| 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 | 43 | Very low | 57.2 | Low | 237 Ų | 237 | 150.5 Ų | 150.5 | 100% | 1.167 | 73% | 0.732 | S | S | * | * | 0 | 112.1 | 0 | -81.3 | 170.2 | 164.5 | 0 | 0 | 105.7 | |||||
| 2 | E | 50.2 | Low | 59.3 | Low | 166 Ų | 166 | 148.5 Ų | 148.5 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | 178.6 | -10.7 | 167.5 | -108.9 | 161.1 | -170.7 | 0 | 0 | 114 | K4 | E2-K4 VanDerWaalsContact C-N 3.31Å; E2-K4 PolarHBondContact O-N 3.29Å | ||
| 3 | V | 52.5 | Low | 61.3 | Low | 133 Ų | 133 | 148.5 Ų | 148.5 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -8.6 | -173.8 | -173 | 0 | 0 | 0 | 0 | 114.1 | ||
| 4 | K | 49.2 | Very low | 63.2 | Low | 195 Ų | 195 | 147.1 Ų | 147.1 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -15.4 | -178.8 | -82.3 | -173.7 | 175.5 | -178.6 | 0 | 114.8 | E2 P8 | E2-K4 VanDerWaalsContact C-N 3.31Å; E2-K4 PolarHBondContact O-N 3.29Å; K4-P8 VanDerWaalsContact O-CD 3.24Å; K4-P8 WeakPolarHBondContact O-CD 3.24Å |
| 5 | E | 51.8 | Low | 65.1 | Low | 147 Ų | 147 | 144.9 Ų | 144.9 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -21.9 | -177.5 | -81.6 | 178.8 | 156.5 | 0 | 0 | 114.3 | P8 V9 | E5-P8 WeakPolarHBondContact O-CD 3.36Å; E5-P8 WeakPolarHBondContact O-CG 3.48Å; E5-V9 WeakPolarHBondContact O-CG2 3.37Å |
| 6 | Q | 53.4 | Low | 66.6 | Low | 147 Ų | 147 | 141.7 Ų | 141.7 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -75.9 | -31.3 | -178.7 | -142.9 | 82.6 | 17.8 | 0 | 0 | 113.7 | N10 | Q6-N10 PolarHBondContact O-N 3.19Å |
| 7 | Y | 54.1 | Low | 68.1 | Low | 197 Ų | 197 | 140.7 Ų | 140.7 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66 | -45.7 | -178.7 | -124 | -91.8 | 0 | 0 | 0 | 114.3 | K11 | Y7-K11 PolarHBondContact O-N 3.32Å |
| 8 | P | 59.3 | Low | 69.4 | Low | 74 Ų | 74 | 137.9 Ų | 137.9 | 48% | 0.481 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.8 | -35.9 | 176.7 | 23.2 | -32.1 | 0 | 0 | 0 | 112.6 | K4 E5 N10 K11 Q12 | K4-P8 VanDerWaalsContact O-CD 3.24Å; K4-P8 WeakPolarHBondContact O-CD 3.24Å; E5-P8 WeakPolarHBondContact O-CD 3.36Å; E5-P8 WeakPolarHBondContact O-CG 3.48Å; P8-N10 PolarHBondContact O-N 3.02Å; P8-K11 PolarHBondContact O-N 3.38Å; P8-Q12 WeakPolarHBondContact O-CB 3.34Å; P8-Q12 PolarHBondContact O-N 2.97Å |
| 9 | V | 65.7 | Low | 70.7 | Confident | 90 Ų | 90 | 136.1 Ų | 136.1 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.5 | -38.8 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | E5 Q12 K13 | E5-V9 WeakPolarHBondContact O-CG2 3.37Å; V9-Q12 PolarHBondContact O-N 3.02Å; V9-K13 WeakPolarHBondContact O-CB 3.46Å; V9-K13 PolarHBondContact O-N 3.39Å |
| 10 | N | 72.6 | Confident | 71.8 | Confident | 111 Ų | 111 | 133.3 Ų | 133.3 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.5 | -38.2 | 179.1 | -144.7 | 17.3 | 0 | 0 | 0 | 112 | Q6 P8 Q12 K13 E14 | Q6-N10 PolarHBondContact O-N 3.19Å; P8-N10 PolarHBondContact O-N 3.02Å; N10-Q12 VanDerWaalsContact C-N 3.33Å; N10-Q12 PolarHBondContact O-N 3.05Å; N10-K13 PolarHBondContact O-N 3.44Å; N10-E14 PolarHBondContact O-N 3.49Å |
| 11 | K | 77.4 | Confident | 72.8 | Confident | 159 Ų | 159 | 133.9 Ų | 133.9 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66 | -36.2 | 175 | -157.5 | 173.5 | -173.4 | 179.6 | 0 | 112.1 | Y7 P8 L15 | Y7-K11 PolarHBondContact O-N 3.32Å; P8-K11 PolarHBondContact O-N 3.38Å; K11-L15 WeakPolarHBondContact O-CB 3.47Å; K11-L15 PolarHBondContact O-N 3.48Å |
| 12 | Q | 82.4 | Confident | 75.2 | Confident | 126 Ų | 126 | 129.2 Ų | 129.2 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.3 | -37.5 | 175.2 | -165.7 | 169 | 4.4 | 0 | 0 | 112.2 | P8 V9 N10 L15 L16 | P8-Q12 WeakPolarHBondContact O-CB 3.34Å; P8-Q12 PolarHBondContact O-N 2.97Å; V9-Q12 PolarHBondContact O-N 3.02Å; N10-Q12 VanDerWaalsContact C-N 3.33Å; N10-Q12 PolarHBondContact O-N 3.05Å; Q12-L15 PolarHBondContact O-N 3.32Å; Q12-L16 WeakPolarHBondContact O-CG 3.47Å; Q12-L16 PolarHBondContact O-N 3Å |
| 13 | K | 85.4 | Confident | 77.3 | Confident | 149 Ų | 149 | 126 Ų | 126 | 65% | 0.648 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65 | -40.3 | 174.1 | -171.4 | 178.7 | 179.4 | -178.9 | 0 | 112.3 | V9 N10 L16 H17 | V9-K13 WeakPolarHBondContact O-CB 3.46Å; V9-K13 PolarHBondContact O-N 3.39Å; N10-K13 PolarHBondContact O-N 3.44Å; K13-L16 PolarHBondContact O-N 3.28Å; K13-H17 WeakPolarHBondContact O-CB 3.35Å; K13-H17 PolarHBondContact O-N 3.47Å |
| 14 | E | 88.1 | Confident | 79.2 | Confident | 128 Ų | 128 | 128.1 Ų | 128.1 | 60% | 0.598 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.3 | -40.7 | 176.2 | -167 | 172.5 | -166.4 | 0 | 0 | 111.8 | N10 H17 N18 | N10-E14 PolarHBondContact O-N 3.49Å; E14-H17 PolarHBondContact O-N 2.99Å; E14-N18 PolarHBondContact O-N 2.98Å; E14-N18 PolarHBondContact O-ND2 3.41Å |
| 15 | L | 90.9 | Very high | 81.4 | Confident | 114 Ų | 114 | 120.9 Ų | 120.9 | 60% | 0.597 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.5 | -49 | 172.7 | -166.9 | 98.7 | 0 | 0 | 0 | 111.6 | K11 Q12 H17 N18 Q19 | K11-L15 WeakPolarHBondContact O-CB 3.47Å; K11-L15 PolarHBondContact O-N 3.48Å; Q12-L15 PolarHBondContact O-N 3.32Å; L15-H17 VanDerWaalsContact C-N 3.31Å; L15-H17 PolarHBondContact O-N 3.31Å; L15-N18 PolarHBondContact O-N 3.04Å; L15-Q19 WeakPolarHBondContact O-CB 3.47Å; L15-Q19 PolarHBondContact O-N 3.29Å |
| 16 | L | 89.7 | Confident | 83.3 | Confident | 94 Ų | 94 | 116.5 Ų | 116.5 | 49% | 0.492 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.6 | -39 | 177.5 | -74.8 | 170.9 | 0 | 0 | 0 | 112 | Q12 K13 Q19 V20 | Q12-L16 WeakPolarHBondContact O-CG 3.47Å; Q12-L16 PolarHBondContact O-N 3Å; K13-L16 PolarHBondContact O-N 3.28Å; L16-Q19 PolarHBondContact O-N 2.92Å; L16-V20 VanDerWaalsContact O-CG2 3.32Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.35Å |
| 17 | H | 91.5 | Very high | 85.3 | Confident | 125 Ų | 125 | 114.1 Ų | 114.1 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.3 | -43.6 | 178.1 | -172.9 | 51.8 | 0 | 0 | 0 | 112.1 | K13 E14 L15 Q19 V20 K21 | K13-H17 WeakPolarHBondContact O-CB 3.35Å; K13-H17 PolarHBondContact O-N 3.47Å; E14-H17 PolarHBondContact O-N 2.99Å; L15-H17 VanDerWaalsContact C-N 3.31Å; L15-H17 PolarHBondContact O-N 3.31Å; H17-Q19 VanDerWaalsContact C-N 3.33Å; H17-V20 PolarHBondContact O-N 3Å; H17-K21 WeakPolarHBondContact O-CB 3.44Å; H17-K21 PolarHBondContact O-N 3.42Å |
| 18 | N | 91.6 | Very high | 87.2 | Confident | 90 Ų | 90 | 109.2 Ų | 109.2 | 48% | 0.481 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -41.5 | 175.6 | -70.8 | -29.5 | 0 | 0 | 0 | 111.6 | E14 L15 K21 E22 | E14-N18 PolarHBondContact O-N 2.98Å; E14-N18 PolarHBondContact O-ND2 3.41Å; L15-N18 PolarHBondContact O-N 3.04Å; N18-K21 WeakPolarHBondContact O-CB 3.36Å; N18-K21 PolarHBondContact O-N 3.22Å; N18-E22 PolarHBondContact O-N 2.98Å |
| 19 | Q | 93.8 | Very high | 88.8 | Confident | 104 Ų | 104 | 108.6 Ų | 108.6 | 49% | 0.486 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65 | -42.1 | 178.3 | -153.2 | 175 | 14 | 0 | 0 | 112.1 | L15 L16 H17 K21 E22 L23 | L15-Q19 WeakPolarHBondContact O-CB 3.47Å; L15-Q19 PolarHBondContact O-N 3.29Å; L16-Q19 PolarHBondContact O-N 2.92Å; H17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-K21 VanDerWaalsContact C-N 3.32Å; Q19-K21 PolarHBondContact O-N 3.36Å; Q19-E22 PolarHBondContact O-N 3.46Å; Q19-L23 WeakPolarHBondContact O-CB 3.32Å; Q19-L23 VanDerWaalsContact O-CG 3.28Å; Q19-L23 WeakPolarHBondContact O-CG 3.28Å; Q19-L23 PolarHBondContact O-N 2.93Å |
| 20 | V | 93.1 | Very high | 90 | Very high | 80 Ų | 80 | 108.3 Ų | 108.3 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -37.8 | 174.2 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | L16 H17 R24 | L16-V20 VanDerWaalsContact O-CG2 3.32Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.35Å; H17-V20 PolarHBondContact O-N 3Å; V20-R24 WeakPolarHBondContact O-CB 3.43Å; V20-R24 PolarHBondContact O-N 2.92Å |
| 21 | K | 93.4 | Very high | 91.1 | Very high | 146 Ų | 146 | 108 Ų | 108 | 64% | 0.635 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.3 | -42 | 177 | -172.2 | -179.8 | 178.6 | -176.5 | 0 | 111.6 | H17 N18 Q19 R24 G25 | H17-K21 WeakPolarHBondContact O-CB 3.44Å; H17-K21 PolarHBondContact O-N 3.42Å; N18-K21 WeakPolarHBondContact O-CB 3.36Å; N18-K21 PolarHBondContact O-N 3.22Å; Q19-K21 VanDerWaalsContact C-N 3.32Å; Q19-K21 PolarHBondContact O-N 3.36Å; K21-R24 PolarHBondContact O-N 3.12Å; K21-G25 PolarHBondContact O-N 3.27Å; K21-G25 VanDerWaalsContact O-N 3.12Å |
| 22 | E | 94 | Very high | 91.8 | Very high | 138 Ų | 138 | 103.3 Ų | 103.3 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -50.3 | 175.5 | -171.1 | 179 | 179.2 | 0 | 0 | 111.3 | N18 Q19 R24 G25 S26 | N18-E22 PolarHBondContact O-N 2.98Å; Q19-E22 PolarHBondContact O-N 3.46Å; E22-R24 PolarHBondContact O-N 2.96Å; E22-G25 WeakPolarHBondContact O-CA 3.42Å; E22-G25 PolarHBondContact O-N 2.9Å; E22-S26 PolarHBondContact O-N 3.45Å; E22-S26 PolarHBondContact O-OG 3.45Å |
| 23 | L | 93.8 | Very high | 92.2 | Very high | 100 Ų | 100 | 99.7 Ų | 99.7 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.2 | -37.2 | 176.5 | -73.2 | 171.9 | 0 | 0 | 0 | 112.5 | Q19 S26 N27 | Q19-L23 WeakPolarHBondContact O-CB 3.32Å; Q19-L23 VanDerWaalsContact O-CG 3.28Å; Q19-L23 WeakPolarHBondContact O-CG 3.28Å; Q19-L23 PolarHBondContact O-N 2.93Å; L23-S26 PolarHBondContact O-N 3.39Å; L23-N27 WeakPolarHBondContact O-CB 3.36Å; L23-N27 VanDerWaalsContact O-CG 3.31Å; L23-N27 PolarHBondContact O-N 3.24Å; L23-N27 PolarHBondContact O-ND2 3.45Å |
| 24 | R | 93.1 | Very high | 92.6 | Very high | 176 Ų | 176 | 96.6 Ų | 96.6 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 173.7 | -175.6 | -175 | -67.1 | -102.7 | 0.4 | 111.4 | V20 K21 E22 N27 V28 | V20-R24 WeakPolarHBondContact O-CB 3.43Å; V20-R24 PolarHBondContact O-N 2.92Å; K21-R24 PolarHBondContact O-N 3.12Å; E22-R24 PolarHBondContact O-N 2.96Å; R24-N27 PolarHBondContact O-N 3.42Å; R24-V28 WeakPolarHBondContact O-CG2 3.36Å; R24-V28 PolarHBondContact O-N 3.25Å; R24-V28 VanDerWaalsContact O-N 3.1Å |
| 25 | G | 93.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 95.1 Ų | 95.1 | 44% | 0.443 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K21 E22 N27 V28 A29 | K21-G25 PolarHBondContact O-N 3.27Å; K21-G25 VanDerWaalsContact O-N 3.12Å; E22-G25 WeakPolarHBondContact O-CA 3.42Å; E22-G25 PolarHBondContact O-N 2.9Å; G25-N27 VanDerWaalsContact C-N 3.35Å; G25-N27 PolarHBondContact O-N 2.88Å; G25-V28 PolarHBondContact O-N 2.91Å; G25-A29 PolarHBondContact O-N 3.05Å |
| 26 | S | 93.6 | Very high | 92.9 | Very high | 56 Ų | 56 | 91.6 Ų | 91.6 | 39% | 0.392 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | E22 L23 V28 A29 L30 | E22-S26 PolarHBondContact O-N 3.45Å; E22-S26 PolarHBondContact O-OG 3.45Å; L23-S26 PolarHBondContact O-N 3.39Å; S26-V28 VanDerWaalsContact C-N 3.35Å; S26-V28 PolarHBondContact O-N 3.23Å; S26-A29 PolarHBondContact O-N 3.1Å; S26-L30 WeakPolarHBondContact O-CG 3.38Å; S26-L30 PolarHBondContact O-N 3.44Å |
| 27 | N | 93.6 | Very high | 93 | Very high | 97 Ų | 97 | 88.6 Ų | 88.6 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 177.1 | -80 | -23.2 | 0 | 0 | 0 | 112.5 | L23 R24 G25 L30 L31 | L23-N27 WeakPolarHBondContact O-CB 3.36Å; L23-N27 VanDerWaalsContact O-CG 3.31Å; L23-N27 PolarHBondContact O-N 3.24Å; L23-N27 PolarHBondContact O-ND2 3.45Å; R24-N27 PolarHBondContact O-N 3.42Å; G25-N27 VanDerWaalsContact C-N 3.35Å; G25-N27 PolarHBondContact O-N 2.88Å; N27-L30 PolarHBondContact O-N 2.85Å; N27-L31 WeakPolarHBondContact O-CB 3.4Å; N27-L31 VanDerWaalsContact O-CG 3.27Å; N27-L31 WeakPolarHBondContact O-CG 3.38Å; N27-L31 PolarHBondContact O-N 3.45Å |
| 28 | V | 95.4 | Very high | 93 | Very high | 93 Ų | 93 | 88.8 Ų | 88.8 | 56% | 0.564 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.8 | -41.3 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | R24 G25 S26 L31 A32 | R24-V28 WeakPolarHBondContact O-CG2 3.36Å; R24-V28 PolarHBondContact O-N 3.25Å; R24-V28 VanDerWaalsContact O-N 3.1Å; G25-V28 PolarHBondContact O-N 2.91Å; S26-V28 VanDerWaalsContact C-N 3.35Å; S26-V28 PolarHBondContact O-N 3.23Å; V28-L31 PolarHBondContact O-N 3.44Å; V28-A32 PolarHBondContact O-N 3.39Å |
| 29 | A | 91.9 | Very high | 93 | Very high | 62 Ų | 62 | 90 Ų | 90 | 51% | 0.512 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G25 S26 L31 A32 E33 | G25-A29 PolarHBondContact O-N 3.05Å; S26-A29 PolarHBondContact O-N 3.1Å; A29-L31 VanDerWaalsContact C-N 3.34Å; A29-L31 PolarHBondContact O-N 2.87Å; A29-A32 PolarHBondContact O-N 2.73Å; A29-E33 WeakPolarHBondContact O-CB 3.27Å; A29-E33 PolarHBondContact O-N 2.94Å |
| 30 | L | 91.8 | Very high | 92.9 | Very high | 84 Ų | 84 | 86.3 Ų | 86.3 | 44% | 0.44 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 175.8 | -71.5 | 171.9 | 0 | 0 | 0 | 112.3 | S26 N27 E33 N34 | S26-L30 WeakPolarHBondContact O-CG 3.38Å; S26-L30 PolarHBondContact O-N 3.44Å; N27-L30 PolarHBondContact O-N 2.85Å; L30-E33 PolarHBondContact O-N 2.94Å; L30-N34 WeakPolarHBondContact O-CB 3.47Å; L30-N34 PolarHBondContact O-N 3.49Å; L30-N34 PolarHBondContact O-ND2 3.35Å |
| 31 | L | 94.8 | Very high | 92.7 | Very high | 104 Ų | 104 | 87.2 Ų | 87.2 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 174 | -76 | 169.5 | 0 | 0 | 0 | 111.4 | N27 V28 A29 E33 N34 D35 | N27-L31 WeakPolarHBondContact O-CB 3.4Å; N27-L31 VanDerWaalsContact O-CG 3.27Å; N27-L31 WeakPolarHBondContact O-CG 3.38Å; N27-L31 PolarHBondContact O-N 3.45Å; V28-L31 PolarHBondContact O-N 3.44Å; A29-L31 VanDerWaalsContact C-N 3.34Å; A29-L31 PolarHBondContact O-N 2.87Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-E33 PolarHBondContact O-N 3.31Å; L31-N34 PolarHBondContact O-N 3.02Å; L31-D35 PolarHBondContact O-N 3.01Å |
| 32 | A | 91.8 | Very high | 92.4 | Very high | 60 Ų | 60 | 83.6 Ų | 83.6 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V28 A29 M36 | V28-A32 PolarHBondContact O-N 3.39Å; A29-A32 PolarHBondContact O-N 2.73Å; A32-M36 WeakPolarHBondContact O-CB 3.47Å; A32-M36 PolarHBondContact O-N 3.39Å; A32-M36 VanDerWaalsContact O-N 3.08Å |
| 33 | E | 91.5 | Very high | 92 | Very high | 50 Ų | 50 | 81.5 Ų | 81.5 | 23% | 0.234 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65 | -46 | 174.4 | -167.1 | -171.5 | -180 | 0 | 0 | 111.4 | A29 L30 L31 M36 F37 K93 | A29-E33 WeakPolarHBondContact O-CB 3.27Å; A29-E33 PolarHBondContact O-N 2.94Å; L30-E33 PolarHBondContact O-N 2.94Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-E33 PolarHBondContact O-N 3.31Å; E33-M36 HydrophobicContact CG-CE 4.42Å; E33-M36 WeakPolarHBondContact O-CB 3.47Å; E33-M36 PolarHBondContact O-N 3.06Å; E33-F37 HydrophobicContact CG-CD2 4.15Å; E33-F37 HydrophobicContact CG-CE2 3.46Å; E33-F37 VanDerWaalsContact CG-CE2 3.46Å; E33-F37 HydrophobicContact CG-CZ 3.85Å; E33-F37 VanDerWaalsContact O-CD2 3.29Å; E33-F37 WeakPolarHBondContact O-CD2 3.35Å; E33-F37 WeakPolarHBondContact O-CG 3.36Å; E33-F37 PolarHBondContact O-N 3.4Å; E33-F37 WeakPolarHBondContact OE1-CE2 3.47Å; E33-F37 WeakPolarHBondContact OE1-CZ 3.41Å; E33-K93 WeakPolarHBondContact OE1-CD 3.23Å; E33-K93 WeakPolarHBondContact OE1-CE 3.41Å; E33-K93 IonicContact OE1-NZ 3.85Å; E33-K93 PolarHBondContact OE1-NZ 3.12Å; E33-K93 IonicContact OE2-NZ 2.65Å |
| 34 | N | 92.9 | Very high | 91.5 | Very high | 85 Ų | 85 | 79.8 Ų | 79.8 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.2 | -73.2 | -16.5 | 0 | 0 | 0 | 111.5 | L30 L31 M36 F37 E38 | L30-N34 WeakPolarHBondContact O-CB 3.47Å; L30-N34 PolarHBondContact O-N 3.49Å; L30-N34 PolarHBondContact O-ND2 3.35Å; L31-N34 PolarHBondContact O-N 3.02Å; N34-M36 VanDerWaalsContact C-N 3.27Å; N34-M36 PolarHBondContact O-N 2.92Å; N34-F37 PolarHBondContact O-N 3.43Å; N34-F37 VanDerWaalsContact O-N 3.14Å; N34-E38 WeakPolarHBondContact O-CG 3.39Å; N34-E38 PolarHBondContact O-N 3.39Å |
| 35 | D | 93.2 | Very high | 90.1 | Very high | 97 Ų | 97 | 75.8 Ų | 75.8 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 176.8 | -77.9 | -5.9 | 0 | 0 | 0 | 110.9 | L31 F37 E38 H39 | L31-D35 PolarHBondContact O-N 3.01Å; D35-F37 PolarHBondContact O-N 3.2Å; D35-E38 PolarHBondContact O-N 2.94Å; D35-H39 PolarHBondContact O-N 3.34Å; D35-H39 PolarHBondContact O-ND1 2.88Å |
| 36 | M | 92.9 | Very high | 88.5 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 19% | 0.192 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 176.8 | -179.2 | -81.9 | -59.7 | 0 | 0 | 112 | A32 E33 N34 H39 F40 V96 A97 E100 | A32-M36 WeakPolarHBondContact O-CB 3.47Å; A32-M36 PolarHBondContact O-N 3.39Å; A32-M36 VanDerWaalsContact O-N 3.08Å; E33-M36 HydrophobicContact CG-CE 4.42Å; E33-M36 WeakPolarHBondContact O-CB 3.47Å; E33-M36 PolarHBondContact O-N 3.06Å; N34-M36 VanDerWaalsContact C-N 3.27Å; N34-M36 PolarHBondContact O-N 2.92Å; M36-H39 PolarHBondContact O-N 2.95Å; M36-F40 WeakPolarHBondContact O-CB 3.28Å; M36-F40 PolarHBondContact O-N 3.36Å; M36-V96 HydrophobicContact CE-CG1 4.31Å; M36-V96 HydrophobicContact SD-CB 4.47Å; M36-V96 HydrophobicContact SD-CG1 3.6Å; M36-A97 HydrophobicContact CE-CB 4.12Å; M36-A97 HydrophobicContact SD-CB 4.42Å; M36-E100 HydrophobicContact CG-CB 4.09Å; M36-E100 HydrophobicContact CG-CG 4.1Å; M36-E100 HydrophobicContact SD-CB 4.2Å |
| 37 | F | 92.1 | Very high | 86.5 | Confident | 32 Ų | 32 | 83.4 Ų | 83.4 | 14% | 0.14 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 174.9 | -67.1 | -42.9 | 0 | 0 | 0 | 113.1 | E33 N34 D35 H39 F40 I41 L88 K93 V96 | E33-F37 HydrophobicContact CG-CD2 4.15Å; E33-F37 HydrophobicContact CG-CE2 3.46Å; E33-F37 VanDerWaalsContact CG-CE2 3.46Å; E33-F37 HydrophobicContact CG-CZ 3.85Å; E33-F37 VanDerWaalsContact O-CD2 3.29Å; E33-F37 WeakPolarHBondContact O-CD2 3.35Å; E33-F37 WeakPolarHBondContact O-CG 3.36Å; E33-F37 PolarHBondContact O-N 3.4Å; E33-F37 WeakPolarHBondContact OE1-CE2 3.47Å; E33-F37 WeakPolarHBondContact OE1-CZ 3.41Å; N34-F37 PolarHBondContact O-N 3.43Å; N34-F37 VanDerWaalsContact O-N 3.14Å; D35-F37 PolarHBondContact O-N 3.2Å; F37-H39 VanDerWaalsContact C-N 3.33Å; F37-H39 PolarHBondContact O-N 3.48Å; F37-F40 PolarHBondContact O-N 2.92Å; F37-I41 WeakPolarHBondContact O-CB 3.43Å; F37-I41 VanDerWaalsContact O-CG1 3.24Å; F37-I41 WeakPolarHBondContact O-CG1 3.44Å; F37-I41 PolarHBondContact O-N 3.15Å; F37-L88 HydrophobicContact CE1-CD1 4.44Å; F37-L88 HydrophobicContact CZ-CD1 4.43Å; F37-K93 HydrophobicContact CZ-CB 4.36Å; F37-K93 HydrophobicContact CZ-CD 4.33Å; F37-K93 HydrophobicContact CZ-CG 3.95Å; F37-V96 HydrophobicContact CD1-CB 4.39Å; F37-V96 HydrophobicContact CD1-CG1 3.65Å; F37-V96 HydrophobicContact CE1-CB 4.11Å; F37-V96 HydrophobicContact CE1-CG1 3.85Å |
| 38 | E | 92.1 | Very high | 84.4 | Confident | 129 Ų | 129 | 85.4 Ų | 85.4 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 176.2 | -70.9 | -66.8 | 165.9 | 0 | 0 | 111.5 | N34 D35 I41 G42 | N34-E38 WeakPolarHBondContact O-CG 3.39Å; N34-E38 PolarHBondContact O-N 3.39Å; D35-E38 PolarHBondContact O-N 2.94Å; E38-I41 PolarHBondContact O-N 3.36Å; E38-G42 PolarHBondContact O-N 2.93Å |
| 39 | H | 90.4 | Very high | 82.1 | Confident | 114 Ų | 114 | 86.7 Ų | 86.7 | 53% | 0.528 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 173.8 | -74.7 | 82 | 0 | 0 | 0 | 111.5 | D35 M36 F37 I41 G42 R43 E100 | D35-H39 PolarHBondContact O-N 3.34Å; D35-H39 PolarHBondContact O-ND1 2.88Å; M36-H39 PolarHBondContact O-N 2.95Å; F37-H39 VanDerWaalsContact C-N 3.33Å; F37-H39 PolarHBondContact O-N 3.48Å; H39-I41 PolarHBondContact O-N 2.84Å; H39-G42 PolarHBondContact O-N 3.44Å; H39-R43 WeakPolarHBondContact O-CG 3.38Å; H39-R43 PolarHBondContact O-N 3.39Å; H39-R43 VanDerWaalsContact O-N 3.09Å; H39-E100 HydrophobicContact CB-CG 4.29Å |
| 40 | F | 91.4 | Very high | 79.7 | Confident | 28 Ų | 28 | 91.9 Ų | 91.9 | 12% | 0.123 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 178 | -179.7 | -102.2 | 0 | 0 | 0 | 112 | M36 F37 R43 L44 V96 R99 | M36-F40 WeakPolarHBondContact O-CB 3.28Å; M36-F40 PolarHBondContact O-N 3.36Å; F37-F40 PolarHBondContact O-N 2.92Å; F40-R43 PolarHBondContact O-N 2.89Å; F40-L44 HydrophobicContact CD1-CD1 3.97Å; F40-L44 HydrophobicContact CE1-CD1 3.52Å; F40-L44 HydrophobicContact CE1-CG 4.37Å; F40-L44 HydrophobicContact CZ-CD1 4.03Å; F40-L44 WeakPolarHBondContact O-CG 3.29Å; F40-L44 PolarHBondContact O-N 3.35Å; F40-V96 HydrophobicContact CB-CG1 3.72Å; F40-V96 HydrophobicContact CD1-CG1 3.62Å; F40-V96 HydrophobicContact CD1-CG2 4.18Å; F40-V96 HydrophobicContact CD2-CG1 3.79Å; F40-V96 HydrophobicContact CE1-CG1 4.13Å; F40-V96 HydrophobicContact CE1-CG2 3.88Å; F40-V96 HydrophobicContact CE2-CG1 4.29Å; F40-V96 HydrophobicContact CG-CG1 3.42Å; F40-V96 VanDerWaalsContact CG-CG1 3.42Å; F40-V96 HydrophobicContact CZ-CG1 4.45Å; F40-V96 HydrophobicContact CZ-CG2 4.08Å; F40-R99 HydrophobicContact CE2-CB 4.37Å; F40-R99 HydrophobicContact CE2-CG 4.09Å |
| 41 | I | 89.6 | Confident | 77.1 | Confident | 99 Ų | 99 | 92.3 Ų | 92.3 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.8 | -67.9 | 165.6 | 0 | 0 | 0 | 110.3 | F37 E38 H39 R43 L44 | F37-I41 WeakPolarHBondContact O-CB 3.43Å; F37-I41 VanDerWaalsContact O-CG1 3.24Å; F37-I41 WeakPolarHBondContact O-CG1 3.44Å; F37-I41 PolarHBondContact O-N 3.15Å; E38-I41 PolarHBondContact O-N 3.36Å; H39-I41 PolarHBondContact O-N 2.84Å; I41-R43 PolarHBondContact O-N 3.14Å; I41-L44 PolarHBondContact O-N 3.29Å |
| 42 | G | 87.4 | Confident | 74.5 | Confident | 69 Ų | 69 | 96.5 Ų | 96.5 | 71% | 0.711 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -25.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E38 H39 | E38-G42 PolarHBondContact O-N 2.93Å; H39-G42 PolarHBondContact O-N 3.44Å |
| 43 | R | 85.5 | Confident | 71.9 | Confident | 95 Ų | 95 | 100 Ų | 100 | 36% | 0.358 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -84.2 | -18.4 | 174.2 | -67.6 | 174.2 | -172.6 | -84.7 | 5.9 | 113.6 | H39 F40 I41 D45 E100 E103 D107 | H39-R43 WeakPolarHBondContact O-CG 3.38Å; H39-R43 PolarHBondContact O-N 3.39Å; H39-R43 VanDerWaalsContact O-N 3.09Å; F40-R43 PolarHBondContact O-N 2.89Å; I41-R43 PolarHBondContact O-N 3.14Å; R43-D45 PolarHBondContact O-N 2.88Å; R43-E100 VanDerWaalsContact CD-OE2 3.31Å; R43-E100 WeakPolarHBondContact CD-OE2 3.5Å; R43-E100 IonicContact CZ-OE1 3.07Å; R43-E100 IonicContact NE-OE1 2.76Å; R43-E100 PolarHBondContact NE-OE1 3.43Å; R43-E100 IonicContact NE-OE2 3.33Å; R43-E100 PolarHBondContact NE-OE2 2.94Å; R43-E100 VanDerWaalsContact NE-OE2 3.12Å; R43-E100 IonicContact NH2-OE1 3.81Å; R43-E100 PolarHBondContact NH2-OE1 2.97Å; R43-E103 IonicContact NH1-OE1 3.12Å; R43-D107 IonicContact CZ-OD2 2.73Å; R43-D107 VanDerWaalsContact CZ-OD2 3.26Å; R43-D107 IonicContact NH1-OD2 3.5Å; R43-D107 PolarHBondContact NH1-OD2 3.3Å; R43-D107 IonicContact NH2-OD2 2.68Å; R43-D107 PolarHBondContact NH2-OD2 3.29Å |
| 44 | L | 82.6 | Confident | 69.1 | Low | 64 Ų | 64 | 101.6 Ų | 101.6 | 34% | 0.335 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -81.7 | 98.5 | 177.1 | -68.9 | 173.9 | 0 | 0 | 0 | 109.4 | F40 I41 | F40-L44 HydrophobicContact CD1-CD1 3.97Å; F40-L44 HydrophobicContact CE1-CD1 3.52Å; F40-L44 HydrophobicContact CE1-CG 4.37Å; F40-L44 HydrophobicContact CZ-CD1 4.03Å; F40-L44 WeakPolarHBondContact O-CG 3.29Å; F40-L44 PolarHBondContact O-N 3.35Å; I41-L44 PolarHBondContact O-N 3.29Å |
| 45 | D | 64.4 | Low | 66.1 | Low | 92 Ų | 92 | 100.8 Ų | 100.8 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | trans | -60.7 | 130.4 | 172.9 | -152.2 | -7.4 | 0 | 0 | 0 | 110.1 | R43 Q47 H48 | R43-D45 PolarHBondContact O-N 2.88Å; D45-Q47 PolarHBondContact O-N 3.08Å; D45-H48 PolarHBondContact O-N 3.49Å | ||
| 46 | P | 59.7 | Low | 63.2 | Low | 100 Ų | 100 | 105.7 Ų | 105.7 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -55 | -28 | -177.9 | -28.7 | 35.7 | 0 | 0 | 0 | 114.1 | H48 L49 | P46-H48 VanDerWaalsContact C-N 3.28Å; P46-H48 PolarHBondContact O-N 3.27Å; P46-L49 PolarHBondContact O-N 3.02Å |
| 47 | Q | 52.1 | Low | 60.1 | Low | 158 Ų | 158 | 107.2 Ų | 107.2 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.6 | -18.4 | 179.3 | -64.7 | -173.6 | -3.2 | 0 | 0 | 113.9 | D45 | D45-Q47 PolarHBondContact O-N 3.08Å |
