| 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 | 37 | Very low | 46.7 | Very low | 222 Ų | 222 | 174.3 Ų | 174.3 | 100% | 1.094 | 84% | 0.844 | S | S | * | * | 0 | 113.6 | 0 | -65.3 | -162.7 | 179 | 0 | 0 | 107.9 | |||||
| 2 | H | 38.3 | Very low | 47.4 | Very low | 192 Ų | 192 | 168.5 Ų | 168.5 | 89% | 0.889 | 82% | 0.82 | S | S | * | * | trans | -100.2 | 121.1 | -177.8 | -70.2 | -54.4 | 0 | 0 | 0 | 110.2 | V4 | H2-V4 PolarHBondContact O-N 3.47Š| ||
| 3 | H | 39.7 | Very low | 48.2 | Very low | 179 Ų | 179 | 167.4 Ų | 167.4 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -76.9 | 111.4 | 178.1 | -66.6 | -91.1 | 0 | 0 | 0 | 110.1 | ||||
| 4 | V | 42.9 | Very low | 48.8 | Very low | 128 Ų | 128 | 166.1 Ų | 166.1 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -85 | 112.5 | 170.8 | 178 | 0 | 0 | 0 | 0 | 108.2 | H2 I6 | H2-V4 PolarHBondContact O-N 3.47Å; V4-I6 PolarHBondContact O-N 3.37Å | ||
| 5 | K | 46.3 | Very low | 49.4 | Very low | 201 Ų | 201 | 160.1 Ų | 160.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 105.4 | 172.2 | -70.4 | -179.4 | 178.6 | 178.6 | 0 | 108.8 | K7 | K5-K7 PolarHBondContact O-N 3.02Š| ||
| 6 | I | 52.4 | Low | 50.5 | Low | 148 Ų | 148 | 156.3 Ų | 156.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -74.9 | 118.6 | 171.5 | -61.2 | 169.9 | 0 | 0 | 0 | 107.4 | V4 T8 | V4-I6 PolarHBondContact O-N 3.37Å; I6-T8 PolarHBondContact O-N 3.07Å | ||
| 7 | K | 47.8 | Very low | 52 | Low | 205 Ų | 205 | 148.8 Ų | 148.8 | 89% | 0.891 | 75% | 0.753 | S | S | * | * | trans | -82.9 | 102.8 | 174.4 | -167.2 | 155.3 | -179.9 | 174.8 | 0 | 107.8 | K5 E9 | K5-K7 PolarHBondContact O-N 3.02Å; K7-E9 PolarHBondContact O-N 3.44Å | ||
| 8 | T | 51.3 | Low | 53.4 | Low | 126 Ų | 126 | 143.1 Ų | 143.1 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 116.8 | 176.1 | -37.7 | 0 | 0 | 0 | 0 | 109 | I6 | I6-T8 PolarHBondContact O-N 3.07Š|
| 9 | E | 51.8 | Low | 54.8 | Low | 179 Ų | 179 | 145.2 Ų | 145.2 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 140.8 | 172.9 | -164.9 | 176.5 | -169.9 | 0 | 0 | 109.7 | K7 | K7-E9 PolarHBondContact O-N 3.44Š|
| 10 | R | 52.9 | Low | 56.5 | Low | 230 Ų | 230 | 140 Ų | 140 | 87% | 0.868 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -65 | 133.8 | 176.6 | -85.1 | -174.3 | 172 | 164.4 | -2.6 | 109.1 | D12 | R10-D12 PolarHBondContact O-N 2.91Š|
| 11 | P | 53.7 | Low | 58.1 | Low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123 | 173.6 | 26.9 | -32 | 0 | 0 | 0 | 109.2 | L13 | P11-L13 PolarHBondContact O-N 3.01Å; P11-L13 VanDerWaalsContact O-N 3.09Å |
| 12 | D | 54.7 | Low | 60.5 | Low | 105 Ų | 105 | 135.1 Ų | 135.1 | 56% | 0.561 | 68% | 0.682 | S | S | * | * | trans | -65.2 | 106.1 | 176.8 | -165.3 | 1.2 | 0 | 0 | 0 | 109.3 | R10 E14 S15 T16 | R10-D12 PolarHBondContact O-N 2.91Å; D12-E14 PolarHBondContact O-N 3.04Å; D12-E14 VanDerWaalsContact O-N 3.13Å; D12-S15 PolarHBondContact O-N 2.88Å; D12-S15 VanDerWaalsContact O-N 3.15Å; D12-T16 PolarHBondContact O-N 3.22Å | ||
| 13 | L | 57.7 | Low | 63 | Low | 154 Ų | 154 | 129.8 Ų | 129.8 | 81% | 0.806 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -56.7 | -29.7 | -176.3 | -121.8 | 97.5 | 0 | 0 | 0 | 111.3 | P11 G17 | P11-L13 PolarHBondContact O-N 3.01Å; P11-L13 VanDerWaalsContact O-N 3.09Å; L13-G17 PolarHBondContact O-N 2.98Å |
| 14 | E | 57.3 | Low | 65.4 | Low | 149 Ų | 149 | 124.3 Ų | 124.3 | 70% | 0.696 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.8 | -37.4 | -177.8 | -138 | 172.6 | -167.7 | 0 | 0 | 112.2 | D12 G17 A18 | D12-E14 PolarHBondContact O-N 3.04Å; D12-E14 VanDerWaalsContact O-N 3.13Å; E14-G17 PolarHBondContact O-N 3.29Å; E14-A18 WeakPolarHBondContact O-CB 3.25Å; E14-A18 PolarHBondContact O-N 2.91Å |
| 15 | S | 57 | Low | 67.8 | Low | 77 Ų | 77 | 123.1 Ų | 123.1 | 54% | 0.538 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.5 | -36.4 | 177 | -166.7 | 0 | 0 | 0 | 0 | 112 | D12 A18 R19 | D12-S15 PolarHBondContact O-N 2.88Å; D12-S15 VanDerWaalsContact O-N 3.15Å; S15-A18 PolarHBondContact O-N 2.77Å; S15-R19 WeakPolarHBondContact O-CB 3.24Å; S15-R19 PolarHBondContact O-N 3.17Å; S15-R19 VanDerWaalsContact O-N 3.1Å |
| 16 | T | 67.3 | Low | 69.9 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 60% | 0.601 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.9 | -40 | 175.9 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | D12 R19 G20 | D12-T16 PolarHBondContact O-N 3.22Å; T16-R19 PolarHBondContact O-N 3.18Å; T16-G20 PolarHBondContact O-N 2.96Å; T16-G20 VanDerWaalsContact O-N 3.09Å |
| 17 | G | 76.8 | Confident | 71.6 | Confident | 30 Ų | 30 | 117.3 Ų | 117.3 | 31% | 0.309 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.7 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L13 E14 R19 G20 R21 | L13-G17 PolarHBondContact O-N 2.98Å; E14-G17 PolarHBondContact O-N 3.29Å; G17-R19 VanDerWaalsContact C-N 3.34Å; G17-R19 PolarHBondContact O-N 3.35Å; G17-G20 PolarHBondContact O-N 3.48Å; G17-R21 WeakPolarHBondContact O-CG 3.24Å; G17-R21 PolarHBondContact O-N 3.17Å; G17-R21 VanDerWaalsContact O-N 3.09Å; G17-R21 PolarHBondContact O-NH1 2.67Å |
| 18 | A | 75.9 | Confident | 73.4 | Confident | 46 Ų | 46 | 109.1 Ų | 109.1 | 38% | 0.38 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E14 S15 R21 L22 | E14-A18 WeakPolarHBondContact O-CB 3.25Å; E14-A18 PolarHBondContact O-N 2.91Å; S15-A18 PolarHBondContact O-N 2.77Å; A18-R21 PolarHBondContact O-N 2.96Å; A18-L22 PolarHBondContact O-N 3.2Å; A18-L22 VanDerWaalsContact O-N 3.15Å |
| 19 | R | 80.1 | Confident | 75.1 | Confident | 182 Ų | 182 | 108.9 Ų | 108.9 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.6 | -42.7 | 176.9 | -166.2 | 168.7 | -179.7 | 169.6 | -0.8 | 112.4 | S15 T16 G17 R21 L22 D23 | S15-R19 WeakPolarHBondContact O-CB 3.24Å; S15-R19 PolarHBondContact O-N 3.17Å; S15-R19 VanDerWaalsContact O-N 3.1Å; T16-R19 PolarHBondContact O-N 3.18Å; G17-R19 VanDerWaalsContact C-N 3.34Å; G17-R19 PolarHBondContact O-N 3.35Å; R19-R21 VanDerWaalsContact C-N 3.34Å; R19-R21 PolarHBondContact O-N 2.78Å; R19-L22 PolarHBondContact O-N 2.81Å; R19-D23 PolarHBondContact O-N 3.01Å |
| 20 | G | 89.7 | Confident | 76.7 | Confident | 42 Ų | 42 | 104.6 Ų | 104.6 | 43% | 0.433 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.8 | -38.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T16 G17 D23 A24 | T16-G20 PolarHBondContact O-N 2.96Å; T16-G20 VanDerWaalsContact O-N 3.09Å; G17-G20 PolarHBondContact O-N 3.48Å; G20-D23 PolarHBondContact O-N 2.89Å; G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 2.94Å |
| 21 | R | 89.1 | Confident | 78.1 | Confident | 160 Ų | 160 | 99.4 Ų | 99.4 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 174.7 | -71.4 | -172.6 | -62.7 | -92.5 | 6.9 | 112.3 | G17 A18 R19 A24 V25 | G17-R21 WeakPolarHBondContact O-CG 3.24Å; G17-R21 PolarHBondContact O-N 3.17Å; G17-R21 VanDerWaalsContact O-N 3.09Å; G17-R21 PolarHBondContact O-NH1 2.67Å; A18-R21 PolarHBondContact O-N 2.96Å; R19-R21 VanDerWaalsContact C-N 3.34Å; R19-R21 PolarHBondContact O-N 2.78Å; R21-A24 PolarHBondContact O-N 2.7Å; R21-V25 WeakPolarHBondContact O-CG2 3.21Å; R21-V25 PolarHBondContact O-N 2.9Å; R21-V25 VanDerWaalsContact O-N 3.13Å |
| 22 | L | 88.4 | Confident | 79.1 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 52% | 0.524 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 176.5 | -179.5 | 66.3 | 0 | 0 | 0 | 111.4 | A18 R19 A24 V25 L26 | A18-L22 PolarHBondContact O-N 3.2Å; A18-L22 VanDerWaalsContact O-N 3.15Å; R19-L22 PolarHBondContact O-N 2.81Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.23Å; L22-V25 PolarHBondContact O-N 3.41Å; L22-L26 HydrophobicContact CD1-CD1 4.35Å; L22-L26 HydrophobicContact CD1-CG 4.38Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 HydrophobicContact CG-CG 4.44Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.87Å |
| 23 | D | 90.2 | Very high | 79.9 | Confident | 80 Ų | 80 | 99.6 Ų | 99.6 | 43% | 0.428 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 179.1 | -77.2 | -16.8 | 0 | 0 | 0 | 111.9 | R19 G20 K27 | R19-D23 PolarHBondContact O-N 3.01Å; G20-D23 PolarHBondContact O-N 2.89Å; D23-K27 WeakPolarHBondContact O-CB 3.25Å; D23-K27 WeakPolarHBondContact O-CG 3.2Å; D23-K27 PolarHBondContact O-N 3.03Å |
| 24 | A | 91.1 | Very high | 80.3 | Confident | 64 Ų | 64 | 98.9 Ų | 98.9 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | G20 R21 L22 K27 G28 | G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 2.94Å; R21-A24 PolarHBondContact O-N 2.7Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.23Å; A24-K27 PolarHBondContact O-N 3.22Å; A24-G28 PolarHBondContact O-N 3.13Å |
| 25 | V | 92.6 | Very high | 80.2 | Confident | 102 Ų | 102 | 98.4 Ų | 98.4 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | R21 L22 G28 L29 | R21-V25 WeakPolarHBondContact O-CG2 3.21Å; R21-V25 PolarHBondContact O-N 2.9Å; R21-V25 VanDerWaalsContact O-N 3.13Å; L22-V25 PolarHBondContact O-N 3.41Å; V25-G28 PolarHBondContact O-N 2.96Å; V25-L29 PolarHBondContact O-N 2.91Å |
| 26 | L | 89.6 | Confident | 80.2 | Confident | 89 Ų | 89 | 102.7 Ų | 102.7 | 47% | 0.466 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 178.4 | -71.8 | 174 | 0 | 0 | 0 | 111.8 | L22 L29 V30 | L22-L26 HydrophobicContact CD1-CD1 4.35Å; L22-L26 HydrophobicContact CD1-CG 4.38Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 HydrophobicContact CG-CG 4.44Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.87Å; L26-L29 PolarHBondContact O-N 3.15Å; L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 2.82Å |
| 27 | K | 88.4 | Confident | 79.4 | Confident | 139 Ų | 139 | 107.7 Ų | 107.7 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.2 | -47.4 | 173.6 | -80.7 | 171 | 169.3 | -78.4 | 0 | 111.7 | D23 A24 L29 V30 E31 | D23-K27 WeakPolarHBondContact O-CB 3.25Å; D23-K27 WeakPolarHBondContact O-CG 3.2Å; D23-K27 PolarHBondContact O-N 3.03Å; A24-K27 PolarHBondContact O-N 3.22Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 PolarHBondContact O-N 2.75Å; K27-V30 PolarHBondContact O-N 3.02Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.2Å |
