R103 PolarHBondContact O-N 2.7Å; A99-R103 PolarHBondContact O-NE 3.05Å; V100-R103 PolarHBondContact O-N 3.42Å; A101-R103 VanDerWaalsContact C-N 3.28Å; A101-R103 PolarHBondContact O-N 2.9Å; R103-K106 PolarHBondContact O-N 3.43Å; R103-I107 VanDerWaalsContact O-CG1 3.29Å; R103-I107 WeakPolarHBondContact O-CG1 3.29Å; R103-I107 PolarHBondContact O-N 3.24Å |
| 104 | N | 97.9 | Very high | 97.9 | Very high | 82 Ų | 82 | 102.4 Ų | 102.4 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 175.8 | -72.3 | 1 | 0 | 0 | 0 | 111.3 | V100 A101 K106 I107 E108 | V100-N104 PolarHBondContact O-N 3.03Å; A101-N104 PolarHBondContact O-N 3.09Å; A101-N104 VanDerWaalsContact O-N 3.15Å; N104-K106 PolarHBondContact O-N 3.03Å; N104-I107 WeakPolarHBondContact O-CB 3.44Å; N104-I107 PolarHBondContact O-N 2.9Å; N104-E108 WeakPolarHBondContact O-CG 3.41Å; N104-E108 PolarHBondContact O-N 3.12Å |
| 105 | E | 97.6 | Very high | 97.9 | Very high | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.3 | -39.7 | 173.4 | -71 | 169.6 | -176 | 0 | 0 | 111.8 | A101 F109 | A101-E105 WeakPolarHBondContact O-CG 3.47Å; A101-E105 PolarHBondContact O-N 3.24Å; E105-F109 WeakPolarHBondContact O-CB 3.44Å; E105-F109 PolarHBondContact O-N 3.37Å |
| 106 | K | 98.3 | Very high | 97.9 | Very high | 113 Ų | 113 | 103 Ų | 103 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 177.1 | -175.6 | 58 | 177 | 177.6 | 0 | 112.7 | R102 R103 N104 L110 | R102-K106 WeakPolarHBondContact O-CB 3.41Å; R102-K106 PolarHBondContact O-N 2.9Å; R102-K106 VanDerWaalsContact O-N 3.17Å; R103-K106 PolarHBondContact O-N 3.43Å; N104-K106 PolarHBondContact O-N 3.03Å; K106-L110 HydrophobicContact CD-CD1 4.45Å; K106-L110 HydrophobicContact CD-CG 4.39Å; K106-L110 HydrophobicContact CG-CD1 4.31Å; K106-L110 WeakPolarHBondContact O-CG 3.47Å; K106-L110 PolarHBondContact O-N 3.05Å; K106-L110 VanDerWaalsContact O-N 3.09Å |
| 107 | I | 97.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 103 Ų | 103 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -52.4 | 175.2 | -71.8 | 163.7 | 0 | 0 | 0 | 109.1 | R103 N104 F109 L110 E111 | R103-I107 VanDerWaalsContact O-CG1 3.29Å; R103-I107 WeakPolarHBondContact O-CG1 3.29Å; R103-I107 PolarHBondContact O-N 3.24Å; N104-I107 WeakPolarHBondContact O-CB 3.44Å; N104-I107 PolarHBondContact O-N 2.9Å; I107-F109 VanDerWaalsContact C-N 3.3Å; I107-F109 PolarHBondContact O-N 2.86Å; I107-L110 PolarHBondContact O-N 3.48Å; I107-E111 HydrophobicContact CG2-CG 4.19Å; I107-E111 WeakPolarHBondContact O-CG 3.31Å; I107-E111 PolarHBondContact O-N 3.4Å |
| 108 | E | 97.7 | Very high | 97.9 | Very high | 127 Ų | 127 | 99.2 Ų | 99.2 | 59% | 0.593 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -55.7 | -44.4 | 178.7 | -70.9 | 174.6 | -165.4 | 0 | 0 | 111.7 | N104 L110 E111 E112 | N104-E108 WeakPolarHBondContact O-CG 3.41Å; N104-E108 PolarHBondContact O-N 3.12Å; E108-L110 PolarHBondContact O-N 3.08Å; E108-E111 PolarHBondContact O-N 3.19Å; E108-E112 PolarHBondContact O-N 2.96Å; E108-E112 VanDerWaalsContact O-N 3.08Å |
| 109 | F | 98.4 | Very high | 97.9 | Very high | 126 Ų | 126 | 97.4 Ų | 97.4 | 55% | 0.553 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.7 | -44.4 | 175.3 | 173.6 | -93.3 | 0 | 0 | 0 | 113.1 | E105 I107 N113 | E105-F109 WeakPolarHBondContact O-CB 3.44Å; E105-F109 PolarHBondContact O-N 3.37Å; I107-F109 VanDerWaalsContact C-N 3.3Å; I107-F109 PolarHBondContact O-N 2.86Å; F109-N113 PolarHBondContact O-N 2.98Å; F109-N113 VanDerWaalsContact O-N 3.07Å |
| 110 | L | 98.5 | Very high | 97.9 | Very high | 82 Ų | 82 | 98.6 Ų | 98.6 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.7 | -37.3 | -179.2 | -71.9 | 175.8 | 0 | 0 | 0 | 111.9 | K106 I107 E108 E112 N113 V114 | K106-L110 HydrophobicContact CD-CD1 4.45Å; K106-L110 HydrophobicContact CD-CG 4.39Å; K106-L110 HydrophobicContact CG-CD1 4.31Å; K106-L110 WeakPolarHBondContact O-CG 3.47Å; K106-L110 PolarHBondContact O-N 3.05Å; K106-L110 VanDerWaalsContact O-N 3.09Å; I107-L110 PolarHBondContact O-N 3.48Å; E108-L110 PolarHBondContact O-N 3.08Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-E112 PolarHBondContact O-N 3.28Å; L110-N113 PolarHBondContact O-N 3.25Å; L110-V114 WeakPolarHBondContact O-CG2 3.44Å; L110-V114 PolarHBondContact O-N 3.14Å |
| 111 | E | 98.1 | Very high | 97.9 | Very high | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.5 | -73.3 | -179.8 | 165.1 | 0 | 0 | 111.3 | I107 E108 V114 K115 | I107-E111 HydrophobicContact CG2-CG 4.19Å; I107-E111 WeakPolarHBondContact O-CG 3.31Å; I107-E111 PolarHBondContact O-N 3.4Å; E108-E111 PolarHBondContact O-N 3.19Å; E111-V114 PolarHBondContact O-N 2.98Å; E111-K115 WeakPolarHBondContact O-CG 3.3Å; E111-K115 PolarHBondContact O-N 3.04Å |
| 112 | E | 97.8 | Very high | 97.9 | Very high | 109 Ų | 109 | 105.8 Ų | 105.8 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 175.6 | -167.9 | 55.8 | -147 | 0 | 0 | 111.9 | E108 L110 V114 K115 H116 | E108-E112 PolarHBondContact O-N 2.96Å; E108-E112 VanDerWaalsContact O-N 3.08Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-E112 PolarHBondContact O-N 3.28Å; E112-V114 PolarHBondContact O-N 3.29Å; E112-K115 PolarHBondContact O-N 2.93Å; E112-K115 IonicContact OE2-NZ 3.5Å; E112-H116 PolarHBondContact O-N 3.07Å |
| 113 | N | 98.5 | Very high | 97.9 | Very high | 83 Ų | 83 | 104.7 Ų | 104.7 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 175.7 | -173.3 | -105.5 | 0 | 0 | 0 | 112.6 | F109 L110 H116 L117 | F109-N113 PolarHBondContact O-N 2.98Å; F109-N113 VanDerWaalsContact O-N 3.07Å; L110-N113 PolarHBondContact O-N 3.25Å; N113-H116 PolarHBondContact O-N 2.7Å; N113-L117 WeakPolarHBondContact O-CB 3.35Å; N113-L117 PolarHBondContact O-N 3Å |
| 114 | V | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 102.7 Ų | 102.7 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 176 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | L110 E111 E112 L117 A118 | L110-V114 WeakPolarHBondContact O-CG2 3.44Å; L110-V114 PolarHBondContact O-N 3.14Å; E111-V114 PolarHBondContact O-N 2.98Å; E112-V114 PolarHBondContact O-N 3.29Å; V114-L117 PolarHBondContact O-N 3.11Å; V114-A118 WeakPolarHBondContact O-CB 3.45Å; V114-A118 PolarHBondContact O-N 3.47Å |
| 115 | K | 97.4 | Very high | 97.8 | Very high | 115 Ų | 115 | 102 Ų | 102 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 174.5 | -71.5 | 172.5 | -165.5 | 165 | 0 | 111.5 | E111 E112 L117 A118 Q119 | E111-K115 WeakPolarHBondContact O-CG 3.3Å; E111-K115 PolarHBondContact O-N 3.04Å; E112-K115 PolarHBondContact O-N 2.93Å; E112-K115 IonicContact OE2-NZ 3.5Å; K115-L117 PolarHBondContact O-N 3.38Å; K115-A118 PolarHBondContact O-N 3.11Å; K115-Q119 WeakPolarHBondContact O-CG 3.37Å; K115-Q119 PolarHBondContact O-N 2.91Å |
| 116 | H | 97.9 | Very high | 97.7 | Very high | 104 Ų | 104 | 105.2 Ų | 105.2 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 177 | 178 | -90.9 | 0 | 0 | 0 | 111.7 | E112 N113 A118 Q119 E120 | E112-H116 PolarHBondContact O-N 3.07Å; N113-H116 PolarHBondContact O-N 2.7Å; H116-A118 VanDerWaalsContact C-N 3.34Å; H116-A118 PolarHBondContact O-N 2.9Å; H116-Q119 PolarHBondContact O-N 3.44Å; H116-E120 PolarHBondContact O-N 2.89Å |
| 117 | L | 98.3 | Very high | 97.4 | Very high | 101 Ų | 101 | 103.8 Ų | 103.8 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.7 | -175.7 | 59.8 | 0 | 0 | 0 | 112 | N113 V114 K115 E120 C121 | N113-L117 WeakPolarHBondContact O-CB 3.35Å; N113-L117 PolarHBondContact O-N 3Å; V114-L117 PolarHBondContact O-N 3.11Å; K115-L117 PolarHBondContact O-N 3.38Å; L117-E120 PolarHBondContact O-N 3.15Å; L117-C121 WeakPolarHBondContact O-CB 3.35Å; L117-C121 PolarHBondContact O-N 3.24Å; L117-C121 PolarHBondContact O-SG 2.92Å |
| 118 | A | 97.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 104.5 Ų | 104.5 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V114 K115 H116 C121 R122 | V114-A118 WeakPolarHBondContact O-CB 3.45Å; V114-A118 PolarHBondContact O-N 3.47Å; K115-A118 PolarHBondContact O-N 3.11Å; H116-A118 VanDerWaalsContact C-N 3.34Å; H116-A118 PolarHBondContact O-N 2.9Å; A118-C121 PolarHBondContact O-N 2.96Å; A118-R122 WeakPolarHBondContact O-CG 3.47Å; A118-R122 PolarHBondContact O-N 3.26Å |
| 119 | Q | 97.3 | Very high | 96.8 | Very high | 122 Ų | 122 | 103.7 Ų | 103.7 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 174.1 | -71.8 | 176 | -5.9 | 0 | 0 | 111.6 | K115 H116 C121 R122 K123 | K115-Q119 WeakPolarHBondContact O-CG 3.37Å; K115-Q119 PolarHBondContact O-N 2.91Å; H116-Q119 PolarHBondContact O-N 3.44Å; Q119-C121 PolarHBondContact O-N 2.9Å; Q119-R122 PolarHBondContact O-N 3.38Å; Q119-K123 WeakPolarHBondContact O-CB 3.45Å; Q119-K123 PolarHBondContact O-N 3.48Å |