| 48 | H | 47.9 | Very low | 57.2 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 65% | 0.648 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.4 | -18.4 | 179.5 | -96.2 | -65.3 | 0 | 0 | 0 | 113.8 | D45 P46 S51 | D45-H48 PolarHBondContact O-N 3.49Å; P46-H48 VanDerWaalsContact C-N 3.28Å; P46-H48 PolarHBondContact O-N 3.27Å; H48-S51 PolarHBondContact O-OG 3.06Å; H48-S51 VanDerWaalsContact O-OG 3.05Å |
| 49 | L | 48.6 | Very low | 54.3 | Low | 120 Ų | 120 | 116.8 Ų | 116.8 | 63% | 0.628 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.2 | -28.3 | 179.4 | -93.1 | 122.1 | 0 | 0 | 0 | 113.7 | P46 S51 | P46-L49 PolarHBondContact O-N 3.02Å; L49-S51 PolarHBondContact O-N 3.35Å |
| 50 | E | 40.4 | Very low | 51.4 | Low | 171 Ų | 171 | 119.5 Ų | 119.5 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -15.9 | -178.2 | -65.4 | -174.2 | 164 | 0 | 0 | 113.3 | K52 | E50-K52 PolarHBondContact O-N 3.48Š|
| 51 | S | 38.7 | Very low | 48.6 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -4 | -174.4 | 66.2 | 0 | 0 | 0 | 0 | 115.5 | H48 L49 | H48-S51 PolarHBondContact O-OG 3.06Å; H48-S51 VanDerWaalsContact O-OG 3.05Å; L49-S51 PolarHBondContact O-N 3.35Å |
| 52 | K | 40.3 | Very low | 45.9 | Very low | 192 Ų | 192 | 128 Ų | 128 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -118 | 0.6 | -171.1 | -119.3 | -179.7 | -178.2 | -178 | 0 | 117.1 | E50 | E50-K52 PolarHBondContact O-N 3.48Š|
| 53 | T | 36.3 | Very low | 43.1 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | trans | -115.1 | 58.4 | 177 | -32.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 54 | G | 32.8 | Very low | 40.4 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -97.9 | 101.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 55 | G | 30.5 | Very low | 38.3 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 173.7 | 96.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 56 | E | 31.5 | Very low | 36.8 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | 73.6 | 94.8 | 154.3 | -59.8 | -175 | 162 | 0 | 0 | 120 | ||||
| 57 | G | 28.7 | Very low | 35.7 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | 79.8 | 100.7 | 115.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 58 | L | 30.6 | Very low | 34.7 | Very low | 178 Ų | 178 | 135 Ų | 135 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | -173.5 | 122.2 | 116.3 | -98.7 | 152.9 | 0 | 0 | 0 | 110.3 | |||||
| 59 | Q | 31 | Very low | 34.4 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -61.6 | 141.5 | 168 | -74.2 | 170.1 | -0 | 0 | 0 | 110.2 | ||||
| 60 | L | 30.3 | Very low | 33.5 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | -153.1 | 153.8 | 129.7 | -92.2 | -179.4 | 0 | 0 | 0 | 110 | |||||
| 61 | T | 30.9 | Very low | 33.6 | Very low | 110 Ų | 110 | 127 Ų | 127 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | trans | -100.3 | 156.5 | -145.7 | -13.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 62 | Q | 33.8 | Very low | 33.5 | Very low | 195 Ų | 195 | 132 Ų | 132 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | 55.9 | 138 | 151.1 | -84.9 | 173.9 | -5.1 | 0 | 0 | 118.9 | ||||
| 63 | G | 27.7 | Very low | 33.5 | Very low | 63 Ų | 63 | 133.8 Ų | 133.8 | 65% | 0.649 | 83% | 0.831 | S | S | * | * | cis | 164.5 | -175.8 | 8.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 64 | S | 30.1 | Very low | 33.9 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 84% | 0.838 | S | S | * | * | trans | 96.9 | 120.5 | 168.2 | 76.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 65 | N | 39 | Very low | 34.4 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -66.2 | 140.1 | 165.7 | -72.7 | -35.4 | 0 | 0 | 0 | 110.9 | ||||
| 66 | V | 32.6 | Very low | 35 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 88% | 0.879 | 84% | 0.844 | S | S | * | * | trans | -144.3 | 124 | 141.9 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 67 | D | 35.5 | Very low | 35.4 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -76.5 | 148.6 | 167.9 | 177.3 | 34 | 0 | 0 | 0 | 110.5 | ||||
| 68 | G | 31.2 | Very low | 36.2 | Very low | 68 Ų | 68 | 152.6 Ų | 152.6 | 70% | 0.701 | 84% | 0.838 | S | S | * | * | trans | 149 | 100.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 69 | G | 41.3 | Very low | 36.7 | Very low | 87 Ų | 87 | 153.1 Ų | 153.1 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -63.1 | 155.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 70 | G | 30.8 | Very low | 37.2 | Very low | 74 Ų | 74 | 151.5 Ų | 151.5 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -176.2 | 108.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 71 | A | 41.7 | Very low | 38 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 6.1 | 108.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | R73 | A71-R73 VanDerWaalsContact C-N 3.27Å; A71-R73 PolarHBondContact O-N 2.9Å | ||
| 72 | E | 36.1 | Very low | 38.8 | Very low | 199 Ų | 199 | 150.7 Ų | 150.7 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -66.8 | 82.1 | 168.6 | -73 | -176.1 | 147.6 | 0 | 0 | 111.2 | R74 | E72-R74 PolarHBondContact O-N 3.33Š| ||
| 73 | R | 40.8 | Very low | 39.5 | Very low | 229 Ų | 229 | 149.3 Ų | 149.3 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -61.4 | 112.8 | 148 | -100 | 179.8 | 175.9 | 167.4 | -0.4 | 106.2 | A71 Q75 | A71-R73 VanDerWaalsContact C-N 3.27Å; A71-R73 PolarHBondContact O-N 2.9Å; R73-Q75 VanDerWaalsContact C-N 3.26Å; R73-Q75 PolarHBondContact O-N 3.45Å | ||
| 74 | R | 45.9 | Very low | 40.6 | Very low | 251 Ų | 251 | 152 Ų | 152 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | trans | -50 | 94.1 | 163.6 | -80.8 | -178.1 | 175 | 178.7 | -2.8 | 108.5 | E72 R76 | E72-R74 PolarHBondContact O-N 3.33Å; R74-R76 PolarHBondContact O-N 2.94Å | ||
| 75 | Q | 41.8 | Very low | 41.9 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -71.5 | 117.7 | 169.2 | -66.8 | -156.7 | 13.2 | 0 | 0 | 106.4 | R73 P77 | R73-Q75 VanDerWaalsContact C-N 3.26Å; R73-Q75 PolarHBondContact O-N 3.45Å; Q75-P77 WeakPolarHBondContact O-CD 3.49Å | ||
| 76 | R | 42.8 | Very low | 43.4 | Very low | 234 Ų | 234 | 154.1 Ų | 154.1 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -58 | 126.1 | 162.7 | -88.6 | 179.6 | 169.6 | 176.5 | -3.9 | 106.9 | R74 Q78 | R74-R76 PolarHBondContact O-N 2.94Å; R76-Q78 PolarHBondContact O-N 3.4Å | ||
| 77 | P | 40.7 | Very low | 45.7 | Very low | 104 Ų | 104 | 154 Ų | 154 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | trans | -60.6 | 115 | 173.8 | -17.6 | 29.6 | 0 | 0 | 0 | 108.2 | Q75 Y79 | Q75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-Y79 VanDerWaalsContact O-CD1 3.23Å; P77-Y79 WeakPolarHBondContact O-CD1 3.5Å; P77-Y79 VanDerWaalsContact O-CE1 3.3Å; P77-Y79 WeakPolarHBondContact O-CE1 3.34Å; P77-Y79 PolarHBondContact O-N 2.99Å | ||
| 78 | Q | 45.1 | Very low | 47.9 | Very low | 186 Ų | 186 | 150.2 Ų | 150.2 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -74.6 | 99.6 | 163.2 | -83.5 | -176.4 | -40.7 | 0 | 0 | 106.8 | R76 N80 | R76-Q78 PolarHBondContact O-N 3.4Å; Q78-N80 PolarHBondContact O-N 3.42Å | ||
| 79 | Y | 42.1 | Very low | 50.6 | Low | 188 Ų | 188 | 150.5 Ų | 150.5 | 74% | 0.737 | 78% | 0.782 | S | S | * | * | trans | -68.2 | 116 | 170.4 | 19.5 | -90.4 | 0 | 0 | 0 | 108.6 | P77 L81 | P77-Y79 VanDerWaalsContact O-CD1 3.23Å; P77-Y79 WeakPolarHBondContact O-CD1 3.5Å; P77-Y79 VanDerWaalsContact O-CE1 3.3Å; P77-Y79 WeakPolarHBondContact O-CE1 3.34Å; P77-Y79 PolarHBondContact O-N 2.99Å; Y79-L81 HydrophobicContact CD2-CD2 4.49Å; Y79-L81 PolarHBondContact O-N 3.47Å; Y79-L81 VanDerWaalsContact O-N 3.15Å | ||
| 80 | N | 42.1 | Very low | 52.8 | Low | 150 Ų | 150 | 153.2 Ų | 153.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -63.1 | 109.9 | 166.1 | -72.4 | -52.2 | 0 | 0 | 0 | 108.1 | Q78 S82 | Q78-N80 PolarHBondContact O-N 3.42Å; N80-S82 PolarHBondContact O-N 2.99Å | ||
| 81 | L | 46 | Very low | 55.7 | Low | 151 Ų | 151 | 157.4 Ų | 157.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 22.5 | -177.7 | -71.5 | 164 | 0 | 0 | 0 | 114.2 | Y79 | Y79-L81 HydrophobicContact CD2-CD2 4.49Å; Y79-L81 PolarHBondContact O-N 3.47Å; Y79-L81 VanDerWaalsContact O-N 3.15Å |
| 82 | S | 48.3 | Very low | 58 | Low | 114 Ų | 114 | 157 Ų | 157 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -2.6 | -175.3 | -165.6 | 0 | 0 | 0 | 0 | 114.1 | N80 | N80-S82 PolarHBondContact O-N 2.99Š|
| 83 | E | 48.4 | Very low | 60.5 | Low | 167 Ų | 167 | 150.6 Ų | 150.6 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -94.2 | 130.5 | 171.4 | -154.1 | 161.5 | -144.6 | 0 | 0 | 108 | L85 | E83-L85 PolarHBondContact O-N 3.22Š|
| 84 | P | 50 | Low | 63 | Low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | trans | -56.9 | 113.4 | 178.9 | -19.2 | 29.8 | 0 | 0 | 0 | 108.4 | Q86 | P84-Q86 PolarHBondContact O-N 3.03Š| ||
| 85 | L | 58.3 | Low | 65.2 | Low | 143 Ų | 143 | 138.8 Ų | 138.8 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | trans | -53.5 | 107.3 | 173.3 | -73.9 | 167.6 | 0 | 0 | 0 | 107.3 | E83 L87 | E83-L85 PolarHBondContact O-N 3.22Å; L85-L87 VanDerWaalsContact C-N 3.29Å; L85-L87 HydrophobicContact CB-CD1 4.38Å; L85-L87 PolarHBondContact O-N 3.18Å | ||
| 86 | Q | 69.8 | Low | 67.6 | Low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 65% | 0.654 | S | S | * | * | trans | -70.8 | 93.7 | 179.3 | -167.8 | 171.7 | 8.4 | 0 | 0 | 107.2 | P84 L88 | P84-Q86 PolarHBondContact O-N 3.03Å; Q86-L88 PolarHBondContact O-N 3.31Å | ||
| 87 | L | 80.4 | Confident | 70 | Confident | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 133.6 | 176.5 | -107 | 70.1 | 0 | 0 | 0 | 109.2 | L85 T89 | L85-L87 VanDerWaalsContact C-N 3.29Å; L85-L87 HydrophobicContact CB-CD1 4.38Å; L85-L87 PolarHBondContact O-N 3.18Å; L87-T89 PolarHBondContact O-N 3.19Å |
| 88 | L | 81.6 | Confident | 72.6 | Confident | 82 Ų | 82 | 123 Ų | 123 | 43% | 0.429 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 132.6 | 171.8 | -71.4 | 164.9 | 0 | 0 | 0 | 109.6 | F37 Q86 Q92 K93 | F37-L88 HydrophobicContact CE1-CD1 4.44Å; F37-L88 HydrophobicContact CZ-CD1 4.43Å; Q86-L88 PolarHBondContact O-N 3.31Å; L88-Q92 HydrophobicContact CB-CB 4.38Å; L88-Q92 HydrophobicContact CD2-CB 3.99Å; L88-K93 HydrophobicContact CB-CG 3.82Å |
| 89 | T | 88.6 | Confident | 74.9 | Confident | 74 Ų | 74 | 119.2 Ų | 119.2 | 45% | 0.454 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 156.3 | 172.8 | 66.7 | 0 | 0 | 0 | 0 | 110 | L87 E91 Q92 K93 | L87-T89 PolarHBondContact O-N 3.19Å; T89-E91 PolarHBondContact O-N 3Å; T89-Q92 WeakPolarHBondContact O-CB 3.47Å; T89-Q92 PolarHBondContact O-N 3.25Å; T89-Q92 VanDerWaalsContact OG1-CG 3.28Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.32Å; T89-Q92 PolarHBondContact OG1-N 3.41Å; T89-Q92 PolarHBondContact OG1-OE1 3.31Å; T89-K93 PolarHBondContact O-N 3.48Å |
| 90 | L | 88.1 | Confident | 77.3 | Confident | 144 Ų | 144 | 110.6 Ų | 110.6 | 75% | 0.754 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -56.1 | -36.7 | 179 | -176 | 65.7 | 0 | 0 | 0 | 112.1 | K93 L94 | L90-K93 PolarHBondContact O-N 3.32Å; L90-L94 WeakPolarHBondContact O-CB 3.33Å; L90-L94 PolarHBondContact O-N 2.73Å |
| 91 | E | 90.3 | Very high | 79.8 | Confident | 163 Ų | 163 | 106.3 Ų | 106.3 | 76% | 0.762 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.7 | -41.9 | 177 | -171.5 | 171.9 | -170.9 | 0 | 0 | 112.2 | T89 L94 Y95 | T89-E91 PolarHBondContact O-N 3Å; E91-L94 PolarHBondContact O-N 2.84Å; E91-Y95 PolarHBondContact O-N 2.88Å |
| 92 | Q | 89.9 | Confident | 82.1 | Confident | 92 Ų | 92 | 102.8 Ų | 102.8 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.2 | -70.3 | 168.1 | -25.6 | 0 | 0 | 111.6 | L88 T89 L94 Y95 V96 | L88-Q92 HydrophobicContact CB-CB 4.38Å; L88-Q92 HydrophobicContact CD2-CB 3.99Å; T89-Q92 WeakPolarHBondContact O-CB 3.47Å; T89-Q92 PolarHBondContact O-N 3.25Å; T89-Q92 VanDerWaalsContact OG1-CG 3.28Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.32Å; T89-Q92 PolarHBondContact OG1-N 3.41Å; T89-Q92 PolarHBondContact OG1-OE1 3.31Å; Q92-L94 VanDerWaalsContact C-N 3.34Å; Q92-L94 PolarHBondContact O-N 3.02Å; Q92-Y95 PolarHBondContact O-N 3.48Å; Q92-V96 WeakPolarHBondContact O-CG2 3.31Å; Q92-V96 PolarHBondContact O-N 2.84Å |
| 93 | K | 90.6 | Very high | 84.3 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 28% | 0.278 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.8 | -66.5 | -174.3 | 165.1 | -152 | 0 | 112 | E33 F37 L88 T89 L90 V96 A97 | E33-K93 WeakPolarHBondContact OE1-CD 3.23Å; E33-K93 WeakPolarHBondContact OE1-CE 3.41Å; E33-K93 IonicContact OE1-NZ 3.85Å; E33-K93 PolarHBondContact OE1-NZ 3.12Å; E33-K93 IonicContact OE2-NZ 2.65Å; F37-K93 HydrophobicContact CZ-CB 4.36Å; F37-K93 HydrophobicContact CZ-CD 4.33Å; F37-K93 HydrophobicContact CZ-CG 3.95Å; L88-K93 HydrophobicContact CB-CG 3.82Å; T89-K93 PolarHBondContact O-N 3.48Å; L90-K93 PolarHBondContact O-N 3.32Å; K93-V96 PolarHBondContact O-N 2.84Å; K93-A97 WeakPolarHBondContact O-CB 3.24Å; K93-A97 PolarHBondContact O-N 3.47Å |
| 94 | L | 92.1 | Very high | 86.4 | Confident | 108 Ų | 108 | 95.9 Ų | 95.9 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -41 | 177.5 | -169.2 | 148.4 | 0 | 0 | 0 | 111.6 | L90 E91 Q92 V96 A97 Q98 | L90-L94 WeakPolarHBondContact O-CB 3.33Å; L90-L94 PolarHBondContact O-N 2.73Å; E91-L94 PolarHBondContact O-N 2.84Å; Q92-L94 VanDerWaalsContact C-N 3.34Å; Q92-L94 PolarHBondContact O-N 3.02Å; L94-V96 PolarHBondContact O-N 3.04Å; L94-A97 PolarHBondContact O-N 3.12Å; L94-Q98 WeakPolarHBondContact O-CB 3.24Å; L94-Q98 PolarHBondContact O-N 3.04Å |
| 95 | Y | 92.8 | Very high | 88.6 | Confident | 124 Ų | 124 | 95.3 Ų | 95.3 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -47.1 | 173.3 | 172.3 | -95 | 0 | 0 | 0 | 111.9 | E91 Q92 Q98 R99 | E91-Y95 PolarHBondContact O-N 2.88Å; Q92-Y95 PolarHBondContact O-N 3.48Å; Y95-Q98 PolarHBondContact O-N 2.88Å; Y95-R99 VanDerWaalsContact O-CB 3.32Å; Y95-R99 WeakPolarHBondContact O-CB 3.49Å; Y95-R99 PolarHBondContact O-N 2.88Å; Y95-R99 PolarHBondContact OH-NH1 2.73Å |
| 96 | V | 92.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 90 Ų | 90 | 8% | 0.079 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 179.7 | 177 | 0 | 0 | 0 | 0 | 110.8 | M36 F37 F40 Q92 K93 L94 Q98 R99 E100 | M36-V96 HydrophobicContact CE-CG1 4.31Å; M36-V96 HydrophobicContact SD-CB 4.47Å; M36-V96 HydrophobicContact SD-CG1 3.6Å; F37-V96 HydrophobicContact CD1-CB 4.39Å; F37-V96 HydrophobicContact CD1-CG1 3.65Å; F37-V96 HydrophobicContact CE1-CB 4.11Å; F37-V96 HydrophobicContact CE1-CG1 3.85Å; F40-V96 HydrophobicContact CB-CG1 3.72Å; F40-V96 HydrophobicContact CD1-CG1 3.62Å; F40-V96 HydrophobicContact CD1-CG2 4.18Å; F40-V96 HydrophobicContact CD2-CG1 3.79Å; F40-V96 HydrophobicContact CE1-CG1 4.13Å; F40-V96 HydrophobicContact CE1-CG2 3.88Å; F40-V96 HydrophobicContact CE2-CG1 4.29Å; F40-V96 HydrophobicContact CG-CG1 3.42Å; F40-V96 VanDerWaalsContact CG-CG1 3.42Å; F40-V96 HydrophobicContact CZ-CG1 4.45Å; F40-V96 HydrophobicContact CZ-CG2 4.08Å; Q92-V96 WeakPolarHBondContact O-CG2 3.31Å; Q92-V96 PolarHBondContact O-N 2.84Å; K93-V96 PolarHBondContact O-N 2.84Å; L94-V96 PolarHBondContact O-N 3.04Å; V96-Q98 PolarHBondContact O-N 3.16Å; V96-R99 PolarHBondContact O-N 3.39Å; V96-E100 WeakPolarHBondContact O-CB 3.44Å; V96-E100 PolarHBondContact O-N 3.44Å |
| 97 | A | 92.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 83.5 Ų | 83.5 | 35% | 0.347 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M36 K93 L94 A101 | M36-A97 HydrophobicContact CE-CB 4.12Å; M36-A97 HydrophobicContact SD-CB 4.42Å; K93-A97 WeakPolarHBondContact O-CB 3.24Å; K93-A97 PolarHBondContact O-N 3.47Å; L94-A97 PolarHBondContact O-N 3.12Å; A97-A101 VanDerWaalsContact O-CB 3.23Å; A97-A101 WeakPolarHBondContact O-CB 3.42Å; A97-A101 PolarHBondContact O-N 3.23Å |
| 98 | Q | 94 | Very high | 92.4 | Very high | 126 Ų | 126 | 81.8 Ų | 81.8 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 178.8 | -172.3 | 173.1 | 9.2 | 0 | 0 | 111.4 | L94 Y95 V96 A101 T102 | L94-Q98 WeakPolarHBondContact O-CB 3.24Å; L94-Q98 PolarHBondContact O-N 3.04Å; Y95-Q98 PolarHBondContact O-N 2.88Å; V96-Q98 PolarHBondContact O-N 3.16Å; Q98-A101 PolarHBondContact O-N 3.43Å; Q98-T102 WeakPolarHBondContact O-CG2 3.48Å; Q98-T102 PolarHBondContact O-N 3.09Å; Q98-T102 PolarHBondContact O-OG1 2.94Å |
| 99 | R | 93.5 | Very high | 93.2 | Very high | 107 Ų | 107 | 82.9 Ų | 82.9 | 40% | 0.404 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 178.7 | -177.5 | 159.1 | 169.1 | -166.8 | -3.8 | 112 | F40 Y95 V96 A101 T102 E103 | F40-R99 HydrophobicContact CE2-CB 4.37Å; F40-R99 HydrophobicContact CE2-CG 4.09Å; Y95-R99 VanDerWaalsContact O-CB 3.32Å; Y95-R99 WeakPolarHBondContact O-CB 3.49Å; Y95-R99 PolarHBondContact O-N 2.88Å; Y95-R99 PolarHBondContact OH-NH1 2.73Å; V96-R99 PolarHBondContact O-N 3.39Å; R99-A101 VanDerWaalsContact C-N 3.3Å; R99-A101 PolarHBondContact O-N 3.04Å; R99-T102 WeakPolarHBondContact CA-OG1 3.44Å; R99-T102 PolarHBondContact O-N 3.01Å; R99-T102 PolarHBondContact O-OG1 3.36Å; R99-E103 PolarHBondContact O-N 3.21Å |
| 100 | E | 93.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 87 Ų | 87 | 4% | 0.037 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.3 | -35 | 178 | -171 | 55.2 | -141.1 | 0 | 0 | 111.8 | M36 H39 R43 V96 E103 T104 | M36-E100 HydrophobicContact CG-CB 4.09Å; M36-E100 HydrophobicContact CG-CG 4.1Å; M36-E100 HydrophobicContact SD-CB 4.2Å; H39-E100 HydrophobicContact CB-CG 4.29Å; R43-E100 VanDerWaalsContact CD-OE2 3.31Å; R43-E100 WeakPolarHBondContact CD-OE2 3.5Å; R43-E100 IonicContact CZ-OE1 3.07Å; R43-E100 IonicContact NE-OE1 2.76Å; R43-E100 PolarHBondContact NE-OE1 3.43Å; R43-E100 IonicContact NE-OE2 3.33Å; R43-E100 PolarHBondContact NE-OE2 2.94Å; R43-E100 VanDerWaalsContact NE-OE2 3.12Å; R43-E100 IonicContact NH2-OE1 3.81Å; R43-E100 PolarHBondContact NH2-OE1 2.97Å; V96-E100 WeakPolarHBondContact O-CB 3.44Å; V96-E100 PolarHBondContact O-N 3.44Å; E100-E103 PolarHBondContact O-N 2.94Å; E100-T104 VanDerWaalsContact O-CB 3.24Å; E100-T104 WeakPolarHBondContact O-CB 3.23Å; E100-T104 PolarHBondContact O-N 3.49Å; E100-T104 PolarHBondContact O-OG1 3.41Å; E100-T104 PolarHBondContact OE1-OG1 3.46Å; E100-T104 VanDerWaalsContact OE1-OG1 3.12Å |
| 101 | A | 93.6 | Very high | 94 | Very high | 60 Ų | 60 | 84.3 Ų | 84.3 | 50% | 0.496 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A97 Q98 R99 Q105 | A97-A101 VanDerWaalsContact O-CB 3.23Å; A97-A101 WeakPolarHBondContact O-CB 3.42Å; A97-A101 PolarHBondContact O-N 3.23Å; Q98-A101 PolarHBondContact O-N 3.43Å; R99-A101 VanDerWaalsContact C-N 3.3Å; R99-A101 PolarHBondContact O-N 3.04Å; A101-Q105 WeakPolarHBondContact O-CB 3.49Å; A101-Q105 PolarHBondContact O-N 3.28Å |
| 102 | T | 94.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 81.9 Ų | 81.9 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 177.4 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | Q98 R99 Q105 A106 | Q98-T102 WeakPolarHBondContact O-CG2 3.48Å; Q98-T102 PolarHBondContact O-N 3.09Å; Q98-T102 PolarHBondContact O-OG1 2.94Å; R99-T102 WeakPolarHBondContact CA-OG1 3.44Å; R99-T102 PolarHBondContact O-N 3.01Å; R99-T102 PolarHBondContact O-OG1 3.36Å; T102-Q105 PolarHBondContact O-N 3.4Å; T102-A106 PolarHBondContact O-N 2.92Å |
| 103 | E | 94.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 80 Ų | 80 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.6 | -42.9 | -179 | -166.4 | 71.6 | -160.8 | 0 | 0 | 111.1 | R43 R99 E100 Q105 A106 D107 | R43-E103 IonicContact NH1-OE1 3.12Å; R99-E103 PolarHBondContact O-N 3.21Å; E100-E103 PolarHBondContact O-N 2.94Å; E103-Q105 VanDerWaalsContact C-N 3.28Å; E103-Q105 PolarHBondContact O-N 3.33Å; E103-A106 WeakPolarHBondContact O-CB 3.3Å; E103-A106 PolarHBondContact O-N 2.88Å; E103-A106 VanDerWaalsContact O-N 3.16Å; E103-D107 PolarHBondContact O-N 2.72Å |
| 104 | T | 93.4 | Very high | 95.1 | Very high | 67 Ų | 67 | 79.7 Ų | 79.7 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | E100 D107 Q108 | E100-T104 VanDerWaalsContact O-CB 3.24Å; E100-T104 WeakPolarHBondContact O-CB 3.23Å; E100-T104 PolarHBondContact O-N 3.49Å; E100-T104 PolarHBondContact O-OG1 3.41Å; E100-T104 PolarHBondContact OE1-OG1 3.46Å; E100-T104 VanDerWaalsContact OE1-OG1 3.12Å; T104-D107 PolarHBondContact O-N 3.43Å; T104-Q108 WeakPolarHBondContact O-CB 3.25Å; T104-Q108 PolarHBondContact O-N 2.86Å |
| 105 | Q | 96.6 | Very high | 95.3 | Very high | 106 Ų | 106 | 81 Ų | 81 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 173.8 | -176.2 | 179.3 | -13.7 | 0 | 0 | 111.5 | A101 T102 E103 D107 Q108 E109 | A101-Q105 WeakPolarHBondContact O-CB 3.49Å; A101-Q105 PolarHBondContact O-N 3.28Å; T102-Q105 PolarHBondContact O-N 3.4Å; E103-Q105 VanDerWaalsContact C-N 3.28Å; E103-Q105 PolarHBondContact O-N 3.33Å; Q105-D107 VanDerWaalsContact C-N 3.34Å; Q105-D107 PolarHBondContact O-N 2.88Å; Q105-Q108 WeakPolarHBondContact O-CB 3.29Å; Q105-Q108 PolarHBondContact O-N 3.49Å; Q105-E109 PolarHBondContact NE2-OE1 2.94Å; Q105-E109 WeakPolarHBondContact O-CG 3.34Å; Q105-E109 PolarHBondContact O-N 3.32Å |
| 106 | A | 96.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 81.1 Ų | 81.1 | 26% | 0.256 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | T102 E103 E109 R110 | T102-A106 PolarHBondContact O-N 2.92Å; E103-A106 WeakPolarHBondContact O-CB 3.3Å; E103-A106 PolarHBondContact O-N 2.88Å; E103-A106 VanDerWaalsContact O-N 3.16Å; A106-E109 PolarHBondContact O-N 3.26Å; A106-R110 WeakPolarHBondContact O-CB 3.46Å; A106-R110 VanDerWaalsContact O-CG 3.28Å; A106-R110 WeakPolarHBondContact O-CG 3.16Å; A106-R110 PolarHBondContact O-N 3.46Å |
| 107 | D | 94.3 | Very high | 95.8 | Very high | 54 Ų | 54 | 88 Ų | 88 | 29% | 0.289 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.2 | -74 | -24.7 | 0 | 0 | 0 | 112 | R43 E103 T104 Q105 E109 R110 L111 | R43-D107 IonicContact CZ-OD2 2.73Å; R43-D107 VanDerWaalsContact CZ-OD2 3.26Å; R43-D107 IonicContact NH1-OD2 3.5Å; R43-D107 PolarHBondContact NH1-OD2 3.3Å; R43-D107 IonicContact NH2-OD2 2.68Å; R43-D107 PolarHBondContact NH2-OD2 3.29Å; E103-D107 PolarHBondContact O-N 2.72Å; T104-D107 PolarHBondContact O-N 3.43Å; Q105-D107 VanDerWaalsContact C-N 3.34Å; Q105-D107 PolarHBondContact O-N 2.88Å; D107-E109 VanDerWaalsContact C-N 3.35Å; D107-E109 PolarHBondContact O-N 2.91Å; D107-R110 PolarHBondContact O-N 3.32Å; D107-R110 IonicContact OD1-NH1 3.82Å; D107-R110 PolarHBondContact OD1-NH1 3.11Å; D107-L111 VanDerWaalsContact O-CB 3.25Å; D107-L111 WeakPolarHBondContact O-CB 3.49Å; D107-L111 PolarHBondContact O-N 2.74Å |
| 108 | Q | 96.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 88.6 Ų | 88.6 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 175.2 | -168.3 | -176.7 | 6.6 | 0 | 0 | 111.6 | T104 Q105 L111 K112 | T104-Q108 WeakPolarHBondContact O-CB 3.25Å; T104-Q108 PolarHBondContact O-N 2.86Å; Q105-Q108 WeakPolarHBondContact O-CB 3.29Å; Q105-Q108 PolarHBondContact O-N 3.49Å; Q108-L111 PolarHBondContact O-N 3.23Å; Q108-K112 WeakPolarHBondContact O-CB 3.49Å; Q108-K112 VanDerWaalsContact O-CG 3.29Å; Q108-K112 WeakPolarHBondContact O-CG 3.28Å; Q108-K112 PolarHBondContact O-N 2.99Å |
| 109 | E | 97.6 | Very high | 96.3 | Very high | 106 Ų | 106 | 87.3 Ų | 87.3 | 50% | 0.495 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 176 | -73.2 | 175 | -168.5 | 0 | 0 | 111.9 | Q105 A106 D107 L111 K112 A113 | Q105-E109 PolarHBondContact NE2-OE1 2.94Å; Q105-E109 WeakPolarHBondContact O-CG 3.34Å; Q105-E109 PolarHBondContact O-N 3.32Å; A106-E109 PolarHBondContact O-N 3.26Å; D107-E109 VanDerWaalsContact C-N 3.35Å; D107-E109 PolarHBondContact O-N 2.91Å; E109-L111 VanDerWaalsContact C-N 3.3Å; E109-L111 PolarHBondContact O-N 3.38Å; E109-K112 PolarHBondContact O-N 3.03Å; E109-A113 WeakPolarHBondContact O-CB 3.45Å; E109-A113 PolarHBondContact O-N 2.85Å |