| 28 | G | 86.4 | Confident | 77.7 | Confident | 33 Ų | 33 | 113.8 Ų | 113.8 | 34% | 0.34 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.1 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A24 V25 K32 | A24-G28 PolarHBondContact O-N 3.13Å; V25-G28 PolarHBondContact O-N 2.96Å; G28-K32 WeakPolarHBondContact O-CB 3.23Å; G28-K32 PolarHBondContact O-N 3.12Å; G28-K32 VanDerWaalsContact O-N 3.07Å |
| 29 | L | 85.9 | Confident | 76.2 | Confident | 121 Ų | 121 | 117.1 Ų | 117.1 | 63% | 0.634 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.9 | -37.7 | 176.6 | -157.7 | 75.4 | 0 | 0 | 0 | 112.2 | V25 L26 K27 S33 | V25-L29 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.15Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 PolarHBondContact O-N 2.75Å; L29-S33 WeakPolarHBondContact O-CB 3.46Å; L29-S33 PolarHBondContact O-N 3.25Å; L29-S33 PolarHBondContact O-OG 3.02Å |
| 30 | V | 86 | Confident | 74 | Confident | 88 Ų | 88 | 116.2 Ų | 116.2 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.4 | -50.2 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L26 K27 K32 S33 E34 | L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 2.82Å; K27-V30 PolarHBondContact O-N 3.02Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.33Å; V30-S33 PolarHBondContact O-N 2.99Å; V30-S33 VanDerWaalsContact O-N 3.09Å; V30-S33 PolarHBondContact O-OG 3.3Å; V30-E34 PolarHBondContact O-N 3.2Å |
| 31 | E | 82.3 | Confident | 71.8 | Confident | 122 Ų | 122 | 123 Ų | 123 | 57% | 0.57 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.5 | -39.6 | 178.5 | -70.7 | 168.7 | -175.4 | 0 | 0 | 111.5 | K27 S33 E34 N35 | K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.2Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 3.38Å; E31-E34 PolarHBondContact O-N 3.32Å; E31-N35 WeakPolarHBondContact O-CB 3.35Å; E31-N35 PolarHBondContact O-N 3.31Å |
| 32 | K | 74.7 | Confident | 69.1 | Low | 156 Ų | 156 | 122.9 Ų | 122.9 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.1 | -33.6 | 176.5 | -158.4 | 164.6 | -178.9 | 178.9 | 0 | 112.4 | G28 V30 E36 | G28-K32 WeakPolarHBondContact O-CB 3.23Å; G28-K32 PolarHBondContact O-N 3.12Å; G28-K32 VanDerWaalsContact O-N 3.07Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.45Å; K32-E36 PolarHBondContact O-N 3.05Å |
| 33 | S | 70.7 | Confident | 67.2 | Low | 60 Ų | 60 | 123.4 Ų | 123.4 | 42% | 0.42 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.7 | -25.1 | 173.9 | 75.2 | 0 | 0 | 0 | 0 | 113.9 | L29 V30 E31 | L29-S33 WeakPolarHBondContact O-CB 3.46Å; L29-S33 PolarHBondContact O-N 3.25Å; L29-S33 PolarHBondContact O-OG 3.02Å; V30-S33 PolarHBondContact O-N 2.99Å; V30-S33 VanDerWaalsContact O-N 3.09Å; V30-S33 PolarHBondContact O-OG 3.3Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 3.38Å |
| 34 | E | 66.1 | Low | 64.6 | Low | 138 Ų | 138 | 123.1 Ų | 123.1 | 65% | 0.645 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.4 | -38 | 175.9 | -171.4 | 167.4 | -154.1 | 0 | 0 | 110.9 | V30 E31 E36 R37 | V30-E34 PolarHBondContact O-N 3.2Å; E31-E34 PolarHBondContact O-N 3.32Å; E34-E36 VanDerWaalsContact C-N 3.3Å; E34-E36 PolarHBondContact O-N 3.41Å; E34-R37 WeakPolarHBondContact O-CB 3.5Å; E34-R37 PolarHBondContact O-N 3.1Å |
| 35 | N | 56.1 | Low | 62 | Low | 139 Ų | 139 | 129.5 Ų | 129.5 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.4 | -16.4 | 176.7 | -158.8 | 88.1 | 0 | 0 | 0 | 114.1 | E31 R37 | E31-N35 WeakPolarHBondContact O-CB 3.35Å; E31-N35 PolarHBondContact O-N 3.31Å; N35-R37 VanDerWaalsContact C-N 3.28Å |
| 36 | E | 56.4 | Low | 59.7 | Low | 168 Ų | 168 | 132.3 Ų | 132.3 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -0.1 | 171.7 | -67.7 | -105.1 | 135.4 | 0 | 0 | 112.6 | K32 E34 | K32-E36 WeakPolarHBondContact O-CG 3.45Å; K32-E36 PolarHBondContact O-N 3.05Å; E34-E36 VanDerWaalsContact C-N 3.3Å; E34-E36 PolarHBondContact O-N 3.41Å |
| 37 | R | 52 | Low | 57.1 | Low | 203 Ų | 203 | 133.8 Ų | 133.8 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | trans | -104.3 | 12.3 | -173.8 | -150 | 177.4 | -79.9 | 176 | -3.7 | 114.4 | E34 N35 | E34-R37 WeakPolarHBondContact O-CB 3.5Å; E34-R37 PolarHBondContact O-N 3.1Å; N35-R37 VanDerWaalsContact C-N 3.28Å | ||
| 38 | E | 40.8 | Very low | 55 | Low | 158 Ų | 158 | 133.6 Ų | 133.6 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -86.6 | 140.6 | 164.2 | -73.4 | -68.3 | 126.1 | 0 | 0 | 109.8 | N40 | E38-N40 PolarHBondContact O-N 3.3Š|
| 39 | P | 43.5 | Very low | 52.7 | Low | 116 Ų | 116 | 139.3 Ų | 139.3 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -74.2 | 113.7 | -161.9 | 29.8 | -32.8 | 0 | 0 | 0 | 111.5 | E41 | P39-E41 PolarHBondContact O-N 3.07Š| ||
| 40 | N | 35.1 | Very low | 50.3 | Low | 162 Ų | 162 | 138 Ų | 138 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | -72.1 | 113.5 | 163.6 | -114.7 | -40.2 | 0 | 0 | 0 | 108.6 | E38 | E38-N40 PolarHBondContact O-N 3.3Š| ||
| 41 | E | 42.1 | Very low | 48.2 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -91.5 | 128.7 | 155.5 | -71 | -150.7 | 133.8 | 0 | 0 | 110 | P39 | P39-E41 PolarHBondContact O-N 3.07Š| ||
| 42 | D | 32.5 | Very low | 46.2 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 98.6 | 135.7 | 156.2 | -142.9 | 50.4 | 0 | 0 | 0 | 119.6 | ||||
| 43 | P | 49.5 | Very low | 44.7 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -102.4 | 147.4 | -159.5 | 39.6 | -31.7 | 0 | 0 | 0 | 113.3 | ||||
| 44 | G | 35.8 | Very low | 43.1 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 137.1 | 137.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 45 | K | 34.6 | Very low | 41.8 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 97.3 | 97.3 | 153.3 | -130.4 | 173.5 | -174.1 | -177.4 | 0 | 117.5 | ||||
| 46 | L | 45.3 | Very low | 40.9 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | 28.1 | 118.9 | 135.1 | -55.4 | 173.8 | 0 | 0 | 0 | 118.7 | ||||
| 47 | S | 34.6 | Very low | 40.3 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -158.5 | 88.2 | 142 | -169.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 48 | V | 45.4 | Very low | 39.6 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -89.1 | 100.5 | 158.9 | -85.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 49 | D | 37.9 | Very low | 39.7 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | 165.3 | 113.7 | 147.3 | -112.8 | -62.4 | 0 | 0 | 0 | 110 | ||||
| 50 | A | 34.1 | Very low | 39.4 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -168.7 | 104.2 | 146.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 51 | L | 43.1 | Very low | 39.6 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 80% | 0.801 | 82% | 0.817 | S | S | * | * | trans | 83.7 | 73.9 | 137.4 | -135.9 | 74.7 | 0 | 0 | 0 | 118.4 | ||||
| 52 | N | 39.5 | Very low | 39.8 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 95% | 0.952 | 82% | 0.818 | S | S | * | * | trans | -113.1 | 98.3 | 143.1 | -96.7 | -82.8 | 0 | 0 | 0 | 108.4 | ||||
| 53 | K | 43.7 | Very low | 40.8 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | -136.5 | 140.2 | 170.4 | -123.6 | 169.7 | 179.5 | 175.7 | 0 | 108 | ||||
| 54 | D | 37.3 | Very low | 40.6 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | trans | 83.4 | 123.1 | 168.7 | -49.6 | -28.5 | 0 | 0 | 0 | 113.4 | ||||
| 55 | L | 37.8 | Very low | 40.9 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | cis | -157.9 | 140.3 | 27.3 | -67.2 | 163.9 | 0 | 0 | 0 | 110.3 | ||||
| 56 | S | 37.5 | Very low | 41.2 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | -174.7 | 133.8 | 129.3 | -82.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 57 | P | 43.7 | Very low | 41.4 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | trans | -85.5 | 136.7 | -170.7 | 33.5 | -33.4 | 0 | 0 | 0 | 112.9 | ||||
| 58 | S | 37.6 | Very low | 42.1 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -80.4 | 130 | 160.8 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 59 | S | 42.3 | Very low | 42.3 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -117.9 | 129.1 | 161.4 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | A | 38.8 | Very low | 43.1 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -83.8 | 136.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 61 | G | 37.7 | Very low | 43.8 | Very low | 79 Ų | 79 | 151.8 Ų | 151.8 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -126.3 | 96.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 62 | K | 47.8 | Very low | 43.8 | Very low | 204 Ų | 204 | 155 Ų | 155 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -72.1 | 130.1 | 174.6 | -64.8 | 174.3 | 177 | 177.1 | 0 | 110.2 | ||||
| 63 | R | 53.3 | Low | 44.3 | Very low | 238 Ų | 238 | 158 Ų | 158 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -137.5 | 137.3 | 155.8 | -79.9 | -172.1 | 175 | 169 | -1.2 | 110.1 | ||||
| 64 | P | 44.1 | Very low | 45 | Very low | 133 Ų | 133 | 159.9 Ų | 159.9 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 129.3 | -174.4 | 30.9 | -31.6 | 0 | 0 | 0 | 110.9 | ||
| 65 | S | 42 | Very low | 45.5 | Very low | 120 Ų | 120 | 162.7 Ų | 162.7 | 84% | 0.839 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 122.5 | 170.9 | -175 | 0 | 0 | 0 | 0 | 109.4 | ||
| 66 | A | 41.5 | Very low | 46.2 | Very low | 93 Ų | 93 | 165.3 Ų | 165.3 | 77% | 0.769 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 126.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 67 | R | 50.2 | Low | 47.2 | Very low | 230 Ų | 230 | 169.2 Ų | 169.2 | 87% | 0.868 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 131.8 | 169.4 | -81.1 | 176.9 | -102.1 | -163.2 | -7.5 | 110.8 | ||
| 68 | F | 49 | Very low | 47.5 | Very low | 206 Ų | 206 | 170.6 Ų | 170.6 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | trans | -158 | 154.7 | 144 | -87.3 | -57.2 | 0 | 0 | 0 | 110.7 | ||||
| 69 | P | 49.9 | Very low | 47.7 | Very low | 114 Ų | 114 | 173.7 Ų | 173.7 | 74% | 0.74 | 85% | 0.85 | S | S | * | * | -108.1 | 157.8 | -129.9 | 9.3 | 13.5 | 0 | 0 | 0 | 114.7 | H71 | P69-H71 PolarHBondContact O-N 3.42Š| |||
| 70 | Q | 53.3 | Low | 47.6 | Very low | 201 Ų | 201 | 175.3 Ų | 175.3 | 94% | 0.939 | 85% | 0.849 | S | S | * | * | trans | -54.7 | 118.4 | 166.5 | -73 | 171.4 | -49.8 | 0 | 0 | 111 | ||||