| 120 | E | 97.7 | Very high | 96.2 | Very high | 56 Ų | 56 | 99.8 Ų | 99.8 | 26% | 0.262 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 177.3 | -85.9 | -68.7 | 109 | 0 | 0 | 112.6 | H116 L117 K123 K124 | H116-E120 PolarHBondContact O-N 2.89Å; L117-E120 PolarHBondContact O-N 3.15Å; E120-K123 PolarHBondContact O-N 3.08Å; E120-K123 IonicContact OE1-NZ 3.4Å; E120-K124 WeakPolarHBondContact O-CB 3.47Å; E120-K124 WeakPolarHBondContact O-CG 3.31Å; E120-K124 PolarHBondContact O-N 2.86Å; E120-K124 IonicContact OE2-NZ 2.8Å; E120-K124 PolarHBondContact OE2-NZ 3.45Å |
| 121 | C | 97.6 | Very high | 95.6 | Very high | 68 Ų | 68 | 103 Ų | 103 | 46% | 0.459 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 172.3 | -77.3 | 0 | 0 | 0 | 0 | 111.4 | L117 A118 Q119 K123 K124 T125 | L117-C121 WeakPolarHBondContact O-CB 3.35Å; L117-C121 PolarHBondContact O-N 3.24Å; L117-C121 PolarHBondContact O-SG 2.92Å; A118-C121 PolarHBondContact O-N 2.96Å; Q119-C121 PolarHBondContact O-N 2.9Å; C121-K123 VanDerWaalsContact C-N 3.33Å; C121-K123 PolarHBondContact O-N 3.42Å; C121-K124 PolarHBondContact O-N 2.91Å; C121-T125 PolarHBondContact O-N 3.04Å; C121-T125 PolarHBondContact O-OG1 3.07Å; C121-T125 VanDerWaalsContact O-OG1 3.09Å |
| 122 | R | 96.7 | Very high | 94.7 | Very high | 187 Ų | 187 | 101.7 Ų | 101.7 | 71% | 0.706 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 177.4 | -71.6 | 174.1 | -171.8 | 174 | 3.4 | 112.3 | A118 Q119 T125 R126 | A118-R122 WeakPolarHBondContact O-CG 3.47Å; A118-R122 PolarHBondContact O-N 3.26Å; Q119-R122 PolarHBondContact O-N 3.38Å; R122-T125 PolarHBondContact O-N 3.44Å; R122-R126 PolarHBondContact O-N 3.02Å |
| 123 | K | 97.7 | Very high | 93.7 | Very high | 122 Ų | 122 | 100 Ų | 100 | 53% | 0.53 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 176.7 | -175.1 | 179.5 | 176.3 | -176.5 | 0 | 111.2 | Q119 E120 C121 R126 I127 | Q119-K123 WeakPolarHBondContact O-CB 3.45Å; Q119-K123 PolarHBondContact O-N 3.48Å; E120-K123 PolarHBondContact O-N 3.08Å; E120-K123 IonicContact OE1-NZ 3.4Å; C121-K123 VanDerWaalsContact C-N 3.33Å; C121-K123 PolarHBondContact O-N 3.42Å; K123-R126 PolarHBondContact O-N 3.32Å; K123-I127 HydrophobicContact CG-CD1 4.3Å; K123-I127 WeakPolarHBondContact O-CG1 3.42Å; K123-I127 PolarHBondContact O-N 3.39Å |
| 124 | K | 97.7 | Very high | 92.4 | Very high | 109 Ų | 109 | 102 Ų | 102 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176.4 | -72.8 | 172.8 | -176.7 | 111.6 | 0 | 112.1 | E120 C121 R126 I127 I128 | E120-K124 WeakPolarHBondContact O-CB 3.47Å; E120-K124 WeakPolarHBondContact O-CG 3.31Å; E120-K124 PolarHBondContact O-N 2.86Å; E120-K124 IonicContact OE2-NZ 2.8Å; E120-K124 PolarHBondContact OE2-NZ 3.45Å; C121-K124 PolarHBondContact O-N 2.91Å; K124-R126 VanDerWaalsContact C-N 3.33Å; K124-R126 PolarHBondContact O-N 2.91Å; K124-I127 PolarHBondContact O-N 3.33Å; K124-I128 WeakPolarHBondContact O-CG1 3.45Å; K124-I128 PolarHBondContact O-N 3.04Å |
| 125 | T | 96.7 | Very high | 90.7 | Very high | 69 Ų | 69 | 101.6 Ų | 101.6 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.2 | -45.6 | 173 | -60 | 0 | 0 | 0 | 0 | 111.5 | C121 R122 I127 I128 Q129 | C121-T125 PolarHBondContact O-N 3.04Å; C121-T125 PolarHBondContact O-OG1 3.07Å; C121-T125 VanDerWaalsContact O-OG1 3.09Å; R122-T125 PolarHBondContact O-N 3.44Å; T125-I127 PolarHBondContact O-N 3.14Å; T125-I128 PolarHBondContact O-N 3.35Å; T125-Q129 HydrophobicContact CG2-CG 4.39Å; T125-Q129 WeakPolarHBondContact O-CB 3.35Å; T125-Q129 VanDerWaalsContact O-CG 3.29Å; T125-Q129 WeakPolarHBondContact O-CG 3.49Å; T125-Q129 PolarHBondContact O-N 2.97Å |
| 126 | R | 94.6 | Very high | 88.8 | Confident | 191 Ų | 191 | 102.4 Ų | 102.4 | 72% | 0.721 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 178 | -172.7 | -180 | -72.9 | 163.5 | -4.4 | 112.2 | R122 K123 K124 A130 | R122-R126 PolarHBondContact O-N 3.02Å; K123-R126 PolarHBondContact O-N 3.32Å; K124-R126 VanDerWaalsContact C-N 3.33Å; K124-R126 PolarHBondContact O-N 2.91Å; R126-A130 WeakPolarHBondContact O-CB 3.42Å; R126-A130 PolarHBondContact O-N 2.95Å |
| 127 | I | 94 | Very high | 86.6 | Confident | 82 Ų | 82 | 101 Ų | 101 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 175.6 | -68.2 | 165.7 | 0 | 0 | 0 | 110.4 | K123 K124 T125 Q129 A130 Y131 | K123-I127 HydrophobicContact CG-CD1 4.3Å; K123-I127 WeakPolarHBondContact O-CG1 3.42Å; K123-I127 PolarHBondContact O-N 3.39Å; K124-I127 PolarHBondContact O-N 3.33Å; T125-I127 PolarHBondContact O-N 3.14Å; I127-Q129 PolarHBondContact O-N 3.49Å; I127-A130 PolarHBondContact O-N 3.38Å; I127-Y131 HydrophobicContact CG2-CD2 3.65Å; I127-Y131 HydrophobicContact CG2-CE2 3.66Å; I127-Y131 VanDerWaalsContact O-CD2 3.31Å; I127-Y131 WeakPolarHBondContact O-CD2 3.37Å; I127-Y131 PolarHBondContact O-N 3.32Å |
| 128 | I | 92.2 | Very high | 84.3 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 178.7 | -68.4 | 165.8 | 0 | 0 | 0 | 110.7 | K124 T125 A130 Y131 I132 | K124-I128 WeakPolarHBondContact O-CG1 3.45Å; K124-I128 PolarHBondContact O-N 3.04Å; T125-I128 PolarHBondContact O-N 3.35Å; I128-A130 VanDerWaalsContact C-N 3.33Å; I128-A130 PolarHBondContact O-N 2.96Å; I128-Y131 PolarHBondContact O-N 3.46Å; I128-I132 HydrophobicContact CG2-CD1 3.74Å; I128-I132 HydrophobicContact CG2-CG1 4.36Å; I128-I132 WeakPolarHBondContact O-CG1 3.43Å; I128-I132 PolarHBondContact O-N 3.44Å |
| 129 | Q | 89.8 | Confident | 82.2 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 175.7 | -73.8 | 171.8 | -15 | 0 | 0 | 111.6 | T125 I127 Y131 I132 C133 | T125-Q129 HydrophobicContact CG2-CG 4.39Å; T125-Q129 WeakPolarHBondContact O-CB 3.35Å; T125-Q129 VanDerWaalsContact O-CG 3.29Å; T125-Q129 WeakPolarHBondContact O-CG 3.49Å; T125-Q129 PolarHBondContact O-N 2.97Å; I127-Q129 PolarHBondContact O-N 3.49Å; Q129-Y131 VanDerWaalsContact C-N 3.31Å; Q129-Y131 PolarHBondContact O-N 3.25Å; Q129-I132 PolarHBondContact O-N 3.1Å; Q129-C133 PolarHBondContact O-N 3.03Å; Q129-C133 PolarHBondContact O-SG 2.93Å |
| 130 | A | 85.8 | Confident | 80.2 | Confident | 43 Ų | 43 | 100.4 Ų | 100.4 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R126 I127 I128 Q134 | R126-A130 WeakPolarHBondContact O-CB 3.42Å; R126-A130 PolarHBondContact O-N 2.95Å; I127-A130 PolarHBondContact O-N 3.38Å; I128-A130 VanDerWaalsContact C-N 3.33Å; I128-A130 PolarHBondContact O-N 2.96Å; A130-Q134 VanDerWaalsContact O-CB 3.29Å; A130-Q134 WeakPolarHBondContact O-CB 3.37Å; A130-Q134 VanDerWaalsContact O-CG 3.22Å; A130-Q134 WeakPolarHBondContact O-CG 3.4Å; A130-Q134 PolarHBondContact O-N 3.07Å; A130-Q134 PolarHBondContact O-NE2 3.3Å |
| 131 | Y | 85.5 | Confident | 78 | Confident | 150 Ų | 150 | 98.5 Ų | 98.5 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.3 | -45.3 | 174.8 | -89.5 | -73.8 | 0 | 0 | 0 | 112.1 | I127 I128 Q129 C133 Q134 T135 | I127-Y131 HydrophobicContact CG2-CD2 3.65Å; I127-Y131 HydrophobicContact CG2-CE2 3.66Å; I127-Y131 VanDerWaalsContact O-CD2 3.31Å; I127-Y131 WeakPolarHBondContact O-CD2 3.37Å; I127-Y131 PolarHBondContact O-N 3.32Å; I128-Y131 PolarHBondContact O-N 3.46Å; Q129-Y131 VanDerWaalsContact C-N 3.31Å; Q129-Y131 PolarHBondContact O-N 3.25Å; Y131-C133 PolarHBondContact O-N 3.19Å; Y131-Q134 CarbonylContact O-C 3.54Å; Y131-Q134 PolarHBondContact O-N 3.31Å; Y131-T135 WeakPolarHBondContact O-CB 3.26Å; Y131-T135 WeakPolarHBondContact O-CG2 3.49Å; Y131-T135 PolarHBondContact O-N 3.03Å; Y131-T135 PolarHBondContact O-OG1 3.39Å |
| 132 | I | 80.2 | Confident | 76.2 | Confident | 78 Ų | 78 | 99.2 Ų | 99.2 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 178 | -67.9 | 166.7 | 0 | 0 | 0 | 110.1 | I128 Q129 Q134 T135 E136 | I128-I132 HydrophobicContact CG2-CD1 3.74Å; I128-I132 HydrophobicContact CG2-CG1 4.36Å; I128-I132 WeakPolarHBondContact O-CG1 3.43Å; I128-I132 PolarHBondContact O-N 3.44Å; Q129-I132 PolarHBondContact O-N 3.1Å; I132-Q134 VanDerWaalsContact C-N 3.31Å; I132-Q134 PolarHBondContact O-N 3.38Å; I132-T135 WeakPolarHBondContact CA-OG1 3.46Å; I132-T135 PolarHBondContact O-N 2.99Å; I132-T135 VanDerWaalsContact O-N 3.14Å; I132-T135 PolarHBondContact O-OG1 3.06Å; I132-E136 HydrophobicContact CG2-CG 4.4Å; I132-E136 WeakPolarHBondContact O-CB 3.46Å; I132-E136 WeakPolarHBondContact O-CG 3.39Å; I132-E136 PolarHBondContact O-N 3.46Å |
| 133 | C | 75.3 | Confident | 74.4 | Confident | 72 Ų | 72 | 98.2 Ų | 98.2 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | Q129 Y131 T137 | Q129-C133 PolarHBondContact O-N 3.03Å; Q129-C133 PolarHBondContact O-SG 2.93Å; Y131-C133 PolarHBondContact O-N 3.19Å; C133-T137 WeakPolarHBondContact O-CB 3.34Å; C133-T137 PolarHBondContact O-N 3.21Å; C133-T137 PolarHBondContact O-OG1 2.95Å |
| 134 | Q | 71.6 | Confident | 72.8 | Confident | 126 Ų | 126 | 99.4 Ų | 99.4 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.6 | -35.2 | 175.3 | -78.8 | 175.2 | 64.4 | 0 | 0 | 112.9 | A130 Y131 I132 G138 | A130-Q134 VanDerWaalsContact O-CB 3.29Å; A130-Q134 WeakPolarHBondContact O-CB 3.37Å; A130-Q134 VanDerWaalsContact O-CG 3.22Å; A130-Q134 WeakPolarHBondContact O-CG 3.4Å; A130-Q134 PolarHBondContact O-N 3.07Å; A130-Q134 PolarHBondContact O-NE2 3.3Å; Y131-Q134 CarbonylContact O-C 3.54Å; Y131-Q134 PolarHBondContact O-N 3.31Å; I132-Q134 VanDerWaalsContact C-N 3.31Å; I132-Q134 PolarHBondContact O-N 3.38Å; Q134-G138 VanDerWaalsContact O-CA 3.27Å; Q134-G138 WeakPolarHBondContact O-CA 3.36Å; Q134-G138 PolarHBondContact O-N 3.47Å |