| 110 | R | 97.6 | Very high | 96.5 | Very high | 161 Ų | 161 | 86.1 Ų | 86.1 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -57.9 | -43.8 | 173.3 | -75.5 | 172.3 | 176.9 | 166.5 | 0.7 | 111.6 | A106 D107 A113 N114 | A106-R110 WeakPolarHBondContact O-CB 3.46Å; A106-R110 VanDerWaalsContact O-CG 3.28Å; A106-R110 WeakPolarHBondContact O-CG 3.16Å; A106-R110 PolarHBondContact O-N 3.46Å; D107-R110 PolarHBondContact O-N 3.32Å; D107-R110 IonicContact OD1-NH1 3.82Å; D107-R110 PolarHBondContact OD1-NH1 3.11Å; R110-A113 PolarHBondContact O-N 3.25Å; R110-N114 WeakPolarHBondContact O-CB 3.34Å; R110-N114 PolarHBondContact O-N 3.4Å |
| 111 | L | 97.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 90.5 Ų | 90.5 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 179.3 | -175.1 | 62.8 | 0 | 0 | 0 | 111.3 | D107 Q108 E109 N114 Y115 | D107-L111 VanDerWaalsContact O-CB 3.25Å; D107-L111 WeakPolarHBondContact O-CB 3.49Å; D107-L111 PolarHBondContact O-N 2.74Å; Q108-L111 PolarHBondContact O-N 3.23Å; E109-L111 VanDerWaalsContact C-N 3.3Å; E109-L111 PolarHBondContact O-N 3.38Å; L111-N114 PolarHBondContact O-N 2.97Å; L111-Y115 HydrophobicContact CD1-CD2 4.07Å; L111-Y115 HydrophobicContact CD1-CE2 3.47Å; L111-Y115 VanDerWaalsContact CD1-CE2 3.47Å; L111-Y115 HydrophobicContact CD2-CE2 3.99Å; L111-Y115 HydrophobicContact CG-CD2 3.88Å; L111-Y115 HydrophobicContact CG-CE2 3.46Å; L111-Y115 VanDerWaalsContact CG-CE2 3.46Å; L111-Y115 WeakPolarHBondContact O-CD2 3.37Å; L111-Y115 PolarHBondContact O-N 3.5Å |
| 112 | K | 97.9 | Very high | 96.9 | Very high | 111 Ų | 111 | 95 Ų | 95 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.7 | -51 | 173.7 | -76.2 | 171.6 | -178.6 | 172 | 0 | 111.6 | Q108 E109 N114 Y115 E116 | Q108-K112 WeakPolarHBondContact O-CB 3.49Å; Q108-K112 VanDerWaalsContact O-CG 3.29Å; Q108-K112 WeakPolarHBondContact O-CG 3.28Å; Q108-K112 PolarHBondContact O-N 2.99Å; E109-K112 PolarHBondContact O-N 3.03Å; K112-N114 VanDerWaalsContact C-N 3.26Å; K112-N114 PolarHBondContact O-N 3.32Å; K112-Y115 PolarHBondContact O-N 3.05Å; K112-Y115 VanDerWaalsContact O-N 3.11Å; K112-E116 WeakPolarHBondContact O-CG 3.45Å; K112-E116 PolarHBondContact O-N 3.47Å |
| 113 | A | 97.8 | Very high | 97.1 | Very high | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.5 | -37.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E109 R110 R117 | E109-A113 WeakPolarHBondContact O-CB 3.45Å; E109-A113 PolarHBondContact O-N 2.85Å; R110-A113 PolarHBondContact O-N 3.25Å; A113-R117 WeakPolarHBondContact O-CB 3.49Å; A113-R117 PolarHBondContact O-N 2.94Å |
| 114 | N | 97.6 | Very high | 97.2 | Very high | 58 Ų | 58 | 96.7 Ų | 96.7 | 31% | 0.31 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 175.6 | -169.6 | 30.5 | 0 | 0 | 0 | 111.8 | R110 L111 K112 R117 I118 | R110-N114 WeakPolarHBondContact O-CB 3.34Å; R110-N114 PolarHBondContact O-N 3.4Å; L111-N114 PolarHBondContact O-N 2.97Å; K112-N114 VanDerWaalsContact C-N 3.26Å; K112-N114 PolarHBondContact O-N 3.32Å; N114-R117 PolarHBondContact O-N 2.94Å; N114-R117 PolarHBondContact OD1-NH2 2.87Å; N114-I118 WeakPolarHBondContact O-CB 3.45Å; N114-I118 WeakPolarHBondContact O-CD1 3.22Å; N114-I118 WeakPolarHBondContact O-CG1 3.49Å; N114-I118 PolarHBondContact O-N 3Å |
| 115 | Y | 97.8 | Very high | 97.4 | Very high | 135 Ų | 135 | 100 Ų | 100 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.3 | -76.7 | -58 | 0 | 0 | 0 | 112.7 | L111 K112 I118 L119 | L111-Y115 HydrophobicContact CD1-CD2 4.07Å; L111-Y115 HydrophobicContact CD1-CE2 3.47Å; L111-Y115 VanDerWaalsContact CD1-CE2 3.47Å; L111-Y115 HydrophobicContact CD2-CE2 3.99Å; L111-Y115 HydrophobicContact CG-CD2 3.88Å; L111-Y115 HydrophobicContact CG-CE2 3.46Å; L111-Y115 VanDerWaalsContact CG-CE2 3.46Å; L111-Y115 WeakPolarHBondContact O-CD2 3.37Å; L111-Y115 PolarHBondContact O-N 3.5Å; K112-Y115 PolarHBondContact O-N 3.05Å; K112-Y115 VanDerWaalsContact O-N 3.11Å; Y115-I118 PolarHBondContact O-N 3.47Å; Y115-L119 WeakPolarHBondContact O-CB 3.5Å; Y115-L119 WeakPolarHBondContact O-CG 3.42Å; Y115-L119 PolarHBondContact O-N 3.45Å |
| 116 | E | 97.9 | Very high | 97.5 | Very high | 126 Ų | 126 | 99.7 Ų | 99.7 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.7 | -47.1 | 174.8 | -73.7 | 177.6 | 175.1 | 0 | 0 | 111.3 | K112 I118 L119 D120 | K112-E116 WeakPolarHBondContact O-CG 3.45Å; K112-E116 PolarHBondContact O-N 3.47Å; E116-I118 VanDerWaalsContact C-N 3.32Å; E116-I118 PolarHBondContact O-N 3.21Å; E116-L119 PolarHBondContact O-N 2.88Å; E116-D120 WeakPolarHBondContact O-CB 3.5Å; E116-D120 PolarHBondContact O-N 3.21Å |
| 117 | R | 98.1 | Very high | 97.5 | Very high | 157 Ų | 157 | 105.3 Ų | 105.3 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.6 | -43.3 | 175.1 | -175.5 | -177.6 | 64.8 | 146.4 | -0.9 | 112.1 | A113 N114 D120 N121 | A113-R117 WeakPolarHBondContact O-CB 3.49Å; A113-R117 PolarHBondContact O-N 2.94Å; N114-R117 PolarHBondContact O-N 2.94Å; N114-R117 PolarHBondContact OD1-NH2 2.87Å; R117-D120 PolarHBondContact O-N 2.8Å; R117-N121 WeakPolarHBondContact O-CB 3.39Å; R117-N121 PolarHBondContact O-N 2.82Å; R117-N121 PolarHBondContact O-ND2 3.28Å |
| 118 | I | 97.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 106.9 Ų | 106.9 | 29% | 0.287 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 177.5 | -71 | 165.5 | 0 | 0 | 0 | 110.5 | N114 Y115 E116 D120 N121 Y122 | N114-I118 WeakPolarHBondContact O-CB 3.45Å; N114-I118 WeakPolarHBondContact O-CD1 3.22Å; N114-I118 WeakPolarHBondContact O-CG1 3.49Å; N114-I118 PolarHBondContact O-N 3Å; Y115-I118 PolarHBondContact O-N 3.47Å; E116-I118 VanDerWaalsContact C-N 3.32Å; E116-I118 PolarHBondContact O-N 3.21Å; I118-D120 VanDerWaalsContact C-N 3.35Å; I118-D120 PolarHBondContact O-N 3.38Å; I118-N121 WeakPolarHBondContact O-CB 3.47Å; I118-N121 PolarHBondContact O-N 3.47Å; I118-Y122 HydrophobicContact CG2-CD2 3.67Å; I118-Y122 HydrophobicContact CG2-CE2 3.36Å; I118-Y122 WeakPolarHBondContact O-CD2 3.33Å; I118-Y122 PolarHBondContact O-N 3.41Å |
| 119 | L | 98 | Very high | 97.6 | Very high | 99 Ų | 99 | 104 Ų | 104 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 177.5 | -75.9 | 171.8 | 0 | 0 | 0 | 111.7 | Y115 E116 N121 Y122 K123 | Y115-L119 WeakPolarHBondContact O-CB 3.5Å; Y115-L119 WeakPolarHBondContact O-CG 3.42Å; Y115-L119 PolarHBondContact O-N 3.45Å; E116-L119 PolarHBondContact O-N 2.88Å; L119-N121 VanDerWaalsContact C-N 3.34Å; L119-Y122 PolarHBondContact O-N 3.25Å; L119-K123 WeakPolarHBondContact O-CG 3.17Å; L119-K123 PolarHBondContact O-N 3.32Å |
| 120 | D | 97.9 | Very high | 97.6 | Very high | 81 Ų | 81 | 103.7 Ų | 103.7 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.7 | -33.9 | 179.4 | -73.3 | -15.3 | 0 | 0 | 0 | 112.5 | E116 R117 I118 K123 S124 | E116-D120 WeakPolarHBondContact O-CB 3.5Å; E116-D120 PolarHBondContact O-N 3.21Å; R117-D120 PolarHBondContact O-N 2.8Å; I118-D120 VanDerWaalsContact C-N 3.35Å; I118-D120 PolarHBondContact O-N 3.38Å; D120-K123 PolarHBondContact O-N 2.98Å; D120-K123 IonicContact OD1-NZ 3.35Å; D120-K123 PolarHBondContact OD1-NZ 3.11Å; D120-S124 WeakPolarHBondContact O-CB 3.32Å; D120-S124 PolarHBondContact O-N 2.77Å; D120-S124 PolarHBondContact O-OG 2.91Å |
| 121 | N | 97.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 169.6 | -72.9 | -17.9 | 0 | 0 | 0 | 111.4 | R117 I118 L119 S124 F125 | R117-N121 WeakPolarHBondContact O-CB 3.39Å; R117-N121 PolarHBondContact O-N 2.82Å; R117-N121 PolarHBondContact O-ND2 3.28Å; I118-N121 WeakPolarHBondContact O-CB 3.47Å; I118-N121 PolarHBondContact O-N 3.47Å; L119-N121 VanDerWaalsContact C-N 3.34Å; N121-S124 PolarHBondContact O-N 2.88Å; N121-F125 WeakPolarHBondContact O-CB 3.46Å; N121-F125 PolarHBondContact O-N 2.92Å |
| 122 | Y | 98.1 | Very high | 97.6 | Very high | 154 Ų | 154 | 103.5 Ų | 103.5 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 177.5 | -76.1 | -59.1 | 0 | 0 | 0 | 112.6 | I118 L119 S124 F125 I126 | I118-Y122 HydrophobicContact CG2-CD2 3.67Å; I118-Y122 HydrophobicContact CG2-CE2 3.36Å; I118-Y122 WeakPolarHBondContact O-CD2 3.33Å; I118-Y122 PolarHBondContact O-N 3.41Å; L119-Y122 PolarHBondContact O-N 3.25Å; Y122-S124 VanDerWaalsContact C-N 3.29Å; Y122-S124 PolarHBondContact O-N 3.01Å; Y122-F125 PolarHBondContact O-N 3.27Å; Y122-I126 VanDerWaalsContact O-CG1 3.32Å; Y122-I126 WeakPolarHBondContact O-CG1 3.32Å; Y122-I126 PolarHBondContact O-N 2.85Å |
| 123 | K | 98.3 | Very high | 97.5 | Very high | 111 Ų | 111 | 100.3 Ų | 100.3 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 173.6 | -71 | 173.2 | -162 | 156 | 0 | 111.3 | L119 D120 K127 | L119-K123 WeakPolarHBondContact O-CG 3.17Å; L119-K123 PolarHBondContact O-N 3.32Å; D120-K123 PolarHBondContact O-N 2.98Å; D120-K123 IonicContact OD1-NZ 3.35Å; D120-K123 PolarHBondContact OD1-NZ 3.11Å; K123-K127 WeakPolarHBondContact O-CG 3.32Å; K123-K127 PolarHBondContact O-N 3.38Å; K123-K127 VanDerWaalsContact O-N 3.11Å |
| 124 | S | 97.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 178.1 | -59 | 0 | 0 | 0 | 0 | 111.5 | D120 N121 Y122 K127 E128 | D120-S124 WeakPolarHBondContact O-CB 3.32Å; D120-S124 PolarHBondContact O-N 2.77Å; D120-S124 PolarHBondContact O-OG 2.91Å; N121-S124 PolarHBondContact O-N 2.88Å; Y122-S124 VanDerWaalsContact C-N 3.29Å; Y122-S124 PolarHBondContact O-N 3.01Å; S124-K127 PolarHBondContact O-N 3.2Å; S124-E128 WeakPolarHBondContact O-CB 3.5Å; S124-E128 PolarHBondContact O-N 3.38Å |
| 125 | F | 97.2 | Very high | 97.4 | Very high | 137 Ų | 137 | 103 Ų | 103 | 60% | 0.601 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 176.4 | -179.2 | -98.8 | 0 | 0 | 0 | 112.4 | N121 Y122 E128 A129 | N121-F125 WeakPolarHBondContact O-CB 3.46Å; N121-F125 PolarHBondContact O-N 2.92Å; Y122-F125 PolarHBondContact O-N 3.27Å; F125-E128 PolarHBondContact O-N 2.87Å; F125-A129 WeakPolarHBondContact O-CB 3.44Å; F125-A129 PolarHBondContact O-N 2.93Å |
| 126 | I | 97.8 | Very high | 97.3 | Very high | 98 Ų | 98 | 102.1 Ų | 102.1 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 176.7 | -68.5 | 166.6 | 0 | 0 | 0 | 110.4 | Y122 E128 A129 D130 | Y122-I126 VanDerWaalsContact O-CG1 3.32Å; Y122-I126 WeakPolarHBondContact O-CG1 3.32Å; Y122-I126 PolarHBondContact O-N 2.85Å; I126-E128 VanDerWaalsContact C-N 3.32Å; I126-E128 PolarHBondContact O-N 2.89Å; I126-A129 PolarHBondContact O-N 3.48Å; I126-D130 PolarHBondContact O-N 2.97Å |
| 127 | K | 97.4 | Very high | 97.2 | Very high | 149 Ų | 149 | 102.1 Ų | 102.1 | 65% | 0.648 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 177.3 | -72.9 | 174.8 | -178.7 | 179.9 | 0 | 112.3 | K123 S124 L131 | K123-K127 WeakPolarHBondContact O-CG 3.32Å; K123-K127 PolarHBondContact O-N 3.38Å; K123-K127 VanDerWaalsContact O-N 3.11Å; S124-K127 PolarHBondContact O-N 3.2Å; K127-L131 WeakPolarHBondContact O-CB 3.36Å; K127-L131 PolarHBondContact O-N 3.46Å |
| 128 | E | 96.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.4 | -174.6 | -178.4 | 178.2 | 0 | 0 | 111.7 | S124 F125 I126 D130 L131 R132 | S124-E128 WeakPolarHBondContact O-CB 3.5Å; S124-E128 PolarHBondContact O-N 3.38Å; F125-E128 PolarHBondContact O-N 2.87Å; I126-E128 VanDerWaalsContact C-N 3.32Å; I126-E128 PolarHBondContact O-N 2.89Å; E128-D130 VanDerWaalsContact C-N 3.34Å; E128-D130 PolarHBondContact O-N 3.22Å; E128-L131 WeakPolarHBondContact O-CB 3.24Å; E128-L131 PolarHBondContact O-N 3.21Å; E128-R132 WeakPolarHBondContact O-CB 3.38Å; E128-R132 WeakPolarHBondContact O-CG 3.49Å; E128-R132 PolarHBondContact O-N 3.07Å; E128-R132 IonicContact OE1-CZ 2.71Å; E128-R132 IonicContact OE1-NE 2.84Å; E128-R132 PolarHBondContact OE1-NE 3.31Å; E128-R132 IonicContact OE1-NH2 3.81Å; E128-R132 PolarHBondContact OE1-NH2 3.34Å |
| 129 | A | 97 | Very high | 96.7 | Very high | 45 Ų | 45 | 100.6 Ų | 100.6 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F125 I126 R132 S133 | F125-A129 WeakPolarHBondContact O-CB 3.44Å; F125-A129 PolarHBondContact O-N 2.93Å; I126-A129 PolarHBondContact O-N 3.48Å; A129-R132 PolarHBondContact O-N 3.32Å; A129-S133 VanDerWaalsContact O-CB 3.28Å; A129-S133 WeakPolarHBondContact O-CB 3.37Å; A129-S133 PolarHBondContact O-N 3.27Å |
| 130 | D | 97.5 | Very high | 96.4 | Very high | 99 Ų | 99 | 102 Ų | 102 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 173.9 | -77.4 | -25.5 | 0 | 0 | 0 | 111.4 | I126 E128 R132 S133 T134 | I126-D130 PolarHBondContact O-N 2.97Å; E128-D130 VanDerWaalsContact C-N 3.34Å; E128-D130 PolarHBondContact O-N 3.22Å; D130-R132 PolarHBondContact O-N 3.49Å; D130-S133 WeakPolarHBondContact O-CB 3.44Å; D130-S133 PolarHBondContact O-N 2.91Å; D130-T134 WeakPolarHBondContact O-CG2 3.28Å; D130-T134 PolarHBondContact O-N 2.84Å |
| 131 | L | 97.1 | Very high | 96.1 | Very high | 99 Ų | 99 | 105.1 Ų | 105.1 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.1 | -52.9 | 175.5 | -172.3 | 75.6 | 0 | 0 | 0 | 110.6 | K127 E128 S133 T134 E135 | K127-L131 WeakPolarHBondContact O-CB 3.36Å; K127-L131 PolarHBondContact O-N 3.46Å; E128-L131 WeakPolarHBondContact O-CB 3.24Å; E128-L131 PolarHBondContact O-N 3.21Å; L131-S133 VanDerWaalsContact C-N 3.29Å; L131-S133 PolarHBondContact O-N 2.87Å; L131-T134 PolarHBondContact O-N 2.91Å; L131-T134 PolarHBondContact O-OG1 2.65Å; L131-E135 WeakPolarHBondContact O-CG 3.41Å; L131-E135 PolarHBondContact O-N 3.49Å |
| 132 | R | 96.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 103.4 Ų | 103.4 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 177.2 | -71.9 | -175 | -176.2 | -170.9 | 2.9 | 112.1 | E128 A129 D130 T134 E135 I136 | E128-R132 WeakPolarHBondContact O-CB 3.38Å; E128-R132 WeakPolarHBondContact O-CG 3.49Å; E128-R132 PolarHBondContact O-N 3.07Å; E128-R132 IonicContact OE1-CZ 2.71Å; E128-R132 IonicContact OE1-NE 2.84Å; E128-R132 PolarHBondContact OE1-NE 3.31Å; E128-R132 IonicContact OE1-NH2 3.81Å; E128-R132 PolarHBondContact OE1-NH2 3.34Å; A129-R132 PolarHBondContact O-N 3.32Å; D130-R132 PolarHBondContact O-N 3.49Å; R132-T134 VanDerWaalsContact C-N 3.35Å; R132-T134 PolarHBondContact O-N 2.71Å; R132-E135 PolarHBondContact O-N 2.97Å; R132-I136 WeakPolarHBondContact O-CB 3.22Å; R132-I136 WeakPolarHBondContact O-CD1 3.31Å; R132-I136 VanDerWaalsContact O-CG1 3.22Å; R132-I136 WeakPolarHBondContact O-CG1 3.43Å; R132-I136 PolarHBondContact O-N 3.31Å |
| 133 | S | 96.9 | Very high | 95 | Very high | 45 Ų | 45 | 99.6 Ų | 99.6 | 32% | 0.315 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.9 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | A129 D130 L131 K137 | A129-S133 VanDerWaalsContact O-CB 3.28Å; A129-S133 WeakPolarHBondContact O-CB 3.37Å; A129-S133 PolarHBondContact O-N 3.27Å; D130-S133 WeakPolarHBondContact O-CB 3.44Å; D130-S133 PolarHBondContact O-N 2.91Å; L131-S133 VanDerWaalsContact C-N 3.29Å; L131-S133 PolarHBondContact O-N 2.87Å; S133-K137 WeakPolarHBondContact O-CB 3.47Å; S133-K137 VanDerWaalsContact O-CG 3.24Å; S133-K137 WeakPolarHBondContact O-CG 3.5Å; S133-K137 PolarHBondContact O-N 2.87Å |
| 134 | T | 97.3 | Very high | 94.4 | Very high | 64 Ų | 64 | 97.6 Ų | 97.6 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 175.4 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | D130 L131 R132 K137 K138 | D130-T134 WeakPolarHBondContact O-CG2 3.28Å; D130-T134 PolarHBondContact O-N 2.84Å; L131-T134 PolarHBondContact O-N 2.91Å; L131-T134 PolarHBondContact O-OG1 2.65Å; R132-T134 VanDerWaalsContact C-N 3.35Å; R132-T134 PolarHBondContact O-N 2.71Å; T134-K137 PolarHBondContact O-N 3.38Å; T134-K138 WeakPolarHBondContact O-CB 3.43Å; T134-K138 VanDerWaalsContact O-CG 3.31Å; T134-K138 WeakPolarHBondContact O-CG 3.28Å; T134-K138 PolarHBondContact O-N 2.9Å |
| 135 | E | 94.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 100.8 Ų | 100.8 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.8 | -72 | 173.6 | 179.5 | 0 | 0 | 111.6 | L131 R132 K137 K138 A139 | L131-E135 WeakPolarHBondContact O-CG 3.41Å; L131-E135 PolarHBondContact O-N 3.49Å; R132-E135 PolarHBondContact O-N 2.97Å; E135-K137 PolarHBondContact O-N 2.81Å; E135-K138 PolarHBondContact O-N 3.34Å; E135-A139 VanDerWaalsContact O-CB 3.32Å; E135-A139 WeakPolarHBondContact O-CB 3.5Å; E135-A139 PolarHBondContact O-N 3.31Å |
| 136 | I | 95.7 | Very high | 92.9 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 60% | 0.595 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 175.8 | -69.4 | 165.1 | 0 | 0 | 0 | 110.4 | R132 K138 A139 K140 | R132-I136 WeakPolarHBondContact O-CB 3.22Å; R132-I136 WeakPolarHBondContact O-CD1 3.31Å; R132-I136 VanDerWaalsContact O-CG1 3.22Å; R132-I136 WeakPolarHBondContact O-CG1 3.43Å; R132-I136 PolarHBondContact O-N 3.31Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 3.07Å; I136-A139 PolarHBondContact O-N 2.76Å; I136-K140 VanDerWaalsContact O-CB 3.28Å; I136-K140 WeakPolarHBondContact O-CB 3.39Å; I136-K140 PolarHBondContact O-N 3.48Å |
| 137 | K | 96.5 | Very high | 91.8 | Very high | 127 Ų | 127 | 97.9 Ų | 97.9 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 176.7 | -75.1 | 170.4 | -175.6 | 172.6 | 0 | 111.8 | S133 T134 E135 K141 | S133-K137 WeakPolarHBondContact O-CB 3.47Å; S133-K137 VanDerWaalsContact O-CG 3.24Å; S133-K137 WeakPolarHBondContact O-CG 3.5Å; S133-K137 PolarHBondContact O-N 2.87Å; T134-K137 PolarHBondContact O-N 3.38Å; E135-K137 PolarHBondContact O-N 2.81Å; K137-K141 WeakPolarHBondContact O-CG 3.45Å; K137-K141 PolarHBondContact O-N 3.01Å |
| 138 | K | 95.5 | Very high | 90.5 | Very high | 138 Ų | 138 | 94.9 Ų | 94.9 | 60% | 0.6 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.6 | -49.9 | 174.8 | -74.8 | 174 | -178.2 | 175.7 | 0 | 111.1 | T134 E135 I136 K140 K141 D142 | T134-K138 WeakPolarHBondContact O-CB 3.43Å; T134-K138 VanDerWaalsContact O-CG 3.31Å; T134-K138 WeakPolarHBondContact O-CG 3.28Å; T134-K138 PolarHBondContact O-N 2.9Å; E135-K138 PolarHBondContact O-N 3.34Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 3.07Å; K138-K140 VanDerWaalsContact C-N 3.3Å; K138-K140 PolarHBondContact O-N 2.9Å; K138-K141 PolarHBondContact O-N 3.17Å; K138-K141 VanDerWaalsContact O-N 3.17Å; K138-D142 WeakPolarHBondContact O-CB 2.83Å; K138-D142 PolarHBondContact O-N 3.44Å |
| 139 | A | 89.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 98.1 Ų | 98.1 | 35% | 0.347 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E135 I136 D142 F143 | E135-A139 VanDerWaalsContact O-CB 3.32Å; E135-A139 WeakPolarHBondContact O-CB 3.5Å; E135-A139 PolarHBondContact O-N 3.31Å; I136-A139 PolarHBondContact O-N 2.76Å; A139-D142 PolarHBondContact O-N 2.91Å; A139-F143 VanDerWaalsContact O-CB 3.3Å; A139-F143 WeakPolarHBondContact O-CB 3.32Å; A139-F143 PolarHBondContact O-N 2.8Å |
| 140 | K | 91.2 | Very high | 87.5 | Confident | 130 Ų | 130 | 99.4 Ų | 99.4 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.5 | -51.7 | 173.2 | 177.3 | 177.9 | 171.6 | 177.2 | 0 | 111.3 | I136 K138 D142 F143 E144 | I136-K140 VanDerWaalsContact O-CB 3.28Å; I136-K140 WeakPolarHBondContact O-CB 3.39Å; I136-K140 PolarHBondContact O-N 3.48Å; K138-K140 VanDerWaalsContact C-N 3.3Å; K138-K140 PolarHBondContact O-N 2.9Å; K140-D142 VanDerWaalsContact C-N 3.28Å; K140-D142 PolarHBondContact O-N 3.03Å; K140-F143 WeakPolarHBondContact O-CB 3.4Å; K140-F143 PolarHBondContact O-N 2.85Å; K140-E144 WeakPolarHBondContact CE-OE1 3.28Å; K140-E144 HydrophobicContact CG-CG 4.44Å; K140-E144 IonicContact NZ-OE1 2.72Å; K140-E144 WeakPolarHBondContact O-CB 3.23Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 3.18Å |
| 141 | K | 91.4 | Very high | 85.6 | Confident | 146 Ų | 146 | 98 Ų | 98 | 64% | 0.635 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.8 | -39.6 | 178 | -75.7 | 179.3 | 179.4 | -176.1 | 0 | 112.1 | K137 K138 R145 | K137-K141 WeakPolarHBondContact O-CG 3.45Å; K137-K141 PolarHBondContact O-N 3.01Å; K138-K141 PolarHBondContact O-N 3.17Å; K138-K141 VanDerWaalsContact O-N 3.17Å; K141-R145 VanDerWaalsContact O-CB 3.26Å; K141-R145 WeakPolarHBondContact O-CB 3.42Å; K141-R145 PolarHBondContact O-N 2.82Å |
| 142 | D | 88 | Confident | 83.7 | Confident | 63 Ų | 63 | 102.8 Ų | 102.8 | 34% | 0.337 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.6 | -80.4 | -20.9 | 0 | 0 | 0 | 112 | K138 A139 K140 R145 R146 | K138-D142 WeakPolarHBondContact O-CB 2.83Å; K138-D142 PolarHBondContact O-N 3.44Å; A139-D142 PolarHBondContact O-N 2.91Å; K140-D142 VanDerWaalsContact C-N 3.28Å; K140-D142 PolarHBondContact O-N 3.03Å; D142-R145 PolarHBondContact O-N 3.43Å; D142-R145 IonicContact OD1-CZ 2.9Å; D142-R145 IonicContact OD1-NE 3.93Å; D142-R145 IonicContact OD1-NH2 3.82Å; D142-R145 PolarHBondContact OD1-NH2 3.35Å; D142-R146 WeakPolarHBondContact O-CB 3.35Å; D142-R146 VanDerWaalsContact O-CG 3.24Å; D142-R146 WeakPolarHBondContact O-CG 3.45Å; D142-R146 PolarHBondContact O-N 2.98Å |
| 143 | F | 85.8 | Confident | 81.8 | Confident | 75 Ų | 75 | 99.3 Ų | 99.3 | 33% | 0.329 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 174.2 | -176.7 | -90.9 | 0 | 0 | 0 | 111.1 | A139 K140 R145 R146 F147 L148 V164 | A139-F143 VanDerWaalsContact O-CB 3.3Å; A139-F143 WeakPolarHBondContact O-CB 3.32Å; A139-F143 PolarHBondContact O-N 2.8Å; K140-F143 WeakPolarHBondContact O-CB 3.4Å; K140-F143 PolarHBondContact O-N 2.85Å; F143-R145 VanDerWaalsContact C-N 3.31Å; F143-R145 PolarHBondContact O-N 3.25Å; F143-R146 PolarHBondContact O-N 2.85Å; F143-R146 VanDerWaalsContact O-N 3.16Å; F143-F147 HydrophobicContact CD1-CD2 4.39Å; F143-F147 AromaticContact CD2-CD2 3.35Å; F143-F147 HydrophobicContact CD2-CD2 3.35Å; F143-F147 AromaticContact CD2-CE2 3.64Å; F143-F147 HydrophobicContact CD2-CE2 3.64Å; F143-F147 HydrophobicContact CD2-CG 4.43Å; F143-F147 HydrophobicContact CE1-CB 4.4Å; F143-F147 HydrophobicContact CE1-CD2 4.42Å; F143-F147 AromaticContact CE2-CD2 3.39Å; F143-F147 HydrophobicContact CE2-CD2 3.39Å; F143-F147 AromaticContact CE2-CE2 3.77Å; F143-F147 HydrophobicContact CE2-CE2 3.77Å; F143-F147 HydrophobicContact CE2-CG 4.14Å; F143-F147 AromaticContact CG-CD2 3.87Å; F143-F147 HydrophobicContact CG-CD2 3.87Å; F143-F147 HydrophobicContact CG-CE2 4.48Å; F143-F147 HydrophobicContact CZ-CB 4.3Å; F143-F147 AromaticContact CZ-CD2 3.96Å; F143-F147 HydrophobicContact CZ-CD2 3.96Å; F143-F147 HydrophobicContact CZ-CG 4.33Å; F143-F147 WeakPolarHBondContact O-CD2 3.25Å; F143-F147 PolarHBondContact O-N 3.47Å; F143-L148 HydrophobicContact CD1-CD1 4.32Å; F143-L148 HydrophobicContact CE1-CD1 4.28Å; F143-V164 HydrophobicContact CE2-CG1 4.25Å; F143-V164 HydrophobicContact CZ-CG1 4.38Å |
| 144 | E | 84.8 | Confident | 79.6 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | I | π-helix | trans | -58.1 | -42.8 | 177 | -74.8 | 174.9 | 177 | 0 | 0 | 112.2 | K140 L148 K149 | K140-E144 WeakPolarHBondContact CE-OE1 3.28Å; K140-E144 HydrophobicContact CG-CG 4.44Å; K140-E144 IonicContact NZ-OE1 2.72Å; K140-E144 WeakPolarHBondContact O-CB 3.23Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 3.18Å; E144-L148 HydrophobicContact CB-CB 4.44Å; E144-L148 HydrophobicContact CB-CD1 4.25Å; E144-L148 HydrophobicContact CG-CD1 3.64Å; E144-L148 CarbonylContact O-C 3.55Å; E144-L148 WeakPolarHBondContact O-CA 3.48Å; E144-L148 WeakPolarHBondContact O-CB 3.32Å; E144-L148 PolarHBondContact O-N 3.27Å; E144-K149 PolarHBondContact O-N 2.95Å |
| 145 | R | 85.3 | Confident | 77.5 | Confident | 140 Ų | 140 | 107 Ų | 107 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | I | π-helix | trans | -63 | -42.5 | 176.2 | 176.6 | 177.2 | 59 | 167.6 | -1.9 | 112.4 | K141 D142 F143 | K141-R145 VanDerWaalsContact O-CB 3.26Å; K141-R145 WeakPolarHBondContact O-CB 3.42Å; K141-R145 PolarHBondContact O-N 2.82Å; D142-R145 PolarHBondContact O-N 3.43Å; D142-R145 IonicContact OD1-CZ 2.9Å; D142-R145 IonicContact OD1-NE 3.93Å; D142-R145 IonicContact OD1-NH2 3.82Å; D142-R145 PolarHBondContact OD1-NH2 3.35Å; F143-R145 VanDerWaalsContact C-N 3.31Å; F143-R145 PolarHBondContact O-N 3.25Å |
| 146 | R | 78.8 | Confident | 75.6 | Confident | 139 Ų | 139 | 108.3 Ų | 108.3 | 53% | 0.525 | 53% | 0.527 | S | S | . | . | I | π-helix | trans | -78 | -33.5 | -175.4 | -72.7 | 176.3 | -172.4 | -161.6 | 2.7 | 113.1 | D142 F143 | D142-R146 WeakPolarHBondContact O-CB 3.35Å; D142-R146 VanDerWaalsContact O-CG 3.24Å; D142-R146 WeakPolarHBondContact O-CG 3.45Å; D142-R146 PolarHBondContact O-N 2.98Å; F143-R146 PolarHBondContact O-N 2.85Å; F143-R146 VanDerWaalsContact O-N 3.16Å |