| 71 | H | 49 | Very low | 47.8 | Very low | 189 Ų | 189 | 179.7 Ų | 179.7 | 88% | 0.875 | 85% | 0.854 | S | S | * | * | trans | -109.9 | 132.3 | 163.5 | -143.9 | -79.4 | 0 | 0 | 0 | 111.6 | P69 | P69-H71 PolarHBondContact O-N 3.42Š| ||
| 72 | R | 43 | Very low | 48 | Very low | 220 Ų | 220 | 179.3 Ų | 179.3 | 83% | 0.83 | 85% | 0.85 | S | S | * | * | trans | -75.1 | 136.4 | -169 | -133 | 166.1 | 80.8 | 176.9 | 7.6 | 111.7 | ||||
| 73 | R | 49.9 | Very low | 47.7 | Very low | 242 Ų | 242 | 176.7 Ų | 176.7 | 91% | 0.913 | 84% | 0.844 | S | S | * | * | trans | 25.7 | 125.1 | 147.9 | -73.4 | 175.9 | 153 | 164 | -5.8 | 119.5 | ||||
| 74 | K | 59.2 | Low | 47 | Very low | 209 Ų | 209 | 170.9 Ų | 170.9 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -143 | 117.5 | 136.8 | -164.6 | 169.7 | 178.4 | 177 | 0 | 111.6 | ||||
| 75 | K | 48.6 | Very low | 47 | Very low | 202 Ų | 202 | 172.1 Ų | 172.1 | 88% | 0.878 | 83% | 0.831 | S | S | * | * | trans | -64.3 | 122.9 | 174.5 | -171.5 | -176 | -174.1 | -176.5 | 0 | 109.3 | ||||
| 76 | R | 51.7 | Low | 47.1 | Very low | 211 Ų | 211 | 172.1 Ų | 172.1 | 80% | 0.796 | 83% | 0.826 | S | S | * | * | trans | -116.2 | 124.2 | 158 | -162.4 | 177.9 | -166.8 | -143.1 | 5.7 | 107.8 | E78 | R76-E78 PolarHBondContact O-N 2.94Š| ||
| 77 | K | 58.3 | Low | 47.1 | Very low | 200 Ų | 200 | 173.4 Ų | 173.4 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -69.8 | 114.7 | 176.1 | -177.9 | 178.6 | -179.3 | -177.3 | 0 | 106.9 | ||||
| 78 | E | 50.6 | Low | 46.9 | Very low | 160 Ų | 160 | 169.1 Ų | 169.1 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -111.4 | 146.4 | 165 | -67.3 | -158 | 161 | 0 | 0 | 109.6 | R76 | R76-E78 PolarHBondContact O-N 2.94Š| ||
| 79 | M | 42 | Very low | 47.2 | Very low | 184 Ų | 184 | 166.3 Ų | 166.3 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -77.7 | 131.2 | -163.8 | -159.2 | 141.2 | 66.3 | 0 | 0 | 108.8 | E81 | M79-E81 PolarHBondContact O-N 3.08Š| ||
| 80 | D | 40.6 | Very low | 47.3 | Very low | 154 Ų | 154 | 168.2 Ų | 168.2 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -75.1 | 106.9 | 178.1 | 179.8 | 32.8 | 0 | 0 | 0 | 109.3 | ||||
| 81 | E | 42.5 | Very low | 47.5 | Very low | 184 Ų | 184 | 166.7 Ų | 166.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -125.2 | 90.9 | 161.1 | -88.2 | -124.2 | 126 | 0 | 0 | 108.5 | M79 | M79-E81 PolarHBondContact O-N 3.08Š| ||
| 82 | G | 41.8 | Very low | 48 | Very low | 71 Ų | 71 | 162.6 Ų | 162.6 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 56.7 | 67.6 | 132.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 83 | I | 40.7 | Very low | 49.7 | Very low | 150 Ų | 150 | 155.8 Ų | 155.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -111.4 | 126.3 | 155.2 | -64.8 | 169.7 | 0 | 0 | 0 | 106.8 | E85 | I83-E85 PolarHBondContact O-N 3.19Š| ||
| 84 | P | 40.3 | Very low | 51.5 | Low | 115 Ų | 115 | 150.8 Ų | 150.8 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -62.7 | 118.2 | -177.1 | 24.6 | -32.2 | 0 | 0 | 0 | 110 | T86 | P84-T86 PolarHBondContact O-N 3.04Š| ||
| 85 | E | 43.4 | Very low | 53 | Low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -58.3 | 105 | 173.9 | -61.8 | -150.8 | 159.1 | 0 | 0 | 110 | I83 | I83-E85 PolarHBondContact O-N 3.19Š| ||
| 86 | T | 44.6 | Very low | 55 | Low | 120 Ų | 120 | 140 Ų | 140 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | -108.7 | 123.3 | 155.3 | 58.8 | 0 | 0 | 0 | 0 | 107.2 | P84 | P84-T86 PolarHBondContact O-N 3.04Š| ||
| 87 | N | 40.9 | Very low | 56.9 | Low | 120 Ų | 120 | 136.9 Ų | 136.9 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | trans | 89.9 | 77 | 173.6 | -62.6 | -70.3 | 0 | 0 | 0 | 117.5 | H89 | N87-H89 PolarHBondContact O-N 2.66Å; N87-H89 PolarHBondContact OD1-CE1 3Å; N87-H89 PolarHBondContact OD1-ND1 2.75Å | ||
| 88 | Q | 46.8 | Very low | 58.4 | Low | 140 Ų | 140 | 131 Ų | 131 | 65% | 0.654 | 68% | 0.676 | S | S | * | * | trans | -65.4 | 49.6 | 152.6 | -62.6 | 177.6 | -3.7 | 0 | 0 | 112.8 | K90 | Q88-K90 PolarHBondContact O-N 3.32Š| ||
| 89 | H | 54.5 | Low | 59.9 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 68% | 0.681 | 68% | 0.678 | S | S | * | * | trans | -80.2 | 68.1 | 168.4 | -73.3 | 96.8 | 0 | 0 | 0 | 109.6 | N87 Q91 | N87-H89 PolarHBondContact O-N 2.66Å; N87-H89 PolarHBondContact OD1-CE1 3Å; N87-H89 PolarHBondContact OD1-ND1 2.75Å; H89-Q91 PolarHBondContact O-N 3.24Å | ||
| 90 | K | 52.2 | Low | 62 | Low | 154 Ų | 154 | 128.9 Ų | 128.9 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | trans | -67 | 122.9 | 174.9 | -71.4 | 173.4 | 177.7 | 169.8 | 0 | 109.3 | Q88 | Q88-K90 PolarHBondContact O-N 3.32Š| ||
| 91 | Q | 56.8 | Low | 64.4 | Low | 169 Ų | 169 | 124.5 Ų | 124.5 | 79% | 0.79 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 92.8 | 3.6 | 151.5 | -49.3 | -49.8 | -43.2 | 0 | 0 | 122.7 | H89 | H89-Q91 PolarHBondContact O-N 3.24Š|
| 92 | N | 60.9 | Low | 66.6 | Low | 104 Ų | 104 | 117.9 Ų | 117.9 | 56% | 0.556 | 61% | 0.612 | S | S | * | * | trans | -120.8 | 87.1 | 169.1 | -63.5 | -41.6 | 0 | 0 | 0 | 111.2 | Y94 A106 | N92-Y94 HydrophobicContact CB-CD2 4.08Å; N92-Y94 HydrophobicContact CB-CE2 3.4Å; N92-Y94 PolarHBondContact O-N 3.11Å; N92-A106 VanDerWaalsContact O-CB 3.25Å; N92-A106 WeakPolarHBondContact O-CB 3.34Å | ||
| 93 | A | 77.9 | Confident | 69.1 | Low | 76 Ų | 76 | 115 Ų | 115 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | trans | -77.6 | 108.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | I95 | A93-I95 HydrophobicContact CB-CD1 4.4Å; A93-I95 HydrophobicContact CB-CG1 4.45Å | ||
| 94 | Y | 87.8 | Confident | 71.5 | Confident | 137 Ų | 137 | 110.5 Ų | 110.5 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | trans | -103.6 | 76 | 177.8 | -66.1 | -67.6 | 0 | 0 | 0 | 109.7 | N92 L105 | N92-Y94 HydrophobicContact CB-CD2 4.08Å; N92-Y94 HydrophobicContact CB-CE2 3.4Å; N92-Y94 PolarHBondContact O-N 3.11Å; Y94-L105 VanDerWaalsContact O-CB 3.24Å; Y94-L105 WeakPolarHBondContact O-CB 3.32Å; Y94-L105 PolarHBondContact O-N 3.36Å | ||
| 95 | I | 90.7 | Very high | 73.9 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.5 | -175.4 | -57.1 | 171.1 | 0 | 0 | 0 | 109.9 | A93 V103 D104 | A93-I95 HydrophobicContact CB-CD1 4.4Å; A93-I95 HydrophobicContact CB-CG1 4.45Å; I95-V103 WeakPolarHBondContact CA-O 3.24Å; I95-D104 HydrophobicContact CG1-CB 4.19Å |
| 96 | I | 91.1 | Very high | 76.2 | Confident | 82 Ų | 82 | 101.8 Ų | 101.8 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.4 | 169.1 | -51.8 | -172.4 | 0 | 0 | 0 | 109 | L98 S102 V103 L105 | I96-L98 HydrophobicContact CB-CD1 4.39Å; I96-L98 HydrophobicContact CG2-CD1 3.36Å; I96-S102 WeakPolarHBondContact O-CA 3.43Å; I96-V103 HydrophobicContact CB-CG1 4.32Å; I96-V103 PolarHBondContact N-O 3.32Å; I96-V103 PolarHBondContact O-N 3.3Å; I96-L105 HydrophobicContact CD1-CD1 3.45Å; I96-L105 VanDerWaalsContact CD1-CD1 3.45Å; I96-L105 HydrophobicContact CD1-CG 4.29Å; I96-L105 HydrophobicContact CG1-CD1 3.79Å; I96-L105 HydrophobicContact CG1-CG 4.25Å |
| 97 | K | 91.2 | Very high | 78.3 | Confident | 145 Ų | 145 | 101.6 Ų | 101.6 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.9 | 175.3 | -171.8 | -179.9 | 177.4 | -177.2 | 0 | 110.9 | D100 R101 | K97-D100 IonicContact NZ-OD1 3.82Å; K97-R101 CarbonylContact C-O 3.55Å; K97-R101 VanDerWaalsContact CA-O 3.29Å; K97-R101 WeakPolarHBondContact CA-O 3.43Å; K97-R101 WeakPolarHBondContact CG-O 3.15Å |
| 98 | L | 88.3 | Confident | 80.7 | Confident | 76 Ų | 76 | 97.9 Ų | 97.9 | 40% | 0.398 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.7 | 173 | -71.6 | 90.1 | 0 | 0 | 0 | 109.2 | I96 D100 R101 W121 | I96-L98 HydrophobicContact CB-CD1 4.39Å; I96-L98 HydrophobicContact CG2-CD1 3.36Å; L98-D100 PolarHBondContact O-N 3.1Å; L98-R101 PolarHBondContact N-O 2.95Å; L98-R101 WeakPolarHBondContact O-CB 3.32Å; L98-R101 PolarHBondContact O-N 2.89Å; L98-R101 VanDerWaalsContact O-O 3.08Å; L98-W121 HydrophobicContact CB-CZ2 3.87Å |
| 99 | F | 83.9 | Confident | 82.8 | Confident | 179 Ų | 179 | 95.9 Ų | 95.9 | 79% | 0.785 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 55.7 | 172.8 | -58.2 | -74.6 | 0 | 0 | 0 | 113.7 | R101 W121 | F99-R101 PolarHBondContact O-N 2.89Å; F99-W121 HydrophobicContact CD2-CZ2 4.45Å |
| 100 | D | 85.6 | Confident | 84.5 | Confident | 121 Ų | 121 | 96.1 Ų | 96.1 | 65% | 0.647 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 8.1 | -177.2 | -65.4 | -36.5 | 0 | 0 | 0 | 116.9 | K97 L98 P126 | K97-D100 IonicContact NZ-OD1 3.82Å; L98-D100 PolarHBondContact O-N 3.1Å; D100-P126 WeakPolarHBondContact O-CG 3.47Å |
| 101 | R | 90.3 | Very high | 86.5 | Confident | 61 Ų | 61 | 94.2 Ų | 94.2 | 23% | 0.23 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.4 | 173.8 | -57.6 | -171.8 | -169.1 | -179.4 | 8.9 | 110.5 | K97 L98 F99 W121 M122 N124 N125 | K97-R101 CarbonylContact C-O 3.55Å; K97-R101 VanDerWaalsContact CA-O 3.29Å; K97-R101 WeakPolarHBondContact CA-O 3.43Å; K97-R101 WeakPolarHBondContact CG-O 3.15Å; L98-R101 PolarHBondContact N-O 2.95Å; L98-R101 WeakPolarHBondContact O-CB 3.32Å; L98-R101 PolarHBondContact O-N 2.89Å; L98-R101 VanDerWaalsContact O-O 3.08Å; F99-R101 PolarHBondContact O-N 2.89Å; R101-W121 VanDerWaalsContact CB-NE1 3.33Å; R101-M122 PolarHBondContact NH1-O 2.99Å; R101-N124 VanDerWaalsContact CB-O 3.32Å; R101-N124 WeakPolarHBondContact CB-O 3.42Å; R101-N124 VanDerWaalsContact CD-O 3.32Å; R101-N124 WeakPolarHBondContact CD-O 3.45Å; R101-N124 WeakPolarHBondContact CG-O 3.29Å; R101-N125 PolarHBondContact NE-OD1 3.33Å; R101-N125 PolarHBondContact NH2-ND2 3.44Å; R101-N125 PolarHBondContact NH2-OD1 3.34Å |
| 102 | S | 89.6 | Confident | 88.3 | Confident | 45 Ų | 45 | 87.7 Ų | 87.7 | 32% | 0.315 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.6 | 176.3 | 55 | 0 | 0 | 0 | 0 | 111 | I96 N124 | I96-S102 WeakPolarHBondContact O-CA 3.43Å; S102-N124 PolarHBondContact O-ND2 3.08Å; S102-N124 PolarHBondContact OG-ND2 2.98Å; S102-N124 VanDerWaalsContact OG-ND2 3.15Å |