| 135 | T | 63.5 | Low | 71.2 | Confident | 86 Ų | 86 | 98 Ų | 98 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.1 | -40.1 | 177 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | Y131 I132 A139 | Y131-T135 WeakPolarHBondContact O-CB 3.26Å; Y131-T135 WeakPolarHBondContact O-CG2 3.49Å; Y131-T135 PolarHBondContact O-N 3.03Å; Y131-T135 PolarHBondContact O-OG1 3.39Å; I132-T135 WeakPolarHBondContact CA-OG1 3.46Å; I132-T135 PolarHBondContact O-N 2.99Å; I132-T135 VanDerWaalsContact O-N 3.14Å; I132-T135 PolarHBondContact O-OG1 3.06Å; T135-A139 PolarHBondContact O-N 3.49Å |
| 136 | E | 56.9 | Low | 69.6 | Low | 132 Ų | 132 | 98.2 Ų | 98.2 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.4 | -35.6 | 176.2 | -69.6 | 177.4 | 173.1 | 0 | 0 | 111.6 | I132 T140 | I132-E136 HydrophobicContact CG2-CG 4.4Å; I132-E136 WeakPolarHBondContact O-CB 3.46Å; I132-E136 WeakPolarHBondContact O-CG 3.39Å; I132-E136 PolarHBondContact O-N 3.46Å; E136-T140 PolarHBondContact O-OG1 2.91Å |
| 137 | T | 51.5 | Low | 68.4 | Low | 74 Ų | 74 | 92.6 Ų | 92.6 | 45% | 0.454 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -82 | -29.9 | 176.6 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | C133 A141 S142 L145 | C133-T137 WeakPolarHBondContact O-CB 3.34Å; C133-T137 PolarHBondContact O-N 3.21Å; C133-T137 PolarHBondContact O-OG1 2.95Å; T137-A141 HydrophobicContact CG2-CB 3.93Å; T137-A141 WeakPolarHBondContact O-CA 3.4Å; T137-A141 WeakPolarHBondContact O-CB 3.43Å; T137-A141 PolarHBondContact O-N 3.5Å; T137-A141 VanDerWaalsContact O-N 3.11Å; T137-S142 PolarHBondContact O-N 2.99Å; T137-L145 HydrophobicContact CG2-CD1 4.09Å |
| 138 | G | 50.2 | Low | 67.1 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -80.4 | -34.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q134 | Q134-G138 VanDerWaalsContact O-CA 3.27Å; Q134-G138 WeakPolarHBondContact O-CA 3.36Å; Q134-G138 PolarHBondContact O-N 3.47Å |
| 139 | A | 53.9 | Low | 65.9 | Low | 89 Ų | 89 | 95.7 Ų | 95.7 | 74% | 0.736 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -82.4 | -26.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T135 | T135-A139 PolarHBondContact O-N 3.49Å |
| 140 | T | 54.4 | Low | 65 | Low | 116 Ų | 116 | 92.6 Ų | 92.6 | 71% | 0.712 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -126.5 | -20.1 | -176.8 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | E136 | E136-T140 PolarHBondContact O-OG1 2.91Å |
| 141 | A | 52.5 | Low | 64.1 | Low | 17 Ų | 17 | 95 Ų | 95 | 14% | 0.14 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -100.2 | -18.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T137 E143 Y144 L145 | T137-A141 HydrophobicContact CG2-CB 3.93Å; T137-A141 WeakPolarHBondContact O-CA 3.4Å; T137-A141 WeakPolarHBondContact O-CB 3.43Å; T137-A141 PolarHBondContact O-N 3.5Å; T137-A141 VanDerWaalsContact O-N 3.11Å; A141-E143 PolarHBondContact O-N 3.36Å; A141-Y144 PolarHBondContact O-N 2.89Å; A141-L145 HydrophobicContact CB-CD1 3.4Å; A141-L145 VanDerWaalsContact CB-CD1 3.4Å; A141-L145 HydrophobicContact CB-CG 3.74Å; A141-L145 WeakPolarHBondContact O-CA 3.34Å; A141-L145 WeakPolarHBondContact O-CB 3.49Å; A141-L145 WeakPolarHBondContact O-CG 3.33Å; A141-L145 PolarHBondContact O-N 3.27Å |
| 142 | S | 58.8 | Low | 63.2 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.4 | -45.9 | -177 | -171.1 | 0 | 0 | 0 | 0 | 112.9 | T137 S146 | T137-S142 PolarHBondContact O-N 2.99Å; S142-S146 WeakPolarHBondContact O-CB 3.45Å; S142-S146 PolarHBondContact O-N 3.43Å |
| 143 | E | 60.3 | Low | 62.7 | Low | 166 Ų | 166 | 92.1 Ų | 92.1 | 78% | 0.776 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -79.1 | -38.9 | -177.9 | -146.3 | 173 | -164.6 | 0 | 0 | 112.3 | A141 S147 | A141-E143 PolarHBondContact O-N 3.36Å; E143-S147 VanDerWaalsContact O-CB 3.31Å; E143-S147 WeakPolarHBondContact O-CB 3.49Å; E143-S147 PolarHBondContact O-N 3.29Å; E143-S147 PolarHBondContact O-OG 2.99Å |
| 144 | Y | 62.9 | Low | 62.3 | Low | 146 Ų | 146 | 97 Ų | 97 | 57% | 0.573 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.3 | -44.6 | 176.7 | -175.7 | -96.9 | 0 | 0 | 0 | 112.5 | A141 S147 K148 | A141-Y144 PolarHBondContact O-N 2.89Å; Y144-S147 PolarHBondContact O-N 3.4Å; Y144-K148 HydrophobicContact CD1-CG 4.09Å; Y144-K148 HydrophobicContact CE1-CD 4.5Å; Y144-K148 HydrophobicContact CE1-CG 3.76Å; Y144-K148 VanDerWaalsContact CZ-CE 3.43Å; Y144-K148 VanDerWaalsContact O-CB 3.31Å; Y144-K148 WeakPolarHBondContact O-CB 3.49Å; Y144-K148 VanDerWaalsContact O-CG 3.28Å; Y144-K148 WeakPolarHBondContact O-CG 3.36Å; Y144-K148 PolarHBondContact O-N 2.89Å; Y144-K148 WeakPolarHBondContact OH-CE 3.4Å |
| 145 | L | 63.9 | Low | 62 | Low | 79 Ų | 79 | 98.2 Ų | 98.2 | 41% | 0.414 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.9 | -33.2 | 177.7 | -63.3 | 174.5 | 0 | 0 | 0 | 111.6 | T137 A141 K149 | T137-L145 HydrophobicContact CG2-CD1 4.09Å; A141-L145 HydrophobicContact CB-CD1 3.4Å; A141-L145 VanDerWaalsContact CB-CD1 3.4Å; A141-L145 HydrophobicContact CB-CG 3.74Å; A141-L145 WeakPolarHBondContact O-CA 3.34Å; A141-L145 WeakPolarHBondContact O-CB 3.49Å; A141-L145 WeakPolarHBondContact O-CG 3.33Å; A141-L145 PolarHBondContact O-N 3.27Å; L145-K149 WeakPolarHBondContact O-CB 3.28Å; L145-K149 VanDerWaalsContact O-CG 3.3Å; L145-K149 WeakPolarHBondContact O-CG 3.37Å; L145-K149 PolarHBondContact O-N 3.37Å |
| 146 | S | 63.8 | Low | 61.8 | Low | 75 Ų | 75 | 96.9 Ų | 96.9 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 171.6 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | S142 K148 K149 A150 | S142-S146 WeakPolarHBondContact O-CB 3.45Å; S142-S146 PolarHBondContact O-N 3.43Å; S146-K148 PolarHBondContact O-N 3Å; S146-K149 PolarHBondContact O-N 2.79Å; S146-A150 WeakPolarHBondContact O-CB 3.47Å; S146-A150 PolarHBondContact O-N 3.33Å |
| 147 | S | 69.3 | Low | 62.1 | Low | 72 Ų | 72 | 96 Ų | 96 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.7 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | E143 Y144 A150 E151 | E143-S147 VanDerWaalsContact O-CB 3.31Å; E143-S147 WeakPolarHBondContact O-CB 3.49Å; E143-S147 PolarHBondContact O-N 3.29Å; E143-S147 PolarHBondContact O-OG 2.99Å; Y144-S147 PolarHBondContact O-N 3.4Å; S147-A150 PolarHBondContact O-N 3.28Å; S147-E151 WeakPolarHBondContact O-CB 3.34Å; S147-E151 PolarHBondContact O-N 3.23Å |
| 148 | K | 65.9 | Low | 62.9 | Low | 96 Ų | 96 | 96.5 Ų | 96.5 | 42% | 0.417 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 175.8 | -75.9 | -72.2 | -172.5 | -179.7 | 0 | 112.7 | Y144 S146 A150 E151 I152 | Y144-K148 HydrophobicContact CD1-CG 4.09Å; Y144-K148 HydrophobicContact CE1-CD 4.5Å; Y144-K148 HydrophobicContact CE1-CG 3.76Å; Y144-K148 VanDerWaalsContact CZ-CE 3.43Å; Y144-K148 VanDerWaalsContact O-CB 3.31Å; Y144-K148 WeakPolarHBondContact O-CB 3.49Å; Y144-K148 VanDerWaalsContact O-CG 3.28Å; Y144-K148 WeakPolarHBondContact O-CG 3.36Å; Y144-K148 PolarHBondContact O-N 2.89Å; Y144-K148 WeakPolarHBondContact OH-CE 3.4Å; S146-K148 PolarHBondContact O-N 3Å; K148-A150 VanDerWaalsContact C-N 3.34Å; K148-E151 WeakPolarHBondContact O-CB 3.34Å; K148-E151 PolarHBondContact O-N 3.01Å; K148-I152 WeakPolarHBondContact O-CB 3.49Å; K148-I152 WeakPolarHBondContact O-CD1 3.42Å; K148-I152 WeakPolarHBondContact O-CG1 3.5Å; K148-I152 PolarHBondContact O-N 2.93Å |
| 149 | K | 68.5 | Low | 63.7 | Low | 153 Ų | 153 | 100.1 Ų | 100.1 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 172.7 | -85.5 | 171.7 | 174.5 | -86.9 | 0 | 111 | L145 S146 I152 A153 | L145-K149 WeakPolarHBondContact O-CB 3.28Å; L145-K149 VanDerWaalsContact O-CG 3.3Å; L145-K149 WeakPolarHBondContact O-CG 3.37Å; L145-K149 PolarHBondContact O-N 3.37Å; S146-K149 PolarHBondContact O-N 2.79Å; K149-I152 PolarHBondContact O-N 3.21Å; K149-A153 WeakPolarHBondContact O-CB 3.29Å; K149-A153 PolarHBondContact O-N 3.17Å |
| 150 | A | 69.6 | Low | 64.2 | Low | 46 Ų | 46 | 101.3 Ų | 101.3 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | S146 S147 K148 A153 K154 | S146-A150 WeakPolarHBondContact O-CB 3.47Å; S146-A150 PolarHBondContact O-N 3.33Å; S147-A150 PolarHBondContact O-N 3.28Å; K148-A150 VanDerWaalsContact C-N 3.34Å; A150-A153 PolarHBondContact O-N 3.48Å; A150-K154 WeakPolarHBondContact O-CB 3.4Å; A150-K154 VanDerWaalsContact O-CG 3.26Å; A150-K154 WeakPolarHBondContact O-CG 3.33Å; A150-K154 PolarHBondContact O-N 2.94Å |