| 147 | F | 74.9 | Confident | 73.9 | Confident | 34 Ų | 34 | 108.1 Ų | 108.1 | 15% | 0.149 | 52% | 0.524 | C | S | . | . | I | π-helix | trans | -120.3 | -36.9 | -169.1 | -57.8 | -71.6 | 0 | 0 | 0 | 114.1 | F143 K163 V164 H167 | F143-F147 HydrophobicContact CD1-CD2 4.39Å; F143-F147 AromaticContact CD2-CD2 3.35Å; F143-F147 HydrophobicContact CD2-CD2 3.35Å; F143-F147 AromaticContact CD2-CE2 3.64Å; F143-F147 HydrophobicContact CD2-CE2 3.64Å; F143-F147 HydrophobicContact CD2-CG 4.43Å; F143-F147 HydrophobicContact CE1-CB 4.4Å; F143-F147 HydrophobicContact CE1-CD2 4.42Å; F143-F147 AromaticContact CE2-CD2 3.39Å; F143-F147 HydrophobicContact CE2-CD2 3.39Å; F143-F147 AromaticContact CE2-CE2 3.77Å; F143-F147 HydrophobicContact CE2-CE2 3.77Å; F143-F147 HydrophobicContact CE2-CG 4.14Å; F143-F147 AromaticContact CG-CD2 3.87Å; F143-F147 HydrophobicContact CG-CD2 3.87Å; F143-F147 HydrophobicContact CG-CE2 4.48Å; F143-F147 HydrophobicContact CZ-CB 4.3Å; F143-F147 AromaticContact CZ-CD2 3.96Å; F143-F147 HydrophobicContact CZ-CD2 3.96Å; F143-F147 HydrophobicContact CZ-CG 4.33Å; F143-F147 WeakPolarHBondContact O-CD2 3.25Å; F143-F147 PolarHBondContact O-N 3.47Å; F147-K163 HydrophobicContact CE1-CB 4.41Å; F147-V164 HydrophobicContact CB-CG2 4.32Å; F147-V164 HydrophobicContact CD1-CG2 3.36Å; F147-V164 HydrophobicContact CE1-CB 4.42Å; F147-V164 HydrophobicContact CE1-CG2 3.7Å; F147-V164 HydrophobicContact CG-CG2 3.83Å; F147-V164 HydrophobicContact CZ-CG2 4.42Å; F147-H167 HydrophobicContact CE2-CB 4.36Å; F147-H167 AromaticContact CE2-CD2 3.78Å; F147-H167 HydrophobicContact CZ-CB 3.63Å; F147-H167 AromaticContact CZ-CD2 3.95Å; F147-H167 AromaticContact CZ-CG 3.71Å |
| 148 | L | 69.6 | Low | 72.2 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | I | π-helix | trans | -92.9 | -32.4 | -174.1 | -76.2 | 154.5 | 0 | 0 | 0 | 114 | F143 E144 M151 | F143-L148 HydrophobicContact CD1-CD1 4.32Å; F143-L148 HydrophobicContact CE1-CD1 4.28Å; E144-L148 HydrophobicContact CB-CB 4.44Å; E144-L148 HydrophobicContact CB-CD1 4.25Å; E144-L148 HydrophobicContact CG-CD1 3.64Å; E144-L148 CarbonylContact O-C 3.55Å; E144-L148 WeakPolarHBondContact O-CA 3.48Å; E144-L148 WeakPolarHBondContact O-CB 3.32Å; E144-L148 PolarHBondContact O-N 3.27Å; L148-M151 WeakPolarHBondContact O-CB 3.41Å; L148-M151 PolarHBondContact O-N 3.48Å |
| 149 | K | 67.6 | Low | 70.6 | Confident | 155 Ų | 155 | 107.2 Ų | 107.2 | 67% | 0.674 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -69.2 | -39.7 | 176.8 | -71.5 | -170.4 | -179.7 | -174.5 | 0 | 113.9 | E144 M151 | E144-K149 PolarHBondContact O-N 2.95Å; K149-M151 PolarHBondContact O-N 3.23Å |
| 150 | P | 64.1 | Low | 69.5 | Low | 72 Ų | 72 | 107.2 Ų | 107.2 | 47% | 0.468 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -65.9 | -26.1 | 172.9 | -21.4 | 34.7 | 0 | 0 | 0 | 113.3 | K152 | P150-K152 PolarHBondContact O-N 2.68Å; P150-K152 VanDerWaalsContact O-N 3.14Å |
| 151 | M | 56.4 | Low | 68.5 | Low | 70 Ų | 70 | 106 Ų | 106 | 35% | 0.345 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -72.6 | -2.9 | -172.1 | -143.9 | 162.9 | -173.5 | 0 | 0 | 115.4 | L148 K149 G153 L156 | L148-M151 WeakPolarHBondContact O-CB 3.41Å; L148-M151 PolarHBondContact O-N 3.48Å; K149-M151 PolarHBondContact O-N 3.23Å; M151-G153 VanDerWaalsContact C-N 3.33Å; M151-L156 HydrophobicContact CE-CD1 4.36Å; M151-L156 HydrophobicContact CE-CD2 4.11Å; M151-L156 HydrophobicContact CE-CG 3.82Å |
| 152 | K | 58.4 | Low | 67.8 | Low | 199 Ų | 199 | 105.2 Ų | 105.2 | 87% | 0.865 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -81.9 | -6.1 | 178.6 | -75.1 | -170.7 | 175 | -170.5 | 0 | 114 | P150 | P150-K152 PolarHBondContact O-N 2.68Å; P150-K152 VanDerWaalsContact O-N 3.14Å |
| 153 | G | 54.9 | Low | 67.4 | Low | 73 Ų | 73 | 108.7 Ų | 108.7 | 75% | 0.753 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -112.2 | -20.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | M151 | M151-G153 VanDerWaalsContact C-N 3.33Š|
| 154 | S | 51.3 | Low | 67.2 | Low | 64 Ų | 64 | 106.6 Ų | 106.6 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -142.5 | 134.7 | -176.5 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | L156 | S154-L156 PolarHBondContact O-N 2.77Š|
| 155 | F | 53 | Low | 67.1 | Low | 206 Ų | 206 | 108.9 Ų | 108.9 | 90% | 0.904 | 54% | 0.54 | S | S | * | . | trans | -46.2 | 133.6 | 170.1 | -90.7 | -101.8 | 0 | 0 | 0 | 110.3 | E157 | F155-E157 PolarHBondContact O-N 3.41Š| ||
| 156 | L | 55.9 | Low | 67.2 | Low | 130 Ų | 130 | 106.6 Ų | 106.6 | 68% | 0.681 | 54% | 0.535 | S | S | * | . | trans | -38.1 | 105.4 | -176 | -87.4 | 87.9 | 0 | 0 | 0 | 112.7 | M151 S154 | M151-L156 HydrophobicContact CE-CD1 4.36Å; M151-L156 HydrophobicContact CE-CD2 4.11Å; M151-L156 HydrophobicContact CE-CG 3.82Å; S154-L156 PolarHBondContact O-N 2.77Å | ||
| 157 | E | 58.4 | Low | 67.5 | Low | 112 Ų | 112 | 101.5 Ų | 101.5 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | trans | -86.4 | 133.5 | 165.1 | -94.5 | -169.7 | 162.6 | 0 | 0 | 109.4 | F155 K159 E160 | F155-E157 PolarHBondContact O-N 3.41Å; E157-K159 HydrophobicContact CB-CB 4.46Å; E157-K159 PolarHBondContact O-N 3.02Å; E157-E160 WeakPolarHBondContact O-CB 3.48Å; E157-E160 PolarHBondContact O-N 3.48Å | ||
| 158 | V | 60.9 | Low | 68 | Low | 119 Ų | 119 | 104.7 Ų | 104.7 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -49.9 | -28.7 | 173.3 | 175 | 0 | 0 | 0 | 0 | 112.5 | E160 L161 E162 | V158-E160 PolarHBondContact O-N 3.21Å; V158-L161 PolarHBondContact O-N 3.32Å; V158-E162 PolarHBondContact O-N 3.07Å; V158-E162 VanDerWaalsContact O-N 3.14Å |
| 159 | K | 62.2 | Low | 69 | Low | 128 Ų | 128 | 104.8 Ų | 104.8 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.8 | -25.4 | 174.9 | -71.8 | 178.8 | 178 | 171.1 | 0 | 114.1 | E157 K163 | E157-K159 HydrophobicContact CB-CB 4.46Å; E157-K159 PolarHBondContact O-N 3.02Å; K159-K163 VanDerWaalsContact O-CG 3.3Å; K159-K163 WeakPolarHBondContact O-CG 3.23Å; K159-K163 PolarHBondContact O-N 3.24Å |
| 160 | E | 66.5 | Low | 70 | Confident | 42 Ų | 42 | 100.8 Ų | 100.8 | 20% | 0.196 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -79.7 | -35.7 | 178 | -64.7 | -174.8 | 154 | 0 | 0 | 112.1 | E157 V158 K163 V164 | E157-E160 WeakPolarHBondContact O-CB 3.48Å; E157-E160 PolarHBondContact O-N 3.48Å; V158-E160 PolarHBondContact O-N 3.21Å; E160-K163 PolarHBondContact O-N 3.1Å; E160-V164 WeakPolarHBondContact O-CG2 3.4Å; E160-V164 PolarHBondContact O-N 2.83Å |
| 161 | L | 69.4 | Low | 71.1 | Confident | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 171.7 | -77.9 | 162.6 | 0 | 0 | 0 | 111.4 | V158 K163 V164 L165 | V158-L161 PolarHBondContact O-N 3.32Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 2.83Å; L161-V164 PolarHBondContact O-N 3.21Å; L161-L165 WeakPolarHBondContact O-CG 3.24Å; L161-L165 PolarHBondContact O-N 3.37Å |
| 162 | E | 77 | Confident | 72.5 | Confident | 129 Ų | 129 | 101.5 Ų | 101.5 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -39.4 | 175.5 | -165.2 | 171.1 | -163.8 | 0 | 0 | 111.9 | V158 V164 L165 Q166 | V158-E162 PolarHBondContact O-N 3.07Å; V158-E162 VanDerWaalsContact O-N 3.14Å; E162-V164 VanDerWaalsContact C-N 3.35Å; E162-V164 PolarHBondContact O-N 2.89Å; E162-L165 PolarHBondContact O-N 3.38Å; E162-Q166 WeakPolarHBondContact O-CB 3.39Å; E162-Q166 PolarHBondContact O-N 3.46Å |
| 163 | K | 80.2 | Confident | 74.1 | Confident | 136 Ų | 136 | 96.2 Ų | 96.2 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -35.7 | 173.3 | -73 | 170.2 | -175.2 | 174.4 | 0 | 113.1 | F147 K159 E160 L161 H167 | F147-K163 HydrophobicContact CE1-CB 4.41Å; K159-K163 VanDerWaalsContact O-CG 3.3Å; K159-K163 WeakPolarHBondContact O-CG 3.23Å; K159-K163 PolarHBondContact O-N 3.24Å; E160-K163 PolarHBondContact O-N 3.1Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 2.83Å; K163-H167 WeakPolarHBondContact O-CB 3.06Å; K163-H167 PolarHBondContact O-N 3.27Å |
| 164 | V | 80.5 | Confident | 75.9 | Confident | 31 Ų | 31 | 97 Ų | 97 | 19% | 0.188 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | F143 F147 E160 L161 E162 H167 I168 | F143-V164 HydrophobicContact CE2-CG1 4.25Å; F143-V164 HydrophobicContact CZ-CG1 4.38Å; F147-V164 HydrophobicContact CB-CG2 4.32Å; F147-V164 HydrophobicContact CD1-CG2 3.36Å; F147-V164 HydrophobicContact CE1-CB 4.42Å; F147-V164 HydrophobicContact CE1-CG2 3.7Å; F147-V164 HydrophobicContact CG-CG2 3.83Å; F147-V164 HydrophobicContact CZ-CG2 4.42Å; E160-V164 WeakPolarHBondContact O-CG2 3.4Å; E160-V164 PolarHBondContact O-N 2.83Å; L161-V164 PolarHBondContact O-N 3.21Å; E162-V164 VanDerWaalsContact C-N 3.35Å; E162-V164 PolarHBondContact O-N 2.89Å; V164-H167 WeakPolarHBondContact O-CB 3.39Å; V164-H167 PolarHBondContact O-N 3.46Å; V164-I168 HydrophobicContact CG1-CD1 4.08Å; V164-I168 WeakPolarHBondContact O-CG1 3.49Å; V164-I168 PolarHBondContact O-N 3.5Å |
| 165 | L | 83.3 | Confident | 77.7 | Confident | 117 Ų | 117 | 97.5 Ų | 97.5 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.4 | -47 | 175.9 | -72.4 | 171.9 | 0 | 0 | 0 | 111.5 | L161 E162 H167 I168 E169 | L161-L165 WeakPolarHBondContact O-CG 3.24Å; L161-L165 PolarHBondContact O-N 3.37Å; E162-L165 PolarHBondContact O-N 3.38Å; L165-H167 VanDerWaalsContact C-N 3.28Å; L165-H167 PolarHBondContact O-N 2.95Å; L165-I168 PolarHBondContact O-N 2.97Å; L165-I168 VanDerWaalsContact O-N 3.16Å; L165-E169 PolarHBondContact O-N 3.29Å |
| 166 | Q | 87.1 | Confident | 79.5 | Confident | 91 Ų | 91 | 92.7 Ų | 92.7 | 43% | 0.425 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 175.2 | -172.2 | 64.4 | 44.9 | 0 | 0 | 111.5 | E162 I168 E169 D170 | E162-Q166 WeakPolarHBondContact O-CB 3.39Å; E162-Q166 PolarHBondContact O-N 3.46Å; Q166-I168 PolarHBondContact O-N 3.26Å; Q166-E169 PolarHBondContact O-N 3.05Å; Q166-D170 PolarHBondContact NE2-OD1 3.5Å; Q166-D170 WeakPolarHBondContact O-CB 3.19Å; Q166-D170 PolarHBondContact O-N 2.93Å |
| 167 | H | 85.1 | Confident | 81.3 | Confident | 32 Ų | 32 | 92.1 Ų | 92.1 | 15% | 0.148 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.9 | 178.4 | 64.7 | 0 | 0 | 0 | 113.4 | F147 K163 V164 L165 K171 | F147-H167 HydrophobicContact CE2-CB 4.36Å; F147-H167 AromaticContact CE2-CD2 3.78Å; F147-H167 HydrophobicContact CZ-CB 3.63Å; F147-H167 AromaticContact CZ-CD2 3.95Å; F147-H167 AromaticContact CZ-CG 3.71Å; K163-H167 WeakPolarHBondContact O-CB 3.06Å; K163-H167 PolarHBondContact O-N 3.27Å; V164-H167 WeakPolarHBondContact O-CB 3.39Å; V164-H167 PolarHBondContact O-N 3.46Å; L165-H167 VanDerWaalsContact C-N 3.28Å; L165-H167 PolarHBondContact O-N 2.95Å; H167-K171 VanDerWaalsContact NE2-CE 3.32Å; H167-K171 WeakPolarHBondContact NE2-CE 3.48Å; H167-K171 PolarHBondContact NE2-NZ 3.39Å; H167-K171 WeakPolarHBondContact O-CB 3.44Å; H167-K171 PolarHBondContact O-N 3.5Å |
| 168 | I | 86.4 | Confident | 82.9 | Confident | 101 Ų | 101 | 92.4 Ų | 92.4 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 175.5 | -67.4 | 166 | 0 | 0 | 0 | 109.6 | V164 L165 Q166 K171 S172 | V164-I168 HydrophobicContact CG1-CD1 4.08Å; V164-I168 WeakPolarHBondContact O-CG1 3.49Å; V164-I168 PolarHBondContact O-N 3.5Å; L165-I168 PolarHBondContact O-N 2.97Å; L165-I168 VanDerWaalsContact O-N 3.16Å; Q166-I168 PolarHBondContact O-N 3.26Å; I168-K171 PolarHBondContact O-N 3.19Å; I168-S172 PolarHBondContact O-N 3.27Å |
| 169 | E | 89.6 | Confident | 84.5 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 42% | 0.421 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 178.4 | -161.9 | -173.4 | 150.6 | 0 | 0 | 111.6 | L165 Q166 K171 S172 K173 | L165-E169 PolarHBondContact O-N 3.29Å; Q166-E169 PolarHBondContact O-N 3.05Å; E169-K171 PolarHBondContact O-N 2.92Å; E169-S172 WeakPolarHBondContact O-CB 3.44Å; E169-S172 PolarHBondContact O-N 2.89Å; E169-S172 VanDerWaalsContact O-N 3.09Å; E169-S172 PolarHBondContact O-OG 3.29Å; E169-K173 WeakPolarHBondContact O-CG 3.44Å; E169-K173 PolarHBondContact O-N 2.93Å; E169-K173 WeakPolarHBondContact OE1-CE 3.3Å; E169-K173 IonicContact OE1-NZ 3.42Å; E169-K173 PolarHBondContact OE1-NZ 3.37Å |
| 170 | D | 89.8 | Confident | 86 | Confident | 70 Ų | 70 | 92.3 Ų | 92.3 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 178.4 | -68.9 | -17.8 | 0 | 0 | 0 | 111.9 | Q166 S172 K173 V174 | Q166-D170 PolarHBondContact NE2-OD1 3.5Å; Q166-D170 WeakPolarHBondContact O-CB 3.19Å; Q166-D170 PolarHBondContact O-N 2.93Å; D170-S172 VanDerWaalsContact C-N 3.3Å; D170-S172 PolarHBondContact O-N 2.9Å; D170-K173 PolarHBondContact O-N 3.34Å; D170-V174 WeakPolarHBondContact O-CG2 3.43Å; D170-V174 PolarHBondContact O-N 3.25Å |
| 171 | K | 87.5 | Confident | 87.4 | Confident | 106 Ų | 106 | 95.4 Ų | 95.4 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 172.9 | -89.1 | -172.2 | 167.8 | 172.1 | 0 | 111.8 | H167 I168 E169 K173 V174 T175 | H167-K171 VanDerWaalsContact NE2-CE 3.32Å; H167-K171 WeakPolarHBondContact NE2-CE 3.48Å; H167-K171 PolarHBondContact NE2-NZ 3.39Å; H167-K171 WeakPolarHBondContact O-CB 3.44Å; H167-K171 PolarHBondContact O-N 3.5Å; I168-K171 PolarHBondContact O-N 3.19Å; E169-K171 PolarHBondContact O-N 2.92Å; K171-K173 VanDerWaalsContact C-N 3.33Å; K171-K173 PolarHBondContact O-N 3.43Å; K171-V174 PolarHBondContact O-N 3.35Å; K171-T175 PolarHBondContact O-N 2.91Å; K171-T175 VanDerWaalsContact O-N 3.09Å; K171-T175 PolarHBondContact O-OG1 3.33Å |
| 172 | S | 85.7 | Confident | 88.6 | Confident | 51 Ų | 51 | 96.1 Ų | 96.1 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 177.7 | 82.5 | 0 | 0 | 0 | 0 | 111.9 | I168 E169 D170 T175 Q176 | I168-S172 PolarHBondContact O-N 3.27Å; E169-S172 WeakPolarHBondContact O-CB 3.44Å; E169-S172 PolarHBondContact O-N 2.89Å; E169-S172 VanDerWaalsContact O-N 3.09Å; E169-S172 PolarHBondContact O-OG 3.29Å; D170-S172 VanDerWaalsContact C-N 3.3Å; D170-S172 PolarHBondContact O-N 2.9Å; S172-T175 PolarHBondContact O-N 3.48Å; S172-Q176 WeakPolarHBondContact O-CG 3.48Å; S172-Q176 PolarHBondContact O-N 2.9Å |
| 173 | K | 92 | Very high | 89.5 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.7 | -71.4 | 170.9 | -177.7 | 161 | 0 | 111.6 | E169 D170 K171 T175 Q176 L177 | E169-K173 WeakPolarHBondContact O-CG 3.44Å; E169-K173 PolarHBondContact O-N 2.93Å; E169-K173 WeakPolarHBondContact OE1-CE 3.3Å; E169-K173 IonicContact OE1-NZ 3.42Å; E169-K173 PolarHBondContact OE1-NZ 3.37Å; D170-K173 PolarHBondContact O-N 3.34Å; K171-K173 VanDerWaalsContact C-N 3.33Å; K171-K173 PolarHBondContact O-N 3.43Å; K173-T175 PolarHBondContact O-N 3.29Å; K173-Q176 PolarHBondContact O-N 3.28Å; K173-L177 WeakPolarHBondContact O-CG 3.3Å; K173-L177 PolarHBondContact O-N 3.28Å |
| 174 | V | 91.6 | Very high | 90.3 | Very high | 91 Ų | 91 | 94.2 Ų | 94.2 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | D170 K171 Q176 L177 E178 | D170-V174 WeakPolarHBondContact O-CG2 3.43Å; D170-V174 PolarHBondContact O-N 3.25Å; K171-V174 PolarHBondContact O-N 3.35Å; V174-Q176 VanDerWaalsContact C-N 3.32Å; V174-Q176 PolarHBondContact O-N 2.9Å; V174-L177 PolarHBondContact O-N 3.41Å; V174-E178 PolarHBondContact O-N 3.08Å |
| 175 | T | 89.3 | Confident | 91.1 | Very high | 73 Ų | 73 | 98.6 Ų | 98.6 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | K171 S172 K173 K179 | K171-T175 PolarHBondContact O-N 2.91Å; K171-T175 VanDerWaalsContact O-N 3.09Å; K171-T175 PolarHBondContact O-OG1 3.33Å; S172-T175 PolarHBondContact O-N 3.48Å; K173-T175 PolarHBondContact O-N 3.29Å; T175-K179 WeakPolarHBondContact O-CG 3.47Å; T175-K179 PolarHBondContact O-N 2.89Å |
| 176 | Q | 90.8 | Very high | 91.7 | Very high | 105 Ų | 105 | 95.4 Ų | 95.4 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 174.7 | -71.2 | 178.2 | 17.6 | 0 | 0 | 112.1 | S172 K173 V174 E178 K179 F180 | S172-Q176 WeakPolarHBondContact O-CG 3.48Å; S172-Q176 PolarHBondContact O-N 2.9Å; K173-Q176 PolarHBondContact O-N 3.28Å; V174-Q176 VanDerWaalsContact C-N 3.32Å; V174-Q176 PolarHBondContact O-N 2.9Å; Q176-E178 VanDerWaalsContact C-N 3.33Å; Q176-E178 PolarHBondContact O-N 2.97Å; Q176-K179 WeakPolarHBondContact O-CB 3.16Å; Q176-K179 PolarHBondContact O-N 3.44Å; Q176-F180 HydrophobicContact CB-CE2 4.26Å; Q176-F180 WeakPolarHBondContact O-CD2 3.38Å; Q176-F180 WeakPolarHBondContact O-CG 3.45Å; Q176-F180 PolarHBondContact O-N 2.96Å |
| 177 | L | 93.9 | Very high | 92.2 | Very high | 119 Ų | 119 | 95.4 Ų | 95.4 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.1 | -43.6 | 176.2 | -77.6 | 170.4 | 0 | 0 | 0 | 111.8 | K173 V174 K179 F180 H181 | K173-L177 WeakPolarHBondContact O-CG 3.3Å; K173-L177 PolarHBondContact O-N 3.28Å; V174-L177 PolarHBondContact O-N 3.41Å; L177-K179 PolarHBondContact O-N 3.42Å; L177-F180 PolarHBondContact O-N 3.04Å; L177-H181 WeakPolarHBondContact O-CB 3.43Å; L177-H181 PolarHBondContact O-N 3.26Å |
| 178 | E | 92.8 | Very high | 92.8 | Very high | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 177.6 | -170.3 | 164.2 | -155.1 | 0 | 0 | 112.1 | V174 Q176 F180 H181 Q182 | V174-E178 PolarHBondContact O-N 3.08Å; Q176-E178 VanDerWaalsContact C-N 3.33Å; Q176-E178 PolarHBondContact O-N 2.97Å; E178-F180 PolarHBondContact O-N 3.05Å; E178-H181 WeakPolarHBondContact O-CB 3.43Å; E178-H181 PolarHBondContact O-N 2.96Å; E178-Q182 WeakPolarHBondContact O-CG 3.26Å; E178-Q182 PolarHBondContact O-N 2.97Å |
| 179 | K | 93.9 | Very high | 93.3 | Very high | 127 Ų | 127 | 102.6 Ų | 102.6 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 172.2 | -73.6 | 176 | 179.8 | -178.8 | 0 | 112.1 | T175 Q176 L177 H181 Q182 K183 | T175-K179 WeakPolarHBondContact O-CG 3.47Å; T175-K179 PolarHBondContact O-N 2.89Å; Q176-K179 WeakPolarHBondContact O-CB 3.16Å; Q176-K179 PolarHBondContact O-N 3.44Å; L177-K179 PolarHBondContact O-N 3.42Å; K179-H181 VanDerWaalsContact C-N 3.33Å; K179-Q182 PolarHBondContact O-N 3Å; K179-K183 WeakPolarHBondContact O-CG 3.27Å; K179-K183 PolarHBondContact O-N 3.17Å |
| 180 | F | 93.9 | Very high | 93.6 | Very high | 118 Ų | 118 | 103.9 Ų | 103.9 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 177.5 | -69.7 | -51.2 | 0 | 0 | 0 | 112 | Q176 L177 E178 K183 N184 | Q176-F180 HydrophobicContact CB-CE2 4.26Å; Q176-F180 WeakPolarHBondContact O-CD2 3.38Å; Q176-F180 WeakPolarHBondContact O-CG 3.45Å; Q176-F180 PolarHBondContact O-N 2.96Å; L177-F180 PolarHBondContact O-N 3.04Å; E178-F180 PolarHBondContact O-N 3.05Å; F180-K183 PolarHBondContact O-N 2.89Å; F180-N184 WeakPolarHBondContact O-CB 3.38Å; F180-N184 PolarHBondContact O-N 3.45Å |
| 181 | H | 95.3 | Very high | 93.9 | Very high | 106 Ų | 106 | 104 Ų | 104 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 175.5 | -172.6 | 53.7 | 0 | 0 | 0 | 112.2 | L177 E178 K179 N184 K185 | L177-H181 WeakPolarHBondContact O-CB 3.43Å; L177-H181 PolarHBondContact O-N 3.26Å; E178-H181 WeakPolarHBondContact O-CB 3.43Å; E178-H181 PolarHBondContact O-N 2.96Å; K179-H181 VanDerWaalsContact C-N 3.33Å; H181-N184 PolarHBondContact O-N 2.89Å; H181-K185 VanDerWaalsContact NE2-CE 3.32Å; H181-K185 WeakPolarHBondContact NE2-CE 3.28Å; H181-K185 PolarHBondContact O-N 2.92Å |
| 182 | Q | 95.7 | Very high | 94.3 | Very high | 120 Ų | 120 | 104.7 Ų | 104.7 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -44.2 | 175.7 | -71.2 | 178 | -1.7 | 0 | 0 | 112 | E178 K179 N184 K185 A186 | E178-Q182 WeakPolarHBondContact O-CG 3.26Å; E178-Q182 PolarHBondContact O-N 2.97Å; K179-Q182 PolarHBondContact O-N 3Å; Q182-N184 VanDerWaalsContact C-N 3.34Å; Q182-N184 PolarHBondContact O-N 3.38Å; Q182-K185 PolarHBondContact O-N 2.76Å; Q182-A186 PolarHBondContact O-N 3.05Å |
| 183 | K | 96 | Very high | 94.8 | Very high | 135 Ų | 135 | 108.2 Ų | 108.2 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 174 | -74.8 | -179.9 | 178.7 | -176.4 | 0 | 111.9 | K179 F180 K185 A186 L187 | K179-K183 WeakPolarHBondContact O-CG 3.27Å; K179-K183 PolarHBondContact O-N 3.17Å; F180-K183 PolarHBondContact O-N 2.89Å; K183-K185 PolarHBondContact O-N 3.3Å; K183-A186 PolarHBondContact O-N 2.91Å; K183-L187 WeakPolarHBondContact O-CB 3.24Å; K183-L187 WeakPolarHBondContact O-CG 3.43Å; K183-L187 PolarHBondContact O-N 2.98Å |
| 184 | N | 96.3 | Very high | 95 | Very high | 89 Ų | 89 | 108.7 Ų | 108.7 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.8 | -99.4 | -36.6 | 0 | 0 | 0 | 112.2 | F180 H181 Q182 L187 R188 | F180-N184 WeakPolarHBondContact O-CB 3.38Å; F180-N184 PolarHBondContact O-N 3.45Å; H181-N184 PolarHBondContact O-N 2.89Å; Q182-N184 VanDerWaalsContact C-N 3.34Å; Q182-N184 PolarHBondContact O-N 3.38Å; N184-L187 PolarHBondContact O-N 3.33Å; N184-R188 WeakPolarHBondContact O-CB 3.32Å; N184-R188 VanDerWaalsContact O-CG 3.31Å; N184-R188 WeakPolarHBondContact O-CG 3.39Å; N184-R188 PolarHBondContact O-N 2.9Å |
| 185 | K | 96.9 | Very high | 95.3 | Very high | 124 Ų | 124 | 108.8 Ų | 108.8 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 173.9 | -75.1 | -178.9 | 175.5 | 179.7 | 0 | 111.7 | H181 Q182 K183 R188 V189 | H181-K185 VanDerWaalsContact NE2-CE 3.32Å; H181-K185 WeakPolarHBondContact NE2-CE 3.28Å; H181-K185 PolarHBondContact O-N 2.92Å; Q182-K185 PolarHBondContact O-N 2.76Å; K183-K185 PolarHBondContact O-N 3.3Å; K185-R188 PolarHBondContact O-N 3.2Å; K185-V189 WeakPolarHBondContact O-CG2 3.38Å; K185-V189 PolarHBondContact O-N 3.3Å |
| 186 | A | 95.9 | Very high | 95.6 | Very high | 50 Ų | 50 | 111.1 Ų | 111.1 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q182 K183 R188 V189 Q190 | Q182-A186 PolarHBondContact O-N 3.05Å; K183-A186 PolarHBondContact O-N 2.91Å; A186-R188 PolarHBondContact O-N 2.83Å; A186-V189 PolarHBondContact O-N 3.16Å; A186-Q190 WeakPolarHBondContact O-CG 3.31Å; A186-Q190 PolarHBondContact O-N 3.41Å |
| 187 | L | 97.5 | Very high | 95.7 | Very high | 91 Ų | 91 | 110.2 Ų | 110.2 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 175.5 | -74 | 171.6 | 0 | 0 | 0 | 111.7 | K183 N184 V189 Q190 V191 | K183-L187 WeakPolarHBondContact O-CB 3.24Å; K183-L187 WeakPolarHBondContact O-CG 3.43Å; K183-L187 PolarHBondContact O-N 2.98Å; N184-L187 PolarHBondContact O-N 3.33Å; L187-V189 VanDerWaalsContact C-N 3.33Å; L187-V189 PolarHBondContact O-N 2.94Å; L187-Q190 PolarHBondContact O-N 3.43Å; L187-V191 WeakPolarHBondContact O-CG2 3.39Å; L187-V191 PolarHBondContact O-N 3.42Å |
| 188 | R | 97.3 | Very high | 95.6 | Very high | 182 Ų | 182 | 110 Ų | 110 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.8 | -44.1 | 174.6 | -75.8 | 178.2 | -176 | -150.8 | 1.5 | 111.9 | N184 K185 A186 Q190 V191 M192 | N184-R188 WeakPolarHBondContact O-CB 3.32Å; N184-R188 VanDerWaalsContact O-CG 3.31Å; N184-R188 WeakPolarHBondContact O-CG 3.39Å; N184-R188 PolarHBondContact O-N 2.9Å; K185-R188 PolarHBondContact O-N 3.2Å; A186-R188 PolarHBondContact O-N 2.83Å; R188-Q190 VanDerWaalsContact C-N 3.34Å; R188-Q190 PolarHBondContact O-N 3.15Å; R188-V191 PolarHBondContact O-N 3.29Å; R188-M192 VanDerWaalsContact O-CG 3.3Å; R188-M192 WeakPolarHBondContact O-CG 3.45Å; R188-M192 PolarHBondContact O-N 3.27Å |
| 189 | V | 97.3 | Very high | 95.6 | Very high | 101 Ų | 101 | 109 Ų | 109 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | K185 A186 L187 M192 K193 | K185-V189 WeakPolarHBondContact O-CG2 3.38Å; K185-V189 PolarHBondContact O-N 3.3Å; A186-V189 PolarHBondContact O-N 3.16Å; L187-V189 VanDerWaalsContact C-N 3.33Å; L187-V189 PolarHBondContact O-N 2.94Å; V189-M192 PolarHBondContact O-N 3.4Å; V189-K193 WeakPolarHBondContact O-CB 3.37Å; V189-K193 PolarHBondContact O-N 3.46Å |
| 190 | Q | 95.7 | Very high | 95.5 | Very high | 117 Ų | 117 | 107.9 Ų | 107.9 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.9 | -72.2 | -177.4 | 16.9 | 0 | 0 | 112.3 | A186 L187 R188 M192 K193 L194 | A186-Q190 WeakPolarHBondContact O-CG 3.31Å; A186-Q190 PolarHBondContact O-N 3.41Å; L187-Q190 PolarHBondContact O-N 3.43Å; R188-Q190 VanDerWaalsContact C-N 3.34Å; R188-Q190 PolarHBondContact O-N 3.15Å; Q190-M192 PolarHBondContact O-N 3.02Å; Q190-K193 PolarHBondContact O-N 3.4Å; Q190-L194 WeakPolarHBondContact O-CG 3.39Å; Q190-L194 PolarHBondContact O-N 2.92Å |