| 103 | V | 92.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 86.9 Ų | 86.9 | 7% | 0.067 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.8 | 169.3 | 63.3 | 0 | 0 | 0 | 0 | 107.7 | I95 I96 L105 F108 I117 W121 | I95-V103 WeakPolarHBondContact CA-O 3.24Å; I96-V103 HydrophobicContact CB-CG1 4.32Å; I96-V103 PolarHBondContact N-O 3.32Å; I96-V103 PolarHBondContact O-N 3.3Å; V103-L105 HydrophobicContact CG1-CD2 4.35Å; V103-F108 HydrophobicContact CG2-CE2 3.95Å; V103-I117 HydrophobicContact CG2-CG2 4.15Å; V103-W121 HydrophobicContact CB-CB 4.02Å; V103-W121 HydrophobicContact CB-CG 4.5Å; V103-W121 HydrophobicContact CG1-CB 4.4Å; V103-W121 HydrophobicContact CG2-CB 4.37Å |
| 104 | D | 92.3 | Very high | 90.7 | Very high | 55 Ų | 55 | 89.2 Ų | 89.2 | 29% | 0.294 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.6 | 169 | -169.8 | -2 | 0 | 0 | 0 | 107.9 | I95 A106 Q107 F108 | I95-D104 HydrophobicContact CG1-CB 4.19Å; D104-A106 VanDerWaalsContact OD1-CB 3.24Å; D104-A106 WeakPolarHBondContact OD1-CB 3.32Å; D104-A106 PolarHBondContact OD1-N 3.36Å; D104-Q107 VanDerWaalsContact O-CD 3.3Å; D104-Q107 WeakPolarHBondContact O-CG 3.31Å; D104-Q107 PolarHBondContact O-NE2 2.91Å; D104-F108 WeakPolarHBondContact O-CE2 3.43Å |
| 105 | L | 91.2 | Very high | 91.1 | Very high | 55 Ų | 55 | 89.5 Ų | 89.5 | 29% | 0.288 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -87.2 | -17.6 | 175 | -62.2 | -177.8 | 0 | 0 | 0 | 112.2 | Y94 I96 V103 Q107 F108 I117 | Y94-L105 VanDerWaalsContact O-CB 3.24Å; Y94-L105 WeakPolarHBondContact O-CB 3.32Å; Y94-L105 PolarHBondContact O-N 3.36Å; I96-L105 HydrophobicContact CD1-CD1 3.45Å; I96-L105 VanDerWaalsContact CD1-CD1 3.45Å; I96-L105 HydrophobicContact CD1-CG 4.29Å; I96-L105 HydrophobicContact CG1-CD1 3.79Å; I96-L105 HydrophobicContact CG1-CG 4.25Å; V103-L105 HydrophobicContact CG1-CD2 4.35Å; L105-Q107 PolarHBondContact O-N 2.94Å; L105-F108 HydrophobicContact CD2-CD2 4.35Å; L105-F108 PolarHBondContact O-N 3.27Å; L105-I117 HydrophobicContact CD2-CG2 3.62Å |
| 106 | A | 90.7 | Very high | 91.3 | Very high | 37 Ų | 37 | 86.9 Ų | 86.9 | 31% | 0.306 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | N92 D104 F108 | N92-A106 VanDerWaalsContact O-CB 3.25Å; N92-A106 WeakPolarHBondContact O-CB 3.34Å; D104-A106 VanDerWaalsContact OD1-CB 3.24Å; D104-A106 WeakPolarHBondContact OD1-CB 3.32Å; D104-A106 PolarHBondContact OD1-N 3.36Å; A106-F108 VanDerWaalsContact C-N 3.26Å; A106-F108 PolarHBondContact O-N 3.39Å |
| 107 | Q | 89.8 | Confident | 91.4 | Very high | 115 Ų | 115 | 84.4 Ų | 84.4 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -7.7 | 173.4 | 73.5 | -167.3 | -24 | 0 | 0 | 113.6 | D104 L105 | D104-Q107 VanDerWaalsContact O-CD 3.3Å; D104-Q107 WeakPolarHBondContact O-CG 3.31Å; D104-Q107 PolarHBondContact O-NE2 2.91Å; L105-Q107 PolarHBondContact O-N 2.94Å |
| 108 | F | 91.3 | Very high | 91.5 | Very high | 43 Ų | 43 | 79.8 Ų | 79.8 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -117.4 | 146.9 | -179.8 | -54.5 | -68.3 | 0 | 0 | 0 | 111 | V103 D104 L105 A106 T112 P116 I117 | V103-F108 HydrophobicContact CG2-CE2 3.95Å; D104-F108 WeakPolarHBondContact O-CE2 3.43Å; L105-F108 HydrophobicContact CD2-CD2 4.35Å; L105-F108 PolarHBondContact O-N 3.27Å; A106-F108 VanDerWaalsContact C-N 3.26Å; A106-F108 PolarHBondContact O-N 3.39Å; F108-T112 HydrophobicContact CB-CG2 4.17Å; F108-T112 HydrophobicContact CD1-CG2 3.81Å; F108-T112 HydrophobicContact CG-CG2 4.26Å; F108-P116 HydrophobicContact CE1-CB 4.48Å; F108-I117 HydrophobicContact CB-CD1 4.41Å; F108-I117 HydrophobicContact CB-CG1 4.38Å; F108-I117 HydrophobicContact CD1-CG1 4.13Å; F108-I117 HydrophobicContact CD2-CB 4.33Å; F108-I117 HydrophobicContact CD2-CD1 4.35Å; F108-I117 HydrophobicContact CD2-CG1 3.77Å; F108-I117 HydrophobicContact CD2-CG2 4.09Å; F108-I117 HydrophobicContact CE1-CG1 4.34Å; F108-I117 HydrophobicContact CE2-CB 4.13Å; F108-I117 HydrophobicContact CE2-CG1 4.01Å; F108-I117 HydrophobicContact CE2-CG2 3.88Å; F108-I117 HydrophobicContact CG-CD1 4.36Å; F108-I117 HydrophobicContact CG-CG1 3.83Å; F108-I117 HydrophobicContact CZ-CB 4.41Å; F108-I117 HydrophobicContact CZ-CG1 4.28Å |
| 109 | N | 90.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 81.3 Ų | 81.3 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | trans | -89.5 | 165.5 | 172.6 | 60.5 | 39 | 0 | 0 | 0 | 110.8 | T111 T112 | N109-T111 PolarHBondContact O-N 2.93Å; N109-T111 VanDerWaalsContact O-N 3.17Å; N109-T111 VanDerWaalsContact OD1-C 3.31Å; N109-T111 PolarHBondContact OD1-N 2.98Å; N109-T111 PolarHBondContact OD1-OG1 3.24Å; N109-T112 PolarHBondContact N-OG1 3.45Å; N109-T112 VanDerWaalsContact O-CB 3.25Å; N109-T112 WeakPolarHBondContact O-CB 2.97Å; N109-T112 PolarHBondContact O-N 2.91Å; N109-T112 PolarHBondContact O-OG1 2.95Å; N109-T112 PolarHBondContact OD1-N 3.48Å; N109-T112 PolarHBondContact OD1-OG1 3.24Å | ||
| 110 | T | 89.6 | Confident | 92.2 | Very high | 152 Ų | 152 | 74.4 Ų | 74.4 | 93% | 0.933 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.8 | 178.7 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 111 | T | 94.6 | Very high | 92.5 | Very high | 114 Ų | 114 | 71.7 Ų | 71.7 | 70% | 0.699 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.5 | 174.1 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | N109 P113 | N109-T111 PolarHBondContact O-N 2.93Å; N109-T111 VanDerWaalsContact O-N 3.17Å; N109-T111 VanDerWaalsContact OD1-C 3.31Å; N109-T111 PolarHBondContact OD1-N 2.98Å; N109-T111 PolarHBondContact OD1-OG1 3.24Å; T111-P113 WeakPolarHBondContact O-CD 3.05Å |
| 112 | T | 93.5 | Very high | 92.5 | Very high | 32 Ų | 32 | 73.2 Ų | 73.2 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -73.1 | 121.9 | -177.5 | -61.5 | 0 | 0 | 0 | 0 | 108.5 | F108 N109 P116 I117 | F108-T112 HydrophobicContact CB-CG2 4.17Å; F108-T112 HydrophobicContact CD1-CG2 3.81Å; F108-T112 HydrophobicContact CG-CG2 4.26Å; N109-T112 PolarHBondContact N-OG1 3.45Å; N109-T112 VanDerWaalsContact O-CB 3.25Å; N109-T112 WeakPolarHBondContact O-CB 2.97Å; N109-T112 PolarHBondContact O-N 2.91Å; N109-T112 PolarHBondContact O-OG1 2.95Å; N109-T112 PolarHBondContact OD1-N 3.48Å; N109-T112 PolarHBondContact OD1-OG1 3.24Å; T112-P116 HydrophobicContact CG2-CB 4.02Å; T112-P116 HydrophobicContact CG2-CG 4.21Å; T112-I117 HydrophobicContact CG2-CD1 4.36Å; T112-I117 HydrophobicContact CG2-CG1 4.04Å |
| 113 | P | 95.4 | Very high | 92.5 | Very high | 86 Ų | 86 | 79.7 Ų | 79.7 | 56% | 0.558 | 41% | 0.411 | S | S | * | . | trans | -64 | 157.3 | 177 | 25.5 | -31.7 | 0 | 0 | 0 | 110.6 | T111 Y115 P116 | T111-P113 WeakPolarHBondContact O-CD 3.05Å; P113-Y115 PolarHBondContact O-N 3.08Å; P113-Y115 VanDerWaalsContact O-N 3.12Å; P113-P116 HydrophobicContact CG-CG 4.1Å; P113-P116 VanDerWaalsContact O-CD 3.24Å; P113-P116 WeakPolarHBondContact O-CD 3.37Å | ||
| 114 | L | 94.9 | Very high | 92.1 | Very high | 125 Ų | 125 | 82.6 Ų | 82.6 | 65% | 0.654 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.2 | -28.7 | -175.1 | -176 | 60 | 0 | 0 | 0 | 113.5 | I117 C118 | L114-I117 WeakPolarHBondContact O-CB 3.39Å; L114-I117 PolarHBondContact O-N 2.95Å; L114-C118 PolarHBondContact O-N 3.12Å; L114-C118 PolarHBondContact O-SG 3.22Å; L114-C118 VanDerWaalsContact O-SG 3.39Å |
| 115 | Y | 95.9 | Very high | 91.6 | Very high | 143 Ų | 143 | 81.6 Ų | 81.6 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.4 | -51.5 | -173.2 | -177 | -99.1 | 0 | 0 | 0 | 114.3 | P113 I117 C118 R119 | P113-Y115 PolarHBondContact O-N 3.08Å; P113-Y115 VanDerWaalsContact O-N 3.12Å; Y115-I117 PolarHBondContact O-N 3.34Å; Y115-C118 PolarHBondContact O-N 3.05Å; Y115-R119 HydrophobicContact CD1-CG 4.25Å; Y115-R119 HydrophobicContact CE1-CG 3.83Å; Y115-R119 HydrophobicContact CE2-CG 4.42Å; Y115-R119 PolarHBondContact O-N 3.45Å; Y115-R119 PolarHBondContact OH-NE 2.97Å; Y115-R119 PolarHBondContact OH-NH2 3.48Å |
| 116 | P | 94.5 | Very high | 90.9 | Very high | 49 Ų | 49 | 82.8 Ų | 82.8 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -50.6 | -41.2 | 170 | -29.9 | 30.3 | 0 | 0 | 0 | 114.5 | F108 T112 P113 R119 S120 | F108-P116 HydrophobicContact CE1-CB 4.48Å; T112-P116 HydrophobicContact CG2-CB 4.02Å; T112-P116 HydrophobicContact CG2-CG 4.21Å; P113-P116 HydrophobicContact CG-CG 4.1Å; P113-P116 VanDerWaalsContact O-CD 3.24Å; P113-P116 WeakPolarHBondContact O-CD 3.37Å; P116-R119 PolarHBondContact O-N 3.13Å; P116-S120 PolarHBondContact O-N 3.05Å; P116-S120 PolarHBondContact O-OG 3.43Å |
| 117 | I | 94.1 | Very high | 90.1 | Very high | 30 Ų | 30 | 86.3 Ų | 86.3 | 15% | 0.154 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.6 | -48.9 | -179.4 | -51.4 | 178 | 0 | 0 | 0 | 109.8 | V103 L105 F108 T112 L114 Y115 R119 S120 W121 | V103-I117 HydrophobicContact CG2-CG2 4.15Å; L105-I117 HydrophobicContact CD2-CG2 3.62Å; F108-I117 HydrophobicContact CB-CD1 4.41Å; F108-I117 HydrophobicContact CB-CG1 4.38Å; F108-I117 HydrophobicContact CD1-CG1 4.13Å; F108-I117 HydrophobicContact CD2-CB 4.33Å; F108-I117 HydrophobicContact CD2-CD1 4.35Å; F108-I117 HydrophobicContact CD2-CG1 3.77Å; F108-I117 HydrophobicContact CD2-CG2 4.09Å; F108-I117 HydrophobicContact CE1-CG1 4.34Å; F108-I117 HydrophobicContact CE2-CB 4.13Å; F108-I117 HydrophobicContact CE2-CG1 4.01Å; F108-I117 HydrophobicContact CE2-CG2 3.88Å; F108-I117 HydrophobicContact CG-CD1 4.36Å; F108-I117 HydrophobicContact CG-CG1 3.83Å; F108-I117 HydrophobicContact CZ-CB 4.41Å; F108-I117 HydrophobicContact CZ-CG1 4.28Å; T112-I117 HydrophobicContact CG2-CD1 4.36Å; T112-I117 HydrophobicContact CG2-CG1 4.04Å; L114-I117 WeakPolarHBondContact O-CB 3.39Å; L114-I117 PolarHBondContact O-N 2.95Å; Y115-I117 PolarHBondContact O-N 3.34Å; I117-R119 VanDerWaalsContact C-N 3.31Å; I117-R119 PolarHBondContact O-N 3.32Å; I117-S120 PolarHBondContact O-N 3.3Å; I117-W121 PolarHBondContact O-N 2.87Å |
| 118 | C | 93.5 | Very high | 88.9 | Confident | 48 Ų | 48 | 87.3 Ų | 87.3 | 32% | 0.324 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 175.2 | -70 | 0 | 0 | 0 | 0 | 112.6 | L114 Y115 W121 M122 | L114-C118 PolarHBondContact O-N 3.12Å; L114-C118 PolarHBondContact O-SG 3.22Å; L114-C118 VanDerWaalsContact O-SG 3.39Å; Y115-C118 PolarHBondContact O-N 3.05Å; C118-W121 PolarHBondContact O-N 3.35Å; C118-M122 HydrophobicContact CB-CE 4.47Å; C118-M122 WeakPolarHBondContact O-CE 3.41Å; C118-M122 WeakPolarHBondContact O-CG 3.45Å; C118-M122 PolarHBondContact O-N 2.77Å |