| 151 | E | 68.2 | Low | 64.8 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 171.8 | -89.1 | -81.8 | 132.3 | 0 | 0 | 112.5 | S147 K148 K154 R155 | S147-E151 WeakPolarHBondContact O-CB 3.34Å; S147-E151 PolarHBondContact O-N 3.23Å; K148-E151 WeakPolarHBondContact O-CB 3.34Å; K148-E151 PolarHBondContact O-N 3.01Å; E151-K154 PolarHBondContact O-N 3.42Å; E151-R155 PolarHBondContact O-N 3.27Å; E151-R155 IonicContact OE2-NH1 2.79Å |
| 152 | I | 66 | Low | 65.4 | Low | 89 Ų | 89 | 100.6 Ų | 100.6 | 46% | 0.456 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 178.9 | -70.1 | 164.4 | 0 | 0 | 0 | 110.6 | K148 K149 R155 G156 R157 | K148-I152 WeakPolarHBondContact O-CB 3.49Å; K148-I152 WeakPolarHBondContact O-CD1 3.42Å; K148-I152 WeakPolarHBondContact O-CG1 3.5Å; K148-I152 PolarHBondContact O-N 2.93Å; K149-I152 PolarHBondContact O-N 3.21Å; I152-R155 PolarHBondContact O-N 3.47Å; I152-G156 PolarHBondContact O-N 2.94Å; I152-R157 WeakPolarHBondContact CG2-O 3.43Å; I152-R157 PolarHBondContact O-N 3.05Å |
| 153 | A | 68.8 | Low | 65.5 | Low | 77 Ų | 77 | 97.9 Ų | 97.9 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K149 A150 R155 G156 | K149-A153 WeakPolarHBondContact O-CB 3.29Å; K149-A153 PolarHBondContact O-N 3.17Å; A150-A153 PolarHBondContact O-N 3.48Å; A153-R155 VanDerWaalsContact C-N 3.27Å; A153-R155 PolarHBondContact O-N 3.09Å; A153-G156 PolarHBondContact O-N 2.99Å; A153-G156 VanDerWaalsContact O-N 3.15Å |
| 154 | K | 67 | Low | 65.9 | Low | 176 Ų | 176 | 97.8 Ų | 97.8 | 77% | 0.765 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -33.6 | 176.2 | -78.9 | 176.5 | -178.9 | -178.5 | 0 | 113 | A150 E151 G156 | A150-K154 WeakPolarHBondContact O-CB 3.4Å; A150-K154 VanDerWaalsContact O-CG 3.26Å; A150-K154 WeakPolarHBondContact O-CG 3.33Å; A150-K154 PolarHBondContact O-N 2.94Å; E151-K154 PolarHBondContact O-N 3.42Å; K154-G156 PolarHBondContact O-N 3.44Å |
| 155 | R | 65.1 | Low | 65.9 | Low | 150 Ų | 150 | 92.6 Ų | 92.6 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.5 | 179.6 | -128.9 | 134.5 | -179.4 | 151.3 | 2.5 | 113.7 | E151 I152 A153 R157 | E151-R155 PolarHBondContact O-N 3.27Å; E151-R155 IonicContact OE2-NH1 2.79Å; I152-R155 PolarHBondContact O-N 3.47Å; A153-R155 VanDerWaalsContact C-N 3.27Å; A153-R155 PolarHBondContact O-N 3.09Å; R155-R157 HydrophobicContact CB-CB 4.48Å; R155-R157 HydrophobicContact CB-CG 4.26Å; R155-R157 VanDerWaalsContact CD-NH2 3.25Å; R155-R157 VanDerWaalsContact NE-NH2 3.15Å; R155-R157 WeakPolarHBondContact O-CG 3.4Å; R155-R157 PolarHBondContact O-N 2.91Å; R155-R157 VanDerWaalsContact O-N 3.08Å |
| 156 | G | 60.4 | Low | 65.5 | Low | 58 Ų | 58 | 94.7 Ų | 94.7 | 60% | 0.598 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 8.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I152 A153 K154 T158 | I152-G156 PolarHBondContact O-N 2.94Å; A153-G156 PolarHBondContact O-N 2.99Å; A153-G156 VanDerWaalsContact O-N 3.15Å; K154-G156 PolarHBondContact O-N 3.44Å; G156-T158 PolarHBondContact O-N 3.26Å |
| 157 | R | 63.9 | Low | 65.2 | Low | 114 Ų | 114 | 93.3 Ų | 93.3 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | trans | -92.8 | 91.1 | -173.9 | -67.1 | -165.1 | -70 | -145.8 | 5.5 | 109.4 | I152 R155 N162 | I152-R157 WeakPolarHBondContact CG2-O 3.43Å; I152-R157 PolarHBondContact O-N 3.05Å; R155-R157 HydrophobicContact CB-CB 4.48Å; R155-R157 HydrophobicContact CB-CG 4.26Å; R155-R157 VanDerWaalsContact CD-NH2 3.25Å; R155-R157 VanDerWaalsContact NE-NH2 3.15Å; R155-R157 WeakPolarHBondContact O-CG 3.4Å; R155-R157 PolarHBondContact O-N 2.91Å; R155-R157 VanDerWaalsContact O-N 3.08Å; R157-N162 WeakPolarHBondContact CD-OD1 3.37Å | ||
| 158 | T | 68.1 | Low | 64.4 | Low | 85 Ų | 85 | 96.1 Ų | 96.1 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | trans | -61.1 | 159.8 | 167.1 | 62.9 | 0 | 0 | 0 | 0 | 110.1 | G156 M160 S161 N162 | G156-T158 PolarHBondContact O-N 3.26Å; T158-M160 PolarHBondContact O-N 2.96Å; T158-M160 VanDerWaalsContact O-N 3.17Å; T158-S161 WeakPolarHBondContact O-CB 3.33Å; T158-S161 PolarHBondContact O-N 3.39Å; T158-S161 WeakPolarHBondContact OG1-CB 3.36Å; T158-S161 PolarHBondContact OG1-N 3.44Å; T158-S161 VanDerWaalsContact OG1-N 3.14Å; T158-N162 PolarHBondContact O-N 3.48Å; T158-N162 VanDerWaalsContact O-N 3.14Å; T158-N162 PolarHBondContact O-ND2 3.25Å | ||
| 159 | L | 65.4 | Low | 64.1 | Low | 122 Ų | 122 | 96.3 Ų | 96.3 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -54.1 | -36.6 | 176.1 | -163.6 | 74 | 0 | 0 | 0 | 111.2 | N162 L163 | L159-N162 PolarHBondContact O-N 3.47Å; L159-L163 PolarHBondContact O-N 3.02Å |
| 160 | M | 66 | Low | 63.7 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.5 | -40.2 | 174 | -69.5 | -154.6 | -71.8 | 0 | 0 | 113.2 | T158 N162 L163 F164 | T158-M160 PolarHBondContact O-N 2.96Å; T158-M160 VanDerWaalsContact O-N 3.17Å; M160-N162 VanDerWaalsContact C-N 3.26Å; M160-N162 PolarHBondContact O-N 2.99Å; M160-L163 PolarHBondContact O-N 3.41Å; M160-L163 VanDerWaalsContact O-N 3.07Å; M160-F164 HydrophobicContact CB-CD2 4.17Å; M160-F164 HydrophobicContact CB-CE2 4.34Å; M160-F164 HydrophobicContact CG-CE2 4.45Å; M160-F164 VanDerWaalsContact O-CD2 3.27Å; M160-F164 WeakPolarHBondContact O-CD2 3.31Å; M160-F164 PolarHBondContact O-N 2.91Å; M160-F164 HydrophobicContact SD-CE2 4.34Å |
| 161 | S | 66.5 | Low | 63.4 | Low | 52 Ų | 52 | 97.5 Ų | 97.5 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -32.9 | 177.1 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | T158 G165 | T158-S161 WeakPolarHBondContact O-CB 3.33Å; T158-S161 PolarHBondContact O-N 3.39Å; T158-S161 WeakPolarHBondContact OG1-CB 3.36Å; T158-S161 PolarHBondContact OG1-N 3.44Å; T158-S161 VanDerWaalsContact OG1-N 3.14Å; S161-G165 WeakPolarHBondContact O-CA 3.37Å; S161-G165 PolarHBondContact O-N 3.34Å |
| 162 | N | 64.5 | Low | 63.2 | Low | 66 Ų | 66 | 101.1 Ų | 101.1 | 35% | 0.353 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75.1 | -27.1 | 174.3 | -66.6 | -50.8 | 0 | 0 | 0 | 113.1 | R157 T158 L159 M160 | R157-N162 WeakPolarHBondContact CD-OD1 3.37Å; T158-N162 PolarHBondContact O-N 3.48Å; T158-N162 VanDerWaalsContact O-N 3.14Å; T158-N162 PolarHBondContact O-ND2 3.25Å; L159-N162 PolarHBondContact O-N 3.47Å; M160-N162 VanDerWaalsContact C-N 3.26Å; M160-N162 PolarHBondContact O-N 2.99Å |
| 163 | L | 62.1 | Low | 63.3 | Low | 26 Ų | 26 | 102.1 Ų | 102.1 | 14% | 0.136 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -82 | -41.9 | -178.1 | -143.3 | 77.4 | 0 | 0 | 0 | 112.4 | L159 M160 L177 A178 M181 | L159-L163 PolarHBondContact O-N 3.02Å; M160-L163 PolarHBondContact O-N 3.41Å; M160-L163 VanDerWaalsContact O-N 3.07Å; L163-L177 HydrophobicContact CD1-CB 4.12Å; L163-L177 HydrophobicContact CD1-CD2 3.46Å; L163-L177 VanDerWaalsContact CD1-CD2 3.46Å; L163-L177 HydrophobicContact CD1-CG 3.67Å; L163-A178 HydrophobicContact CD2-CB 4.14Å; L163-A178 HydrophobicContact CG-CB 4.38Å; L163-M181 HydrophobicContact CD1-SD 4.47Å; L163-M181 HydrophobicContact CD2-CE 3.98Å; L163-M181 HydrophobicContact CD2-SD 3.41Å; L163-M181 WeakPolarHBondContact CD2-SD 3.25Å |
| 164 | F | 67.9 | Low | 63.5 | Low | 164 Ų | 164 | 100.3 Ų | 100.3 | 72% | 0.719 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -95.3 | -11.4 | 178.5 | -62.2 | -70.1 | 0 | 0 | 0 | 113.1 | M160 | M160-F164 HydrophobicContact CB-CD2 4.17Å; M160-F164 HydrophobicContact CB-CE2 4.34Å; M160-F164 HydrophobicContact CG-CE2 4.45Å; M160-F164 VanDerWaalsContact O-CD2 3.27Å; M160-F164 WeakPolarHBondContact O-CD2 3.31Å; M160-F164 PolarHBondContact O-N 2.91Å; M160-F164 HydrophobicContact SD-CE2 4.34Å |
| 165 | G | 63.6 | Low | 64.2 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 38% | 0.381 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -73.8 | 126.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S161 G167 | S161-G165 WeakPolarHBondContact O-CA 3.37Å; S161-G165 PolarHBondContact O-N 3.34Å; G165-G167 PolarHBondContact O-N 3.47Å |
| 166 | S | 54.8 | Low | 65 | Low | 122 Ų | 122 | 96.6 Ų | 96.6 | 85% | 0.853 | 54% | 0.536 | S | S | * | . | trans | -68.5 | 63.3 | 178.6 | 177.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 167 | G | 57.4 | Low | 66.1 | Low | 47 Ų | 47 | 96.8 Ų | 96.8 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | trans | -111.8 | 104 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G165 S169 | G165-G167 PolarHBondContact O-N 3.47Å; G167-S169 VanDerWaalsContact C-N 3.27Å; G167-S169 PolarHBondContact O-N 3.02Å | ||
| 168 | L | 52.7 | Low | 66.9 | Low | 130 Ų | 130 | 92.7 Ų | 92.7 | 68% | 0.681 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 12.9 | -160.6 | -64.3 | 166.9 | 0 | 0 | 0 | 118 | ||
| 169 | S | 58.9 | Low | 67.9 | Low | 101 Ų | 101 | 93.5 Ų | 93.5 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -19.8 | -170.9 | 69.1 | 0 | 0 | 0 | 0 | 116.2 | G167 | G167-S169 VanDerWaalsContact C-N 3.27Å; G167-S169 PolarHBondContact O-N 3.02Å |