| 191 | V | 97 | Very high | 95.2 | Very high | 74 Ų | 74 | 109.4 Ų | 109.4 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | L187 R188 K193 L194 L195 | L187-V191 WeakPolarHBondContact O-CG2 3.39Å; L187-V191 PolarHBondContact O-N 3.42Å; R188-V191 PolarHBondContact O-N 3.29Å; V191-K193 VanDerWaalsContact C-N 3.32Å; V191-K193 PolarHBondContact O-N 2.93Å; V191-L194 PolarHBondContact O-N 2.87Å; V191-L195 HydrophobicContact CG1-CD1 3.93Å; V191-L195 HydrophobicContact CG1-CG 4.37Å; V191-L195 WeakPolarHBondContact O-CB 3.33Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 3.16Å |
| 192 | M | 95.6 | Very high | 94.7 | Very high | 119 Ų | 119 | 110.2 Ų | 110.2 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 176.8 | -69.4 | -62.1 | 115.7 | 0 | 0 | 111.9 | R188 V189 Q190 L195 Q196 | R188-M192 VanDerWaalsContact O-CG 3.3Å; R188-M192 WeakPolarHBondContact O-CG 3.45Å; R188-M192 PolarHBondContact O-N 3.27Å; V189-M192 PolarHBondContact O-N 3.4Å; Q190-M192 PolarHBondContact O-N 3.02Å; M192-L195 HydrophobicContact CE-CD1 3.87Å; M192-L195 PolarHBondContact O-N 3.35Å; M192-Q196 WeakPolarHBondContact O-CB 3.44Å; M192-Q196 PolarHBondContact O-N 3.21Å |
| 193 | K | 96.8 | Very high | 94.1 | Very high | 126 Ų | 126 | 109.7 Ų | 109.7 | 55% | 0.548 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 176.8 | -173.3 | 177.1 | -178.1 | 177.7 | 0 | 112 | V189 Q190 V191 Q196 Q197 | V189-K193 WeakPolarHBondContact O-CB 3.37Å; V189-K193 PolarHBondContact O-N 3.46Å; Q190-K193 PolarHBondContact O-N 3.4Å; V191-K193 VanDerWaalsContact C-N 3.32Å; V191-K193 PolarHBondContact O-N 2.93Å; K193-Q196 PolarHBondContact O-N 3.43Å; K193-Q197 WeakPolarHBondContact O-CG 3.42Å; K193-Q197 PolarHBondContact O-N 3.04Å |
| 194 | L | 96.6 | Very high | 93 | Very high | 98 Ų | 98 | 106.8 Ų | 106.8 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.4 | -72.5 | 171.8 | 0 | 0 | 0 | 111.7 | Q190 V191 Q197 L198 | Q190-L194 WeakPolarHBondContact O-CG 3.39Å; Q190-L194 PolarHBondContact O-N 2.92Å; V191-L194 PolarHBondContact O-N 2.87Å; L194-Q197 PolarHBondContact O-N 3.47Å; L194-L198 WeakPolarHBondContact O-CB 3.44Å; L194-L198 WeakPolarHBondContact O-CG 3.34Å; L194-L198 PolarHBondContact O-N 3.34Å |
| 195 | L | 96.3 | Very high | 91.9 | Very high | 93 Ų | 93 | 110 Ų | 110 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.5 | -73.7 | 173.5 | 0 | 0 | 0 | 111.6 | V191 M192 L198 Q199 | V191-L195 HydrophobicContact CG1-CD1 3.93Å; V191-L195 HydrophobicContact CG1-CG 4.37Å; V191-L195 WeakPolarHBondContact O-CB 3.33Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 3.16Å; M192-L195 HydrophobicContact CE-CD1 3.87Å; M192-L195 PolarHBondContact O-N 3.35Å; L195-L198 PolarHBondContact O-N 3.47Å; L195-Q199 WeakPolarHBondContact O-CB 3.44Å; L195-Q199 PolarHBondContact O-N 3.17Å |
| 196 | Q | 95.8 | Very high | 90.5 | Very high | 121 Ų | 121 | 110 Ų | 110 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 175.4 | -172.5 | 177.7 | 12.9 | 0 | 0 | 111.7 | M192 K193 L198 Q199 Q200 | M192-Q196 WeakPolarHBondContact O-CB 3.44Å; M192-Q196 PolarHBondContact O-N 3.21Å; K193-Q196 PolarHBondContact O-N 3.43Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-L198 PolarHBondContact O-N 3Å; Q196-Q199 PolarHBondContact O-N 3.09Å; Q196-Q200 WeakPolarHBondContact O-CG 3.41Å; Q196-Q200 PolarHBondContact O-N 3.34Å |
| 197 | Q | 93.3 | Very high | 88.9 | Confident | 87 Ų | 87 | 109.9 Ų | 109.9 | 41% | 0.407 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 175.5 | -74.5 | 178.5 | -16.6 | 0 | 0 | 112.3 | K193 L194 K201 | K193-Q197 WeakPolarHBondContact O-CG 3.42Å; K193-Q197 PolarHBondContact O-N 3.04Å; L194-Q197 PolarHBondContact O-N 3.47Å; Q197-K201 WeakPolarHBondContact O-CB 3.34Å; Q197-K201 WeakPolarHBondContact O-CG 3.32Å; Q197-K201 PolarHBondContact O-N 3.21Å |
| 198 | L | 92.4 | Very high | 87.2 | Confident | 115 Ų | 115 | 110.8 Ų | 110.8 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 174.9 | -77.1 | 172.7 | 0 | 0 | 0 | 111.8 | L194 L195 Q196 K201 K202 | L194-L198 WeakPolarHBondContact O-CB 3.44Å; L194-L198 WeakPolarHBondContact O-CG 3.34Å; L194-L198 PolarHBondContact O-N 3.34Å; L195-L198 PolarHBondContact O-N 3.47Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-L198 PolarHBondContact O-N 3Å; L198-K201 PolarHBondContact O-N 3Å; L198-K202 WeakPolarHBondContact O-CB 3.45Å; L198-K202 PolarHBondContact O-N 3.25Å |
| 199 | Q | 93.1 | Very high | 85.4 | Confident | 95 Ų | 95 | 107.7 Ų | 107.7 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 177 | -175.5 | 62.4 | 24 | 0 | 0 | 111.3 | L195 Q196 K201 K202 E203 | L195-Q199 WeakPolarHBondContact O-CB 3.44Å; L195-Q199 PolarHBondContact O-N 3.17Å; Q196-Q199 PolarHBondContact O-N 3.09Å; Q199-K201 PolarHBondContact O-N 3.19Å; Q199-K202 WeakPolarHBondContact O-CB 3.49Å; Q199-K202 PolarHBondContact O-N 2.99Å; Q199-K202 VanDerWaalsContact O-N 3.08Å; Q199-E203 PolarHBondContact NE2-OE1 3.47Å; Q199-E203 PolarHBondContact O-N 3.44Å |
| 200 | Q | 90.2 | Very high | 83.4 | Confident | 104 Ų | 104 | 109.7 Ų | 109.7 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 174.4 | -75.7 | 177.7 | -20.9 | 0 | 0 | 111.4 | Q196 K202 E203 T204 | Q196-Q200 WeakPolarHBondContact O-CG 3.41Å; Q196-Q200 PolarHBondContact O-N 3.34Å; Q200-K202 PolarHBondContact O-N 3.29Å; Q200-E203 PolarHBondContact O-N 3.4Å; Q200-E203 VanDerWaalsContact O-N 3.17Å; Q200-T204 WeakPolarHBondContact O-CG2 3.45Å; Q200-T204 PolarHBondContact O-N 3.24Å; Q200-T204 PolarHBondContact O-OG1 3.48Å |
| 201 | K | 87.4 | Confident | 81.5 | Confident | 151 Ų | 151 | 107.7 Ų | 107.7 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -31.7 | 176.2 | -78.2 | -170.5 | 173.8 | -168.6 | 0 | 113.5 | Q197 L198 Q199 T204 R205 | Q197-K201 WeakPolarHBondContact O-CB 3.34Å; Q197-K201 WeakPolarHBondContact O-CG 3.32Å; Q197-K201 PolarHBondContact O-N 3.21Å; L198-K201 PolarHBondContact O-N 3Å; Q199-K201 PolarHBondContact O-N 3.19Å; K201-T204 WeakPolarHBondContact CA-OG1 3.31Å; K201-T204 PolarHBondContact O-OG1 2.94Å; K201-T204 VanDerWaalsContact O-OG1 3.1Å; K201-R205 WeakPolarHBondContact O-CB 3.5Å; K201-R205 PolarHBondContact O-N 3.29Å |
| 202 | K | 85.5 | Confident | 79.2 | Confident | 123 Ų | 123 | 109.5 Ų | 109.5 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.2 | -37.1 | 177 | -171.8 | 179.9 | 179.8 | -178.3 | 0 | 111.4 | L198 Q199 Q200 K206 | L198-K202 WeakPolarHBondContact O-CB 3.45Å; L198-K202 PolarHBondContact O-N 3.25Å; Q199-K202 WeakPolarHBondContact O-CB 3.49Å; Q199-K202 PolarHBondContact O-N 2.99Å; Q199-K202 VanDerWaalsContact O-N 3.08Å; Q200-K202 PolarHBondContact O-N 3.29Å; K202-K206 WeakPolarHBondContact O-CB 3.46Å; K202-K206 VanDerWaalsContact O-CG 3.27Å; K202-K206 WeakPolarHBondContact O-CG 3.42Å; K202-K206 PolarHBondContact O-N 2.87Å |
| 203 | E | 82.8 | Confident | 77.1 | Confident | 108 Ų | 108 | 111.6 Ų | 111.6 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.9 | -42.9 | 176.2 | -72.2 | 167.1 | -171.1 | 0 | 0 | 111.7 | Q199 Q200 R205 K206 A207 | Q199-E203 PolarHBondContact NE2-OE1 3.47Å; Q199-E203 PolarHBondContact O-N 3.44Å; Q200-E203 PolarHBondContact O-N 3.4Å; Q200-E203 VanDerWaalsContact O-N 3.17Å; E203-R205 VanDerWaalsContact C-N 3.33Å; E203-R205 PolarHBondContact O-N 3.5Å; E203-K206 PolarHBondContact O-N 3.23Å; E203-A207 PolarHBondContact O-N 2.94Å |
| 204 | T | 73.9 | Confident | 74.9 | Confident | 74 Ų | 74 | 113.2 Ų | 113.2 | 45% | 0.454 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 173.1 | 60.7 | 0 | 0 | 0 | 0 | 111 | Q200 K201 K206 A207 E208 | Q200-T204 WeakPolarHBondContact O-CG2 3.45Å; Q200-T204 PolarHBondContact O-N 3.24Å; Q200-T204 PolarHBondContact O-OG1 3.48Å; K201-T204 WeakPolarHBondContact CA-OG1 3.31Å; K201-T204 PolarHBondContact O-OG1 2.94Å; K201-T204 VanDerWaalsContact O-OG1 3.1Å; T204-K206 VanDerWaalsContact C-N 3.3Å; T204-K206 PolarHBondContact O-N 2.88Å; T204-A207 PolarHBondContact O-N 3.37Å; T204-E208 WeakPolarHBondContact O-CB 3.28Å; T204-E208 VanDerWaalsContact O-CG 3.23Å; T204-E208 WeakPolarHBondContact O-CG 2.98Å; T204-E208 PolarHBondContact O-N 2.86Å |
| 205 | R | 71.8 | Confident | 72.6 | Confident | 157 Ų | 157 | 112.1 Ų | 112.1 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -34.1 | 176 | -170.8 | 176.4 | -174.1 | -170.9 | -1 | 112.7 | K201 E203 F209 | K201-R205 WeakPolarHBondContact O-CB 3.5Å; K201-R205 PolarHBondContact O-N 3.29Å; E203-R205 VanDerWaalsContact C-N 3.33Å; E203-R205 PolarHBondContact O-N 3.5Å; R205-F209 HydrophobicContact CG-CD2 3.99Å; R205-F209 HydrophobicContact CG-CE2 4.05Å; R205-F209 VanDerWaalsContact O-CD2 3.28Å; R205-F209 WeakPolarHBondContact O-CD2 3.34Å; R205-F209 PolarHBondContact O-N 3.14Å |
| 206 | K | 67.9 | Low | 70.1 | Confident | 123 Ų | 123 | 114 Ų | 114 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 175.2 | -81 | 177.3 | 171.9 | -160.6 | 0 | 112.1 | K202 E203 T204 E208 F209 E210 | K202-K206 WeakPolarHBondContact O-CB 3.46Å; K202-K206 VanDerWaalsContact O-CG 3.27Å; K202-K206 WeakPolarHBondContact O-CG 3.42Å; K202-K206 PolarHBondContact O-N 2.87Å; E203-K206 PolarHBondContact O-N 3.23Å; T204-K206 VanDerWaalsContact C-N 3.3Å; T204-K206 PolarHBondContact O-N 2.88Å; K206-E208 VanDerWaalsContact C-N 3.33Å; K206-F209 PolarHBondContact O-N 3.42Å; K206-E210 PolarHBondContact O-N 2.87Å |
| 207 | A | 63.7 | Low | 67.9 | Low | 49 Ų | 49 | 117.2 Ų | 117.2 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.6 | -37.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E203 T204 E210 V211 | E203-A207 PolarHBondContact O-N 2.94Å; T204-A207 PolarHBondContact O-N 3.37Å; A207-E210 PolarHBondContact O-N 2.92Å; A207-V211 WeakPolarHBondContact O-CB 3.31Å; A207-V211 VanDerWaalsContact O-CG2 3.23Å; A207-V211 WeakPolarHBondContact O-CG2 3.44Å; A207-V211 PolarHBondContact O-N 3.44Å |
| 208 | E | 61.5 | Low | 65.8 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.6 | -40.9 | 171.5 | -73.4 | 162.4 | -168.9 | 0 | 0 | 111.4 | T204 K206 V211 E212 | T204-E208 WeakPolarHBondContact O-CB 3.28Å; T204-E208 VanDerWaalsContact O-CG 3.23Å; T204-E208 WeakPolarHBondContact O-CG 2.98Å; T204-E208 PolarHBondContact O-N 2.86Å; K206-E208 VanDerWaalsContact C-N 3.33Å; E208-V211 PolarHBondContact O-N 2.92Å; E208-E212 WeakPolarHBondContact O-CB 3.27Å; E208-E212 VanDerWaalsContact O-CG 3.24Å; E208-E212 WeakPolarHBondContact O-CG 3.38Å; E208-E212 PolarHBondContact O-N 2.68Å |
| 209 | F | 58.7 | Low | 63.7 | Low | 118 Ų | 118 | 122.9 Ų | 122.9 | 52% | 0.518 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -36.9 | 175.1 | -95.5 | -73.6 | 0 | 0 | 0 | 113.7 | R205 K206 E213 | R205-F209 HydrophobicContact CG-CD2 3.99Å; R205-F209 HydrophobicContact CG-CE2 4.05Å; R205-F209 VanDerWaalsContact O-CD2 3.28Å; R205-F209 WeakPolarHBondContact O-CD2 3.34Å; R205-F209 PolarHBondContact O-N 3.14Å; K206-F209 PolarHBondContact O-N 3.42Å; F209-E213 PolarHBondContact O-N 3.42Å |
| 210 | E | 55.4 | Low | 61.4 | Low | 143 Ų | 143 | 126.9 Ų | 126.9 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.7 | -35.1 | 175.6 | -79 | 173.4 | 174.3 | 0 | 0 | 111.9 | K206 A207 | K206-E210 PolarHBondContact O-N 2.87Å; A207-E210 PolarHBondContact O-N 2.92Å |
| 211 | V | 55 | Low | 59.4 | Low | 74 Ų | 74 | 129.5 Ų | 129.5 | 45% | 0.448 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -78 | -34.1 | 174.7 | 173 | 0 | 0 | 0 | 0 | 111.5 | A207 E208 E214 I215 | A207-V211 WeakPolarHBondContact O-CB 3.31Å; A207-V211 VanDerWaalsContact O-CG2 3.23Å; A207-V211 WeakPolarHBondContact O-CG2 3.44Å; A207-V211 PolarHBondContact O-N 3.44Å; E208-V211 PolarHBondContact O-N 2.92Å; V211-E214 PolarHBondContact O-N 3.4Å; V211-I215 HydrophobicContact CG1-CD1 3.41Å; V211-I215 VanDerWaalsContact CG1-CD1 3.41Å; V211-I215 HydrophobicContact CG1-CG1 4.09Å; V211-I215 WeakPolarHBondContact O-CB 3.31Å; V211-I215 VanDerWaalsContact O-CG1 3.28Å; V211-I215 WeakPolarHBondContact O-CG1 3.29Å; V211-I215 PolarHBondContact O-N 3.33Å |
| 212 | E | 50.2 | Low | 57.6 | Low | 113 Ų | 113 | 128.3 Ų | 128.3 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.9 | -37.6 | 172.7 | -83.4 | 176.1 | 174.8 | 0 | 0 | 111.3 | E208 E214 I215 F216 | E208-E212 WeakPolarHBondContact O-CB 3.27Å; E208-E212 VanDerWaalsContact O-CG 3.24Å; E208-E212 WeakPolarHBondContact O-CG 3.38Å; E208-E212 PolarHBondContact O-N 2.68Å; E212-E214 PolarHBondContact O-N 2.86Å; E212-I215 PolarHBondContact O-N 3.45Å; E212-F216 WeakPolarHBondContact O-CB 3.35Å; E212-F216 PolarHBondContact O-N 2.89Å |
| 213 | E | 51.4 | Low | 56.3 | Low | 162 Ų | 162 | 128.1 Ų | 128.1 | 76% | 0.757 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.6 | -25.7 | 175.7 | -146.8 | 173.8 | -159.2 | 0 | 0 | 112.5 | F209 | F209-E213 PolarHBondContact O-N 3.42Å |
| 214 | E | 49.3 | Very low | 54.9 | Low | 160 Ų | 160 | 132.1 Ų | 132.1 | 75% | 0.748 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -89.2 | -31 | 177.5 | -154.1 | 167.6 | -154.6 | 0 | 0 | 113 | V211 E212 | V211-E214 PolarHBondContact O-N 3.4Å; E212-E214 PolarHBondContact O-N 2.86Å |
| 215 | I | 50 | Low | 54 | Low | 75 Ų | 75 | 135 Ų | 135 | 39% | 0.385 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -89.4 | -23.5 | 179.3 | -63.2 | 177.4 | 0 | 0 | 0 | 112.7 | V211 E212 F217 Q218 E219 | V211-I215 HydrophobicContact CG1-CD1 3.41Å; V211-I215 VanDerWaalsContact CG1-CD1 3.41Å; V211-I215 HydrophobicContact CG1-CG1 4.09Å; V211-I215 WeakPolarHBondContact O-CB 3.31Å; V211-I215 VanDerWaalsContact O-CG1 3.28Å; V211-I215 WeakPolarHBondContact O-CG1 3.29Å; V211-I215 PolarHBondContact O-N 3.33Å; E212-I215 PolarHBondContact O-N 3.45Å; I215-F217 PolarHBondContact O-N 3.49Å; I215-Q218 PolarHBondContact O-N 3.21Å; I215-E219 HydrophobicContact CG2-CB 4.41Å |
| 216 | F | 43.6 | Very low | 53.5 | Low | 133 Ų | 133 | 132.4 Ų | 132.4 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -17.5 | -173.5 | -168.3 | -99.1 | 0 | 0 | 0 | 114.6 | E212 Y220 | E212-F216 WeakPolarHBondContact O-CB 3.35Å; E212-F216 PolarHBondContact O-N 2.89Å; F216-Y220 HydrophobicContact CE2-CE2 4.05Å; F216-Y220 AromaticContact CZ-CE2 3.96Å; F216-Y220 HydrophobicContact CZ-CE2 3.96Å |
| 217 | F | 48.7 | Very low | 53.3 | Low | 189 Ų | 189 | 134.7 Ų | 134.7 | 83% | 0.829 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -10.6 | 173 | -79.3 | -77.3 | 0 | 0 | 0 | 114.7 | I215 | I215-F217 PolarHBondContact O-N 3.49Š|
| 218 | Q | 48.8 | Very low | 53.9 | Low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -17.2 | -172.1 | -159.4 | 165.2 | 15.9 | 0 | 0 | 114.2 | I215 | I215-Q218 PolarHBondContact O-N 3.21Š|
| 219 | E | 48.5 | Very low | 54.9 | Low | 146 Ų | 146 | 136.4 Ų | 136.4 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | trans | -120.3 | 51.1 | -171.3 | -159.8 | 163.9 | -163 | 0 | 0 | 112.5 | I215 | I215-E219 HydrophobicContact CG2-CB 4.41Š| ||
| 220 | Y | 45.2 | Very low | 56 | Low | 179 Ų | 179 | 135.4 Ų | 135.4 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | trans | -111.4 | 10.4 | 172.8 | -115.9 | -81.7 | 0 | 0 | 0 | 114.9 | F216 | F216-Y220 HydrophobicContact CE2-CE2 4.05Å; F216-Y220 AromaticContact CZ-CE2 3.96Å; F216-Y220 HydrophobicContact CZ-CE2 3.96Å | ||
| 221 | D | 47.1 | Very low | 57.5 | Low | 160 Ų | 160 | 134.3 Ų | 134.3 | 86% | 0.856 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -127 | 62.9 | 179.6 | -84.8 | -29.1 | 0 | 0 | 0 | 112.9 | ||
| 222 | E | 51.3 | Low | 58.9 | Low | 126 Ų | 126 | 136.5 Ų | 136.5 | 59% | 0.589 | 65% | 0.65 | S | S | * | * | trans | -165.1 | 130.2 | 140.8 | -128.7 | 168.7 | 154.6 | 0 | 0 | 116 | R224 | E222-R224 VanDerWaalsContact C-N 3.26Å; E222-R224 HydrophobicContact CG-CG 4.27Å; E222-R224 PolarHBondContact O-N 3.37Å; E222-R224 IonicContact OE1-CZ 3.04Å; E222-R224 IonicContact OE1-NE 2.88Å; E222-R224 PolarHBondContact OE1-NE 3.48Å; E222-R224 IonicContact OE1-NH2 3.26Å; E222-R224 PolarHBondContact OE1-NH2 2.93Å | ||
| 223 | P | 56.9 | Low | 60.8 | Low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 35.1 | -177.4 | 34.8 | -36.5 | 0 | 0 | 0 | 114.2 | ||
| 224 | R | 53.3 | Low | 62.6 | Low | 193 Ų | 193 | 133.7 Ų | 133.7 | 73% | 0.728 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -15 | -175.2 | -68.4 | -168.2 | -169.7 | -145.8 | 5.5 | 115.2 | E222 | E222-R224 VanDerWaalsContact C-N 3.26Å; E222-R224 HydrophobicContact CG-CG 4.27Å; E222-R224 PolarHBondContact O-N 3.37Å; E222-R224 IonicContact OE1-CZ 3.04Å; E222-R224 IonicContact OE1-NE 2.88Å; E222-R224 PolarHBondContact OE1-NE 3.48Å; E222-R224 IonicContact OE1-NH2 3.26Å; E222-R224 PolarHBondContact OE1-NH2 2.93Å |
| 225 | M | 55.8 | Low | 64.6 | Low | 135 Ų | 135 | 129.9 Ų | 129.9 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -80.7 | -17.6 | -171.5 | -69.2 | -61.4 | -147.1 | 0 | 0 | 115.4 | K227 L229 | M225-K227 PolarHBondContact O-N 2.98Å; M225-L229 VanDerWaalsContact O-CB 3.25Å; M225-L229 WeakPolarHBondContact O-CB 3.35Å; M225-L229 PolarHBondContact O-N 3.39Å |
| 226 | D | 60.9 | Low | 66.6 | Low | 102 Ų | 102 | 129.6 Ų | 129.6 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.2 | -30 | -167.3 | -75.1 | -28.3 | 0 | 0 | 0 | 114.7 | N230 | D226-N230 WeakPolarHBondContact O-CB 3.37Å; D226-N230 PolarHBondContact O-N 3Å; D226-N230 PolarHBondContact O-ND2 3.22Å |
| 227 | K | 64.4 | Low | 69 | Low | 171 Ų | 171 | 126.1 Ų | 126.1 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.7 | -50.9 | -179.2 | -72.8 | -177.6 | -179.7 | 176.9 | 0 | 112.3 | M225 L229 N230 E231 | M225-K227 PolarHBondContact O-N 2.98Å; K227-L229 VanDerWaalsContact C-N 3.3Å; K227-L229 PolarHBondContact O-N 3.48Å; K227-N230 PolarHBondContact O-N 3.39Å; K227-E231 PolarHBondContact O-N 3.27Å; K227-E231 VanDerWaalsContact O-N 3.15Å |
| 228 | N | 76.6 | Confident | 71.3 | Confident | 118 Ų | 118 | 121.8 Ų | 121.8 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.4 | -36.7 | 177.8 | -80 | -5.6 | 0 | 0 | 0 | 112 | E231 L232 | N228-E231 PolarHBondContact O-N 2.93Å; N228-L232 WeakPolarHBondContact O-CB 3.42Å; N228-L232 PolarHBondContact O-N 3.4Å |
| 229 | L | 81.1 | Confident | 73.5 | Confident | 76 Ų | 76 | 118.1 Ų | 118.1 | 40% | 0.398 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 177.2 | -178.6 | 61.5 | 0 | 0 | 0 | 112.2 | M225 K227 L232 K233 | M225-L229 VanDerWaalsContact O-CB 3.25Å; M225-L229 WeakPolarHBondContact O-CB 3.35Å; M225-L229 PolarHBondContact O-N 3.39Å; K227-L229 VanDerWaalsContact C-N 3.3Å; K227-L229 PolarHBondContact O-N 3.48Å; L229-L232 PolarHBondContact O-N 2.97Å; L229-K233 HydrophobicContact CG-CD 4.37Å; L229-K233 WeakPolarHBondContact O-CB 3.39Å; L229-K233 WeakPolarHBondContact O-CG 3.42Å; L229-K233 PolarHBondContact O-N 3.14Å |
| 230 | N | 83.1 | Confident | 75.8 | Confident | 97 Ų | 97 | 117.1 Ų | 117.1 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68 | -40 | 178.7 | -75 | -23.9 | 0 | 0 | 0 | 112.3 | D226 K227 K233 H234 | D226-N230 WeakPolarHBondContact O-CB 3.37Å; D226-N230 PolarHBondContact O-N 3Å; D226-N230 PolarHBondContact O-ND2 3.22Å; K227-N230 PolarHBondContact O-N 3.39Å; N230-K233 PolarHBondContact O-N 2.84Å; N230-H234 WeakPolarHBondContact O-CB 3.37Å; N230-H234 PolarHBondContact O-N 3.48Å |
| 231 | E | 85.5 | Confident | 78.3 | Confident | 120 Ų | 120 | 116.1 Ų | 116.1 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.8 | -43.3 | 173.6 | -71.3 | -179.2 | -168.8 | 0 | 0 | 111.9 | K227 N228 H234 N235 | K227-E231 PolarHBondContact O-N 3.27Å; K227-E231 VanDerWaalsContact O-N 3.15Å; N228-E231 PolarHBondContact O-N 2.93Å; E231-H234 PolarHBondContact O-N 3.27Å; E231-N235 WeakPolarHBondContact O-CB 3.37Å; E231-N235 VanDerWaalsContact O-CG 3.31Å; E231-N235 PolarHBondContact O-N 3.46Å; E231-N235 PolarHBondContact O-ND2 3.42Å |
| 232 | L | 85.8 | Confident | 80.7 | Confident | 119 Ų | 119 | 113.3 Ų | 113.3 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -43.1 | 176.9 | -171.4 | 65.6 | 0 | 0 | 0 | 111.9 | N228 L229 H234 N235 S236 | N228-L232 WeakPolarHBondContact O-CB 3.42Å; N228-L232 PolarHBondContact O-N 3.4Å; L229-L232 PolarHBondContact O-N 2.97Å; L232-H234 VanDerWaalsContact C-N 3.32Å; L232-H234 PolarHBondContact O-N 3.14Å; L232-N235 PolarHBondContact O-N 2.86Å; L232-S236 VanDerWaalsContact O-CB 3.31Å; L232-S236 WeakPolarHBondContact O-CB 3.5Å; L232-S236 PolarHBondContact O-N 3.32Å |
| 233 | K | 89.6 | Confident | 82.8 | Confident | 116 Ų | 116 | 113.1 Ų | 113.1 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.7 | -41.3 | 174.2 | -78.1 | 176.8 | 178.6 | 174.2 | 0 | 111.9 | L229 N230 S237 | L229-K233 HydrophobicContact CG-CD 4.37Å; L229-K233 WeakPolarHBondContact O-CB 3.39Å; L229-K233 WeakPolarHBondContact O-CG 3.42Å; L229-K233 PolarHBondContact O-N 3.14Å; N230-K233 PolarHBondContact O-N 2.84Å; K233-S237 WeakPolarHBondContact O-CB 3.43Å; K233-S237 PolarHBondContact O-N 2.97Å; K233-S237 PolarHBondContact O-OG 3.19Å |
| 234 | H | 90.1 | Very high | 84.8 | Confident | 101 Ų | 101 | 110.1 Ų | 110.1 | 47% | 0.468 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 176.7 | -177.1 | 72.1 | 0 | 0 | 0 | 112.1 | N230 E231 L232 S237 K238 | N230-H234 WeakPolarHBondContact O-CB 3.37Å; N230-H234 PolarHBondContact O-N 3.48Å; E231-H234 PolarHBondContact O-N 3.27Å; L232-H234 VanDerWaalsContact C-N 3.32Å; L232-H234 PolarHBondContact O-N 3.14Å; H234-S237 PolarHBondContact O-N 2.81Å; H234-K238 PolarHBondContact CD2-NZ 3.39Å; H234-K238 VanDerWaalsContact CD2-NZ 3.3Å; H234-K238 WeakPolarHBondContact NE2-CE 3.45Å; H234-K238 PolarHBondContact NE2-NZ 3.06Å; H234-K238 PolarHBondContact O-N 3.2Å |
| 235 | N | 90.7 | Very high | 86.9 | Confident | 79 Ų | 79 | 103 Ų | 103 | 42% | 0.422 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.8 | -71.4 | -20.7 | 0 | 0 | 0 | 112.1 | E231 L232 S237 K238 V239 | E231-N235 WeakPolarHBondContact O-CB 3.37Å; E231-N235 VanDerWaalsContact O-CG 3.31Å; E231-N235 PolarHBondContact O-N 3.46Å; E231-N235 PolarHBondContact O-ND2 3.42Å; L232-N235 PolarHBondContact O-N 2.86Å; N235-S237 VanDerWaalsContact C-N 3.31Å; N235-S237 PolarHBondContact O-N 3.42Å; N235-K238 WeakPolarHBondContact O-CB 3.46Å; N235-K238 PolarHBondContact O-N 2.95Å; N235-K238 VanDerWaalsContact O-N 3.16Å; N235-V239 WeakPolarHBondContact O-CG2 3.12Å; N235-V239 PolarHBondContact O-N 3.16Å |
| 236 | S | 91.8 | Very high | 88.9 | Confident | 70 Ų | 70 | 101.6 Ų | 101.6 | 49% | 0.49 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 172.3 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | L232 K238 V239 Q240 | L232-S236 VanDerWaalsContact O-CB 3.31Å; L232-S236 WeakPolarHBondContact O-CB 3.5Å; L232-S236 PolarHBondContact O-N 3.32Å; S236-K238 PolarHBondContact O-N 3.45Å; S236-V239 PolarHBondContact O-N 3.45Å; S236-Q240 WeakPolarHBondContact O-CB 3.49Å; S236-Q240 PolarHBondContact O-N 3.34Å |
| 237 | S | 94.6 | Very high | 90.6 | Very high | 60 Ų | 60 | 102.9 Ų | 102.9 | 42% | 0.42 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | K233 H234 N235 R241 | K233-S237 WeakPolarHBondContact O-CB 3.43Å; K233-S237 PolarHBondContact O-N 2.97Å; K233-S237 PolarHBondContact O-OG 3.19Å; H234-S237 PolarHBondContact O-N 2.81Å; N235-S237 VanDerWaalsContact C-N 3.31Å; N235-S237 PolarHBondContact O-N 3.42Å; S237-R241 WeakPolarHBondContact O-CG 3.41Å; S237-R241 PolarHBondContact O-N 3Å; S237-R241 VanDerWaalsContact O-N 3.14Å; S237-R241 PolarHBondContact O-NE 2.63Å |
| 238 | K | 95.8 | Very high | 92.2 | Very high | 98 Ų | 98 | 100.8 Ų | 100.8 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -48.6 | 172.5 | -78.9 | 173 | 170.7 | 161.1 | 0 | 111.5 | H234 N235 S236 Q240 R241 L242 | H234-K238 PolarHBondContact CD2-NZ 3.39Å; H234-K238 VanDerWaalsContact CD2-NZ 3.3Å; H234-K238 WeakPolarHBondContact NE2-CE 3.45Å; H234-K238 PolarHBondContact NE2-NZ 3.06Å; H234-K238 PolarHBondContact O-N 3.2Å; N235-K238 WeakPolarHBondContact O-CB 3.46Å; N235-K238 PolarHBondContact O-N 2.95Å; N235-K238 VanDerWaalsContact O-N 3.16Å; S236-K238 PolarHBondContact O-N 3.45Å; K238-Q240 VanDerWaalsContact C-N 3.32Å; K238-Q240 PolarHBondContact O-N 3.03Å; K238-R241 PolarHBondContact O-N 3.44Å; K238-L242 PolarHBondContact O-N 3.03Å |
| 239 | V | 95.9 | Very high | 93.3 | Very high | 96 Ų | 96 | 100.8 Ų | 100.8 | 58% | 0.582 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | N235 S236 R241 L242 L243 | N235-V239 WeakPolarHBondContact O-CG2 3.12Å; N235-V239 PolarHBondContact O-N 3.16Å; S236-V239 PolarHBondContact O-N 3.45Å; V239-R241 PolarHBondContact O-N 3.27Å; V239-L242 PolarHBondContact O-N 3.43Å; V239-L243 WeakPolarHBondContact O-CB 3.41Å; V239-L243 PolarHBondContact O-N 2.83Å |