| 119 | R | 93.5 | Very high | 87.5 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 41% | 0.408 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 175.8 | -82.4 | -69.2 | -161.8 | 144.3 | 4.9 | 112.1 | Y115 P116 I117 W121 M122 R123 | Y115-R119 HydrophobicContact CD1-CG 4.25Å; Y115-R119 HydrophobicContact CE1-CG 3.83Å; Y115-R119 HydrophobicContact CE2-CG 4.42Å; Y115-R119 PolarHBondContact O-N 3.45Å; Y115-R119 PolarHBondContact OH-NE 2.97Å; Y115-R119 PolarHBondContact OH-NH2 3.48Å; P116-R119 PolarHBondContact O-N 3.13Å; I117-R119 VanDerWaalsContact C-N 3.31Å; I117-R119 PolarHBondContact O-N 3.32Å; R119-W121 VanDerWaalsContact C-N 3.33Å; R119-M122 HydrophobicContact CG-CE 4.38Å; R119-M122 PolarHBondContact O-N 3.25Å; R119-R123 WeakPolarHBondContact O-CG 3.49Å; R119-R123 PolarHBondContact O-N 3.39Å |
| 120 | S | 91.9 | Very high | 86.1 | Confident | 34 Ų | 34 | 99 Ų | 99 | 24% | 0.238 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 175.9 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | P116 I117 R123 N124 | P116-S120 PolarHBondContact O-N 3.05Å; P116-S120 PolarHBondContact O-OG 3.43Å; I117-S120 PolarHBondContact O-N 3.3Å; S120-R123 PolarHBondContact O-N 3.29Å; S120-N124 PolarHBondContact O-N 3.4Å; S120-N124 VanDerWaalsContact O-N 3.1Å |
| 121 | W | 92.6 | Very high | 84.4 | Confident | 65 Ų | 65 | 96.6 Ų | 96.6 | 25% | 0.246 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 173.2 | 178.9 | 67.2 | 0 | 0 | 0 | 112.9 | L98 F99 R101 V103 I117 C118 R119 R123 N124 | L98-W121 HydrophobicContact CB-CZ2 3.87Å; F99-W121 HydrophobicContact CD2-CZ2 4.45Å; R101-W121 VanDerWaalsContact CB-NE1 3.33Å; V103-W121 HydrophobicContact CB-CB 4.02Å; V103-W121 HydrophobicContact CB-CG 4.5Å; V103-W121 HydrophobicContact CG1-CB 4.4Å; V103-W121 HydrophobicContact CG2-CB 4.37Å; I117-W121 PolarHBondContact O-N 2.87Å; C118-W121 PolarHBondContact O-N 3.35Å; R119-W121 VanDerWaalsContact C-N 3.33Å; W121-R123 VanDerWaalsContact C-N 3.33Å; W121-R123 PolarHBondContact O-N 2.92Å; W121-N124 PolarHBondContact O-N 3.31Å |
| 122 | M | 90.5 | Very high | 82.4 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 177 | -77.8 | -174.4 | -78.8 | 0 | 0 | 113.2 | R101 C118 R119 | R101-M122 PolarHBondContact NH1-O 2.99Å; C118-M122 HydrophobicContact CB-CE 4.47Å; C118-M122 WeakPolarHBondContact O-CE 3.41Å; C118-M122 WeakPolarHBondContact O-CG 3.45Å; C118-M122 PolarHBondContact O-N 2.77Å; R119-M122 HydrophobicContact CG-CE 4.38Å; R119-M122 PolarHBondContact O-N 3.25Å |
| 123 | R | 88.9 | Confident | 80.4 | Confident | 181 Ų | 181 | 98.5 Ų | 98.5 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.1 | -34.8 | 175.9 | -72.1 | -175.1 | -169.7 | 113.9 | -5.4 | 112.7 | R119 S120 W121 N125 | R119-R123 WeakPolarHBondContact O-CG 3.49Å; R119-R123 PolarHBondContact O-N 3.39Å; S120-R123 PolarHBondContact O-N 3.29Å; W121-R123 VanDerWaalsContact C-N 3.33Å; W121-R123 PolarHBondContact O-N 2.92Å; R123-N125 PolarHBondContact O-N 3.43Å |
| 124 | N | 85.9 | Confident | 78 | Confident | 72 Ų | 72 | 99.4 Ų | 99.4 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | trans | -76.2 | 67.1 | 175.9 | -168.5 | -4.8 | 0 | 0 | 0 | 111 | R101 S102 S120 W121 P126 | R101-N124 VanDerWaalsContact CB-O 3.32Å; R101-N124 WeakPolarHBondContact CB-O 3.42Å; R101-N124 VanDerWaalsContact CD-O 3.32Å; R101-N124 WeakPolarHBondContact CD-O 3.45Å; R101-N124 WeakPolarHBondContact CG-O 3.29Å; S102-N124 PolarHBondContact O-ND2 3.08Å; S102-N124 PolarHBondContact OG-ND2 2.98Å; S102-N124 VanDerWaalsContact OG-ND2 3.15Å; S120-N124 PolarHBondContact O-N 3.4Å; S120-N124 VanDerWaalsContact O-N 3.1Å; W121-N124 PolarHBondContact O-N 3.31Å; N124-P126 WeakPolarHBondContact O-CD 3.44Å | ||
| 125 | N | 82 | Confident | 75.7 | Confident | 34 Ų | 34 | 99.4 Ų | 99.4 | 18% | 0.182 | 53% | 0.533 | C | S | . | . | trans | -112.4 | 98 | -177.5 | -174.7 | 5.6 | 0 | 0 | 0 | 109.9 | R101 R123 S127 F128 | R101-N125 PolarHBondContact NE-OD1 3.33Å; R101-N125 PolarHBondContact NH2-ND2 3.44Å; R101-N125 PolarHBondContact NH2-OD1 3.34Å; R123-N125 PolarHBondContact O-N 3.43Å; N125-S127 PolarHBondContact O-N 2.99Å; N125-S127 PolarHBondContact OD1-N 3.48Å; N125-F128 HydrophobicContact CB-CB 3.93Å; N125-F128 WeakPolarHBondContact ND2-CB 3.23Å; N125-F128 CarbonylContact O-C 3.52Å; N125-F128 PolarHBondContact O-N 3.5Å; N125-F128 VanDerWaalsContact O-O 3.09Å | ||
| 126 | P | 75.9 | Confident | 73.2 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 53% | 0.526 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.7 | -177.5 | 26.3 | -33.4 | 0 | 0 | 0 | 113.1 | D100 N124 F128 | D100-P126 WeakPolarHBondContact O-CG 3.47Å; N124-P126 WeakPolarHBondContact O-CD 3.44Å; P126-F128 VanDerWaalsContact C-N 3.33Å |
| 127 | S | 72.8 | Confident | 70.5 | Confident | 111 Ų | 111 | 101.1 Ų | 101.1 | 78% | 0.776 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -20 | 175.6 | -53.1 | 0 | 0 | 0 | 0 | 113 | N125 | N125-S127 PolarHBondContact O-N 2.99Å; N125-S127 PolarHBondContact OD1-N 3.48Å |
| 128 | F | 66.1 | Low | 68.3 | Low | 136 Ų | 136 | 104.8 Ų | 104.8 | 60% | 0.596 | 59% | 0.592 | S | S | * | * | trans | -100.8 | 89.2 | 175.3 | -169.9 | -93.8 | 0 | 0 | 0 | 107.8 | N125 P126 E130 | N125-F128 HydrophobicContact CB-CB 3.93Å; N125-F128 WeakPolarHBondContact ND2-CB 3.23Å; N125-F128 CarbonylContact O-C 3.52Å; N125-F128 PolarHBondContact O-N 3.5Å; N125-F128 VanDerWaalsContact O-O 3.09Å; P126-F128 VanDerWaalsContact C-N 3.33Å; F128-E130 PolarHBondContact O-N 2.94Å; F128-E130 VanDerWaalsContact O-N 3.07Å | ||
| 129 | R | 61.9 | Low | 65.8 | Low | 227 Ų | 227 | 110.4 Ų | 110.4 | 86% | 0.857 | 61% | 0.614 | S | S | * | * | trans | -67.5 | 107.4 | 160.4 | -66.5 | -149.7 | -173.9 | -149.6 | 5.5 | 106.4 | ||||
| 130 | E | 60.6 | Low | 63.2 | Low | 160 Ų | 160 | 110.7 Ų | 110.7 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 125.9 | 163.2 | -168.9 | 168.5 | -164.1 | 0 | 0 | 106.6 | F128 A132 | F128-E130 PolarHBondContact O-N 2.94Å; F128-E130 VanDerWaalsContact O-N 3.07Å; E130-A132 PolarHBondContact O-N 3.35Å |
| 131 | P | 53.8 | Low | 61.1 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 66% | 0.656 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 116.4 | 171.5 | -22 | 32 | 0 | 0 | 0 | 106.1 | A133 | P131-A133 PolarHBondContact O-N 3.45Š|
| 132 | A | 51.7 | Low | 58.8 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -46 | 122.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | E130 S134 | E130-A132 PolarHBondContact O-N 3.35Å; A132-S134 PolarHBondContact O-N 3.47Å |
| 133 | A | 52.8 | Low | 57.1 | Low | 97 Ų | 97 | 121.6 Ų | 121.6 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | trans | -39.8 | 114.7 | 179 | 0 | 0 | 0 | 0 | 0 | 107.6 | P131 | P131-A133 PolarHBondContact O-N 3.45Š| ||
| 134 | S | 43.9 | Very low | 55.1 | Low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -48.1 | 135.1 | -175.9 | -61.6 | 0 | 0 | 0 | 0 | 108.4 | A132 S136 | A132-S134 PolarHBondContact O-N 3.47Å; S134-S136 PolarHBondContact O-N 3.3Å | ||
| 135 | P | 46.8 | Very low | 53.1 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -54.4 | 132.7 | 177.2 | 23.3 | -31.7 | 0 | 0 | 0 | 108.4 | ||||
| 136 | S | 43.1 | Very low | 51.7 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | -34 | 135.8 | -178.3 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | S134 | S134-S136 PolarHBondContact O-N 3.3Š| ||
| 137 | S | 39 | Very low | 50.2 | Low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -53.5 | 145.5 | 166.8 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 138 | P | 48 | Very low | 48.9 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -62.7 | 152.3 | -176 | -16.9 | 30.2 | 0 | 0 | 0 | 112.9 | ||
| 139 | Q | 39.1 | Very low | 48 | Very low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -5.6 | 127.7 | 178.7 | -87.9 | 93.8 | -29.3 | 0 | 0 | 119.2 | I141 | Q139-I141 PolarHBondContact O-N 2.85Š| ||
| 140 | S | 40.6 | Very low | 47.4 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -49.5 | 113.7 | 153 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 141 | I | 47.4 | Very low | 46.9 | Very low | 135 Ų | 135 | 128 Ų | 128 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -79.8 | 132.8 | 162.1 | -42.6 | 170.1 | 0 | 0 | 0 | 106.1 | Q139 | Q139-I141 PolarHBondContact O-N 2.85Š| ||
| 142 | P | 44.8 | Very low | 46.5 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -58.3 | 139.8 | -176.4 | -21.1 | 31.7 | 0 | 0 | 0 | 112.2 | E144 | P142-E144 PolarHBondContact O-N 3.45Š| ||
| 143 | E | 53.5 | Low | 46.4 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -1.7 | -172.9 | -65.3 | -175 | 145.6 | 0 | 0 | 115.1 | ||
| 144 | E | 48 | Very low | 46.6 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -17.6 | -172.1 | -124.1 | 175.6 | 176.4 | 0 | 0 | 114.5 | P142 | P142-E144 PolarHBondContact O-N 3.45Š|
| 145 | E | 44.3 | Very low | 47.7 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -102.8 | 0.8 | -175.8 | -116.1 | -176.4 | 173.7 | 0 | 0 | 114.5 | ||
| 146 | V | 50.9 | Low | 49 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -11.7 | -171 | -157.4 | 0 | 0 | 0 | 0 | 112.9 | D148 | V146-D148 VanDerWaalsContact C-N 3.34Š|
| 147 | T | 45.3 | Very low | 50.6 | Low | 121 Ų | 121 | 126.1 Ų | 126.1 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -15.3 | 177.3 | 50 | 0 | 0 | 0 | 0 | 113.6 | ||
| 148 | D | 45.3 | Very low | 52.8 | Low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -100.2 | 1.6 | -173.6 | -103.7 | -4.2 | 0 | 0 | 0 | 115.3 | V146 | V146-D148 VanDerWaalsContact C-N 3.34Š|
| 149 | M | 48 | Very low | 54.6 | Low | 106 Ų | 106 | 135.3 Ų | 135.3 | 52% | 0.522 | 70% | 0.701 | S | S | . | * | trans | -100.2 | 14.3 | -173 | -65.3 | 179.7 | 69.5 | 0 | 0 | 115.3 | N151 | M149-N151 PolarHBondContact O-N 3.41Å; M149-N151 VanDerWaalsContact O-N 3.13Å | ||
| 150 | M | 49.2 | Very low | 57 | Low | 171 Ų | 171 | 130.9 Ų | 130.9 | 84% | 0.842 | 68% | 0.682 | S | S | * | * | trans | -72.8 | -1.4 | -177.8 | 79.3 | 81.9 | 74.2 | 0 | 0 | 115.1 | ||||
| 151 | N | 49.7 | Very low | 59.3 | Low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -122.2 | 69.8 | -172.4 | -166.2 | 41.8 | 0 | 0 | 0 | 113.7 | M149 | M149-N151 PolarHBondContact O-N 3.41Å; M149-N151 VanDerWaalsContact O-N 3.13Å | ||