| 170 | N | 60.6 | Low | 69 | Low | 81 Ų | 81 | 92.1 Ų | 92.1 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | trans | -130.5 | 37.7 | -173.4 | -68.7 | -27.4 | 0 | 0 | 0 | 112.6 | E172 I173 N174 | N170-E172 VanDerWaalsContact C-N 3.32Å; N170-E172 PolarHBondContact O-N 3.22Å; N170-I173 HydrophobicContact CB-CB 4.45Å; N170-I173 PolarHBondContact O-N 3.43Å; N170-N174 WeakPolarHBondContact O-CB 3.44Å; N170-N174 VanDerWaalsContact O-CG 3.27Å; N170-N174 PolarHBondContact O-N 2.9Å | ||
| 171 | K | 63.8 | Low | 70.1 | Confident | 142 Ų | 142 | 88.3 Ų | 88.3 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.3 | -42.7 | -172.2 | -71.3 | -175 | 179 | -179.9 | 0 | 113.6 | L175 | K171-L175 VanDerWaalsContact O-CB 3.31Å; K171-L175 WeakPolarHBondContact O-CB 3.32Å; K171-L175 PolarHBondContact O-N 3.38Å |
| 172 | E | 64.5 | Low | 71.2 | Confident | 170 Ų | 170 | 92 Ų | 92 | 79% | 0.794 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.4 | -47.5 | -179.7 | -69.9 | 178.8 | 173.3 | 0 | 0 | 112 | N170 N174 L175 E176 | N170-E172 VanDerWaalsContact C-N 3.32Å; N170-E172 PolarHBondContact O-N 3.22Å; E172-N174 VanDerWaalsContact C-N 3.32Å; E172-N174 PolarHBondContact O-N 3.25Å; E172-L175 PolarHBondContact O-N 3.49Å; E172-E176 PolarHBondContact O-N 2.73Å |
| 173 | I | 67.4 | Low | 72.7 | Confident | 110 Ų | 110 | 97.9 Ų | 97.9 | 56% | 0.564 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 177.2 | -59.4 | 171.1 | 0 | 0 | 0 | 110.9 | N170 L177 | N170-I173 HydrophobicContact CB-CB 4.45Å; N170-I173 PolarHBondContact O-N 3.43Å; I173-L177 WeakPolarHBondContact O-CB 3.36Å; I173-L177 PolarHBondContact O-N 3.42Å; I173-L177 VanDerWaalsContact O-N 3.09Å |
| 174 | N | 73.1 | Confident | 74.3 | Confident | 39 Ų | 39 | 102.1 Ų | 102.1 | 21% | 0.209 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -67.8 | -35 | 176 | -77 | -13.6 | 0 | 0 | 0 | 111.9 | N170 E172 A178 | N170-N174 WeakPolarHBondContact O-CB 3.44Å; N170-N174 VanDerWaalsContact O-CG 3.27Å; N170-N174 PolarHBondContact O-N 2.9Å; E172-N174 VanDerWaalsContact C-N 3.32Å; E172-N174 PolarHBondContact O-N 3.25Å; N174-A178 WeakPolarHBondContact O-CB 3.22Å; N174-A178 PolarHBondContact O-N 2.96Å |
| 175 | L | 82.1 | Confident | 75.6 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.3 | -47.3 | 176.5 | 179.1 | 65.3 | 0 | 0 | 0 | 111.3 | K171 E172 L177 A178 L179 | K171-L175 VanDerWaalsContact O-CB 3.31Å; K171-L175 WeakPolarHBondContact O-CB 3.32Å; K171-L175 PolarHBondContact O-N 3.38Å; E172-L175 PolarHBondContact O-N 3.49Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.32Å; L175-A178 PolarHBondContact O-N 3.41Å; L175-L179 HydrophobicContact CD1-CD1 4.44Å; L175-L179 HydrophobicContact CD1-CG 4.31Å; L175-L179 HydrophobicContact CG-CD1 4.2Å; L175-L179 HydrophobicContact CG-CG 4.47Å; L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 WeakPolarHBondContact O-CG 3.29Å; L175-L179 PolarHBondContact O-N 3.5Å |
| 176 | E | 82.6 | Confident | 77.2 | Confident | 144 Ų | 144 | 103.4 Ų | 103.4 | 67% | 0.673 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 177.2 | -173.5 | 175.4 | -169.3 | 0 | 0 | 111.1 | E172 A178 L179 E180 | E172-E176 PolarHBondContact O-N 2.73Å; E176-A178 PolarHBondContact O-N 2.86Å; E176-L179 PolarHBondContact O-N 3.29Å; E176-E180 PolarHBondContact O-N 2.94Å |
| 177 | L | 81.6 | Confident | 79.2 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 33% | 0.325 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 175.3 | -179.4 | 59.8 | 0 | 0 | 0 | 112.2 | L163 I173 L175 E180 M181 | L163-L177 HydrophobicContact CD1-CB 4.12Å; L163-L177 HydrophobicContact CD1-CD2 3.46Å; L163-L177 VanDerWaalsContact CD1-CD2 3.46Å; L163-L177 HydrophobicContact CD1-CG 3.67Å; I173-L177 WeakPolarHBondContact O-CB 3.36Å; I173-L177 PolarHBondContact O-N 3.42Å; I173-L177 VanDerWaalsContact O-N 3.09Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.32Å; L177-E180 PolarHBondContact O-N 3.01Å; L177-M181 HydrophobicContact CD1-CG 4.42Å; L177-M181 HydrophobicContact CG-SD 4.37Å; L177-M181 WeakPolarHBondContact O-CB 3.5Å; L177-M181 WeakPolarHBondContact O-CG 3.39Å; L177-M181 PolarHBondContact O-N 2.64Å |
| 178 | A | 81.3 | Confident | 81.1 | Confident | 28 Ų | 28 | 103.5 Ų | 103.5 | 23% | 0.231 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L163 N174 L175 E176 M181 M182 | L163-A178 HydrophobicContact CD2-CB 4.14Å; L163-A178 HydrophobicContact CG-CB 4.38Å; N174-A178 WeakPolarHBondContact O-CB 3.22Å; N174-A178 PolarHBondContact O-N 2.96Å; L175-A178 PolarHBondContact O-N 3.41Å; E176-A178 PolarHBondContact O-N 2.86Å; A178-M181 PolarHBondContact O-N 3.46Å; A178-M182 WeakPolarHBondContact O-CB 3.35Å; A178-M182 WeakPolarHBondContact O-CG 3.46Å; A178-M182 PolarHBondContact O-N 3.03Å |
| 179 | L | 89.4 | Confident | 83.3 | Confident | 103 Ų | 103 | 102.5 Ų | 102.5 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 175.5 | -71.4 | 175 | 0 | 0 | 0 | 111.5 | L175 E176 M182 R183 | L175-L179 HydrophobicContact CD1-CD1 4.44Å; L175-L179 HydrophobicContact CD1-CG 4.31Å; L175-L179 HydrophobicContact CG-CD1 4.2Å; L175-L179 HydrophobicContact CG-CG 4.47Å; L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 WeakPolarHBondContact O-CG 3.29Å; L175-L179 PolarHBondContact O-N 3.5Å; E176-L179 PolarHBondContact O-N 3.29Å; L179-M182 PolarHBondContact O-N 2.95Å; L179-R183 WeakPolarHBondContact O-CB 3.26Å; L179-R183 PolarHBondContact O-N 3.43Å |
| 180 | E | 88.9 | Confident | 85.2 | Confident | 93 Ų | 93 | 102.8 Ų | 102.8 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.4 | -166.6 | -174.7 | 173.9 | 0 | 0 | 111.5 | E176 L177 R183 K184 | E176-E180 PolarHBondContact O-N 2.94Å; L177-E180 PolarHBondContact O-N 3.01Å; E180-R183 PolarHBondContact O-N 3.38Å; E180-K184 HydrophobicContact CG-CD 4.44Å; E180-K184 WeakPolarHBondContact O-CG 3.29Å; E180-K184 PolarHBondContact O-N 3.3Å; E180-K184 WeakPolarHBondContact OE1-CE 3.32Å; E180-K184 IonicContact OE1-NZ 3.98Å; E180-K184 PolarHBondContact OE1-NZ 3.47Å |
| 181 | M | 87.6 | Confident | 86.9 | Confident | 34 Ų | 34 | 102.3 Ų | 102.3 | 17% | 0.167 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.8 | -75.8 | -178 | 59.1 | 0 | 0 | 112 | L163 L177 A178 R183 K184 F185 | L163-M181 HydrophobicContact CD1-SD 4.47Å; L163-M181 HydrophobicContact CD2-CE 3.98Å; L163-M181 HydrophobicContact CD2-SD 3.41Å; L163-M181 WeakPolarHBondContact CD2-SD 3.25Å; L177-M181 HydrophobicContact CD1-CG 4.42Å; L177-M181 HydrophobicContact CG-SD 4.37Å; L177-M181 WeakPolarHBondContact O-CB 3.5Å; L177-M181 WeakPolarHBondContact O-CG 3.39Å; L177-M181 PolarHBondContact O-N 2.64Å; A178-M181 PolarHBondContact O-N 3.46Å; M181-R183 VanDerWaalsContact C-N 3.32Å; M181-R183 PolarHBondContact O-N 3.25Å; M181-K184 PolarHBondContact O-N 2.93Å; M181-F185 HydrophobicContact CB-CE2 4.33Å; M181-F185 HydrophobicContact CE-CE2 3.98Å; M181-F185 HydrophobicContact CE-CZ 3.99Å; M181-F185 WeakPolarHBondContact O-CB 3.39Å; M181-F185 VanDerWaalsContact O-CD2 3.26Å; M181-F185 WeakPolarHBondContact O-CD2 3.18Å; M181-F185 VanDerWaalsContact O-CG 3.32Å; M181-F185 WeakPolarHBondContact O-CG 3.16Å; M181-F185 PolarHBondContact O-N 2.91Å |
| 182 | M | 91.3 | Very high | 88.6 | Confident | 129 Ų | 129 | 98.4 Ų | 98.4 | 64% | 0.635 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.9 | -44.8 | 174.7 | -76.6 | -177.9 | 65.1 | 0 | 0 | 111.4 | A178 L179 K184 F185 Q186 | A178-M182 WeakPolarHBondContact O-CB 3.35Å; A178-M182 WeakPolarHBondContact O-CG 3.46Å; A178-M182 PolarHBondContact O-N 3.03Å; L179-M182 PolarHBondContact O-N 2.95Å; M182-K184 PolarHBondContact O-N 3.31Å; M182-F185 PolarHBondContact O-N 2.94Å; M182-Q186 WeakPolarHBondContact O-CB 3.27Å; M182-Q186 PolarHBondContact O-N 3.09Å |
| 183 | R | 95.1 | Very high | 90.2 | Very high | 190 Ų | 190 | 96 Ų | 96 | 72% | 0.717 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.3 | -44.6 | 176.2 | -175.3 | -178.8 | 176.1 | 133.1 | 2.3 | 111.8 | L179 E180 M181 Q186 V187 | L179-R183 WeakPolarHBondContact O-CB 3.26Å; L179-R183 PolarHBondContact O-N 3.43Å; E180-R183 PolarHBondContact O-N 3.38Å; M181-R183 VanDerWaalsContact C-N 3.32Å; M181-R183 PolarHBondContact O-N 3.25Å; R183-Q186 PolarHBondContact O-N 2.86Å; R183-V187 WeakPolarHBondContact O-CG2 3.42Å; R183-V187 PolarHBondContact O-N 3.24Å; R183-V187 VanDerWaalsContact O-N 3.08Å |
| 184 | K | 95.6 | Very high | 91.7 | Very high | 114 Ų | 114 | 95.6 Ų | 95.6 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 177.1 | -74.5 | 175.6 | -177 | 166.9 | 0 | 111.7 | E180 M181 M182 V187 V188 | E180-K184 HydrophobicContact CG-CD 4.44Å; E180-K184 WeakPolarHBondContact O-CG 3.29Å; E180-K184 PolarHBondContact O-N 3.3Å; E180-K184 WeakPolarHBondContact OE1-CE 3.32Å; E180-K184 IonicContact OE1-NZ 3.98Å; E180-K184 PolarHBondContact OE1-NZ 3.47Å; M181-K184 PolarHBondContact O-N 2.93Å; M182-K184 PolarHBondContact O-N 3.31Å; K184-V187 PolarHBondContact O-N 2.85Å; K184-V188 WeakPolarHBondContact O-CG2 3.32Å; K184-V188 PolarHBondContact O-N 3.41Å |