| 240 | Q | 96.6 | Very high | 94.1 | Very high | 125 Ų | 125 | 102.6 Ų | 102.6 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 177 | -174.9 | 170.1 | -5.8 | 0 | 0 | 112.2 | S236 K238 L243 S244 | S236-Q240 WeakPolarHBondContact O-CB 3.49Å; S236-Q240 PolarHBondContact O-N 3.34Å; K238-Q240 VanDerWaalsContact C-N 3.32Å; K238-Q240 PolarHBondContact O-N 3.03Å; Q240-L243 PolarHBondContact O-N 3.26Å; Q240-S244 PolarHBondContact O-N 2.95Å; Q240-S244 PolarHBondContact O-OG 3.3Å; Q240-S244 VanDerWaalsContact O-OG 3.14Å |
| 241 | R | 96.6 | Very high | 94.8 | Very high | 158 Ų | 158 | 103.7 Ų | 103.7 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 174.3 | -78.3 | -175.5 | -69.6 | 143.9 | -7.5 | 112.3 | S237 K238 V239 S244 S245 | S237-R241 WeakPolarHBondContact O-CG 3.41Å; S237-R241 PolarHBondContact O-N 3Å; S237-R241 VanDerWaalsContact O-N 3.14Å; S237-R241 PolarHBondContact O-NE 2.63Å; K238-R241 PolarHBondContact O-N 3.44Å; V239-R241 PolarHBondContact O-N 3.27Å; R241-S244 PolarHBondContact O-N 3Å; R241-S245 PolarHBondContact O-N 3.25Å |
| 242 | L | 97.5 | Very high | 95.4 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 177.3 | -174.2 | 64.6 | 0 | 0 | 0 | 111 | K238 V239 S244 S245 H246 | K238-L242 PolarHBondContact O-N 3.03Å; V239-L242 PolarHBondContact O-N 3.43Å; L242-S244 PolarHBondContact O-N 3Å; L242-S245 PolarHBondContact O-N 2.94Å; L242-H246 PolarHBondContact O-CD2 3.03Å; L242-H246 PolarHBondContact O-N 2.89Å |
| 243 | L | 97.2 | Very high | 96 | Very high | 122 Ų | 122 | 100.4 Ų | 100.4 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 177.2 | -175.4 | 66.1 | 0 | 0 | 0 | 111.8 | V239 Q240 H246 K247 | V239-L243 WeakPolarHBondContact O-CB 3.41Å; V239-L243 PolarHBondContact O-N 2.83Å; Q240-L243 PolarHBondContact O-N 3.26Å; L243-H246 PolarHBondContact O-N 2.91Å; L243-K247 WeakPolarHBondContact O-CB 3.43Å; L243-K247 PolarHBondContact O-N 3.4Å |
| 244 | S | 97.2 | Very high | 96.3 | Very high | 54 Ų | 54 | 98.5 Ų | 98.5 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.5 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | Q240 R241 L242 H246 K247 E248 | Q240-S244 PolarHBondContact O-N 2.95Å; Q240-S244 PolarHBondContact O-OG 3.3Å; Q240-S244 VanDerWaalsContact O-OG 3.14Å; R241-S244 PolarHBondContact O-N 3Å; L242-S244 PolarHBondContact O-N 3Å; S244-H246 PolarHBondContact O-N 3.44Å; S244-K247 WeakPolarHBondContact O-CB 3.4Å; S244-K247 PolarHBondContact O-N 2.98Å; S244-E248 WeakPolarHBondContact O-CG 3.41Å; S244-E248 PolarHBondContact O-N 3.17Å |
| 245 | S | 97.8 | Very high | 96.7 | Very high | 44 Ų | 44 | 98.6 Ų | 98.6 | 31% | 0.308 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 112.5 | R241 L242 K247 E248 K249 | R241-S245 PolarHBondContact O-N 3.25Å; L242-S245 PolarHBondContact O-N 2.94Å; S245-K247 VanDerWaalsContact C-N 3.33Å; S245-K247 PolarHBondContact O-N 3.49Å; S245-E248 PolarHBondContact O-N 3.43Å; S245-K249 WeakPolarHBondContact O-CG 3.31Å; S245-K249 PolarHBondContact O-N 3.09Å |
| 246 | H | 97.7 | Very high | 97.1 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 175.2 | -79.5 | -72.7 | 0 | 0 | 0 | 112.4 | L242 L243 S244 K249 L250 | L242-H246 PolarHBondContact O-CD2 3.03Å; L242-H246 PolarHBondContact O-N 2.89Å; L243-H246 PolarHBondContact O-N 2.91Å; S244-H246 PolarHBondContact O-N 3.44Å; H246-K249 PolarHBondContact O-N 3.18Å; H246-L250 VanDerWaalsContact O-CB 3.29Å; H246-L250 WeakPolarHBondContact O-CB 3.4Å; H246-L250 PolarHBondContact O-N 3.42Å |
| 247 | K | 98 | Very high | 97.4 | Very high | 130 Ų | 130 | 99.5 Ų | 99.5 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 175 | -178.3 | -176.3 | 175.8 | -175.3 | 0 | 111.3 | L243 S244 S245 L250 Q251 | L243-K247 WeakPolarHBondContact O-CB 3.43Å; L243-K247 PolarHBondContact O-N 3.4Å; S244-K247 WeakPolarHBondContact O-CB 3.4Å; S244-K247 PolarHBondContact O-N 2.98Å; S245-K247 VanDerWaalsContact C-N 3.33Å; S245-K247 PolarHBondContact O-N 3.49Å; K247-L250 PolarHBondContact O-N 3.05Å; K247-Q251 WeakPolarHBondContact O-CG 3.48Å; K247-Q251 PolarHBondContact O-N 3.46Å |
| 248 | E | 97.8 | Very high | 97.5 | Very high | 126 Ų | 126 | 100 Ų | 100 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 176.2 | -73.2 | 169.7 | -171.5 | 0 | 0 | 111.5 | S244 S245 L250 Q251 S252 | S244-E248 WeakPolarHBondContact O-CG 3.41Å; S244-E248 PolarHBondContact O-N 3.17Å; S245-E248 PolarHBondContact O-N 3.43Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 3.49Å; E248-Q251 PolarHBondContact O-N 3.48Å; E248-S252 PolarHBondContact O-N 3.24Å |
| 249 | K | 98.1 | Very high | 97.6 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 174.9 | -72.7 | 177.1 | -177.2 | 178.5 | 0 | 112.5 | S245 H246 Q251 S252 L253 | S245-K249 WeakPolarHBondContact O-CG 3.31Å; S245-K249 PolarHBondContact O-N 3.09Å; H246-K249 PolarHBondContact O-N 3.18Å; K249-Q251 VanDerWaalsContact C-N 3.34Å; K249-S252 PolarHBondContact O-N 3.13Å; K249-S252 PolarHBondContact O-OG 2.97Å; K249-L253 WeakPolarHBondContact O-CB 3.5Å; K249-L253 VanDerWaalsContact O-CG 3.28Å; K249-L253 WeakPolarHBondContact O-CG 3.47Å; K249-L253 PolarHBondContact O-N 2.76Å |
| 250 | L | 97.9 | Very high | 97.8 | Very high | 115 Ų | 115 | 100.4 Ų | 100.4 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 177.2 | -176.8 | 64.8 | 0 | 0 | 0 | 110.9 | H246 K247 E248 T254 | H246-L250 VanDerWaalsContact O-CB 3.29Å; H246-L250 WeakPolarHBondContact O-CB 3.4Å; H246-L250 PolarHBondContact O-N 3.42Å; K247-L250 PolarHBondContact O-N 3.05Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 3.49Å; L250-T254 VanDerWaalsContact O-CB 3.31Å; L250-T254 WeakPolarHBondContact O-CB 3.34Å; L250-T254 PolarHBondContact O-N 3.34Å; L250-T254 PolarHBondContact O-OG1 2.86Å |
| 251 | Q | 97.9 | Very high | 97.8 | Very high | 119 Ų | 119 | 97.3 Ų | 97.3 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 176.1 | -74.6 | 177.5 | -19.5 | 0 | 0 | 111.9 | K247 E248 K249 T254 L255 | K247-Q251 WeakPolarHBondContact O-CG 3.48Å; K247-Q251 PolarHBondContact O-N 3.46Å; E248-Q251 PolarHBondContact O-N 3.48Å; K249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-T254 PolarHBondContact O-N 3Å; Q251-L255 PolarHBondContact O-N 3.33Å |
| 252 | S | 98.2 | Very high | 97.9 | Very high | 66 Ų | 66 | 94.1 Ų | 94.1 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 177.4 | 68.9 | 0 | 0 | 0 | 0 | 111.9 | E248 K249 T254 L255 E256 | E248-S252 PolarHBondContact O-N 3.24Å; K249-S252 PolarHBondContact O-N 3.13Å; K249-S252 PolarHBondContact O-OG 2.97Å; S252-T254 VanDerWaalsContact C-N 3.31Å; S252-T254 PolarHBondContact O-N 3.35Å; S252-L255 WeakPolarHBondContact O-CB 3.23Å; S252-L255 PolarHBondContact O-N 2.84Å; S252-E256 WeakPolarHBondContact O-CB 3.46Å; S252-E256 PolarHBondContact O-N 2.9Å |
| 253 | L | 98.3 | Very high | 98 | Very high | 104 Ų | 104 | 92 Ų | 92 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 176.2 | -73.2 | 171.5 | 0 | 0 | 0 | 112.2 | K249 S257 | K249-L253 WeakPolarHBondContact O-CB 3.5Å; K249-L253 VanDerWaalsContact O-CG 3.28Å; K249-L253 WeakPolarHBondContact O-CG 3.47Å; K249-L253 PolarHBondContact O-N 2.76Å; L253-S257 VanDerWaalsContact O-CB 3.27Å; L253-S257 WeakPolarHBondContact O-CB 3.35Å; L253-S257 PolarHBondContact O-N 3.36Å |
| 254 | T | 97.3 | Very high | 98 | Very high | 76 Ų | 76 | 90.3 Ų | 90.3 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | L250 Q251 S252 S257 T258 | L250-T254 VanDerWaalsContact O-CB 3.31Å; L250-T254 WeakPolarHBondContact O-CB 3.34Å; L250-T254 PolarHBondContact O-N 3.34Å; L250-T254 PolarHBondContact O-OG1 2.86Å; Q251-T254 PolarHBondContact O-N 3Å; S252-T254 VanDerWaalsContact C-N 3.31Å; S252-T254 PolarHBondContact O-N 3.35Å; T254-S257 PolarHBondContact O-N 3.01Å; T254-T258 WeakPolarHBondContact O-CG2 3.4Å; T254-T258 PolarHBondContact O-N 3.32Å; T254-T258 PolarHBondContact O-OG1 2.66Å |
| 255 | L | 98.2 | Very high | 98.1 | Very high | 103 Ų | 103 | 91 Ų | 91 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -52.8 | 174.8 | -171.8 | 98.2 | 0 | 0 | 0 | 110.5 | Q251 S252 S257 T258 E259 | Q251-L255 PolarHBondContact O-N 3.33Å; S252-L255 WeakPolarHBondContact O-CB 3.23Å; S252-L255 PolarHBondContact O-N 2.84Å; L255-S257 VanDerWaalsContact C-N 3.3Å; L255-S257 PolarHBondContact O-N 3.03Å; L255-T258 PolarHBondContact O-N 2.88Å; L255-T258 PolarHBondContact O-OG1 3.26Å; L255-E259 PolarHBondContact O-N 3.25Å |
| 256 | E | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 95.1 Ų | 95.1 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 178.5 | -172.4 | -178.5 | 177.5 | 0 | 0 | 111.6 | S252 T258 E259 L260 | S252-E256 WeakPolarHBondContact O-CB 3.46Å; S252-E256 PolarHBondContact O-N 2.9Å; E256-T258 VanDerWaalsContact C-N 3.3Å; E256-T258 PolarHBondContact O-N 3.42Å; E256-E259 PolarHBondContact O-N 2.94Å; E256-L260 HydrophobicContact CG-CD1 4.18Å; E256-L260 HydrophobicContact CG-CG 4.47Å; E256-L260 WeakPolarHBondContact O-CB 3.45Å; E256-L260 VanDerWaalsContact O-CG 3.31Å; E256-L260 WeakPolarHBondContact O-CG 3.43Å; E256-L260 PolarHBondContact O-N 3.43Å |
| 257 | S | 97.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 97.2 Ų | 97.2 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | L253 T254 L255 S261 | L253-S257 VanDerWaalsContact O-CB 3.27Å; L253-S257 WeakPolarHBondContact O-CB 3.35Å; L253-S257 PolarHBondContact O-N 3.36Å; T254-S257 PolarHBondContact O-N 3.01Å; L255-S257 VanDerWaalsContact C-N 3.3Å; L255-S257 PolarHBondContact O-N 3.03Å; S257-S261 WeakPolarHBondContact O-CB 3.44Å; S257-S261 PolarHBondContact O-N 2.97Å; S257-S261 PolarHBondContact O-OG 2.94Å |
| 258 | T | 97.6 | Very high | 98.1 | Very high | 70 Ų | 70 | 97.6 Ų | 97.6 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.2 | -39 | 177.3 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | T254 L255 E256 S261 N262 | T254-T258 WeakPolarHBondContact O-CG2 3.4Å; T254-T258 PolarHBondContact O-N 3.32Å; T254-T258 PolarHBondContact O-OG1 2.66Å; L255-T258 PolarHBondContact O-N 2.88Å; L255-T258 PolarHBondContact O-OG1 3.26Å; E256-T258 VanDerWaalsContact C-N 3.3Å; E256-T258 PolarHBondContact O-N 3.42Å; T258-S261 PolarHBondContact O-N 2.93Å; T258-N262 VanDerWaalsContact O-CG 3.23Å; T258-N262 PolarHBondContact O-N 2.95Å; T258-N262 PolarHBondContact O-ND2 2.92Å |
| 259 | E | 98.4 | Very high | 98.2 | Very high | 108 Ų | 108 | 97.2 Ų | 97.2 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 174.4 | -72.9 | 179 | 179.8 | 0 | 0 | 111.1 | L255 E256 S261 N262 D263 | L255-E259 PolarHBondContact O-N 3.25Å; E256-E259 PolarHBondContact O-N 2.94Å; E259-S261 VanDerWaalsContact C-N 3.28Å; E259-S261 PolarHBondContact O-N 3.46Å; E259-N262 WeakPolarHBondContact O-CB 3.5Å; E259-N262 PolarHBondContact O-N 3.22Å; E259-N262 VanDerWaalsContact O-N 3.13Å; E259-D263 WeakPolarHBondContact O-CB 3.32Å; E259-D263 PolarHBondContact O-N 2.99Å |
| 260 | L | 98.4 | Very high | 98.2 | Very high | 95 Ų | 95 | 96.6 Ų | 96.6 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 174.9 | -72.2 | 174.4 | 0 | 0 | 0 | 111.9 | E256 D263 I264 | E256-L260 HydrophobicContact CG-CD1 4.18Å; E256-L260 HydrophobicContact CG-CG 4.47Å; E256-L260 WeakPolarHBondContact O-CB 3.45Å; E256-L260 VanDerWaalsContact O-CG 3.31Å; E256-L260 WeakPolarHBondContact O-CG 3.43Å; E256-L260 PolarHBondContact O-N 3.43Å; L260-D263 WeakPolarHBondContact O-CB 3.45Å; L260-D263 PolarHBondContact O-N 3.32Å; L260-I264 WeakPolarHBondContact O-CB 3.5Å; L260-I264 VanDerWaalsContact O-CG1 3.23Å; L260-I264 WeakPolarHBondContact O-CG1 3.5Å; L260-I264 PolarHBondContact O-N 3.4Å |
| 261 | S | 98.4 | Very high | 98.2 | Very high | 59 Ų | 59 | 96 Ų | 96 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 175.9 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | S257 T258 E259 D263 I264 T265 | S257-S261 WeakPolarHBondContact O-CB 3.44Å; S257-S261 PolarHBondContact O-N 2.97Å; S257-S261 PolarHBondContact O-OG 2.94Å; T258-S261 PolarHBondContact O-N 2.93Å; E259-S261 VanDerWaalsContact C-N 3.28Å; E259-S261 PolarHBondContact O-N 3.46Å; S261-D263 VanDerWaalsContact C-N 3.29Å; S261-D263 PolarHBondContact O-N 2.88Å; S261-I264 PolarHBondContact O-N 3.26Å; S261-T265 WeakPolarHBondContact O-CG2 3.19Å; S261-T265 PolarHBondContact O-N 3.14Å; S261-T265 PolarHBondContact O-OG1 3.18Å |
| 262 | N | 98.3 | Very high | 98.2 | Very high | 91 Ų | 91 | 92.4 Ų | 92.4 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 175.1 | -68.2 | -28.4 | 0 | 0 | 0 | 112.1 | T258 E259 T265 K266 | T258-N262 VanDerWaalsContact O-CG 3.23Å; T258-N262 PolarHBondContact O-N 2.95Å; T258-N262 PolarHBondContact O-ND2 2.92Å; E259-N262 WeakPolarHBondContact O-CB 3.5Å; E259-N262 PolarHBondContact O-N 3.22Å; E259-N262 VanDerWaalsContact O-N 3.13Å; N262-T265 WeakPolarHBondContact CA-OG1 3.13Å; N262-T265 PolarHBondContact O-N 2.99Å; N262-T265 PolarHBondContact O-OG1 3.48Å; N262-K266 VanDerWaalsContact O-CG 3.26Å; N262-K266 WeakPolarHBondContact O-CG 3.3Å; N262-K266 PolarHBondContact O-N 2.88Å; N262-K266 VanDerWaalsContact O-N 3.08Å |
| 263 | D | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 95.2 Ų | 95.2 | 31% | 0.31 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.9 | -37.1 | 176.9 | -108 | 33.8 | 0 | 0 | 0 | 112.4 | E259 L260 S261 K266 R267 | E259-D263 WeakPolarHBondContact O-CB 3.32Å; E259-D263 PolarHBondContact O-N 2.99Å; L260-D263 WeakPolarHBondContact O-CB 3.45Å; L260-D263 PolarHBondContact O-N 3.32Å; S261-D263 VanDerWaalsContact C-N 3.29Å; S261-D263 PolarHBondContact O-N 2.88Å; D263-K266 IonicContact OD1-NZ 2.82Å; D263-R267 WeakPolarHBondContact O-CB 3.37Å; D263-R267 WeakPolarHBondContact O-CG 3.32Å; D263-R267 PolarHBondContact O-N 3.48Å; D263-R267 IonicContact OD2-CZ 3.49Å; D263-R267 IonicContact OD2-NH1 2.88Å; D263-R267 PolarHBondContact OD2-NH1 2.71Å; D263-R267 IonicContact OD2-NH2 3.92Å |
| 264 | I | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 94 Ų | 94 | 44% | 0.441 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 172.7 | -71.2 | 163.8 | 0 | 0 | 0 | 110.4 | L260 S261 R267 K268 | L260-I264 WeakPolarHBondContact O-CB 3.5Å; L260-I264 VanDerWaalsContact O-CG1 3.23Å; L260-I264 WeakPolarHBondContact O-CG1 3.5Å; L260-I264 PolarHBondContact O-N 3.4Å; S261-I264 PolarHBondContact O-N 3.26Å; I264-R267 PolarHBondContact O-N 3.26Å; I264-K268 HydrophobicContact CG2-CD 4.17Å; I264-K268 WeakPolarHBondContact O-CG 3.28Å; I264-K268 PolarHBondContact O-N 3.27Å |
| 265 | T | 98.2 | Very high | 98.3 | Very high | 70 Ų | 70 | 95.5 Ų | 95.5 | 43% | 0.429 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 178.7 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | S261 N262 R267 K268 E269 | S261-T265 WeakPolarHBondContact O-CG2 3.19Å; S261-T265 PolarHBondContact O-N 3.14Å; S261-T265 PolarHBondContact O-OG1 3.18Å; N262-T265 WeakPolarHBondContact CA-OG1 3.13Å; N262-T265 PolarHBondContact O-N 2.99Å; N262-T265 PolarHBondContact O-OG1 3.48Å; T265-R267 PolarHBondContact O-N 2.89Å; T265-K268 WeakPolarHBondContact O-CB 3.48Å; T265-K268 PolarHBondContact O-N 3.47Å; T265-E269 WeakPolarHBondContact O-CG 3.46Å; T265-E269 PolarHBondContact O-N 2.97Å |
| 266 | K | 98.4 | Very high | 98.3 | Very high | 129 Ų | 129 | 94.3 Ų | 94.3 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.7 | -44.8 | 174.6 | -70.6 | 169.5 | -169.8 | 169 | 0 | 112.5 | N262 D263 K268 E269 L270 | N262-K266 VanDerWaalsContact O-CG 3.26Å; N262-K266 WeakPolarHBondContact O-CG 3.3Å; N262-K266 PolarHBondContact O-N 2.88Å; N262-K266 VanDerWaalsContact O-N 3.08Å; D263-K266 IonicContact OD1-NZ 2.82Å; K266-K268 PolarHBondContact O-N 3.46Å; K266-E269 PolarHBondContact O-N 3.43Å; K266-L270 PolarHBondContact O-N 3.47Å |
| 267 | R | 98.4 | Very high | 98.2 | Very high | 149 Ų | 149 | 94.1 Ų | 94.1 | 56% | 0.562 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 177.1 | -76.4 | -179.6 | 178.1 | 89.7 | -2.9 | 111.9 | D263 I264 T265 L270 L271 | D263-R267 WeakPolarHBondContact O-CB 3.37Å; D263-R267 WeakPolarHBondContact O-CG 3.32Å; D263-R267 PolarHBondContact O-N 3.48Å; D263-R267 IonicContact OD2-CZ 3.49Å; D263-R267 IonicContact OD2-NH1 2.88Å; D263-R267 PolarHBondContact OD2-NH1 2.71Å; D263-R267 IonicContact OD2-NH2 3.92Å; I264-R267 PolarHBondContact O-N 3.26Å; T265-R267 PolarHBondContact O-N 2.89Å; R267-L270 PolarHBondContact O-N 3.08Å; R267-L271 WeakPolarHBondContact O-CG 3.35Å; R267-L271 PolarHBondContact O-N 3.12Å |
| 268 | K | 98.2 | Very high | 98.3 | Very high | 139 Ų | 139 | 95.3 Ų | 95.3 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 175.1 | -75.8 | 177.6 | 177.5 | -179.4 | 0 | 112.4 | I264 T265 K266 L271 A272 | I264-K268 HydrophobicContact CG2-CD 4.17Å; I264-K268 WeakPolarHBondContact O-CG 3.28Å; I264-K268 PolarHBondContact O-N 3.27Å; T265-K268 WeakPolarHBondContact O-CB 3.48Å; T265-K268 PolarHBondContact O-N 3.47Å; K266-K268 PolarHBondContact O-N 3.46Å; K268-L271 PolarHBondContact O-N 3.17Å; K268-A272 PolarHBondContact O-N 3.23Å |
| 269 | E | 98.3 | Very high | 98.3 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 175.9 | -72.4 | 176 | -170.9 | 0 | 0 | 112.2 | T265 K266 A272 K273 | T265-E269 WeakPolarHBondContact O-CG 3.46Å; T265-E269 PolarHBondContact O-N 2.97Å; K266-E269 PolarHBondContact O-N 3.43Å; E269-A272 PolarHBondContact O-N 2.9Å; E269-K273 WeakPolarHBondContact O-CG 3.35Å; E269-K273 PolarHBondContact O-N 3.01Å; E269-K273 VanDerWaalsContact O-N 3.08Å |
| 270 | L | 98.3 | Very high | 98.3 | Very high | 105 Ų | 105 | 99.6 Ų | 99.6 | 55% | 0.55 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.8 | -176.9 | 63.9 | 0 | 0 | 0 | 111.5 | K266 R267 A272 K273 L274 | K266-L270 PolarHBondContact O-N 3.47Å; R267-L270 PolarHBondContact O-N 3.08Å; L270-A272 VanDerWaalsContact C-N 3.34Å; L270-A272 PolarHBondContact O-N 3.36Å; L270-K273 WeakPolarHBondContact O-CB 3.3Å; L270-K273 PolarHBondContact O-N 3.38Å; L270-K273 VanDerWaalsContact O-N 3.16Å; L270-L274 HydrophobicContact CG-CD1 4.28Å; L270-L274 WeakPolarHBondContact O-CG 3.28Å; L270-L274 PolarHBondContact O-N 3.36Å |
| 271 | L | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 97.7 Ų | 97.7 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 174.9 | -80.6 | 167.2 | 0 | 0 | 0 | 111.6 | R267 K268 K273 L274 E275 | R267-L271 WeakPolarHBondContact O-CG 3.35Å; R267-L271 PolarHBondContact O-N 3.12Å; K268-L271 PolarHBondContact O-N 3.17Å; L271-K273 VanDerWaalsContact C-N 3.29Å; L271-K273 PolarHBondContact O-N 3.39Å; L271-L274 PolarHBondContact O-N 3.49Å; L271-E275 WeakPolarHBondContact O-CG 3.49Å; L271-E275 PolarHBondContact O-N 3.34Å |
| 272 | A | 98.2 | Very high | 98.3 | Very high | 44 Ų | 44 | 101.5 Ų | 101.5 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K268 E269 L270 N276 | K268-A272 PolarHBondContact O-N 3.23Å; E269-A272 PolarHBondContact O-N 2.9Å; L270-A272 VanDerWaalsContact C-N 3.34Å; L270-A272 PolarHBondContact O-N 3.36Å; A272-N276 VanDerWaalsContact O-CG 3.27Å; A272-N276 PolarHBondContact O-N 2.88Å; A272-N276 PolarHBondContact O-ND2 3.47Å |
| 273 | K | 98.3 | Very high | 98.2 | Very high | 126 Ų | 126 | 103.7 Ų | 103.7 | 55% | 0.548 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 174.3 | -72.1 | 174 | -178.1 | 175.2 | 0 | 111.5 | E269 L270 L271 N276 E277 | E269-K273 WeakPolarHBondContact O-CG 3.35Å; E269-K273 PolarHBondContact O-N 3.01Å; E269-K273 VanDerWaalsContact O-N 3.08Å; L270-K273 WeakPolarHBondContact O-CB 3.3Å; L270-K273 PolarHBondContact O-N 3.38Å; L270-K273 VanDerWaalsContact O-N 3.16Å; L271-K273 VanDerWaalsContact C-N 3.29Å; L271-K273 PolarHBondContact O-N 3.39Å; K273-N276 WeakPolarHBondContact O-CB 3.46Å; K273-N276 PolarHBondContact O-N 3.22Å; K273-E277 PolarHBondContact O-N 3.35Å |
| 274 | L | 98.3 | Very high | 98.2 | Very high | 78 Ų | 78 | 107 Ų | 107 | 41% | 0.408 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 178.1 | -70.8 | 172.1 | 0 | 0 | 0 | 112.1 | L270 L271 N276 E277 I278 | L270-L274 HydrophobicContact CG-CD1 4.28Å; L270-L274 WeakPolarHBondContact O-CG 3.28Å; L270-L274 PolarHBondContact O-N 3.36Å; L271-L274 PolarHBondContact O-N 3.49Å; L274-N276 VanDerWaalsContact C-N 3.27Å; L274-N276 PolarHBondContact O-N 2.85Å; L274-E277 WeakPolarHBondContact O-CB 3.38Å; L274-E277 PolarHBondContact O-N 3.19Å; L274-I278 VanDerWaalsContact O-CG1 3.28Å; L274-I278 WeakPolarHBondContact O-CG1 3.44Å; L274-I278 PolarHBondContact O-N 3.1Å |
| 275 | E | 98.3 | Very high | 98.2 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 175.5 | -75.4 | 179.1 | -179.2 | 0 | 0 | 112.3 | L271 K279 | L271-E275 WeakPolarHBondContact O-CG 3.49Å; L271-E275 PolarHBondContact O-N 3.34Å; E275-K279 VanDerWaalsContact O-CG 3.31Å; E275-K279 WeakPolarHBondContact O-CG 3.31Å; E275-K279 PolarHBondContact O-N 2.95Å |
| 276 | N | 97.8 | Very high | 98.2 | Very high | 78 Ų | 78 | 108.7 Ų | 108.7 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.7 | -39.2 | 176 | -72.4 | -31.8 | 0 | 0 | 0 | 112.1 | A272 K273 L274 K279 R280 | A272-N276 VanDerWaalsContact O-CG 3.27Å; A272-N276 PolarHBondContact O-N 2.88Å; A272-N276 PolarHBondContact O-ND2 3.47Å; K273-N276 WeakPolarHBondContact O-CB 3.46Å; K273-N276 PolarHBondContact O-N 3.22Å; L274-N276 VanDerWaalsContact C-N 3.27Å; L274-N276 PolarHBondContact O-N 2.85Å; N276-K279 PolarHBondContact O-N 3.21Å; N276-R280 WeakPolarHBondContact O-CG 3.33Å; N276-R280 PolarHBondContact O-N 2.96Å |
| 277 | E | 98.1 | Very high | 98.1 | Very high | 98 Ų | 98 | 108.9 Ų | 108.9 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.5 | -77.4 | 169.6 | -161.3 | 0 | 0 | 111.7 | K273 L274 K279 R280 A281 | K273-E277 PolarHBondContact O-N 3.35Å; L274-E277 WeakPolarHBondContact O-CB 3.38Å; L274-E277 PolarHBondContact O-N 3.19Å; E277-K279 VanDerWaalsContact C-N 3.31Å; E277-K279 PolarHBondContact O-N 3.2Å; E277-R280 PolarHBondContact O-N 2.9Å; E277-R280 VanDerWaalsContact O-N 3.16Å; E277-A281 WeakPolarHBondContact O-CB 3.49Å; E277-A281 PolarHBondContact O-N 3.16Å |
| 278 | I | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 175.9 | -68.9 | 165.7 | 0 | 0 | 0 | 110.7 | L274 A281 K282 | L274-I278 VanDerWaalsContact O-CG1 3.28Å; L274-I278 WeakPolarHBondContact O-CG1 3.44Å; L274-I278 PolarHBondContact O-N 3.1Å; I278-A281 PolarHBondContact O-N 3Å; I278-K282 HydrophobicContact CG2-CD 4.13Å; I278-K282 HydrophobicContact CG2-CG 4.44Å; I278-K282 WeakPolarHBondContact O-CB 3.46Å; I278-K282 VanDerWaalsContact O-CG 3.3Å; I278-K282 WeakPolarHBondContact O-CG 3.45Å; I278-K282 PolarHBondContact O-N 3.08Å |
| 279 | K | 98.3 | Very high | 98.1 | Very high | 133 Ų | 133 | 102.3 Ų | 102.3 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | 176.1 | -76.3 | 169.3 | -176 | 168.3 | 0 | 112.1 | E275 N276 E277 K283 | E275-K279 VanDerWaalsContact O-CG 3.31Å; E275-K279 WeakPolarHBondContact O-CG 3.31Å; E275-K279 PolarHBondContact O-N 2.95Å; N276-K279 PolarHBondContact O-N 3.21Å; E277-K279 VanDerWaalsContact C-N 3.31Å; E277-K279 PolarHBondContact O-N 3.2Å; K279-K283 PolarHBondContact O-N 2.95Å; K279-K283 VanDerWaalsContact O-N 3.12Å |
| 280 | R | 98.1 | Very high | 98 | Very high | 135 Ų | 135 | 98.5 Ų | 98.5 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -50 | 176.3 | -72.9 | -168.1 | -61.5 | -97.6 | 4.7 | 111.4 | N276 E277 K282 K283 E284 | N276-R280 WeakPolarHBondContact O-CG 3.33Å; N276-R280 PolarHBondContact O-N 2.96Å; E277-R280 PolarHBondContact O-N 2.9Å; E277-R280 VanDerWaalsContact O-N 3.16Å; R280-K282 VanDerWaalsContact C-N 3.32Å; R280-K282 PolarHBondContact O-N 3.06Å; R280-K283 WeakPolarHBondContact O-CB 3.45Å; R280-K283 PolarHBondContact O-N 3.39Å; R280-K283 VanDerWaalsContact O-N 3.08Å; R280-E284 PolarHBondContact O-N 3.32Å |
| 281 | A | 98.2 | Very high | 98 | Very high | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E277 I278 K283 E284 S285 | E277-A281 WeakPolarHBondContact O-CB 3.49Å; E277-A281 PolarHBondContact O-N 3.16Å; I278-A281 PolarHBondContact O-N 3Å; A281-K283 PolarHBondContact O-N 3Å; A281-E284 PolarHBondContact O-N 2.96Å; A281-S285 WeakPolarHBondContact O-CB 3.26Å; A281-S285 PolarHBondContact O-N 3.4Å |