| 152 | G | 44.2 | Very low | 61.2 | Low | 40 Ų | 40 | 126.2 Ų | 126.2 | 41% | 0.412 | 66% | 0.657 | S | S | . | * | trans | -160.6 | 104.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G154 | G152-G154 PolarHBondContact O-N 2.92Å; G152-G154 VanDerWaalsContact O-N 3.1Å | ||
| 153 | K | 51.4 | Low | 63.3 | Low | 211 Ų | 211 | 124 Ų | 124 | 92% | 0.917 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 114.4 | 171.1 | -64 | -172.1 | 177.6 | -169.3 | 0 | 109.5 | ||
| 154 | G | 56.1 | Low | 64.9 | Low | 63 Ų | 63 | 118.4 Ų | 118.4 | 65% | 0.649 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.7 | 16.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | G152 | G152-G154 PolarHBondContact O-N 2.92Å; G152-G154 VanDerWaalsContact O-N 3.1Å |
| 155 | Q | 66.3 | Low | 66.6 | Low | 108 Ų | 108 | 114 Ų | 114 | 51% | 0.505 | 62% | 0.619 | S | S | . | * | trans | -77.7 | 132.8 | 172.1 | -71.2 | -174.1 | -13 | 0 | 0 | 112.2 | V157 | Q155-V157 PolarHBondContact O-N 3.27Š| ||
| 156 | N | 74.2 | Confident | 68.3 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | trans | -63.4 | 117.6 | 170.7 | -71.7 | -33.6 | 0 | 0 | 0 | 109.7 | Y158 | N156-Y158 HydrophobicContact CB-CD2 4.44Å; N156-Y158 HydrophobicContact CB-CE1 4.21Å; N156-Y158 HydrophobicContact CB-CE2 3.71Å; N156-Y158 PolarHBondContact ND2-OH 2.82Å; N156-Y158 WeakPolarHBondContact O-CD2 3.21Å; N156-Y158 WeakPolarHBondContact O-CE2 3.35Å; N156-Y158 PolarHBondContact O-N 3.21Å | ||
| 157 | V | 78.3 | Confident | 69.8 | Low | 61 Ų | 61 | 106.3 Ų | 106.3 | 37% | 0.37 | 59% | 0.585 | S | S | . | * | trans | -82.5 | 106.7 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | Q155 R159 V231 M235 | Q155-V157 PolarHBondContact O-N 3.27Å; V157-R159 VanDerWaalsContact CG1-O 3.31Å; V157-R159 WeakPolarHBondContact CG1-O 3.28Å; V157-V231 HydrophobicContact CB-CG1 4.36Å; V157-V231 HydrophobicContact CG1-CG1 4.01Å; V157-V231 HydrophobicContact CG2-CG1 3.79Å; V157-M235 HydrophobicContact CB-CE 3.42Å; V157-M235 VanDerWaalsContact CB-CE 3.42Å; V157-M235 HydrophobicContact CB-SD 4.05Å; V157-M235 HydrophobicContact CG2-CE 3.59Å; V157-M235 HydrophobicContact CG2-SD 4.07Å | ||
| 158 | Y | 84.1 | Confident | 71.7 | Confident | 206 Ų | 206 | 104 Ų | 104 | 81% | 0.808 | 57% | 0.571 | S | S | * | * | trans | -86.3 | -18.6 | 177.3 | -60.7 | -77.2 | 0 | 0 | 0 | 113.3 | N156 | N156-Y158 HydrophobicContact CB-CD2 4.44Å; N156-Y158 HydrophobicContact CB-CE1 4.21Å; N156-Y158 HydrophobicContact CB-CE2 3.71Å; N156-Y158 PolarHBondContact ND2-OH 2.82Å; N156-Y158 WeakPolarHBondContact O-CD2 3.21Å; N156-Y158 WeakPolarHBondContact O-CE2 3.35Å; N156-Y158 PolarHBondContact O-N 3.21Å | ||
| 159 | R | 85.8 | Confident | 73.4 | Confident | 206 Ų | 206 | 98.9 Ų | 98.9 | 78% | 0.777 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -150.3 | 136.7 | 179.6 | -167.6 | -178.2 | -177.9 | -155.7 | 1.4 | 111.1 | V157 | V157-R159 VanDerWaalsContact CG1-O 3.31Å; V157-R159 WeakPolarHBondContact CG1-O 3.28Å |
| 160 | L | 89.1 | Confident | 74.9 | Confident | 73 Ų | 73 | 100.9 Ų | 100.9 | 38% | 0.382 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -74.4 | 147.7 | 172.5 | -67.2 | 174.8 | 0 | 0 | 0 | 111.1 | V231 L232 | L160-V231 HydrophobicContact CD2-CB 4.33Å; L160-V231 HydrophobicContact CD2-CG1 4.09Å; L160-L232 HydrophobicContact CD1-CD1 4.29Å; L160-L232 HydrophobicContact CD1-CD2 4.47Å; L160-L232 HydrophobicContact CD1-CG 4.47Å; L160-L232 HydrophobicContact CD2-CD2 4.12Å; L160-L232 HydrophobicContact CD2-CG 4.09Å |
| 161 | P | 88.9 | Confident | 76.4 | Confident | 48 Ų | 48 | 96.8 Ų | 96.8 | 31% | 0.312 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 142.3 | 172.6 | -24.7 | 32.6 | 0 | 0 | 0 | 111.6 | E227 S228 V231 | P161-E227 HydrophobicContact CB-CB 4.25Å; P161-E227 HydrophobicContact CG-CB 4.29Å; P161-S228 PolarHBondContact O-OG 2.89Å; P161-V231 HydrophobicContact CG-CG2 4.34Å |
| 162 | P | 87.3 | Confident | 77.8 | Confident | 103 Ų | 103 | 92.1 Ų | 92.1 | 67% | 0.669 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 147.5 | 175.4 | 27.9 | -33.8 | 0 | 0 | 0 | 110.5 | ||
| 163 | P | 89.7 | Confident | 79.6 | Confident | 52 Ų | 52 | 96.3 Ų | 96.3 | 34% | 0.338 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 151.3 | 175.7 | 27.1 | -32.9 | 0 | 0 | 0 | 110.7 | R224 Y225 | P163-R224 VanDerWaalsContact CA-O 3.32Å; P163-R224 WeakPolarHBondContact CA-O 3.38Å; P163-R224 HydrophobicContact CB-CB 4.2Å; P163-Y225 HydrophobicContact CB-CD1 3.89Å; P163-Y225 HydrophobicContact CB-CE1 3.65Å; P163-Y225 HydrophobicContact CB-CE2 4.5Å; P163-Y225 HydrophobicContact CB-CG 4.43Å; P163-Y225 HydrophobicContact CG-CD1 4.49Å; P163-Y225 HydrophobicContact CG-CE1 3.86Å |
| 164 | S | 87.6 | Confident | 81 | Confident | 69 Ų | 69 | 92.5 Ų | 92.5 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 150.7 | 171.9 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | R224 | S164-R224 PolarHBondContact N-O 3.06Å; S164-R224 VanDerWaalsContact N-O 3.11Å; S164-R224 PolarHBondContact O-NE 3.01Å; S164-R224 PolarHBondContact O-NH2 3.37Å; S164-R224 WeakPolarHBondContact OG-CA 3.45Å; S164-R224 WeakPolarHBondContact OG-CB 3.44Å; S164-R224 WeakPolarHBondContact OG-CG 3.37Å |
| 165 | A | 83.1 | Confident | 82.2 | Confident | 87 Ų | 87 | 91.4 Ų | 91.4 | 72% | 0.719 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -57 | 150.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R224 | A165-R224 VanDerWaalsContact C-NH2 3.33Š|
| 166 | C | 80.8 | Confident | 82.9 | Confident | 50 Ų | 50 | 90.9 Ų | 90.9 | 34% | 0.338 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 131.7 | 173.5 | -69 | 0 | 0 | 0 | 0 | 108.5 | L174 R224 | C166-L174 HydrophobicContact CB-CD2 3.98Å; C166-R224 VanDerWaalsContact SG-CZ 3.55Å; C166-R224 PolarHBondContact SG-NH1 3.34Å; C166-R224 PolarHBondContact SG-NH2 3.12Å |
| 167 | P | 81.8 | Confident | 83.2 | Confident | 46 Ų | 46 | 86.5 Ų | 86.5 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 144.8 | 171 | 24.2 | -26.1 | 0 | 0 | 0 | 109.4 | I175 L177 | P167-I175 HydrophobicContact CB-CD1 4.3Å; P167-I175 HydrophobicContact CG-CB 4.33Å; P167-I175 WeakPolarHBondContact O-CB 3.48Å; P167-I175 WeakPolarHBondContact O-CG1 3.3Å; P167-I175 PolarHBondContact O-N 3.18Å; P167-L177 HydrophobicContact CG-CD1 3.72Å; P167-L177 HydrophobicContact CG-CD2 3.58Å; P167-L177 HydrophobicContact CG-CG 3.71Å |
| 168 | V | 84.4 | Confident | 83.4 | Confident | 74 Ų | 74 | 92 Ų | 92 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | B | Isolated β-bridge | trans | -113.7 | 139.4 | -176 | -168.2 | 0 | 0 | 0 | 0 | 108.1 | G172 E173 L174 | V168-G172 VanDerWaalsContact CG1-O 3.23Å; V168-G172 WeakPolarHBondContact CG1-O 3.5Å; V168-E173 WeakPolarHBondContact CA-O 3.4Å; V168-E173 WeakPolarHBondContact CG1-O 3.36Å; V168-L174 HydrophobicContact CG2-CD2 4.13Å |
| 169 | N | 80.9 | Confident | 83.4 | Confident | 41 Ų | 41 | 86.4 Ų | 86.4 | 22% | 0.219 | 49% | 0.492 | C | S | . | . | trans | -65.8 | 162.9 | 171.7 | -74.2 | -36.3 | 0 | 0 | 0 | 110.5 | S171 G172 E173 I175 | N169-S171 PolarHBondContact O-N 3Å; N169-G172 PolarHBondContact O-N 3.04Å; N169-E173 PolarHBondContact N-O 2.95Å; N169-I175 HydrophobicContact CB-CG1 4.35Å; N169-I175 VanDerWaalsContact CG-CG1 3.45Å; N169-I175 WeakPolarHBondContact OD1-CD1 3.47Å; N169-I175 WeakPolarHBondContact OD1-CG1 3.24Å | ||
| 170 | P | 79.9 | Confident | 83.2 | Confident | 147 Ų | 147 | 77.1 Ų | 77.1 | 96% | 0.955 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23.4 | 171.9 | -22.6 | 32.3 | 0 | 0 | 0 | 113.7 | G172 | P170-G172 VanDerWaalsContact C-N 3.32Š|
| 171 | S | 81.4 | Confident | 82.7 | Confident | 85 Ų | 85 | 80.3 Ų | 80.3 | 59% | 0.594 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.5 | 175.8 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | N169 E173 | N169-S171 PolarHBondContact O-N 3Å; S171-E173 VanDerWaalsContact C-N 3.34Å |
| 172 | G | 79.4 | Confident | 81.7 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 85.6 | 0.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V168 N169 P170 | V168-G172 VanDerWaalsContact CG1-O 3.23Å; V168-G172 WeakPolarHBondContact CG1-O 3.5Å; N169-G172 PolarHBondContact O-N 3.04Å; P170-G172 VanDerWaalsContact C-N 3.32Å |
| 173 | E | 81.9 | Confident | 80.6 | Confident | 128 Ų | 128 | 86 Ų | 86 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 139.6 | 179.3 | -66.4 | 178.5 | 178.7 | 0 | 0 | 112.8 | V168 N169 S171 I175 | V168-E173 WeakPolarHBondContact CA-O 3.4Å; V168-E173 WeakPolarHBondContact CG1-O 3.36Å; N169-E173 PolarHBondContact N-O 2.95Å; S171-E173 VanDerWaalsContact C-N 3.34Å; E173-I175 PolarHBondContact O-N 3.4Å |
| 174 | L | 80.1 | Confident | 79.1 | Confident | 131 Ų | 131 | 92.6 Ų | 92.6 | 69% | 0.686 | 52% | 0.516 | S | S | * | . | B | Isolated β-bridge | trans | -66.7 | 126.5 | 177.1 | -64.8 | -178.9 | 0 | 0 | 0 | 111.4 | C166 V168 | C166-L174 HydrophobicContact CB-CD2 3.98Å; V168-L174 HydrophobicContact CG2-CD2 4.13Å |
| 175 | I | 81.9 | Confident | 77.7 | Confident | 39 Ų | 39 | 93.8 Ų | 93.8 | 20% | 0.2 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 120.9 | 178 | -53.7 | 177.1 | 0 | 0 | 0 | 109.7 | P167 N169 E173 L177 | P167-I175 HydrophobicContact CB-CD1 4.3Å; P167-I175 HydrophobicContact CG-CB 4.33Å; P167-I175 WeakPolarHBondContact O-CB 3.48Å; P167-I175 WeakPolarHBondContact O-CG1 3.3Å; P167-I175 PolarHBondContact O-N 3.18Å; N169-I175 HydrophobicContact CB-CG1 4.35Å; N169-I175 VanDerWaalsContact CG-CG1 3.45Å; N169-I175 WeakPolarHBondContact OD1-CD1 3.47Å; N169-I175 WeakPolarHBondContact OD1-CG1 3.24Å; E173-I175 PolarHBondContact O-N 3.4Å; I175-L177 HydrophobicContact CG2-CD2 4.39Å; I175-L177 PolarHBondContact O-N 3.48Å; I175-L177 VanDerWaalsContact O-N 3.08Å |
| 176 | N | 80.8 | Confident | 76.2 | Confident | 98 Ų | 98 | 96.1 Ų | 96.1 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | trans | -74.7 | 99.3 | 169.1 | -169.6 | -22.6 | 0 | 0 | 0 | 110.4 | R178 I179 | N176-R178 PolarHBondContact O-N 3.22Å; N176-R178 WeakPolarHBondContact OD1-CB 3.25Å; N176-R178 PolarHBondContact OD1-N 2.97Å; N176-I179 PolarHBondContact O-N 3.03Å | ||