| 185 | F | 96.5 | Very high | 92.9 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 175.1 | -70.5 | -37.3 | 0 | 0 | 0 | 112.1 | M181 M182 V187 V188 L189 | M181-F185 HydrophobicContact CB-CE2 4.33Å; M181-F185 HydrophobicContact CE-CE2 3.98Å; M181-F185 HydrophobicContact CE-CZ 3.99Å; M181-F185 WeakPolarHBondContact O-CB 3.39Å; M181-F185 VanDerWaalsContact O-CD2 3.26Å; M181-F185 WeakPolarHBondContact O-CD2 3.18Å; M181-F185 VanDerWaalsContact O-CG 3.32Å; M181-F185 WeakPolarHBondContact O-CG 3.16Å; M181-F185 PolarHBondContact O-N 2.91Å; M182-F185 PolarHBondContact O-N 2.94Å; F185-V187 PolarHBondContact O-N 2.9Å; F185-V188 PolarHBondContact O-N 2.87Å; F185-L189 WeakPolarHBondContact O-CB 3.33Å; F185-L189 VanDerWaalsContact O-CG 3.25Å; F185-L189 WeakPolarHBondContact O-CG 3.47Å; F185-L189 PolarHBondContact O-N 3.04Å |
| 186 | Q | 97 | Very high | 93.6 | Very high | 112 Ų | 112 | 98.8 Ų | 98.8 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -48 | 174.7 | 179.8 | 174.4 | -10.6 | 0 | 0 | 111.4 | M182 R183 V188 L189 E190 | M182-Q186 WeakPolarHBondContact O-CB 3.27Å; M182-Q186 PolarHBondContact O-N 3.09Å; R183-Q186 PolarHBondContact O-N 2.86Å; Q186-V188 VanDerWaalsContact C-N 3.35Å; Q186-V188 PolarHBondContact O-N 3.48Å; Q186-L189 PolarHBondContact O-N 3.25Å; Q186-E190 HydrophobicContact CG-CG 4.39Å; Q186-E190 VanDerWaalsContact CG-OE1 3.26Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.48Å; Q186-E190 PolarHBondContact NE2-OE1 2.76Å; Q186-E190 WeakPolarHBondContact O-CB 3.48Å; Q186-E190 WeakPolarHBondContact O-CG 3.39Å; Q186-E190 PolarHBondContact O-N 3.43Å |
| 187 | V | 96.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 97.1 Ų | 97.1 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 112 | R183 K184 F185 E190 D191 | R183-V187 WeakPolarHBondContact O-CG2 3.42Å; R183-V187 PolarHBondContact O-N 3.24Å; R183-V187 VanDerWaalsContact O-N 3.08Å; K184-V187 PolarHBondContact O-N 2.85Å; F185-V187 PolarHBondContact O-N 2.9Å; V187-E190 PolarHBondContact O-N 3.21Å; V187-D191 WeakPolarHBondContact O-CB 3.45Å; V187-D191 PolarHBondContact O-N 3.19Å |
| 188 | V | 97.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 97.9 Ų | 97.9 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 178.5 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | K184 F185 Q186 T192 | K184-V188 WeakPolarHBondContact O-CG2 3.32Å; K184-V188 PolarHBondContact O-N 3.41Å; F185-V188 PolarHBondContact O-N 2.87Å; Q186-V188 VanDerWaalsContact C-N 3.35Å; Q186-V188 PolarHBondContact O-N 3.48Å; V188-T192 WeakPolarHBondContact O-CB 3.42Å; V188-T192 PolarHBondContact O-N 3.48Å; V188-T192 PolarHBondContact O-OG1 3.18Å |
| 189 | L | 98.2 | Very high | 95.9 | Very high | 109 Ų | 109 | 101.5 Ų | 101.5 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.1 | -43.9 | 176.8 | -73.5 | 171.7 | 0 | 0 | 0 | 111.4 | F185 Q186 T192 L193 | F185-L189 WeakPolarHBondContact O-CB 3.33Å; F185-L189 VanDerWaalsContact O-CG 3.25Å; F185-L189 WeakPolarHBondContact O-CG 3.47Å; F185-L189 PolarHBondContact O-N 3.04Å; Q186-L189 PolarHBondContact O-N 3.25Å; L189-T192 PolarHBondContact O-N 2.99Å; L189-L193 WeakPolarHBondContact O-CB 3.39Å; L189-L193 VanDerWaalsContact O-CG 3.29Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3Å |
| 190 | E | 98 | Very high | 96.4 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.4 | -74.5 | 172.9 | -171.4 | 0 | 0 | 111.3 | Q186 V187 T192 L193 L194 | Q186-E190 HydrophobicContact CG-CG 4.39Å; Q186-E190 VanDerWaalsContact CG-OE1 3.26Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.48Å; Q186-E190 PolarHBondContact NE2-OE1 2.76Å; Q186-E190 WeakPolarHBondContact O-CB 3.48Å; Q186-E190 WeakPolarHBondContact O-CG 3.39Å; Q186-E190 PolarHBondContact O-N 3.43Å; V187-E190 PolarHBondContact O-N 3.21Å; E190-T192 PolarHBondContact O-N 3.4Å; E190-L193 PolarHBondContact O-N 3.29Å; E190-L194 WeakPolarHBondContact O-CB 3.26Å; E190-L194 PolarHBondContact O-N 2.98Å |
| 191 | D | 97.7 | Very high | 96.8 | Very high | 70 Ų | 70 | 103.9 Ų | 103.9 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.7 | 175.3 | 68.8 | 0 | 0 | 0 | 112.4 | V187 L194 K195 | V187-D191 WeakPolarHBondContact O-CB 3.45Å; V187-D191 PolarHBondContact O-N 3.19Å; D191-L194 PolarHBondContact O-N 3.46Å; D191-K195 WeakPolarHBondContact O-CG 3.42Å; D191-K195 PolarHBondContact O-N 3.26Å; D191-K195 WeakPolarHBondContact OD1-CE 3.21Å; D191-K195 IonicContact OD1-NZ 3.68Å; D191-K195 VanDerWaalsContact OD2-CE 3.28Å; D191-K195 WeakPolarHBondContact OD2-CE 3.3Å; D191-K195 IonicContact OD2-NZ 3.54Å; D191-K195 PolarHBondContact OD2-NZ 3.37Å |
| 192 | T | 98 | Very high | 97.3 | Very high | 61 Ų | 61 | 106.8 Ų | 106.8 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | V188 L189 E190 K195 N196 | V188-T192 WeakPolarHBondContact O-CB 3.42Å; V188-T192 PolarHBondContact O-N 3.48Å; V188-T192 PolarHBondContact O-OG1 3.18Å; L189-T192 PolarHBondContact O-N 2.99Å; E190-T192 PolarHBondContact O-N 3.4Å; T192-K195 PolarHBondContact O-N 2.86Å; T192-N196 WeakPolarHBondContact O-CB 3.06Å; T192-N196 VanDerWaalsContact O-CG 3.27Å; T192-N196 PolarHBondContact O-N 2.86Å; T192-N196 PolarHBondContact O-ND2 3.37Å |
| 193 | L | 98.4 | Very high | 97.6 | Very high | 119 Ų | 119 | 105.1 Ų | 105.1 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 177.1 | -73.6 | 175.3 | 0 | 0 | 0 | 111.5 | L189 E190 N196 L197 | L189-L193 WeakPolarHBondContact O-CB 3.39Å; L189-L193 VanDerWaalsContact O-CG 3.29Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3Å; E190-L193 PolarHBondContact O-N 3.29Å; L193-N196 PolarHBondContact O-N 2.88Å; L193-L197 WeakPolarHBondContact O-CB 3.08Å; L193-L197 PolarHBondContact O-N 3.08Å |
| 194 | L | 98.4 | Very high | 97.8 | Very high | 101 Ų | 101 | 101.2 Ų | 101.2 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.2 | -174.1 | 65.7 | 0 | 0 | 0 | 111.6 | E190 D191 N196 L197 I198 | E190-L194 WeakPolarHBondContact O-CB 3.26Å; E190-L194 PolarHBondContact O-N 2.98Å; D191-L194 PolarHBondContact O-N 3.46Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 2.83Å; L194-L197 WeakPolarHBondContact O-CB 3Å; L194-L197 PolarHBondContact O-N 2.92Å; L194-I198 HydrophobicContact CG-CD1 4.23Å; L194-I198 WeakPolarHBondContact O-CG1 3.33Å; L194-I198 PolarHBondContact O-N 3.24Å |
| 195 | K | 98.5 | Very high | 97.9 | Very high | 121 Ų | 121 | 99.5 Ų | 99.5 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 174.8 | -75 | 168.9 | -179.7 | 165.3 | 0 | 112.2 | D191 T192 I198 L199 | D191-K195 WeakPolarHBondContact O-CG 3.42Å; D191-K195 PolarHBondContact O-N 3.26Å; D191-K195 WeakPolarHBondContact OD1-CE 3.21Å; D191-K195 IonicContact OD1-NZ 3.68Å; D191-K195 VanDerWaalsContact OD2-CE 3.28Å; D191-K195 WeakPolarHBondContact OD2-CE 3.3Å; D191-K195 IonicContact OD2-NZ 3.54Å; D191-K195 PolarHBondContact OD2-NZ 3.37Å; T192-K195 PolarHBondContact O-N 2.86Å; K195-I198 PolarHBondContact O-N 2.71Å; K195-L199 WeakPolarHBondContact O-CB 3.39Å; K195-L199 PolarHBondContact O-N 3.3Å |
| 196 | N | 97.6 | Very high | 98 | Very high | 90 Ų | 90 | 99.1 Ų | 99.1 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 177.6 | -73.8 | -14.7 | 0 | 0 | 0 | 112.4 | T192 L193 L194 L199 K200 | T192-N196 WeakPolarHBondContact O-CB 3.06Å; T192-N196 VanDerWaalsContact O-CG 3.27Å; T192-N196 PolarHBondContact O-N 2.86Å; T192-N196 PolarHBondContact O-ND2 3.37Å; L193-N196 PolarHBondContact O-N 2.88Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 2.83Å; N196-L199 PolarHBondContact O-N 2.74Å; N196-K200 WeakPolarHBondContact O-CB 3Å; N196-K200 PolarHBondContact O-N 2.89Å |
| 197 | L | 97.9 | Very high | 98 | Very high | 108 Ų | 108 | 95.3 Ų | 95.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -49.3 | 174.4 | -177.1 | 68.5 | 0 | 0 | 0 | 111.2 | L193 L194 L199 K200 E201 | L193-L197 WeakPolarHBondContact O-CB 3.08Å; L193-L197 PolarHBondContact O-N 3.08Å; L194-L197 WeakPolarHBondContact O-CB 3Å; L194-L197 PolarHBondContact O-N 2.92Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 2.97Å; L197-K200 WeakPolarHBondContact O-CB 3.32Å; L197-K200 PolarHBondContact O-N 3.14Å; L197-E201 PolarHBondContact O-N 3.27Å |
| 198 | I | 98 | Very high | 98.1 | Very high | 79 Ų | 79 | 97.7 Ų | 97.7 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.9 | -65.7 | 165.7 | 0 | 0 | 0 | 110.9 | L194 K195 K200 E201 N202 | L194-I198 HydrophobicContact CG-CD1 4.23Å; L194-I198 WeakPolarHBondContact O-CG1 3.33Å; L194-I198 PolarHBondContact O-N 3.24Å; K195-I198 PolarHBondContact O-N 2.71Å; I198-K200 VanDerWaalsContact C-N 3.32Å; I198-K200 PolarHBondContact O-N 3.35Å; I198-E201 PolarHBondContact O-N 3.49Å; I198-N202 WeakPolarHBondContact O-CB 3.47Å; I198-N202 VanDerWaalsContact O-CG 3.27Å; I198-N202 PolarHBondContact O-N 3.14Å |