| 282 | K | 98.1 | Very high | 97.9 | Very high | 138 Ų | 138 | 98.9 Ų | 98.9 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -43.3 | 174.4 | -77.6 | -179.2 | 177.5 | -176.1 | 0 | 112.4 | I278 R280 E284 S285 L286 | I278-K282 HydrophobicContact CG2-CD 4.13Å; I278-K282 HydrophobicContact CG2-CG 4.44Å; I278-K282 WeakPolarHBondContact O-CB 3.46Å; I278-K282 VanDerWaalsContact O-CG 3.3Å; I278-K282 WeakPolarHBondContact O-CG 3.45Å; I278-K282 PolarHBondContact O-N 3.08Å; R280-K282 VanDerWaalsContact C-N 3.32Å; R280-K282 PolarHBondContact O-N 3.06Å; K282-E284 VanDerWaalsContact C-N 3.33Å; K282-E284 PolarHBondContact O-N 3.44Å; K282-S285 PolarHBondContact O-N 3.35Å; K282-L286 WeakPolarHBondContact O-CG 3.41Å; K282-L286 PolarHBondContact O-N 2.87Å |
| 283 | K | 97.9 | Very high | 97.8 | Very high | 138 Ų | 138 | 101.6 Ų | 101.6 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 177.7 | -175.2 | 176.8 | -178.2 | 177 | 0 | 111.8 | K279 R280 A281 K287 | K279-K283 PolarHBondContact O-N 2.95Å; K279-K283 VanDerWaalsContact O-N 3.12Å; R280-K283 WeakPolarHBondContact O-CB 3.45Å; R280-K283 PolarHBondContact O-N 3.39Å; R280-K283 VanDerWaalsContact O-N 3.08Å; A281-K283 PolarHBondContact O-N 3Å; K283-K287 WeakPolarHBondContact O-CG 3.49Å; K283-K287 PolarHBondContact O-N 2.89Å |
| 284 | E | 98 | Very high | 97.7 | Very high | 127 Ų | 127 | 100.9 Ų | 100.9 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.1 | -43.5 | 176.1 | -72.5 | 167.6 | -167.8 | 0 | 0 | 111.5 | R280 A281 K282 L286 K287 A288 | R280-E284 PolarHBondContact O-N 3.32Å; A281-E284 PolarHBondContact O-N 2.96Å; K282-E284 VanDerWaalsContact C-N 3.33Å; K282-E284 PolarHBondContact O-N 3.44Å; E284-L286 PolarHBondContact O-N 2.81Å; E284-K287 WeakPolarHBondContact O-CB 3.44Å; E284-K287 PolarHBondContact O-N 3.4Å; E284-K287 VanDerWaalsContact O-N 3.17Å; E284-A288 PolarHBondContact O-N 2.78Å |
| 285 | S | 97.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 101.4 Ų | 101.4 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.5 | -47.2 | 174.5 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | A281 K282 K287 A288 E289 | A281-S285 WeakPolarHBondContact O-CB 3.26Å; A281-S285 PolarHBondContact O-N 3.4Å; K282-S285 PolarHBondContact O-N 3.35Å; S285-K287 VanDerWaalsContact C-N 3.32Å; S285-K287 PolarHBondContact O-N 3.03Å; S285-A288 PolarHBondContact O-N 3.08Å; S285-E289 VanDerWaalsContact O-CB 3.28Å; S285-E289 WeakPolarHBondContact O-CB 3.43Å; S285-E289 PolarHBondContact O-N 3.28Å |
| 286 | L | 97.9 | Very high | 97.3 | Very high | 120 Ų | 120 | 99.1 Ų | 99.1 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -37.3 | 178.2 | -73.2 | 170.7 | 0 | 0 | 0 | 112.5 | K282 E284 G290 | K282-L286 WeakPolarHBondContact O-CG 3.41Å; K282-L286 PolarHBondContact O-N 2.87Å; E284-L286 PolarHBondContact O-N 2.81Å; L286-G290 PolarHBondContact O-N 3.14Å |
| 287 | K | 97.8 | Very high | 97.1 | Very high | 132 Ų | 132 | 101.8 Ų | 101.8 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -46 | 175.4 | -72 | 173.4 | 176.2 | -172 | 0 | 111.5 | K283 E284 S285 E289 G290 L291 | K283-K287 WeakPolarHBondContact O-CG 3.49Å; K283-K287 PolarHBondContact O-N 2.89Å; E284-K287 WeakPolarHBondContact O-CB 3.44Å; E284-K287 PolarHBondContact O-N 3.4Å; E284-K287 VanDerWaalsContact O-N 3.17Å; S285-K287 VanDerWaalsContact C-N 3.32Å; S285-K287 PolarHBondContact O-N 3.03Å; K287-E289 VanDerWaalsContact C-N 3.33Å; K287-G290 PolarHBondContact O-N 2.96Å; K287-L291 WeakPolarHBondContact O-CG 3.36Å; K287-L291 PolarHBondContact O-N 3.32Å |
| 288 | A | 97.2 | Very high | 96.9 | Very high | 56 Ų | 56 | 102 Ų | 102 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E284 S285 L291 N292 | E284-A288 PolarHBondContact O-N 2.78Å; S285-A288 PolarHBondContact O-N 3.08Å; A288-L291 PolarHBondContact O-N 3.01Å; A288-N292 WeakPolarHBondContact O-CB 3.41Å; A288-N292 PolarHBondContact O-N 3.13Å |
| 289 | E | 97.7 | Very high | 96.5 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.6 | -172.3 | 179.2 | -179.4 | 0 | 0 | 111.7 | S285 K287 L291 N292 Q293 | S285-E289 VanDerWaalsContact O-CB 3.28Å; S285-E289 WeakPolarHBondContact O-CB 3.43Å; S285-E289 PolarHBondContact O-N 3.28Å; K287-E289 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 3.33Å; E289-N292 PolarHBondContact O-N 3.43Å; E289-Q293 WeakPolarHBondContact O-CB 3.47Å; E289-Q293 WeakPolarHBondContact O-CG 3.45Å; E289-Q293 PolarHBondContact O-N 3.42Å; E289-Q293 PolarHBondContact OE1-NE2 2.87Å |
| 290 | G | 97.4 | Very high | 96 | Very high | 38 Ų | 38 | 102.5 Ų | 102.5 | 39% | 0.392 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L286 K287 F294 | L286-G290 PolarHBondContact O-N 3.14Å; K287-G290 PolarHBondContact O-N 2.96Å; G290-F294 PolarHBondContact O-N 3.28Å |
| 291 | L | 97 | Very high | 95.4 | Very high | 115 Ų | 115 | 102.4 Ų | 102.4 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 174.5 | -71.1 | 174.5 | 0 | 0 | 0 | 112 | K287 A288 E289 F294 L295 | K287-L291 WeakPolarHBondContact O-CG 3.36Å; K287-L291 PolarHBondContact O-N 3.32Å; A288-L291 PolarHBondContact O-N 3.01Å; E289-L291 PolarHBondContact O-N 3.33Å; L291-F294 WeakPolarHBondContact O-CB 3.34Å; L291-F294 PolarHBondContact O-N 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3.45Å; L291-L295 PolarHBondContact O-N 3.4Å |
| 292 | N | 96.6 | Very high | 94.7 | Very high | 99 Ų | 99 | 107.4 Ų | 107.4 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.5 | -168.9 | 42.1 | 0 | 0 | 0 | 111.3 | A288 E289 F294 L295 C296 | A288-N292 WeakPolarHBondContact O-CB 3.41Å; A288-N292 PolarHBondContact O-N 3.13Å; E289-N292 PolarHBondContact O-N 3.43Å; N292-F294 VanDerWaalsContact C-N 3.3Å; N292-F294 PolarHBondContact O-N 3.11Å; N292-L295 PolarHBondContact O-N 3.39Å; N292-C296 WeakPolarHBondContact O-CB 3.39Å; N292-C296 PolarHBondContact O-N 2.93Å; N292-C296 PolarHBondContact O-SG 2.86Å |
| 293 | Q | 96.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 108 Ų | 108 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.2 | -39.7 | 174.5 | -72.4 | 177.9 | 13.1 | 0 | 0 | 112 | E289 K297 | E289-Q293 WeakPolarHBondContact O-CB 3.47Å; E289-Q293 WeakPolarHBondContact O-CG 3.45Å; E289-Q293 PolarHBondContact O-N 3.42Å; E289-Q293 PolarHBondContact OE1-NE2 2.87Å; Q293-K297 WeakPolarHBondContact O-CG 3.45Å; Q293-K297 PolarHBondContact O-N 3.24Å; Q293-K297 VanDerWaalsContact O-N 3.13Å |
| 294 | F | 96.3 | Very high | 92.8 | Very high | 110 Ų | 110 | 106 Ų | 106 | 48% | 0.482 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -49.3 | 175 | 175.5 | -94.3 | 0 | 0 | 0 | 111.8 | G290 L291 N292 C296 K297 E298 | G290-F294 PolarHBondContact O-N 3.28Å; L291-F294 WeakPolarHBondContact O-CB 3.34Å; L291-F294 PolarHBondContact O-N 3.29Å; N292-F294 VanDerWaalsContact C-N 3.3Å; N292-F294 PolarHBondContact O-N 3.11Å; F294-C296 VanDerWaalsContact C-N 3.34Å; F294-C296 PolarHBondContact O-N 3.23Å; F294-K297 WeakPolarHBondContact O-CB 3.32Å; F294-K297 PolarHBondContact O-N 2.86Å; F294-K297 VanDerWaalsContact O-N 3.11Å; F294-E298 VanDerWaalsContact CE1-CD 3.4Å; F294-E298 HydrophobicContact CE1-CG 3.91Å; F294-E298 WeakPolarHBondContact CE1-OE1 3.48Å; F294-E298 HydrophobicContact CZ-CG 3.94Å; F294-E298 WeakPolarHBondContact CZ-OE1 3.39Å; F294-E298 PolarHBondContact O-N 3.36Å |
| 295 | L | 95 | Very high | 91.9 | Very high | 89 Ų | 89 | 103.3 Ų | 103.3 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 178.5 | -68.5 | 172.6 | 0 | 0 | 0 | 112.3 | L291 N292 K297 E298 L299 | L291-L295 WeakPolarHBondContact O-CG 3.45Å; L291-L295 PolarHBondContact O-N 3.4Å; N292-L295 PolarHBondContact O-N 3.39Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.45Å; L295-E298 PolarHBondContact O-N 3.36Å; L295-L299 WeakPolarHBondContact O-CB 3.45Å; L295-L299 WeakPolarHBondContact O-CG 3.28Å; L295-L299 PolarHBondContact O-N 2.97Å |
| 296 | C | 94 | Very high | 91.2 | Very high | 61 Ų | 61 | 103.7 Ų | 103.7 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 173.7 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | N292 F294 L299 T300 | N292-C296 WeakPolarHBondContact O-CB 3.39Å; N292-C296 PolarHBondContact O-N 2.93Å; N292-C296 PolarHBondContact O-SG 2.86Å; F294-C296 VanDerWaalsContact C-N 3.34Å; F294-C296 PolarHBondContact O-N 3.23Å; C296-L299 PolarHBondContact O-N 3.05Å; C296-T300 WeakPolarHBondContact O-CG2 3.35Å; C296-T300 PolarHBondContact O-N 2.82Å; C296-T300 PolarHBondContact O-OG1 3.41Å |
| 297 | K | 93.5 | Very high | 90.6 | Very high | 133 Ų | 133 | 104.7 Ų | 104.7 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65 | -46.1 | 174.8 | -71.6 | 173.2 | -178.6 | -179.5 | 0 | 111.8 | Q293 F294 L295 L299 T300 D301 | Q293-K297 WeakPolarHBondContact O-CG 3.45Å; Q293-K297 PolarHBondContact O-N 3.24Å; Q293-K297 VanDerWaalsContact O-N 3.13Å; F294-K297 WeakPolarHBondContact O-CB 3.32Å; F294-K297 PolarHBondContact O-N 2.86Å; F294-K297 VanDerWaalsContact O-N 3.11Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.45Å; K297-L299 VanDerWaalsContact C-N 3.26Å; K297-L299 PolarHBondContact O-N 3.04Å; K297-T300 WeakPolarHBondContact CA-OG1 3.45Å; K297-T300 PolarHBondContact O-N 3.29Å; K297-T300 VanDerWaalsContact O-N 3.14Å; K297-T300 PolarHBondContact O-OG1 3.45Å; K297-D301 WeakPolarHBondContact O-CB 3.37Å; K297-D301 PolarHBondContact O-N 2.91Å |
| 298 | E | 92.4 | Very high | 90.1 | Very high | 103 Ų | 103 | 101.9 Ų | 101.9 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 175.2 | -76.5 | -166.2 | 146.4 | 0 | 0 | 112 | F294 L295 D301 Y302 | F294-E298 VanDerWaalsContact CE1-CD 3.4Å; F294-E298 HydrophobicContact CE1-CG 3.91Å; F294-E298 WeakPolarHBondContact CE1-OE1 3.48Å; F294-E298 HydrophobicContact CZ-CG 3.94Å; F294-E298 WeakPolarHBondContact CZ-OE1 3.39Å; F294-E298 PolarHBondContact O-N 3.36Å; L295-E298 PolarHBondContact O-N 3.36Å; E298-D301 PolarHBondContact O-N 2.82Å; E298-Y302 VanDerWaalsContact O-CB 3.28Å; E298-Y302 WeakPolarHBondContact O-CB 3.49Å; E298-Y302 PolarHBondContact O-N 3.31Å |
| 299 | L | 89.8 | Confident | 89.7 | Confident | 124 Ų | 124 | 104.7 Ų | 104.7 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.9 | -34.2 | 176.5 | -74.8 | 171.5 | 0 | 0 | 0 | 113.1 | L295 C296 K297 | L295-L299 WeakPolarHBondContact O-CB 3.45Å; L295-L299 WeakPolarHBondContact O-CG 3.28Å; L295-L299 PolarHBondContact O-N 2.97Å; C296-L299 PolarHBondContact O-N 3.05Å; K297-L299 VanDerWaalsContact C-N 3.26Å; K297-L299 PolarHBondContact O-N 3.04Å |
| 300 | T | 88.9 | Confident | 89.3 | Confident | 112 Ų | 112 | 106.8 Ų | 106.8 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.3 | -34.7 | 173.7 | 51 | 0 | 0 | 0 | 0 | 112.3 | C296 K297 Y302 | C296-T300 WeakPolarHBondContact O-CG2 3.35Å; C296-T300 PolarHBondContact O-N 2.82Å; C296-T300 PolarHBondContact O-OG1 3.41Å; K297-T300 WeakPolarHBondContact CA-OG1 3.45Å; K297-T300 PolarHBondContact O-N 3.29Å; K297-T300 VanDerWaalsContact O-N 3.14Å; K297-T300 PolarHBondContact O-OG1 3.45Å; T300-Y302 VanDerWaalsContact C-N 3.3Å |
| 301 | D | 86.1 | Confident | 89.1 | Confident | 132 Ų | 132 | 111.2 Ų | 111.2 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.9 | -25 | 177.1 | -65.4 | -15.4 | 0 | 0 | 0 | 111.3 | K297 E298 H303 | K297-D301 WeakPolarHBondContact O-CB 3.37Å; K297-D301 PolarHBondContact O-N 2.91Å; E298-D301 PolarHBondContact O-N 2.82Å; D301-H303 PolarHBondContact O-N 2.95Å |
| 302 | Y | 82.3 | Confident | 88.8 | Confident | 161 Ų | 161 | 111.9 Ų | 111.9 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | trans | -72.3 | 97.5 | 174.9 | -175.4 | -97.1 | 0 | 0 | 0 | 111.1 | E298 T300 V304 | E298-Y302 VanDerWaalsContact O-CB 3.28Å; E298-Y302 WeakPolarHBondContact O-CB 3.49Å; E298-Y302 PolarHBondContact O-N 3.31Å; T300-Y302 VanDerWaalsContact C-N 3.3Å; Y302-V304 HydrophobicContact CE1-CG2 3.85Å | ||
| 303 | H | 79.4 | Confident | 88.6 | Confident | 149 Ų | 149 | 110 Ų | 110 | 69% | 0.69 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -97 | 129 | 169.7 | -171.9 | -86.8 | 0 | 0 | 0 | 110.4 | D301 P305 | D301-H303 PolarHBondContact O-N 2.95Å; H303-P305 WeakPolarHBondContact O-CD 3.01Å |
| 304 | V | 77.5 | Confident | 88.5 | Confident | 97 Ų | 97 | 111.1 Ų | 111.1 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 118.4 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | Y302 D306 | Y302-V304 HydrophobicContact CE1-CG2 3.85Å; V304-D306 PolarHBondContact O-N 2.84Å |
| 305 | P | 77.9 | Confident | 88.4 | Confident | 71 Ų | 71 | 109.5 Ų | 109.5 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 139.7 | 179.7 | -25 | 34 | 0 | 0 | 0 | 110.7 | H303 | H303-P305 WeakPolarHBondContact O-CD 3.01Š|
| 306 | D | 82.9 | Confident | 88.4 | Confident | 80 Ų | 80 | 112.2 Ų | 112.2 | 43% | 0.428 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 145.9 | 179.9 | 179.7 | 33.8 | 0 | 0 | 0 | 109.7 | V304 T308 E309 Y310 | V304-D306 PolarHBondContact O-N 2.84Å; D306-T308 PolarHBondContact O-N 3.16Å; D306-T308 VanDerWaalsContact O-N 3.08Å; D306-T308 WeakPolarHBondContact OD2-CB 3.42Å; D306-T308 WeakPolarHBondContact OD2-CG2 3.48Å; D306-T308 PolarHBondContact OD2-OG1 2.93Å; D306-E309 HydrophobicContact CB-CG 4.16Å; D306-E309 WeakPolarHBondContact O-CA 3.48Å; D306-E309 WeakPolarHBondContact O-CB 3.47Å; D306-E309 PolarHBondContact O-N 2.58Å; D306-Y310 PolarHBondContact O-N 3.38Å |
| 307 | I | 86.7 | Confident | 88.5 | Confident | 140 Ų | 140 | 114.7 Ų | 114.7 | 72% | 0.718 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.5 | -34.1 | -175.9 | -63 | 173.3 | 0 | 0 | 0 | 110 | F311 | I307-F311 VanDerWaalsContact O-CB 3.27Å; I307-F311 WeakPolarHBondContact O-CB 3.27Å; I307-F311 PolarHBondContact O-N 3.05Å |
| 308 | T | 87.4 | Confident | 88.7 | Confident | 73 Ų | 73 | 114.8 Ų | 114.8 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -46.1 | 175.2 | 72.5 | 0 | 0 | 0 | 0 | 112 | D306 Y310 F311 F312 | D306-T308 PolarHBondContact O-N 3.16Å; D306-T308 VanDerWaalsContact O-N 3.08Å; D306-T308 WeakPolarHBondContact OD2-CB 3.42Å; D306-T308 WeakPolarHBondContact OD2-CG2 3.48Å; D306-T308 PolarHBondContact OD2-OG1 2.93Å; T308-Y310 PolarHBondContact O-N 2.88Å; T308-F311 WeakPolarHBondContact O-CB 3.39Å; T308-F311 PolarHBondContact O-N 2.91Å; T308-F312 WeakPolarHBondContact O-CD2 3.33Å; T308-F312 PolarHBondContact O-N 3.31Å |
| 309 | E | 88.3 | Confident | 88.9 | Confident | 116 Ų | 116 | 115.2 Ų | 115.2 | 54% | 0.542 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.9 | -45.8 | 176.2 | -66.8 | -178.5 | 165.6 | 0 | 0 | 111.8 | D306 F311 F312 A313 | D306-E309 HydrophobicContact CB-CG 4.16Å; D306-E309 WeakPolarHBondContact O-CA 3.48Å; D306-E309 WeakPolarHBondContact O-CB 3.47Å; D306-E309 PolarHBondContact O-N 2.58Å; E309-F311 VanDerWaalsContact C-N 3.32Å; E309-F311 PolarHBondContact O-N 2.93Å; E309-F312 PolarHBondContact O-N 3.22Å; E309-A313 WeakPolarHBondContact O-CB 3.35Å; E309-A313 PolarHBondContact O-N 3.42Å |
| 310 | Y | 89.5 | Confident | 89.2 | Confident | 139 Ų | 139 | 113.7 Ų | 113.7 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.1 | -42.4 | 175.4 | 176.9 | -98.1 | 0 | 0 | 0 | 111.5 | D306 T308 A313 K314 | D306-Y310 PolarHBondContact O-N 3.38Å; T308-Y310 PolarHBondContact O-N 2.88Å; Y310-A313 PolarHBondContact O-N 2.82Å; Y310-K314 HydrophobicContact CE1-CD 3.94Å; Y310-K314 VanDerWaalsContact O-CB 3.27Å; Y310-K314 WeakPolarHBondContact O-CB 3.44Å; Y310-K314 PolarHBondContact O-N 3.08Å |
| 311 | F | 91.8 | Very high | 89.6 | Confident | 131 Ų | 131 | 112.7 Ų | 112.7 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 176.5 | 179.2 | -92.6 | 0 | 0 | 0 | 111.7 | I307 T308 E309 K314 E315 | I307-F311 VanDerWaalsContact O-CB 3.27Å; I307-F311 WeakPolarHBondContact O-CB 3.27Å; I307-F311 PolarHBondContact O-N 3.05Å; T308-F311 WeakPolarHBondContact O-CB 3.39Å; T308-F311 PolarHBondContact O-N 2.91Å; E309-F311 VanDerWaalsContact C-N 3.32Å; E309-F311 PolarHBondContact O-N 2.93Å; F311-K314 PolarHBondContact O-N 3.43Å; F311-E315 PolarHBondContact O-N 3.2Å |
| 312 | F | 92.4 | Very high | 90.1 | Very high | 128 Ų | 128 | 111.9 Ų | 111.9 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 177.5 | -73.1 | -60.4 | 0 | 0 | 0 | 112.5 | T308 E309 K314 E315 K316 | T308-F312 WeakPolarHBondContact O-CD2 3.33Å; T308-F312 PolarHBondContact O-N 3.31Å; E309-F312 PolarHBondContact O-N 3.22Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 3.5Å; F312-E315 PolarHBondContact O-N 2.91Å; F312-K316 WeakPolarHBondContact O-CB 3.27Å; F312-K316 PolarHBondContact O-N 2.95Å |
| 313 | A | 91.3 | Very high | 90.7 | Very high | 61 Ų | 61 | 106.7 Ų | 106.7 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E309 Y310 K316 H317 | E309-A313 WeakPolarHBondContact O-CB 3.35Å; E309-A313 PolarHBondContact O-N 3.42Å; Y310-A313 PolarHBondContact O-N 2.82Å; A313-K316 PolarHBondContact O-N 2.87Å; A313-H317 WeakPolarHBondContact O-CB 3.4Å; A313-H317 PolarHBondContact O-N 3.44Å |
| 314 | K | 94.3 | Very high | 91.5 | Very high | 124 Ų | 124 | 104.5 Ų | 104.5 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 177 | -169.6 | 170 | -173 | 169.7 | 0 | 112.4 | Y310 F311 F312 H317 K318 | Y310-K314 HydrophobicContact CE1-CD 3.94Å; Y310-K314 VanDerWaalsContact O-CB 3.27Å; Y310-K314 WeakPolarHBondContact O-CB 3.44Å; Y310-K314 PolarHBondContact O-N 3.08Å; F311-K314 PolarHBondContact O-N 3.43Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 3.5Å; K314-H317 WeakPolarHBondContact O-CB 3.5Å; K314-H317 PolarHBondContact O-N 2.87Å; K314-K318 PolarHBondContact O-N 3.27Å |
| 315 | E | 94.8 | Very high | 92.4 | Very high | 76 Ų | 76 | 105.9 Ų | 105.9 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 174.8 | -160.2 | -160.5 | 173.9 | 0 | 0 | 111.3 | F311 F312 H317 K318 K319 | F311-E315 PolarHBondContact O-N 3.2Å; F312-E315 PolarHBondContact O-N 2.91Å; E315-H317 VanDerWaalsContact C-N 3.3Å; E315-H317 PolarHBondContact O-N 2.87Å; E315-K318 WeakPolarHBondContact O-CB 3.21Å; E315-K318 PolarHBondContact O-N 3.3Å; E315-K318 VanDerWaalsContact O-N 3.17Å; E315-K319 WeakPolarHBondContact O-CG 3.49Å; E315-K319 PolarHBondContact O-N 3.43Å; E315-K319 WeakPolarHBondContact OE1-CE 3.44Å; E315-K319 IonicContact OE1-NZ 3.21Å; E315-K319 PolarHBondContact OE1-NZ 3.19Å; E315-K319 IonicContact OE2-NZ 3.21Å; E315-K319 PolarHBondContact OE2-NZ 3.26Å |
| 316 | K | 95.6 | Very high | 93.3 | Very high | 146 Ų | 146 | 107.1 Ų | 107.1 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 174.1 | -172.7 | 179.3 | -179.4 | 178.8 | 0 | 111.1 | F312 A313 K318 K319 L320 | F312-K316 WeakPolarHBondContact O-CB 3.27Å; F312-K316 PolarHBondContact O-N 2.95Å; A313-K316 PolarHBondContact O-N 2.87Å; K316-K318 VanDerWaalsContact C-N 3.35Å; K316-K318 PolarHBondContact O-N 3.44Å; K316-K319 PolarHBondContact O-N 2.9Å; K316-L320 HydrophobicContact CG-CD1 4.03Å; K316-L320 WeakPolarHBondContact O-CB 3.5Å; K316-L320 PolarHBondContact O-N 3.34Å |
| 317 | H | 95.8 | Very high | 94 | Very high | 113 Ų | 113 | 111.1 Ų | 111.1 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 175.3 | -176.5 | 70.5 | 0 | 0 | 0 | 111.9 | A313 K314 E315 K319 L320 L321 | A313-H317 WeakPolarHBondContact O-CB 3.4Å; A313-H317 PolarHBondContact O-N 3.44Å; K314-H317 WeakPolarHBondContact O-CB 3.5Å; K314-H317 PolarHBondContact O-N 2.87Å; E315-H317 VanDerWaalsContact C-N 3.3Å; E315-H317 PolarHBondContact O-N 2.87Å; H317-K319 PolarHBondContact O-N 3.48Å; H317-L320 PolarHBondContact O-N 2.96Å; H317-L321 WeakPolarHBondContact O-CG 3.46Å; H317-L321 PolarHBondContact O-N 3.46Å |
| 318 | K | 97 | Very high | 94.4 | Very high | 134 Ų | 134 | 112 Ų | 112 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 175.4 | -173.8 | -177.8 | 176.9 | -176.8 | 0 | 112.2 | K314 E315 K316 L321 Q322 | K314-K318 PolarHBondContact O-N 3.27Å; E315-K318 WeakPolarHBondContact O-CB 3.21Å; E315-K318 PolarHBondContact O-N 3.3Å; E315-K318 VanDerWaalsContact O-N 3.17Å; K316-K318 VanDerWaalsContact C-N 3.35Å; K316-K318 PolarHBondContact O-N 3.44Å; K318-L321 PolarHBondContact O-N 3.45Å; K318-Q322 WeakPolarHBondContact O-CG 3.44Å; K318-Q322 PolarHBondContact O-N 2.92Å |
| 319 | K | 96.6 | Very high | 94.8 | Very high | 112 Ų | 112 | 116.5 Ų | 116.5 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.6 | -72.1 | 172.7 | -177.4 | 162.6 | 0 | 111.5 | E315 K316 H317 Q322 S323 | E315-K319 WeakPolarHBondContact O-CG 3.49Å; E315-K319 PolarHBondContact O-N 3.43Å; E315-K319 WeakPolarHBondContact OE1-CE 3.44Å; E315-K319 IonicContact OE1-NZ 3.21Å; E315-K319 PolarHBondContact OE1-NZ 3.19Å; E315-K319 IonicContact OE2-NZ 3.21Å; E315-K319 PolarHBondContact OE2-NZ 3.26Å; K316-K319 PolarHBondContact O-N 2.9Å; H317-K319 PolarHBondContact O-N 3.48Å; K319-Q322 PolarHBondContact O-N 3.09Å; K319-S323 PolarHBondContact O-N 3.11Å |
| 320 | L | 97.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 115.2 Ų | 115.2 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 174.5 | -83.2 | 153.7 | 0 | 0 | 0 | 111.9 | K316 H317 Q322 S323 I324 | K316-L320 HydrophobicContact CG-CD1 4.03Å; K316-L320 WeakPolarHBondContact O-CB 3.5Å; K316-L320 PolarHBondContact O-N 3.34Å; H317-L320 PolarHBondContact O-N 2.96Å; L320-Q322 VanDerWaalsContact C-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.49Å; L320-S323 WeakPolarHBondContact O-CB 3.25Å; L320-S323 PolarHBondContact O-N 2.92Å; L320-I324 WeakPolarHBondContact O-CG1 3.33Å; L320-I324 PolarHBondContact O-N 3.39Å |
| 321 | L | 96.6 | Very high | 95.5 | Very high | 91 Ų | 91 | 112.2 Ų | 112.2 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 176.3 | -74.9 | 175.7 | 0 | 0 | 0 | 112.5 | H317 K318 I324 H325 | H317-L321 WeakPolarHBondContact O-CG 3.46Å; H317-L321 PolarHBondContact O-N 3.46Å; K318-L321 PolarHBondContact O-N 3.45Å; L321-I324 PolarHBondContact O-N 3.41Å; L321-H325 WeakPolarHBondContact O-CB 3.43Å; L321-H325 PolarHBondContact O-N 3.17Å |
| 322 | Q | 96.3 | Very high | 95.7 | Very high | 115 Ų | 115 | 107.3 Ų | 107.3 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 174.8 | -71.6 | 175 | -18.5 | 0 | 0 | 111.5 | K318 K319 L320 H325 H326 | K318-Q322 WeakPolarHBondContact O-CG 3.44Å; K318-Q322 PolarHBondContact O-N 2.92Å; K319-Q322 PolarHBondContact O-N 3.09Å; L320-Q322 VanDerWaalsContact C-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.49Å; Q322-H325 PolarHBondContact O-N 3.42Å; Q322-H326 WeakPolarHBondContact O-CB 3.41Å; Q322-H326 PolarHBondContact O-N 2.94Å |
| 323 | S | 95.7 | Very high | 95.8 | Very high | 51 Ų | 51 | 105.9 Ų | 105.9 | 36% | 0.357 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | K319 L320 H325 H326 W327 | K319-S323 PolarHBondContact O-N 3.11Å; L320-S323 WeakPolarHBondContact O-CB 3.25Å; L320-S323 PolarHBondContact O-N 2.92Å; S323-H325 VanDerWaalsContact C-N 3.31Å; S323-H325 PolarHBondContact O-N 2.84Å; S323-H326 WeakPolarHBondContact O-CB 3.44Å; S323-H326 PolarHBondContact O-N 3.41Å; S323-H326 VanDerWaalsContact O-N 3.16Å; S323-W327 PolarHBondContact O-N 3.04Å; S323-W327 PolarHBondContact OG-NE1 2.99Å |
| 324 | I | 96.5 | Very high | 96 | Very high | 104 Ų | 104 | 105.8 Ų | 105.8 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 175 | -70.1 | 166.8 | 0 | 0 | 0 | 110.8 | L320 L321 W327 K328 | L320-I324 WeakPolarHBondContact O-CG1 3.33Å; L320-I324 PolarHBondContact O-N 3.39Å; L321-I324 PolarHBondContact O-N 3.41Å; I324-W327 PolarHBondContact O-N 3.26Å; I324-K328 VanDerWaalsContact O-CB 3.26Å; I324-K328 WeakPolarHBondContact O-CB 3.39Å; I324-K328 PolarHBondContact O-N 2.96Å |
| 325 | H | 97 | Very high | 96 | Very high | 125 Ų | 125 | 104.8 Ų | 104.8 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 177.6 | -175.8 | 78 | 0 | 0 | 0 | 112 | L321 Q322 S323 K328 R329 | L321-H325 WeakPolarHBondContact O-CB 3.43Å; L321-H325 PolarHBondContact O-N 3.17Å; Q322-H325 PolarHBondContact O-N 3.42Å; S323-H325 VanDerWaalsContact C-N 3.31Å; S323-H325 PolarHBondContact O-N 2.84Å; H325-K328 PolarHBondContact O-N 3.41Å; H325-R329 PolarHBondContact O-N 3.44Å |