| 177 | L | 81.2 | Confident | 74.7 | Confident | 17 Ų | 17 | 100.9 Ų | 100.9 | 9% | 0.089 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15.4 | 179.2 | -69.9 | 178.2 | 0 | 0 | 0 | 114.6 | P167 I175 I179 C217 K220 N221 R224 | P167-L177 HydrophobicContact CG-CD1 3.72Å; P167-L177 HydrophobicContact CG-CD2 3.58Å; P167-L177 HydrophobicContact CG-CG 3.71Å; I175-L177 HydrophobicContact CG2-CD2 4.39Å; I175-L177 PolarHBondContact O-N 3.48Å; I175-L177 VanDerWaalsContact O-N 3.08Å; L177-I179 VanDerWaalsContact C-N 3.32Å; L177-C217 CarbonylContact O-C 3.37Å; L177-C217 WeakPolarHBondContact O-CB 3.41Å; L177-C217 VanDerWaalsContact O-O 3.06Å; L177-K220 HydrophobicContact CD2-CD 4.06Å; L177-K220 HydrophobicContact CD2-CG 4.4Å; L177-N221 HydrophobicContact CB-CB 4.01Å; L177-R224 HydrophobicContact CD1-CG 4.34Å |
| 178 | R | 80.9 | Confident | 73.3 | Confident | 177 Ų | 177 | 102.3 Ų | 102.3 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -26.9 | -177.8 | -161.1 | -178.3 | -155.3 | 161.5 | 6.5 | 112.3 | N176 | N176-R178 PolarHBondContact O-N 3.22Å; N176-R178 WeakPolarHBondContact OD1-CB 3.25Å; N176-R178 PolarHBondContact OD1-N 2.97Å |
| 179 | I | 84.6 | Confident | 71.8 | Confident | 88 Ų | 88 | 107.4 Ų | 107.4 | 45% | 0.451 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -112 | 120.1 | -174.8 | -56.7 | 175.4 | 0 | 0 | 0 | 107.3 | N176 L177 Q181 W214 | N176-I179 PolarHBondContact O-N 3.03Å; L177-I179 VanDerWaalsContact C-N 3.32Å; I179-Q181 PolarHBondContact O-N 3.48Å; I179-W214 HydrophobicContact CG2-CH2 4.14Å |
| 180 | P | 82.4 | Confident | 70.6 | Confident | 10 Ų | 10 | 112.4 Ų | 112.4 | 7% | 0.065 | 60% | 0.595 | C | S | . | * | trans | -60.3 | 137 | 173.3 | 22.9 | -29.3 | 0 | 0 | 0 | 110 | T182 K213 W214 C217 | P180-T182 PolarHBondContact O-N 3.19Å; P180-T182 VanDerWaalsContact O-N 3.08Å; P180-K213 HydrophobicContact CB-CB 4.16Å; P180-W214 HydrophobicContact CG-CB 4.48Å; P180-W214 HydrophobicContact CG-CD2 3.62Å; P180-W214 HydrophobicContact CG-CE3 4.27Å; P180-W214 HydrophobicContact CG-CG 3.71Å; P180-W214 HydrophobicContact CG-CZ2 4.2Å; P180-C217 WeakPolarHBondContact CA-SG 3.49Å; P180-C217 HydrophobicContact CB-CB 4.42Å | ||
| 181 | Q | 77.1 | Confident | 69.5 | Low | 141 Ų | 141 | 112.1 Ų | 112.1 | 66% | 0.659 | 59% | 0.591 | S | S | * | * | trans | -59.4 | 117 | 172.2 | -74.1 | -178.3 | -26.6 | 0 | 0 | 108.5 | I179 E183 | I179-Q181 PolarHBondContact O-N 3.48Å; Q181-E183 PolarHBondContact O-N 3.38Å | ||
| 182 | T | 68.2 | Low | 68.6 | Low | 121 Ų | 121 | 115.9 Ų | 115.9 | 74% | 0.742 | 60% | 0.6 | S | S | * | * | trans | -79.5 | 108.5 | 179.5 | 55 | 0 | 0 | 0 | 0 | 108.5 | P180 K184 | P180-T182 PolarHBondContact O-N 3.19Å; P180-T182 VanDerWaalsContact O-N 3.08Å; T182-K184 PolarHBondContact O-N 2.95Å | ||
| 183 | E | 63.9 | Low | 67.8 | Low | 150 Ų | 150 | 120 Ų | 120 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 128.1 | 161 | -71 | 158.5 | -132.1 | 0 | 0 | 107.7 | Q181 K213 | Q181-E183 PolarHBondContact O-N 3.38Å; E183-K213 IonicContact OE1-NZ 3.99Å; E183-K213 PolarHBondContact OE1-NZ 3.22Å; E183-K213 IonicContact OE2-NZ 2.65Å |
| 184 | K | 59 | Low | 66.9 | Low | 189 Ų | 189 | 116 Ų | 116 | 82% | 0.822 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 132.8 | 174.8 | -67.7 | -178.3 | -178.7 | 178.8 | 0 | 107.6 | T182 T186 | T182-K184 PolarHBondContact O-N 2.95Å; K184-T186 PolarHBondContact O-N 3.09Å; K184-T186 VanDerWaalsContact O-N 3.09Å |
| 185 | P | 58.3 | Low | 66.5 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 62% | 0.617 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 120.3 | 178.5 | 24 | -31 | 0 | 0 | 0 | 108.8 | I187 | P185-I187 PolarHBondContact O-N 3.36Š|
| 186 | T | 51.2 | Low | 66.2 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 83% | 0.828 | 62% | 0.618 | S | S | * | * | trans | -62.1 | 103.1 | 166.4 | -53.6 | 0 | 0 | 0 | 0 | 106.5 | K184 S188 | K184-T186 PolarHBondContact O-N 3.09Å; K184-T186 VanDerWaalsContact O-N 3.09Å; T186-S188 PolarHBondContact O-N 3.35Å | ||
| 187 | I | 49.3 | Very low | 66.3 | Low | 150 Ų | 150 | 115.3 Ų | 115.3 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | trans | -69.7 | 85 | 171.5 | -59.1 | 169.8 | 0 | 0 | 0 | 105.6 | P185 K189 | P185-I187 PolarHBondContact O-N 3.36Å; I187-K189 PolarHBondContact O-N 3.03Å | ||
| 188 | S | 53.5 | Low | 66.4 | Low | 76 Ų | 76 | 117.1 Ų | 117.1 | 53% | 0.531 | 64% | 0.636 | S | S | . | * | trans | -66.2 | 115.6 | 165.1 | -166.8 | 0 | 0 | 0 | 0 | 106 | T186 F190 | T186-S188 PolarHBondContact O-N 3.35Å; S188-F190 VanDerWaalsContact C-N 3.32Å; S188-F190 WeakPolarHBondContact O-CD2 3.43Å; S188-F190 PolarHBondContact O-N 3Å | ||
| 189 | K | 51.6 | Low | 66.6 | Low | 182 Ų | 182 | 111.3 Ų | 111.3 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | trans | -62.3 | 98.5 | 172.2 | -68.5 | 178.2 | 179.2 | 178.3 | 0 | 106.5 | I187 T191 | I187-K189 PolarHBondContact O-N 3.03Å; K189-T191 PolarHBondContact O-N 3.49Å | ||
| 190 | F | 55.7 | Low | 66.8 | Low | 145 Ų | 145 | 111.8 Ų | 111.8 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | trans | -68.7 | 104.6 | 172.3 | -77.5 | -83.6 | 0 | 0 | 0 | 107.5 | S188 E192 P194 | S188-F190 VanDerWaalsContact C-N 3.32Å; S188-F190 WeakPolarHBondContact O-CD2 3.43Å; S188-F190 PolarHBondContact O-N 3Å; F190-E192 VanDerWaalsContact C-N 3.25Å; F190-P194 HydrophobicContact CB-CG 4.47Å; F190-P194 HydrophobicContact CD1-CG 3.73Å; F190-P194 HydrophobicContact CE1-CG 4.21Å; F190-P194 HydrophobicContact CG-CG 4.2Å | ||
| 191 | T | 58.2 | Low | 67.1 | Low | 141 Ų | 141 | 114.8 Ų | 114.8 | 87% | 0.865 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -75.8 | -15.2 | 177.9 | -46 | 0 | 0 | 0 | 0 | 112 | K189 | K189-T191 PolarHBondContact O-N 3.49Š|
| 192 | E | 62.5 | Low | 67.7 | Low | 165 Ų | 165 | 112 Ų | 112 | 77% | 0.771 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -124.5 | 139.5 | 175.5 | -75.4 | -178.1 | 155.8 | 0 | 0 | 110.6 | F190 P194 | F190-E192 VanDerWaalsContact C-N 3.25Å; E192-P194 WeakPolarHBondContact O-CD 3.22Å; E192-P194 WeakPolarHBondContact O-CG 3.47Å; E192-P194 VanDerWaalsContact O-N 3.13Å |
| 193 | V | 61.6 | Low | 68.7 | Low | 143 Ų | 143 | 110.4 Ų | 110.4 | 87% | 0.867 | 62% | 0.615 | S | S | * | * | trans | -65.5 | 106.6 | 176 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 194 | P | 63.4 | Low | 70.1 | Confident | 42 Ų | 42 | 107.2 Ų | 107.2 | 27% | 0.273 | 60% | 0.601 | S | S | . | * | trans | -73.4 | 141.1 | -174.5 | -12.6 | 30.5 | 0 | 0 | 0 | 109 | F190 E192 S196 L199 | F190-P194 HydrophobicContact CB-CG 4.47Å; F190-P194 HydrophobicContact CD1-CG 3.73Å; F190-P194 HydrophobicContact CE1-CG 4.21Å; F190-P194 HydrophobicContact CG-CG 4.2Å; E192-P194 WeakPolarHBondContact O-CD 3.22Å; E192-P194 WeakPolarHBondContact O-CG 3.47Å; E192-P194 VanDerWaalsContact O-N 3.13Å; P194-S196 PolarHBondContact O-N 3.11Å; P194-L199 HydrophobicContact CB-CD1 4.12Å; P194-L199 HydrophobicContact CB-CD2 3.86Å; P194-L199 HydrophobicContact CB-CG 3.81Å; P194-L199 HydrophobicContact CG-CD1 4.31Å; P194-L199 HydrophobicContact CG-CD2 3.87Å; P194-L199 HydrophobicContact CG-CG 4.24Å | ||
| 195 | V | 72.4 | Confident | 71.7 | Confident | 120 Ų | 120 | 102.9 Ų | 102.9 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | trans | -54.4 | 125.8 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | G197 A198 L199 | V195-G197 PolarHBondContact O-N 3.36Å; V195-A198 WeakPolarHBondContact O-CB 3.34Å; V195-A198 PolarHBondContact O-N 2.91Å; V195-L199 PolarHBondContact O-N 3.17Å | ||
| 196 | S | 75.6 | Confident | 73.3 | Confident | 82 Ų | 82 | 103.7 Ų | 103.7 | 57% | 0.573 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -47.3 | -41.2 | -171.3 | -176.9 | 0 | 0 | 0 | 0 | 113.7 | P194 A198 L199 I200 | P194-S196 PolarHBondContact O-N 3.11Å; S196-A198 PolarHBondContact O-N 3.49Å; S196-L199 PolarHBondContact O-N 2.93Å; S196-I200 WeakPolarHBondContact O-CD1 3.45Å; S196-I200 PolarHBondContact O-N 2.81Å; S196-I200 VanDerWaalsContact O-N 3.11Å |
| 197 | G | 82.7 | Confident | 75.3 | Confident | 52 Ų | 52 | 103.6 Ų | 103.6 | 54% | 0.536 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.8 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V195 I200 S201 | V195-G197 PolarHBondContact O-N 3.36Å; G197-I200 PolarHBondContact O-N 3.38Å; G197-S201 PolarHBondContact O-N 2.97Å; G197-S201 VanDerWaalsContact O-N 3.16Å; G197-S201 PolarHBondContact O-OG 3.26Å |
| 198 | A | 83.1 | Confident | 77.5 | Confident | 56 Ų | 56 | 102.9 Ų | 102.9 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.1 | -37.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V195 S196 S201 D202 | V195-A198 WeakPolarHBondContact O-CB 3.34Å; V195-A198 PolarHBondContact O-N 2.91Å; S196-A198 PolarHBondContact O-N 3.49Å; A198-S201 WeakPolarHBondContact CA-OG 3.42Å; A198-S201 PolarHBondContact O-N 2.91Å; A198-S201 PolarHBondContact O-OG 2.95Å; A198-D202 PolarHBondContact O-N 2.65Å |
| 199 | L | 85.4 | Confident | 79.4 | Confident | 55 Ų | 55 | 104.9 Ų | 104.9 | 29% | 0.288 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.4 | -72.7 | 172.2 | 0 | 0 | 0 | 112.1 | P194 V195 S196 S201 D202 H203 | P194-L199 HydrophobicContact CB-CD1 4.12Å; P194-L199 HydrophobicContact CB-CD2 3.86Å; P194-L199 HydrophobicContact CB-CG 3.81Å; P194-L199 HydrophobicContact CG-CD1 4.31Å; P194-L199 HydrophobicContact CG-CD2 3.87Å; P194-L199 HydrophobicContact CG-CG 4.24Å; V195-L199 PolarHBondContact O-N 3.17Å; S196-L199 PolarHBondContact O-N 2.93Å; L199-S201 VanDerWaalsContact C-N 3.34Å; L199-S201 PolarHBondContact O-N 3.4Å; L199-D202 PolarHBondContact O-N 2.81Å; L199-H203 WeakPolarHBondContact O-CB 3.47Å; L199-H203 VanDerWaalsContact O-CG 3.31Å; L199-H203 PolarHBondContact O-N 2.89Å |
| 200 | I | 88.8 | Confident | 81.3 | Confident | 97 Ų | 97 | 98.4 Ų | 98.4 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.4 | -81.7 | 114.7 | 0 | 0 | 0 | 110.9 | S196 G197 M204 | S196-I200 WeakPolarHBondContact O-CD1 3.45Å; S196-I200 PolarHBondContact O-N 2.81Å; S196-I200 VanDerWaalsContact O-N 3.11Å; G197-I200 PolarHBondContact O-N 3.38Å; I200-M204 HydrophobicContact CG2-CG 4.41Å; I200-M204 VanDerWaalsContact O-CB 3.32Å; I200-M204 WeakPolarHBondContact O-CB 3.47Å; I200-M204 WeakPolarHBondContact O-CG 3.36Å; I200-M204 PolarHBondContact O-N 3.2Å |