| 199 | L | 98.2 | Very high | 98.1 | Very high | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 176.4 | -176.4 | 63.8 | 0 | 0 | 0 | 111.4 | K195 N196 L197 N202 V203 | K195-L199 WeakPolarHBondContact O-CB 3.39Å; K195-L199 PolarHBondContact O-N 3.3Å; N196-L199 PolarHBondContact O-N 2.74Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 2.97Å; L199-N202 PolarHBondContact O-N 2.85Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 3.41Å |
| 200 | K | 98.5 | Very high | 98.1 | Very high | 131 Ų | 131 | 96.7 Ų | 96.7 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 175.6 | -176.8 | -176.4 | 175.7 | -172.9 | 0 | 111.5 | N196 L197 I198 V203 Q204 | N196-K200 WeakPolarHBondContact O-CB 3Å; N196-K200 PolarHBondContact O-N 2.89Å; L197-K200 WeakPolarHBondContact O-CB 3.32Å; L197-K200 PolarHBondContact O-N 3.14Å; I198-K200 VanDerWaalsContact C-N 3.32Å; I198-K200 PolarHBondContact O-N 3.35Å; K200-V203 PolarHBondContact O-N 2.81Å; K200-Q204 WeakPolarHBondContact O-CG 3.2Å; K200-Q204 PolarHBondContact O-N 3.32Å |
| 201 | E | 98.1 | Very high | 98.1 | Very high | 114 Ų | 114 | 95 Ų | 95 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 176.1 | -174.9 | 177.7 | -176.6 | 0 | 0 | 111.5 | L197 I198 V203 Q204 T205 | L197-E201 PolarHBondContact O-N 3.27Å; I198-E201 PolarHBondContact O-N 3.49Å; E201-V203 VanDerWaalsContact C-N 3.34Å; E201-V203 PolarHBondContact O-N 3.45Å; E201-Q204 WeakPolarHBondContact O-CB 3.41Å; E201-Q204 PolarHBondContact O-N 2.9Å; E201-Q204 VanDerWaalsContact O-N 3.11Å; E201-T205 PolarHBondContact O-N 3.35Å; E201-T205 PolarHBondContact O-OG1 3.33Å |
| 202 | N | 97.8 | Very high | 98.1 | Very high | 95 Ų | 95 | 98 Ų | 98 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 176.5 | -72.1 | -16.4 | 0 | 0 | 0 | 112.5 | I198 L199 Q204 T205 L206 | I198-N202 WeakPolarHBondContact O-CB 3.47Å; I198-N202 VanDerWaalsContact O-CG 3.27Å; I198-N202 PolarHBondContact O-N 3.14Å; L199-N202 PolarHBondContact O-N 2.85Å; N202-Q204 VanDerWaalsContact C-N 3.34Å; N202-T205 PolarHBondContact O-N 2.94Å; N202-L206 WeakPolarHBondContact O-CB 3.34Å; N202-L206 PolarHBondContact O-N 2.66Å |
| 203 | V | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 98.4 Ų | 98.4 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -39.9 | 175.6 | 169.4 | 0 | 0 | 0 | 0 | 111 | L199 K200 E201 G207 | L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 3.41Å; K200-V203 PolarHBondContact O-N 2.81Å; E201-V203 VanDerWaalsContact C-N 3.34Å; E201-V203 PolarHBondContact O-N 3.45Å; V203-G207 PolarHBondContact O-N 2.89Å |
| 204 | Q | 97.9 | Very high | 98.1 | Very high | 107 Ų | 107 | 96.6 Ų | 96.6 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 175.9 | -73.9 | 177.6 | -30.1 | 0 | 0 | 111.9 | K200 E201 N202 G207 Q208 | K200-Q204 WeakPolarHBondContact O-CG 3.2Å; K200-Q204 PolarHBondContact O-N 3.32Å; E201-Q204 WeakPolarHBondContact O-CB 3.41Å; E201-Q204 PolarHBondContact O-N 2.9Å; E201-Q204 VanDerWaalsContact O-N 3.11Å; N202-Q204 VanDerWaalsContact C-N 3.34Å; Q204-G207 PolarHBondContact O-N 2.97Å; Q204-Q208 WeakPolarHBondContact O-CG 3.5Å; Q204-Q208 PolarHBondContact O-N 3.45Å |
| 205 | T | 98.1 | Very high | 98 | Very high | 79 Ų | 79 | 97.5 Ų | 97.5 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 176.4 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | E201 N202 G207 Q208 E209 | E201-T205 PolarHBondContact O-N 3.35Å; E201-T205 PolarHBondContact O-OG1 3.33Å; N202-T205 PolarHBondContact O-N 2.94Å; T205-G207 VanDerWaalsContact C-N 3.31Å; T205-G207 PolarHBondContact O-N 3.44Å; T205-Q208 PolarHBondContact O-N 3.03Å; T205-E209 PolarHBondContact O-N 2.73Å |
| 206 | L | 98.4 | Very high | 97.9 | Very high | 108 Ų | 108 | 95.9 Ų | 95.9 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -38.9 | 175.8 | -177.6 | 60.6 | 0 | 0 | 0 | 111.6 | N202 E209 I210 | N202-L206 WeakPolarHBondContact O-CB 3.34Å; N202-L206 PolarHBondContact O-N 2.66Å; L206-E209 PolarHBondContact O-N 3.41Å; L206-I210 HydrophobicContact CD1-CD1 4.34Å; L206-I210 HydrophobicContact CD1-CG1 4.4Å; L206-I210 HydrophobicContact CG-CD1 3.98Å; L206-I210 HydrophobicContact CG-CG1 4.48Å; L206-I210 VanDerWaalsContact O-CG1 3.27Å; L206-I210 WeakPolarHBondContact O-CG1 3.22Å; L206-I210 PolarHBondContact O-N 3.41Å |
| 207 | G | 98.2 | Very high | 97.8 | Very high | 31 Ų | 31 | 96.1 Ų | 96.1 | 32% | 0.32 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V203 Q204 T205 S211 | V203-G207 PolarHBondContact O-N 2.89Å; Q204-G207 PolarHBondContact O-N 2.97Å; T205-G207 VanDerWaalsContact C-N 3.31Å; T205-G207 PolarHBondContact O-N 3.44Å; G207-S211 WeakPolarHBondContact O-CB 3.39Å; G207-S211 PolarHBondContact O-N 3.11Å; G207-S211 PolarHBondContact O-OG 2.91Å |
| 208 | Q | 98 | Very high | 97.6 | Very high | 137 Ų | 137 | 92.6 Ų | 92.6 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 173.4 | -70.9 | 172.2 | 1.7 | 0 | 0 | 111.4 | Q204 T205 S211 R212 | Q204-Q208 WeakPolarHBondContact O-CG 3.5Å; Q204-Q208 PolarHBondContact O-N 3.45Å; T205-Q208 PolarHBondContact O-N 3.03Å; Q208-S211 WeakPolarHBondContact O-CB 3.38Å; Q208-S211 PolarHBondContact O-N 3.35Å; Q208-R212 WeakPolarHBondContact O-CB 3.4Å; Q208-R212 PolarHBondContact O-N 3.07Å |
| 209 | E | 98.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 94.7 Ų | 94.7 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 178.7 | -175.4 | 61.9 | -174.9 | 0 | 0 | 112.2 | T205 L206 S211 R212 L213 | T205-E209 PolarHBondContact O-N 2.73Å; L206-E209 PolarHBondContact O-N 3.41Å; E209-S211 VanDerWaalsContact C-N 3.3Å; E209-S211 PolarHBondContact O-N 2.97Å; E209-R212 PolarHBondContact O-N 3.31Å; E209-R212 IonicContact OE1-CZ 3.5Å; E209-R212 IonicContact OE1-NE 2.68Å; E209-R212 IonicContact OE1-NH2 3.52Å; E209-R212 PolarHBondContact OE1-NH2 3.47Å; E209-R212 IonicContact OE2-CZ 2.66Å; E209-R212 IonicContact OE2-NE 2.66Å; E209-R212 PolarHBondContact OE2-NE 3.5Å; E209-R212 IonicContact OE2-NH2 3.5Å; E209-R212 PolarHBondContact OE2-NH2 3.37Å; E209-L213 HydrophobicContact CG-CD1 4.06Å; E209-L213 HydrophobicContact CG-CG 4.5Å; E209-L213 WeakPolarHBondContact O-CB 3.41Å; E209-L213 VanDerWaalsContact O-CG 3.32Å; E209-L213 WeakPolarHBondContact O-CG 3.15Å; E209-L213 PolarHBondContact O-N 3.18Å |
| 210 | I | 98 | Very high | 97.3 | Very high | 101 Ų | 101 | 94.4 Ų | 94.4 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 172.3 | -69.8 | 166.5 | 0 | 0 | 0 | 110.5 | L206 L213 S214 | L206-I210 HydrophobicContact CD1-CD1 4.34Å; L206-I210 HydrophobicContact CD1-CG1 4.4Å; L206-I210 HydrophobicContact CG-CD1 3.98Å; L206-I210 HydrophobicContact CG-CG1 4.48Å; L206-I210 VanDerWaalsContact O-CG1 3.27Å; L206-I210 WeakPolarHBondContact O-CG1 3.22Å; L206-I210 PolarHBondContact O-N 3.41Å; I210-L213 PolarHBondContact O-N 2.91Å; I210-S214 WeakPolarHBondContact O-CB 3.26Å; I210-S214 PolarHBondContact O-N 3.39Å |
| 211 | S | 97.7 | Very high | 97 | Very high | 71 Ų | 71 | 97.8 Ų | 97.8 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | G207 Q208 E209 S214 L215 | G207-S211 WeakPolarHBondContact O-CB 3.39Å; G207-S211 PolarHBondContact O-N 3.11Å; G207-S211 PolarHBondContact O-OG 2.91Å; Q208-S211 WeakPolarHBondContact O-CB 3.38Å; Q208-S211 PolarHBondContact O-N 3.35Å; E209-S211 VanDerWaalsContact C-N 3.3Å; E209-S211 PolarHBondContact O-N 2.97Å; S211-S214 PolarHBondContact O-N 3.33Å; S211-L215 WeakPolarHBondContact O-CG 3.46Å; S211-L215 PolarHBondContact O-N 2.84Å; S211-L215 VanDerWaalsContact O-N 3.08Å |
| 212 | R | 98 | Very high | 96.6 | Very high | 134 Ų | 134 | 97.9 Ų | 97.9 | 51% | 0.506 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -52 | 175.1 | -173.9 | -178.7 | 79.2 | 95.1 | 1.4 | 111.5 | Q208 E209 S214 L215 E216 | Q208-R212 WeakPolarHBondContact O-CB 3.4Å; Q208-R212 PolarHBondContact O-N 3.07Å; E209-R212 PolarHBondContact O-N 3.31Å; E209-R212 IonicContact OE1-CZ 3.5Å; E209-R212 IonicContact OE1-NE 2.68Å; E209-R212 IonicContact OE1-NH2 3.52Å; E209-R212 PolarHBondContact OE1-NH2 3.47Å; E209-R212 IonicContact OE2-CZ 2.66Å; E209-R212 IonicContact OE2-NE 2.66Å; E209-R212 PolarHBondContact OE2-NE 3.5Å; E209-R212 IonicContact OE2-NH2 3.5Å; E209-R212 PolarHBondContact OE2-NH2 3.37Å; R212-S214 VanDerWaalsContact C-N 3.29Å; R212-S214 PolarHBondContact O-N 2.89Å; R212-L215 PolarHBondContact O-N 3.32Å; R212-E216 PolarHBondContact O-N 3.42Å |
| 213 | L | 98 | Very high | 96.2 | Very high | 69 Ų | 69 | 99 Ų | 99 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -32.2 | 178.5 | -70.3 | 172.2 | 0 | 0 | 0 | 112.4 | E209 I210 N217 | E209-L213 HydrophobicContact CG-CD1 4.06Å; E209-L213 HydrophobicContact CG-CG 4.5Å; E209-L213 WeakPolarHBondContact O-CB 3.41Å; E209-L213 VanDerWaalsContact O-CG 3.32Å; E209-L213 WeakPolarHBondContact O-CG 3.15Å; E209-L213 PolarHBondContact O-N 3.18Å; I210-L213 PolarHBondContact O-N 2.91Å; L213-N217 VanDerWaalsContact O-CB 3.25Å; L213-N217 WeakPolarHBondContact O-CB 3.31Å; L213-N217 VanDerWaalsContact O-CG 3.28Å; L213-N217 PolarHBondContact O-N 3.15Å; L213-N217 PolarHBondContact O-ND2 3.44Å |