| 326 | H | 96.4 | Very high | 95.9 | Very high | 98 Ų | 98 | 106.6 Ų | 106.6 | 45% | 0.454 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 176.3 | -179.2 | 74.3 | 0 | 0 | 0 | 111.5 | Q322 S323 K328 R329 H330 | Q322-H326 WeakPolarHBondContact O-CB 3.41Å; Q322-H326 PolarHBondContact O-N 2.94Å; S323-H326 WeakPolarHBondContact O-CB 3.44Å; S323-H326 PolarHBondContact O-N 3.41Å; S323-H326 VanDerWaalsContact O-N 3.16Å; H326-K328 VanDerWaalsContact C-N 3.34Å; H326-K328 PolarHBondContact O-N 3.19Å; H326-R329 WeakPolarHBondContact O-CB 3.48Å; H326-R329 PolarHBondContact O-N 3.32Å; H326-R329 VanDerWaalsContact O-N 3.13Å; H326-H330 AromaticContact CD2-CD2 3.55Å; H326-H330 AromaticContact CD2-NE2 3.84Å; H326-H330 AromaticContact CE1-CD2 3.41Å; H326-H330 PolarHBondContact CE1-CD2 3.33Å; H326-H330 VanDerWaalsContact CE1-CD2 3.41Å; H326-H330 AromaticContact CE1-NE2 2.96Å; H326-H330 PolarHBondContact CE1-NE2 2.96Å; H326-H330 AromaticContact CG-CD2 3.87Å; H326-H330 AromaticContact ND1-CD2 3.78Å; H326-H330 AromaticContact ND1-NE2 3.72Å; H326-H330 AromaticContact NE2-CD2 3.26Å; H326-H330 PolarHBondContact NE2-CD2 3.04Å; H326-H330 VanDerWaalsContact NE2-CD2 3.26Å; H326-H330 AromaticContact NE2-NE2 3.04Å; H326-H330 PolarHBondContact NE2-NE2 3.3Å; H326-H330 PolarHBondContact O-CD2 2.9Å; H326-H330 VanDerWaalsContact O-CD2 3.28Å; H326-H330 PolarHBondContact O-N 3.16Å |
| 327 | W | 96.9 | Very high | 95.7 | Very high | 164 Ų | 164 | 102.4 Ų | 102.4 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 175.3 | -77 | 114.2 | 0 | 0 | 0 | 112.3 | S323 I324 R329 H330 V331 | S323-W327 PolarHBondContact O-N 3.04Å; S323-W327 PolarHBondContact OG-NE1 2.99Å; I324-W327 PolarHBondContact O-N 3.26Å; W327-R329 VanDerWaalsContact C-N 3.28Å; W327-R329 PolarHBondContact O-N 2.88Å; W327-H330 PolarHBondContact O-N 3.26Å; W327-H330 VanDerWaalsContact O-N 3.15Å; W327-V331 WeakPolarHBondContact O-CG2 3.35Å; W327-V331 PolarHBondContact O-N 3.15Å |
| 328 | K | 95.6 | Very high | 95.5 | Very high | 158 Ų | 158 | 102.5 Ų | 102.5 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.3 | -38.9 | 175.3 | -170.7 | 172.2 | -175.6 | 174 | 0 | 111.8 | I324 H325 H326 G332 | I324-K328 VanDerWaalsContact O-CB 3.26Å; I324-K328 WeakPolarHBondContact O-CB 3.39Å; I324-K328 PolarHBondContact O-N 2.96Å; H325-K328 PolarHBondContact O-N 3.41Å; H326-K328 VanDerWaalsContact C-N 3.34Å; H326-K328 PolarHBondContact O-N 3.19Å; K328-G332 PolarHBondContact O-N 3.43Å |
| 329 | R | 96.4 | Very high | 95.3 | Very high | 167 Ų | 167 | 102 Ų | 102 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 173.3 | -172 | -179 | -171.9 | 128.4 | 0.1 | 111.8 | H325 H326 W327 G332 I333 | H325-R329 PolarHBondContact O-N 3.44Å; H326-R329 WeakPolarHBondContact O-CB 3.48Å; H326-R329 PolarHBondContact O-N 3.32Å; H326-R329 VanDerWaalsContact O-N 3.13Å; W327-R329 VanDerWaalsContact C-N 3.28Å; W327-R329 PolarHBondContact O-N 2.88Å; R329-G332 PolarHBondContact O-N 3.36Å; R329-I333 HydrophobicContact CG-CD1 4.12Å; R329-I333 WeakPolarHBondContact O-CG1 3.41Å; R329-I333 PolarHBondContact O-N 3.44Å |
| 330 | H | 96.2 | Very high | 95 | Very high | 89 Ų | 89 | 100.8 Ų | 100.8 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 177.1 | -87.4 | -75 | 0 | 0 | 0 | 112.3 | H326 W327 G332 I333 A334 | H326-H330 AromaticContact CD2-CD2 3.55Å; H326-H330 AromaticContact CD2-NE2 3.84Å; H326-H330 AromaticContact CE1-CD2 3.41Å; H326-H330 PolarHBondContact CE1-CD2 3.33Å; H326-H330 VanDerWaalsContact CE1-CD2 3.41Å; H326-H330 AromaticContact CE1-NE2 2.96Å; H326-H330 PolarHBondContact CE1-NE2 2.96Å; H326-H330 AromaticContact CG-CD2 3.87Å; H326-H330 AromaticContact ND1-CD2 3.78Å; H326-H330 AromaticContact ND1-NE2 3.72Å; H326-H330 AromaticContact NE2-CD2 3.26Å; H326-H330 PolarHBondContact NE2-CD2 3.04Å; H326-H330 VanDerWaalsContact NE2-CD2 3.26Å; H326-H330 AromaticContact NE2-NE2 3.04Å; H326-H330 PolarHBondContact NE2-NE2 3.3Å; H326-H330 PolarHBondContact O-CD2 2.9Å; H326-H330 VanDerWaalsContact O-CD2 3.28Å; H326-H330 PolarHBondContact O-N 3.16Å; W327-H330 PolarHBondContact O-N 3.26Å; W327-H330 VanDerWaalsContact O-N 3.15Å; H330-G332 VanDerWaalsContact C-N 3.35Å; H330-I333 PolarHBondContact O-N 2.93Å; H330-A334 WeakPolarHBondContact O-CB 3.37Å; H330-A334 PolarHBondContact O-N 3.28Å |
| 331 | V | 96.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 102.3 Ų | 102.3 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | W327 I333 A334 E335 | W327-V331 WeakPolarHBondContact O-CG2 3.35Å; W327-V331 PolarHBondContact O-N 3.15Å; V331-I333 PolarHBondContact O-N 2.83Å; V331-A334 PolarHBondContact O-N 3.31Å; V331-E335 HydrophobicContact CG1-CG 4.28Å; V331-E335 WeakPolarHBondContact O-CB 3.26Å; V331-E335 WeakPolarHBondContact O-CG 3.43Å; V331-E335 PolarHBondContact O-N 3.13Å |
| 332 | G | 95.4 | Very high | 94.1 | Very high | 28 Ų | 28 | 100.1 Ų | 100.1 | 29% | 0.289 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K328 R329 H330 M336 | K328-G332 PolarHBondContact O-N 3.43Å; R329-G332 PolarHBondContact O-N 3.36Å; H330-G332 VanDerWaalsContact C-N 3.35Å; G332-M336 WeakPolarHBondContact O-CB 3.36Å; G332-M336 VanDerWaalsContact O-CG 3.24Å; G332-M336 WeakPolarHBondContact O-CG 3.35Å; G332-M336 PolarHBondContact O-N 2.84Å |
| 333 | I | 94.6 | Very high | 93.7 | Very high | 98 Ų | 98 | 102.9 Ų | 102.9 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 174.7 | -67.3 | 166.2 | 0 | 0 | 0 | 110.4 | R329 H330 V331 E335 M336 A337 | R329-I333 HydrophobicContact CG-CD1 4.12Å; R329-I333 WeakPolarHBondContact O-CG1 3.41Å; R329-I333 PolarHBondContact O-N 3.44Å; H330-I333 PolarHBondContact O-N 2.93Å; V331-I333 PolarHBondContact O-N 2.83Å; I333-E335 PolarHBondContact O-N 2.96Å; I333-M336 PolarHBondContact O-N 3.36Å; I333-A337 WeakPolarHBondContact O-CB 3.24Å; I333-A337 PolarHBondContact O-N 2.85Å |
| 334 | A | 94.6 | Very high | 93.2 | Very high | 59 Ų | 59 | 104.9 Ų | 104.9 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | H330 V331 A337 L338 | H330-A334 WeakPolarHBondContact O-CB 3.37Å; H330-A334 PolarHBondContact O-N 3.28Å; V331-A334 PolarHBondContact O-N 3.31Å; A334-A337 PolarHBondContact O-N 2.84Å; A334-L338 VanDerWaalsContact O-CB 3.31Å; A334-L338 WeakPolarHBondContact O-CB 3.46Å; A334-L338 PolarHBondContact O-N 2.87Å |
| 335 | E | 94.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 106.3 Ų | 106.3 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 174.3 | -75.7 | -179.6 | -176.1 | 0 | 0 | 112 | V331 I333 L338 K339 | V331-E335 HydrophobicContact CG1-CG 4.28Å; V331-E335 WeakPolarHBondContact O-CB 3.26Å; V331-E335 WeakPolarHBondContact O-CG 3.43Å; V331-E335 PolarHBondContact O-N 3.13Å; I333-E335 PolarHBondContact O-N 2.96Å; E335-L338 PolarHBondContact O-N 2.99Å; E335-K339 WeakPolarHBondContact O-CB 3.45Å; E335-K339 VanDerWaalsContact O-CG 3.31Å; E335-K339 WeakPolarHBondContact O-CG 3.31Å; E335-K339 PolarHBondContact O-N 2.91Å |
| 336 | M | 92.6 | Very high | 91.6 | Very high | 115 Ų | 115 | 108.2 Ų | 108.2 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.4 | -40.5 | 177.5 | -73.5 | -63.1 | -68.3 | 0 | 0 | 112.1 | G332 I333 K339 T340 | G332-M336 WeakPolarHBondContact O-CB 3.36Å; G332-M336 VanDerWaalsContact O-CG 3.24Å; G332-M336 WeakPolarHBondContact O-CG 3.35Å; G332-M336 PolarHBondContact O-N 2.84Å; I333-M336 PolarHBondContact O-N 3.36Å; M336-K339 PolarHBondContact O-N 3.36Å; M336-K339 HydrophobicContact SD-CD 4.37Å; M336-T340 WeakPolarHBondContact O-CB 3.42Å; M336-T340 PolarHBondContact O-N 3.19Å; M336-T340 PolarHBondContact O-OG1 2.81Å |
| 337 | A | 92.5 | Very high | 90.7 | Very high | 58 Ų | 58 | 112.4 Ų | 112.4 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I333 A334 K339 T340 H341 | I333-A337 WeakPolarHBondContact O-CB 3.24Å; I333-A337 PolarHBondContact O-N 2.85Å; A334-A337 PolarHBondContact O-N 2.84Å; A337-K339 PolarHBondContact O-N 3.27Å; A337-T340 PolarHBondContact O-N 3.5Å; A337-H341 WeakPolarHBondContact O-CB 3.31Å; A337-H341 PolarHBondContact O-N 3.39Å |
| 338 | L | 91.4 | Very high | 89.6 | Confident | 114 Ų | 114 | 109 Ų | 109 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 175.8 | -179.4 | 65 | 0 | 0 | 0 | 111.9 | A334 E335 T340 S342 | A334-L338 VanDerWaalsContact O-CB 3.31Å; A334-L338 WeakPolarHBondContact O-CB 3.46Å; A334-L338 PolarHBondContact O-N 2.87Å; E335-L338 PolarHBondContact O-N 2.99Å; L338-T340 VanDerWaalsContact C-N 3.3Å; L338-T340 PolarHBondContact O-N 3.2Å; L338-S342 VanDerWaalsContact O-CB 3.25Å; L338-S342 WeakPolarHBondContact O-CB 3.39Å; L338-S342 PolarHBondContact O-N 2.97Å; L338-S342 PolarHBondContact O-OG 2.84Å |
| 339 | K | 92.9 | Very high | 88.1 | Confident | 123 Ų | 123 | 109.2 Ų | 109.2 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 174.5 | -79.4 | 173.9 | -177.2 | 169.5 | 0 | 111.3 | E335 M336 A337 S342 R343 | E335-K339 WeakPolarHBondContact O-CB 3.45Å; E335-K339 VanDerWaalsContact O-CG 3.31Å; E335-K339 WeakPolarHBondContact O-CG 3.31Å; E335-K339 PolarHBondContact O-N 2.91Å; M336-K339 PolarHBondContact O-N 3.36Å; M336-K339 HydrophobicContact SD-CD 4.37Å; A337-K339 PolarHBondContact O-N 3.27Å; K339-S342 PolarHBondContact O-N 3.45Å; K339-R343 VanDerWaalsContact O-CG 3.3Å; K339-R343 WeakPolarHBondContact O-CG 3.25Å; K339-R343 PolarHBondContact O-N 3.4Å |
| 340 | T | 90.8 | Very high | 86.2 | Confident | 87 Ų | 87 | 103.9 Ų | 103.9 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -50.2 | 179.6 | -55 | 0 | 0 | 0 | 0 | 111 | M336 A337 L338 S342 R343 E344 | M336-T340 WeakPolarHBondContact O-CB 3.42Å; M336-T340 PolarHBondContact O-N 3.19Å; M336-T340 PolarHBondContact O-OG1 2.81Å; A337-T340 PolarHBondContact O-N 3.5Å; L338-T340 VanDerWaalsContact C-N 3.3Å; L338-T340 PolarHBondContact O-N 3.2Å; T340-S342 VanDerWaalsContact C-N 3.29Å; T340-S342 PolarHBondContact O-N 3.19Å; T340-R343 WeakPolarHBondContact O-CB 3.2Å; T340-R343 PolarHBondContact O-N 2.87Å; T340-E344 PolarHBondContact O-N 3.44Å |
| 341 | H | 87.1 | Confident | 84.4 | Confident | 126 Ų | 126 | 105 Ų | 105 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.4 | -40.7 | 174.2 | -174.9 | -89.2 | 0 | 0 | 0 | 111.9 | A337 R343 E344 W345 | A337-H341 WeakPolarHBondContact O-CB 3.31Å; A337-H341 PolarHBondContact O-N 3.39Å; H341-R343 VanDerWaalsContact C-N 3.34Å; H341-R343 PolarHBondContact O-N 2.75Å; H341-E344 PolarHBondContact O-N 2.85Å; H341-W345 WeakPolarHBondContact O-CB 3.47Å; H341-W345 PolarHBondContact O-N 2.86Å |
| 342 | S | 87.1 | Confident | 82.2 | Confident | 44 Ų | 44 | 108.6 Ų | 108.6 | 31% | 0.308 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -31.9 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 113.2 | L338 K339 T340 R346 | L338-S342 VanDerWaalsContact O-CB 3.25Å; L338-S342 WeakPolarHBondContact O-CB 3.39Å; L338-S342 PolarHBondContact O-N 2.97Å; L338-S342 PolarHBondContact O-OG 2.84Å; K339-S342 PolarHBondContact O-N 3.45Å; T340-S342 VanDerWaalsContact C-N 3.29Å; T340-S342 PolarHBondContact O-N 3.19Å; S342-R346 WeakPolarHBondContact O-CB 3.4Å; S342-R346 WeakPolarHBondContact O-CG 3.48Å; S342-R346 PolarHBondContact O-N 3.35Å; S342-R346 PolarHBondContact O-NE 3.49Å |
| 343 | R | 87.8 | Confident | 79.5 | Confident | 173 Ų | 173 | 112.8 Ų | 112.8 | 65% | 0.653 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.4 | -43.6 | 173.3 | -72.7 | 173 | 87.9 | -174.4 | 6.9 | 111.1 | K339 T340 H341 R346 R347 | K339-R343 VanDerWaalsContact O-CG 3.3Å; K339-R343 WeakPolarHBondContact O-CG 3.25Å; K339-R343 PolarHBondContact O-N 3.4Å; T340-R343 WeakPolarHBondContact O-CB 3.2Å; T340-R343 PolarHBondContact O-N 2.87Å; H341-R343 VanDerWaalsContact C-N 3.34Å; H341-R343 PolarHBondContact O-N 2.75Å; R343-R346 PolarHBondContact O-N 2.91Å; R343-R347 PolarHBondContact O-N 3.44Å |
| 344 | E | 84.2 | Confident | 77.1 | Confident | 93 Ų | 93 | 113.9 Ų | 113.9 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -46.6 | 177.4 | -170.9 | 54.4 | -143.6 | 0 | 0 | 111.5 | T340 H341 R346 R347 Q348 | T340-E344 PolarHBondContact O-N 3.44Å; H341-E344 PolarHBondContact O-N 2.85Å; E344-R346 VanDerWaalsContact C-N 3.28Å; E344-R346 PolarHBondContact O-N 2.76Å; E344-R347 WeakPolarHBondContact O-CA 3.3Å; E344-R347 WeakPolarHBondContact O-CB 3.38Å; E344-R347 PolarHBondContact O-N 2.93Å; E344-Q348 PolarHBondContact O-N 3.42Å; E344-Q348 PolarHBondContact OE1-NE2 2.94Å |
| 345 | W | 78.9 | Confident | 74.3 | Confident | 134 Ų | 134 | 116.1 Ų | 116.1 | 51% | 0.508 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -57.6 | -38 | 173.7 | -176.8 | -121.5 | 0 | 0 | 0 | 112.9 | H341 R349 | H341-W345 WeakPolarHBondContact O-CB 3.47Å; H341-W345 PolarHBondContact O-N 2.86Å; W345-R349 WeakPolarHBondContact O-CB 3.4Å; W345-R349 PolarHBondContact O-N 3.32Å |
| 346 | R | 81.2 | Confident | 71.6 | Confident | 165 Ų | 165 | 118.3 Ų | 118.3 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.7 | -36.2 | 173.5 | -81.3 | -176.5 | -70.7 | -150.9 | 1.3 | 112.6 | S342 R343 E344 G350 | S342-R346 WeakPolarHBondContact O-CB 3.4Å; S342-R346 WeakPolarHBondContact O-CG 3.48Å; S342-R346 PolarHBondContact O-N 3.35Å; S342-R346 PolarHBondContact O-NE 3.49Å; R343-R346 PolarHBondContact O-N 2.91Å; E344-R346 VanDerWaalsContact C-N 3.28Å; E344-R346 PolarHBondContact O-N 2.76Å; R346-G350 PolarHBondContact O-N 3Å; R346-G350 VanDerWaalsContact O-N 3.14Å |
| 347 | R | 78.3 | Confident | 69 | Low | 186 Ų | 186 | 118.7 Ų | 118.7 | 70% | 0.702 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.8 | -45.3 | 174.5 | -79.8 | -179.5 | 178.8 | -108.8 | -0.1 | 112 | R343 E344 G350 T351 | R343-R347 PolarHBondContact O-N 3.44Å; E344-R347 WeakPolarHBondContact O-CA 3.3Å; E344-R347 WeakPolarHBondContact O-CB 3.38Å; E344-R347 PolarHBondContact O-N 2.93Å; R347-G350 PolarHBondContact O-N 3.05Å; R347-G350 VanDerWaalsContact O-N 3.16Å; R347-T351 PolarHBondContact O-N 3.02Å; R347-T351 PolarHBondContact O-OG1 3.33Å |
| 348 | Q | 73.6 | Confident | 66.5 | Low | 93 Ų | 93 | 120.2 Ų | 120.2 | 44% | 0.435 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.1 | -37.7 | 178.2 | -68.6 | 178.6 | 12.2 | 0 | 0 | 112.3 | E344 G350 T351 | E344-Q348 PolarHBondContact O-N 3.42Å; E344-Q348 PolarHBondContact OE1-NE2 2.94Å; Q348-G350 VanDerWaalsContact C-N 3.3Å; Q348-G350 PolarHBondContact O-N 3.49Å; Q348-T351 WeakPolarHBondContact CA-OG1 3.36Å; Q348-T351 PolarHBondContact O-N 2.81Å; Q348-T351 PolarHBondContact O-OG1 3.02Å |
| 349 | R | 63.6 | Low | 63.9 | Low | 162 Ų | 162 | 123.6 Ų | 123.6 | 61% | 0.611 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.6 | -31.2 | 173.5 | -155.8 | -170.7 | -57.4 | -161.2 | 5.2 | 112.8 | W345 T351 | W345-R349 WeakPolarHBondContact O-CB 3.4Å; W345-R349 PolarHBondContact O-N 3.32Å; R349-T351 VanDerWaalsContact C-N 3.3Å |
| 350 | G | 57.9 | Low | 61.2 | Low | 55 Ų | 55 | 122.8 Ų | 122.8 | 57% | 0.567 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.5 | -15 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R346 R347 Q348 | R346-G350 PolarHBondContact O-N 3Å; R346-G350 VanDerWaalsContact O-N 3.14Å; R347-G350 PolarHBondContact O-N 3.05Å; R347-G350 VanDerWaalsContact O-N 3.16Å; Q348-G350 VanDerWaalsContact C-N 3.3Å; Q348-G350 PolarHBondContact O-N 3.49Å |
| 351 | T | 57.1 | Low | 58.5 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -3.8 | -179.4 | 14 | 0 | 0 | 0 | 0 | 113.9 | R347 Q348 R349 | R347-T351 PolarHBondContact O-N 3.02Å; R347-T351 PolarHBondContact O-OG1 3.33Å; Q348-T351 WeakPolarHBondContact CA-OG1 3.36Å; Q348-T351 PolarHBondContact O-N 2.81Å; Q348-T351 PolarHBondContact O-OG1 3.02Å; R349-T351 VanDerWaalsContact C-N 3.3Å |
| 352 | L | 50.1 | Low | 56.4 | Low | 150 Ų | 150 | 121.3 Ų | 121.3 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -110.8 | 27.1 | 179.2 | -73.8 | 172.5 | 0 | 0 | 0 | 114.3 | ||
| 353 | T | 39.9 | Very low | 54.1 | Low | 117 Ų | 117 | 130.1 Ų | 130.1 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | trans | -119.2 | 105.8 | 171.3 | 19.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 354 | P | 43.3 | Very low | 52.1 | Low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -88.6 | 139.3 | 146.8 | -1 | 20.6 | 0 | 0 | 0 | 110.1 | ||||
| 355 | S | 36.8 | Very low | 49.8 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -49.1 | 130.9 | 172.7 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 356 | N | 36.3 | Very low | 48 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | 165.1 | 150.9 | 116.2 | -82.4 | -21.4 | 0 | 0 | 0 | 112.8 | |||||
| 357 | S | 38.6 | Very low | 46.3 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | 93.3 | 133.1 | 154.1 | -5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 358 | A | 39.8 | Very low | 44.7 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -62.9 | 169.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 359 | E | 36.6 | Very low | 43.4 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | 86.4 | 122.1 | 151.1 | -80.7 | 177.9 | -176.5 | 0 | 0 | 121.6 | ||||
| 360 | A | 36.4 | Very low | 42.3 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | 69.7 | 130.6 | 137.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 361 | G | 33.8 | Very low | 41.7 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 116.6 | 98.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 362 | S | 42.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 10.9 | 126.9 | 136.6 | -161.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 363 | R | 39.7 | Very low | 41.2 | Very low | 229 Ų | 229 | 139.9 Ų | 139.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | 160.7 | 138.3 | 109.3 | -85.2 | -173.1 | -161.5 | -149.5 | 2.9 | 112.9 | |||||
| 364 | Y | 45.3 | Very low | 41.3 | Very low | 238 Ų | 238 | 139.6 Ų | 139.6 | 93% | 0.933 | 80% | 0.796 | S | S | * | * | trans | 3.8 | 131.8 | 146.5 | -84.2 | -98.9 | 0 | 0 | 0 | 119.5 | ||||
| 365 | G | 36.7 | Very low | 41.3 | Very low | 68 Ų | 68 | 142.6 Ų | 142.6 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | 176.3 | 84.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P367 | G365-P367 VanDerWaalsContact O-CD 3.25Å; G365-P367 WeakPolarHBondContact O-CD 3.48Å | ||
| 366 | N | 41.3 | Very low | 41.5 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 114.1 | 175.6 | -161.1 | 1.9 | 0 | 0 | 0 | 109.4 | R368 | N366-R368 PolarHBondContact O-N 3.28Š| ||
| 367 | P | 46.1 | Very low | 41.7 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | -79.5 | 106 | 177 | -6.7 | 25.1 | 0 | 0 | 0 | 108.9 | G365 I369 | G365-P367 VanDerWaalsContact O-CD 3.25Å; G365-P367 WeakPolarHBondContact O-CD 3.48Å; P367-I369 PolarHBondContact O-N 3.22Å; P367-I369 VanDerWaalsContact O-N 3.11Å | ||
| 368 | R | 43.7 | Very low | 42.1 | Very low | 235 Ų | 235 | 144.3 Ų | 144.3 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -58.1 | 110.5 | 165.2 | -78.1 | -176.5 | 171.5 | -155.3 | -1.8 | 108.8 | N366 | N366-R368 PolarHBondContact O-N 3.28Š| ||
| 369 | I | 45.9 | Very low | 42.2 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -91.1 | 106.7 | 165.1 | -59.3 | 173.7 | 0 | 0 | 0 | 107 | P367 V371 | P367-I369 PolarHBondContact O-N 3.22Å; P367-I369 VanDerWaalsContact O-N 3.11Å; I369-V371 HydrophobicContact CG2-CG2 4.16Å; I369-V371 PolarHBondContact O-N 3.29Å; I369-V371 VanDerWaalsContact O-N 3.09Å | ||
| 370 | S | 42 | Very low | 42.2 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -72.1 | 92.8 | 174.9 | -41.9 | 0 | 0 | 0 | 0 | 109.6 | K372 | S370-K372 PolarHBondContact O-N 3.17Š| ||
| 371 | V | 44.5 | Very low | 42.3 | Very low | 108 Ų | 108 | 146 Ų | 146 | 66% | 0.655 | 80% | 0.795 | S | S | * | * | trans | -84.3 | 109.1 | 168.6 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | I369 L373 | I369-V371 HydrophobicContact CG2-CG2 4.16Å; I369-V371 PolarHBondContact O-N 3.29Å; I369-V371 VanDerWaalsContact O-N 3.09Å; V371-L373 HydrophobicContact CG1-CG 4.48Å; V371-L373 PolarHBondContact O-N 3.16Å | ||
| 372 | K | 46.9 | Very low | 42.6 | Very low | 207 Ų | 207 | 150 Ų | 150 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | trans | -71.5 | 104.8 | 165.4 | -83.9 | -176.1 | 175 | -178.1 | 0 | 108.1 | S370 | S370-K372 PolarHBondContact O-N 3.17Š| ||
| 373 | L | 50 | Low | 42.5 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77 | 142.1 | 167.2 | -71.6 | 162.8 | 0 | 0 | 0 | 109.5 | V371 | V371-L373 HydrophobicContact CG1-CG 4.48Å; V371-L373 PolarHBondContact O-N 3.16Å |
| 374 | P | 40.7 | Very low | 42.4 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 142.9 | 171.3 | 26.2 | -30.4 | 0 | 0 | 0 | 111.2 | I376 | P374-I376 PolarHBondContact O-N 3.23Š|
| 375 | H | 43.3 | Very low | 42.1 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 116.5 | -179.6 | -163.8 | -49.7 | 0 | 0 | 0 | 110.4 | ||
| 376 | I | 42.6 | Very low | 42.6 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 118.6 | 167.1 | -60.8 | 173.5 | 0 | 0 | 0 | 105.4 | P374 E378 | P374-I376 PolarHBondContact O-N 3.23Å; I376-E378 PolarHBondContact O-N 3.44Å |
| 377 | A | 40.1 | Very low | 42.4 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | D379 | A377-D379 PolarHBondContact O-N 2.82Š|
| 378 | E | 47.1 | Very low | 42.1 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -80.2 | 104.1 | 169.9 | -69.9 | 174.9 | 164.2 | 0 | 0 | 108.3 | I376 | I376-E378 PolarHBondContact O-N 3.44Š| ||
| 379 | D | 41.1 | Very low | 42.1 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -135.2 | 90.6 | 159.7 | -87.1 | -31.2 | 0 | 0 | 0 | 107.8 | A377 | A377-D379 PolarHBondContact O-N 2.82Š| ||
| 380 | C | 38 | Very low | 42.1 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -159.5 | 77.5 | 160.2 | -101.3 | 0 | 0 | 0 | 0 | 108.4 | L382 | C380-L382 PolarHBondContact O-N 3.16Å; C380-L382 VanDerWaalsContact O-N 3.1Å | ||
| 381 | T | 37.6 | Very low | 42.2 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -59.9 | 102.5 | 160 | 34.3 | 0 | 0 | 0 | 0 | 109.5 | H383 | T381-H383 PolarHBondContact O-N 3.27Š| ||
| 382 | L | 40.8 | Very low | 42.1 | Very low | 158 Ų | 158 | 154.2 Ų | 154.2 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | trans | -83.3 | 103.3 | 160.7 | -85.3 | 167.1 | 0 | 0 | 0 | 108.3 | C380 I384 | C380-L382 PolarHBondContact O-N 3.16Å; C380-L382 VanDerWaalsContact O-N 3.1Å; L382-I384 PolarHBondContact O-N 3.04Å | ||
| 383 | H | 38.5 | Very low | 41.9 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -62 | 108.6 | 159.8 | -96.2 | -70.5 | 0 | 0 | 0 | 108.6 | T381 A385 | T381-H383 PolarHBondContact O-N 3.27Å; H383-A385 PolarHBondContact O-N 3.14Å | ||
| 384 | I | 38 | Very low | 41.5 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | -82 | 104.6 | 160.9 | -60.6 | 174.8 | 0 | 0 | 0 | 105.5 | L382 E386 | L382-I384 PolarHBondContact O-N 3.04Å; I384-E386 HydrophobicContact CG2-CG 4.4Å | ||
| 385 | A | 39.5 | Very low | 41.5 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -89.2 | 103.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | H383 | H383-A385 PolarHBondContact O-N 3.14Š| ||
| 386 | E | 46.2 | Very low | 41.4 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -69 | 118.5 | 153.9 | -70.3 | 177.9 | 149.7 | 0 | 0 | 107 | I384 | I384-E386 HydrophobicContact CG2-CG 4.4Š| ||
| 387 | D | 38.7 | Very low | 41.3 | Very low | 153 Ų | 153 | 152.4 Ų | 152.4 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -168.2 | 105.7 | 153.8 | -97.4 | -24 | 0 | 0 | 0 | 109.9 | ||||
| 388 | C | 38.6 | Very low | 41.4 | Very low | 137 Ų | 137 | 157.4 Ų | 157.4 | 93% | 0.926 | 85% | 0.85 | S | S | * | * | trans | -167.2 | 76.1 | 149 | -99.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 389 | T | 43.7 | Very low | 41 | Very low | 126 Ų | 126 | 155.3 Ų | 155.3 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | trans | -106 | 121.8 | 145.7 | 41.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 390 | L | 46 | Very low | 41 | Very low | 163 Ų | 163 | 155.5 Ų | 155.5 | 85% | 0.853 | 85% | 0.851 | S | S | * | * | trans | 173.4 | 127.9 | 136.7 | -96.8 | 148.8 | 0 | 0 | 0 | 112.5 | ||||
| 391 | D | 45.2 | Very low | 41.3 | Very low | 144 Ų | 144 | 158.2 Ų | 158.2 | 77% | 0.77 | 85% | 0.852 | S | S | * | * | trans | -20.1 | 131.6 | 156.6 | -66 | -46.8 | 0 | 0 | 0 | 117.9 | ||||
| 392 | K | 42.4 | Very low | 41.6 | Very low | 279 Ų | 279 | 159.7 Ų | 159.7 | 100% | 1.213 | 85% | 0.851 | S | S | * | * | -174.6 | 0 | 110.3 | -100 | 176.2 | -175.4 | 177.6 | 0 | 112.7 |
Retrieved 392 of 392 residues in 451.4 ms
(Link to these results)