| 214 | S | 97.1 | Very high | 95.6 | Very high | 81 Ų | 81 | 97.3 Ų | 97.3 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | 176.1 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | I210 S211 R212 G218 | I210-S214 WeakPolarHBondContact O-CB 3.26Å; I210-S214 PolarHBondContact O-N 3.39Å; S211-S214 PolarHBondContact O-N 3.33Å; R212-S214 VanDerWaalsContact C-N 3.29Å; R212-S214 PolarHBondContact O-N 2.89Å; S214-G218 PolarHBondContact O-N 3.29Å |
| 215 | L | 96.5 | Very high | 95 | Very high | 121 Ų | 121 | 94.1 Ų | 94.1 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.2 | -50 | 173.7 | -72.9 | 170.2 | 0 | 0 | 0 | 111.4 | S211 R212 N217 G218 E219 | S211-L215 WeakPolarHBondContact O-CG 3.46Å; S211-L215 PolarHBondContact O-N 2.84Å; S211-L215 VanDerWaalsContact O-N 3.08Å; R212-L215 PolarHBondContact O-N 3.32Å; L215-N217 VanDerWaalsContact C-N 3.34Å; L215-N217 PolarHBondContact O-N 3.45Å; L215-G218 WeakPolarHBondContact O-CA 3.28Å; L215-G218 PolarHBondContact O-N 3.49Å; L215-E219 WeakPolarHBondContact O-CG 3.12Å; L215-E219 PolarHBondContact O-N 3.34Å |
| 216 | E | 96.6 | Very high | 94.3 | Very high | 87 Ų | 87 | 95.1 Ų | 95.1 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 178.4 | -175.5 | 177.7 | 179.1 | 0 | 0 | 111.6 | R212 G218 E219 L220 | R212-E216 PolarHBondContact O-N 3.42Å; E216-G218 VanDerWaalsContact C-N 3.3Å; E216-G218 PolarHBondContact O-N 3.08Å; E216-E219 PolarHBondContact O-N 3.49Å; E216-L220 HydrophobicContact CG-CD1 4.16Å; E216-L220 WeakPolarHBondContact O-CB 3.47Å; E216-L220 VanDerWaalsContact O-CG 3.23Å; E216-L220 WeakPolarHBondContact O-CG 3.31Å; E216-L220 PolarHBondContact O-N 3.14Å |
| 217 | N | 95 | Very high | 93.4 | Very high | 95 Ų | 95 | 97.3 Ų | 97.3 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 173.9 | -79.9 | -50.2 | 0 | 0 | 0 | 112.5 | L213 L215 R221 | L213-N217 VanDerWaalsContact O-CB 3.25Å; L213-N217 WeakPolarHBondContact O-CB 3.31Å; L213-N217 VanDerWaalsContact O-CG 3.28Å; L213-N217 PolarHBondContact O-N 3.15Å; L213-N217 PolarHBondContact O-ND2 3.44Å; L215-N217 VanDerWaalsContact C-N 3.34Å; L215-N217 PolarHBondContact O-N 3.45Å; N217-R221 WeakPolarHBondContact O-CB 3.31Å; N217-R221 WeakPolarHBondContact O-CG 3.44Å; N217-R221 PolarHBondContact O-N 3.17Å; N217-R221 VanDerWaalsContact O-N 3.09Å |
| 218 | G | 95.6 | Very high | 92.3 | Very high | 33 Ų | 33 | 102 Ų | 102 | 34% | 0.34 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S214 L215 E216 R221 L222 | S214-G218 PolarHBondContact O-N 3.29Å; L215-G218 WeakPolarHBondContact O-CA 3.28Å; L215-G218 PolarHBondContact O-N 3.49Å; E216-G218 VanDerWaalsContact C-N 3.3Å; E216-G218 PolarHBondContact O-N 3.08Å; G218-R221 PolarHBondContact O-N 3.09Å; G218-L222 PolarHBondContact O-N 3.35Å |
| 219 | E | 94.4 | Very high | 90.9 | Very high | 124 Ų | 124 | 102.5 Ų | 102.5 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 177 | -69.9 | 177.3 | 172.8 | 0 | 0 | 111.8 | L215 E216 R221 L222 H223 | L215-E219 WeakPolarHBondContact O-CG 3.12Å; L215-E219 PolarHBondContact O-N 3.34Å; E216-E219 PolarHBondContact O-N 3.49Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.35Å; E219-L222 PolarHBondContact O-N 3Å; E219-H223 PolarHBondContact O-N 2.91Å |
| 220 | L | 93.6 | Very high | 89.5 | Confident | 98 Ų | 98 | 103 Ų | 103 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 175.9 | -73.3 | 172.7 | 0 | 0 | 0 | 112.4 | E216 S224 | E216-L220 HydrophobicContact CG-CD1 4.16Å; E216-L220 WeakPolarHBondContact O-CB 3.47Å; E216-L220 VanDerWaalsContact O-CG 3.23Å; E216-L220 WeakPolarHBondContact O-CG 3.31Å; E216-L220 PolarHBondContact O-N 3.14Å; L220-S224 WeakPolarHBondContact O-CB 3.33Å; L220-S224 PolarHBondContact O-N 3.47Å |
| 221 | R | 92.2 | Very high | 87.9 | Confident | 202 Ų | 202 | 103.9 Ų | 103.9 | 76% | 0.762 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69 | -39 | 176.1 | -73.3 | 177.7 | 92 | 164.5 | 8.8 | 112.2 | N217 G218 E219 S224 A225 | N217-R221 WeakPolarHBondContact O-CB 3.31Å; N217-R221 WeakPolarHBondContact O-CG 3.44Å; N217-R221 PolarHBondContact O-N 3.17Å; N217-R221 VanDerWaalsContact O-N 3.09Å; G218-R221 PolarHBondContact O-N 3.09Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.35Å; R221-S224 PolarHBondContact O-N 2.86Å; R221-A225 PolarHBondContact O-N 3.39Å |
| 222 | L | 90.1 | Very high | 85.7 | Confident | 116 Ų | 116 | 110.4 Ų | 110.4 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.7 | -48 | 173 | -70 | 174.1 | 0 | 0 | 0 | 111 | G218 E219 S224 A225 D226 | G218-L222 PolarHBondContact O-N 3.35Å; E219-L222 PolarHBondContact O-N 3Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 2.89Å; L222-A225 PolarHBondContact O-N 3.35Å; L222-A225 VanDerWaalsContact O-N 3.12Å; L222-D226 PolarHBondContact O-N 2.91Å |
| 223 | H | 89.1 | Confident | 85.1 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -29.6 | 176 | -81.8 | -28.1 | 0 | 0 | 0 | 114 | E219 K227 | E219-H223 PolarHBondContact O-N 2.91Å; H223-K227 VanDerWaalsContact O-CG 3.29Å; H223-K227 WeakPolarHBondContact O-CG 3.2Å; H223-K227 PolarHBondContact O-N 3.3Å |
| 224 | S | 87 | Confident | 84.4 | Confident | 60 Ų | 60 | 111.3 Ų | 111.3 | 42% | 0.42 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.9 | -42 | 172.3 | -167 | 0 | 0 | 0 | 0 | 111.6 | L220 R221 L222 K227 E228 | L220-S224 WeakPolarHBondContact O-CB 3.33Å; L220-S224 PolarHBondContact O-N 3.47Å; R221-S224 PolarHBondContact O-N 2.86Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 2.89Å; S224-K227 PolarHBondContact O-N 2.78Å; S224-E228 PolarHBondContact O-N 2.83Å; S224-E228 VanDerWaalsContact O-N 3.15Å |
| 225 | A | 85.7 | Confident | 83.7 | Confident | 41 Ų | 41 | 113 Ų | 113 | 34% | 0.339 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.4 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R221 L222 K227 E228 H229 | R221-A225 PolarHBondContact O-N 3.39Å; L222-A225 PolarHBondContact O-N 3.35Å; L222-A225 VanDerWaalsContact O-N 3.12Å; A225-K227 VanDerWaalsContact C-N 3.29Å; A225-K227 PolarHBondContact O-N 2.82Å; A225-E228 PolarHBondContact O-N 3.35Å; A225-H229 PolarHBondContact O-CD2 3.18Å; A225-H229 PolarHBondContact O-N 2.89Å |
| 226 | D | 83.3 | Confident | 82.9 | Confident | 99 Ų | 99 | 112.5 Ų | 112.5 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.7 | -36.1 | 176.6 | -68.8 | -21.3 | 0 | 0 | 0 | 111.9 | L222 H229 A230 | L222-D226 PolarHBondContact O-N 2.91Å; D226-H229 PolarHBondContact O-N 2.94Å; D226-A230 WeakPolarHBondContact O-CB 3.1Å; D226-A230 PolarHBondContact O-N 2.81Å |
| 227 | K | 79.6 | Confident | 82.1 | Confident | 155 Ų | 155 | 114.1 Ų | 114.1 | 67% | 0.674 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.1 | -38.5 | 176.2 | -75.9 | 175.9 | -177.6 | 179.3 | 0 | 112.4 | H223 S224 A225 A230 T231 | H223-K227 VanDerWaalsContact O-CG 3.29Å; H223-K227 WeakPolarHBondContact O-CG 3.2Å; H223-K227 PolarHBondContact O-N 3.3Å; S224-K227 PolarHBondContact O-N 2.78Å; A225-K227 VanDerWaalsContact C-N 3.29Å; A225-K227 PolarHBondContact O-N 2.82Å; K227-A230 PolarHBondContact O-N 3.43Å; K227-T231 PolarHBondContact O-N 3.32Å; K227-T231 PolarHBondContact O-OG1 3.26Å |
| 228 | E | 74.1 | Confident | 81.2 | Confident | 130 Ų | 130 | 115.4 Ų | 115.4 | 61% | 0.607 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.3 | -38.2 | 174.8 | -72.5 | -178.7 | 177.1 | 0 | 0 | 111.5 | S224 A225 T231 | S224-E228 PolarHBondContact O-N 2.83Å; S224-E228 VanDerWaalsContact O-N 3.15Å; A225-E228 PolarHBondContact O-N 3.35Å; E228-T231 PolarHBondContact O-N 3.01Å; E228-T231 PolarHBondContact O-OG1 2.78Å |
| 229 | H | 68 | Low | 80.2 | Confident | 146 Ų | 146 | 121.3 Ų | 121.3 | 68% | 0.676 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.2 | -29.2 | 174.9 | -85.5 | -69.2 | 0 | 0 | 0 | 113.9 | A225 D226 T231 | A225-H229 PolarHBondContact O-CD2 3.18Å; A225-H229 PolarHBondContact O-N 2.89Å; D226-H229 PolarHBondContact O-N 2.94Å; H229-T231 VanDerWaalsContact C-N 3.28Å; H229-T231 PolarHBondContact O-N 2.95Å |
| 230 | A | 69.8 | Low | 79.1 | Confident | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -8.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D226 K227 | D226-A230 WeakPolarHBondContact O-CB 3.1Å; D226-A230 PolarHBondContact O-N 2.81Å; K227-A230 PolarHBondContact O-N 3.43Å |
| 231 | T | 63.7 | Low | 77.8 | Confident | 119 Ų | 119 | 123 Ų | 123 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 6.4 | 178.2 | 25.6 | 0 | 0 | 0 | 0 | 114.4 | K227 E228 H229 | K227-T231 PolarHBondContact O-N 3.32Å; K227-T231 PolarHBondContact O-OG1 3.26Å; E228-T231 PolarHBondContact O-N 3.01Å; E228-T231 PolarHBondContact O-OG1 2.78Å; H229-T231 VanDerWaalsContact C-N 3.28Å; H229-T231 PolarHBondContact O-N 2.95Å |
| 232 | L | 51.6 | Low | 76.5 | Confident | 208 Ų | 208 | 115.8 Ų | 115.8 | 100% | 1.089 | 63% | 0.627 | S | S | * | * | trans | -112.4 | 0 | 170.6 | -67.9 | 174.3 | 0 | 0 | 0 | 111 |
Retrieved 232 of 232 residues in 119.8 ms
(Link to these results)