| 201 | S | 88.3 | Confident | 83.1 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.6 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | G197 A198 L199 M204 E205 | G197-S201 PolarHBondContact O-N 2.97Å; G197-S201 VanDerWaalsContact O-N 3.16Å; G197-S201 PolarHBondContact O-OG 3.26Å; A198-S201 WeakPolarHBondContact CA-OG 3.42Å; A198-S201 PolarHBondContact O-N 2.91Å; A198-S201 PolarHBondContact O-OG 2.95Å; L199-S201 VanDerWaalsContact C-N 3.34Å; L199-S201 PolarHBondContact O-N 3.4Å; S201-M204 WeakPolarHBondContact O-CB 3.47Å; S201-M204 PolarHBondContact O-N 2.95Å; S201-E205 PolarHBondContact O-N 3.3Å |
| 202 | D | 88.8 | Confident | 84.8 | Confident | 83 Ų | 83 | 95.8 Ų | 95.8 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 177.9 | 177.1 | 64.7 | 0 | 0 | 0 | 111.3 | A198 L199 M204 E205 R206 | A198-D202 PolarHBondContact O-N 2.65Å; L199-D202 PolarHBondContact O-N 2.81Å; D202-M204 PolarHBondContact O-N 3.45Å; D202-E205 PolarHBondContact O-N 3.12Å; D202-R206 WeakPolarHBondContact O-CB 3.41Å; D202-R206 PolarHBondContact O-N 2.93Å |
| 203 | H | 89.9 | Confident | 86.2 | Confident | 87 Ų | 87 | 92 Ų | 92 | 40% | 0.403 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 174.4 | -75.5 | 174.9 | 0 | 0 | 0 | 111.7 | L199 R206 W207 | L199-H203 WeakPolarHBondContact O-CB 3.47Å; L199-H203 VanDerWaalsContact O-CG 3.31Å; L199-H203 PolarHBondContact O-N 2.89Å; H203-R206 PolarHBondContact O-N 2.87Å; H203-W207 WeakPolarHBondContact O-CB 3.41Å; H203-W207 PolarHBondContact O-N 3.48Å |
| 204 | M | 93.9 | Very high | 87.7 | Confident | 84 Ų | 84 | 91 Ų | 91 | 41% | 0.414 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 178.3 | -78.2 | -88.1 | 56.9 | 0 | 0 | 112.6 | I200 S201 D202 W207 K208 | I200-M204 HydrophobicContact CG2-CG 4.41Å; I200-M204 VanDerWaalsContact O-CB 3.32Å; I200-M204 WeakPolarHBondContact O-CB 3.47Å; I200-M204 WeakPolarHBondContact O-CG 3.36Å; I200-M204 PolarHBondContact O-N 3.2Å; S201-M204 WeakPolarHBondContact O-CB 3.47Å; S201-M204 PolarHBondContact O-N 2.95Å; D202-M204 PolarHBondContact O-N 3.45Å; M204-W207 HydrophobicContact CE-CB 4.42Å; M204-W207 PolarHBondContact O-N 3.07Å; M204-K208 VanDerWaalsContact O-CG 3.32Å; M204-K208 WeakPolarHBondContact O-CG 3.44Å; M204-K208 PolarHBondContact O-N 3.46Å |
| 205 | E | 92.5 | Very high | 89.1 | Confident | 98 Ų | 98 | 95.9 Ų | 95.9 | 46% | 0.458 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.2 | -167.7 | -174.8 | 151.9 | 0 | 0 | 111.1 | S201 D202 W207 K208 K209 | S201-E205 PolarHBondContact O-N 3.3Å; D202-E205 PolarHBondContact O-N 3.12Å; E205-W207 PolarHBondContact O-N 3.42Å; E205-K208 WeakPolarHBondContact O-CB 3.34Å; E205-K208 PolarHBondContact O-N 3.44Å; E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.48Å; E205-K209 WeakPolarHBondContact OE1-CE 3.47Å; E205-K209 IonicContact OE1-NZ 2.77Å; E205-K209 PolarHBondContact OE1-NZ 3.19Å |
| 206 | R | 91.3 | Very high | 90.1 | Very high | 112 Ų | 112 | 95.2 Ų | 95.2 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.6 | -179.3 | 173.5 | 157.4 | -121.1 | -5.4 | 111.8 | D202 H203 K208 K209 I210 | D202-R206 WeakPolarHBondContact O-CB 3.41Å; D202-R206 PolarHBondContact O-N 2.93Å; H203-R206 PolarHBondContact O-N 2.87Å; R206-K208 VanDerWaalsContact C-N 3.34Å; R206-K208 PolarHBondContact O-N 2.67Å; R206-K209 WeakPolarHBondContact O-CB 3.32Å; R206-K209 PolarHBondContact O-N 2.83Å; R206-I210 HydrophobicContact CG-CD1 4Å; R206-I210 WeakPolarHBondContact O-CG1 3.32Å; R206-I210 PolarHBondContact O-N 3.19Å |
| 207 | W | 92.9 | Very high | 90.8 | Very high | 133 Ų | 133 | 92.8 Ų | 92.8 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66 | -34.2 | 177.1 | -81.9 | 115.4 | 0 | 0 | 0 | 113.1 | H203 M204 E205 I210 R211 | H203-W207 WeakPolarHBondContact O-CB 3.41Å; H203-W207 PolarHBondContact O-N 3.48Å; M204-W207 HydrophobicContact CE-CB 4.42Å; M204-W207 PolarHBondContact O-N 3.07Å; E205-W207 PolarHBondContact O-N 3.42Å; W207-I210 HydrophobicContact CD2-CD1 4.37Å; W207-I210 HydrophobicContact CE3-CB 4.3Å; W207-I210 HydrophobicContact CE3-CD1 3.99Å; W207-I210 HydrophobicContact CE3-CG2 4.23Å; W207-I210 HydrophobicContact CZ3-CD1 4.24Å; W207-I210 HydrophobicContact CZ3-CG2 4.24Å; W207-I210 PolarHBondContact O-N 2.86Å; W207-R211 WeakPolarHBondContact O-CG 3.38Å; W207-R211 PolarHBondContact O-N 3.18Å |
| 208 | K | 95 | Very high | 91.2 | Very high | 134 Ų | 134 | 93.3 Ų | 93.3 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.8 | -47.9 | 170.6 | -74.3 | 172.6 | -177.7 | 176.8 | 0 | 110.7 | M204 E205 R206 I210 R211 Q212 | M204-K208 VanDerWaalsContact O-CG 3.32Å; M204-K208 WeakPolarHBondContact O-CG 3.44Å; M204-K208 PolarHBondContact O-N 3.46Å; E205-K208 WeakPolarHBondContact O-CB 3.34Å; E205-K208 PolarHBondContact O-N 3.44Å; R206-K208 VanDerWaalsContact C-N 3.34Å; R206-K208 PolarHBondContact O-N 2.67Å; K208-I210 PolarHBondContact O-N 3Å; K208-R211 PolarHBondContact O-N 3.18Å; K208-Q212 WeakPolarHBondContact O-CB 3.33Å; K208-Q212 PolarHBondContact O-N 3.4Å |
| 209 | K | 93.3 | Very high | 91.6 | Very high | 118 Ų | 118 | 94.2 Ų | 94.2 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 176.6 | -70.7 | 174.6 | -177.2 | 166.6 | 0 | 111.9 | E205 R206 Q212 K213 | E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.48Å; E205-K209 WeakPolarHBondContact OE1-CE 3.47Å; E205-K209 IonicContact OE1-NZ 2.77Å; E205-K209 PolarHBondContact OE1-NZ 3.19Å; R206-K209 WeakPolarHBondContact O-CB 3.32Å; R206-K209 PolarHBondContact O-N 2.83Å; K209-Q212 PolarHBondContact O-N 3.36Å; K209-K213 PolarHBondContact O-N 3.47Å |
| 210 | I | 91.5 | Very high | 91.9 | Very high | 46 Ų | 46 | 97.6 Ų | 97.6 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59 | -54.4 | 177.1 | -69.2 | 165.9 | 0 | 0 | 0 | 110.1 | R206 W207 K208 Q212 K213 W214 | R206-I210 HydrophobicContact CG-CD1 4Å; R206-I210 WeakPolarHBondContact O-CG1 3.32Å; R206-I210 PolarHBondContact O-N 3.19Å; W207-I210 HydrophobicContact CD2-CD1 4.37Å; W207-I210 HydrophobicContact CE3-CB 4.3Å; W207-I210 HydrophobicContact CE3-CD1 3.99Å; W207-I210 HydrophobicContact CE3-CG2 4.23Å; W207-I210 HydrophobicContact CZ3-CD1 4.24Å; W207-I210 HydrophobicContact CZ3-CG2 4.24Å; W207-I210 PolarHBondContact O-N 2.86Å; K208-I210 PolarHBondContact O-N 3Å; I210-Q212 PolarHBondContact O-N 2.94Å; I210-K213 PolarHBondContact O-N 3.4Å; I210-K213 VanDerWaalsContact O-N 3.12Å; I210-W214 VanDerWaalsContact O-CD1 3.23Å; I210-W214 PolarHBondContact O-N 3Å |
| 211 | R | 93.3 | Very high | 92 | Very high | 139 Ų | 139 | 94.8 Ų | 94.8 | 53% | 0.525 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.6 | -38.9 | 179 | -73.8 | -170.2 | -64.6 | -99.6 | 1.3 | 112.4 | W207 K208 W214 K215 | W207-R211 WeakPolarHBondContact O-CG 3.38Å; W207-R211 PolarHBondContact O-N 3.18Å; K208-R211 PolarHBondContact O-N 3.18Å; R211-W214 PolarHBondContact O-N 3.11Å; R211-K215 PolarHBondContact O-N 3.39Å |
| 212 | Q | 93.9 | Very high | 92.2 | Very high | 92 Ų | 92 | 96.6 Ų | 96.6 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 176.5 | -175.6 | 61 | 24.5 | 0 | 0 | 111.6 | K208 K209 I210 W214 K215 E216 | K208-Q212 WeakPolarHBondContact O-CB 3.33Å; K208-Q212 PolarHBondContact O-N 3.4Å; K209-Q212 PolarHBondContact O-N 3.36Å; I210-Q212 PolarHBondContact O-N 2.94Å; Q212-W214 VanDerWaalsContact C-N 3.31Å; Q212-W214 PolarHBondContact O-N 3.47Å; Q212-K215 WeakPolarHBondContact O-CB 3.14Å; Q212-K215 PolarHBondContact O-N 3.49Å; Q212-K215 VanDerWaalsContact O-N 3.11Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.42Å; Q212-E216 PolarHBondContact NE2-OE1 3.42Å; Q212-E216 WeakPolarHBondContact O-CG 3.43Å; Q212-E216 PolarHBondContact O-N 2.69Å |
| 213 | K | 92.9 | Very high | 92.4 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.4 | -43.6 | 174.2 | -75.1 | -172.8 | 174.9 | -173.4 | 0 | 111.7 | P180 E183 K209 I210 K215 E216 C217 | P180-K213 HydrophobicContact CB-CB 4.16Å; E183-K213 IonicContact OE1-NZ 3.99Å; E183-K213 PolarHBondContact OE1-NZ 3.22Å; E183-K213 IonicContact OE2-NZ 2.65Å; K209-K213 PolarHBondContact O-N 3.47Å; I210-K213 PolarHBondContact O-N 3.4Å; I210-K213 VanDerWaalsContact O-N 3.12Å; K213-K215 PolarHBondContact O-N 2.91Å; K213-E216 PolarHBondContact O-N 3.49Å; K213-C217 WeakPolarHBondContact O-CB 3.32Å; K213-C217 PolarHBondContact O-N 3.09Å; K213-C217 PolarHBondContact O-SG 3.35Å |
| 214 | W | 92.5 | Very high | 92.5 | Very high | 123 Ų | 123 | 97.2 Ų | 97.2 | 47% | 0.466 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.4 | -82.2 | 91.5 | 0 | 0 | 0 | 112.5 | I179 P180 I210 R211 Q212 S218 | I179-W214 HydrophobicContact CG2-CH2 4.14Å; P180-W214 HydrophobicContact CG-CB 4.48Å; P180-W214 HydrophobicContact CG-CD2 3.62Å; P180-W214 HydrophobicContact CG-CE3 4.27Å; P180-W214 HydrophobicContact CG-CG 3.71Å; P180-W214 HydrophobicContact CG-CZ2 4.2Å; I210-W214 VanDerWaalsContact O-CD1 3.23Å; I210-W214 PolarHBondContact O-N 3Å; R211-W214 PolarHBondContact O-N 3.11Å; Q212-W214 VanDerWaalsContact C-N 3.31Å; Q212-W214 PolarHBondContact O-N 3.47Å; W214-S218 WeakPolarHBondContact O-CB 3.2Å; W214-S218 PolarHBondContact O-N 3.16Å |
| 215 | K | 93.4 | Very high | 92.5 | Very high | 145 Ų | 145 | 97.9 Ų | 97.9 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 177.4 | -172.8 | 178.6 | -179.5 | -179.4 | 0 | 111.7 | R211 Q212 K213 S218 N219 | R211-K215 PolarHBondContact O-N 3.39Å; Q212-K215 WeakPolarHBondContact O-CB 3.14Å; Q212-K215 PolarHBondContact O-N 3.49Å; Q212-K215 VanDerWaalsContact O-N 3.11Å; K213-K215 PolarHBondContact O-N 2.91Å; K215-S218 PolarHBondContact O-N 2.95Å; K215-N219 WeakPolarHBondContact O-CB 3.32Å; K215-N219 PolarHBondContact O-N 2.9Å |
| 216 | E | 92.7 | Very high | 92.6 | Very high | 105 Ų | 105 | 95.6 Ų | 95.6 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 178.9 | -73.6 | 169.7 | -171.4 | 0 | 0 | 112.3 | Q212 K213 S218 N219 K220 | Q212-E216 WeakPolarHBondContact CG-OE1 3.42Å; Q212-E216 PolarHBondContact NE2-OE1 3.42Å; Q212-E216 WeakPolarHBondContact O-CG 3.43Å; Q212-E216 PolarHBondContact O-N 2.69Å; K213-E216 PolarHBondContact O-N 3.49Å; E216-S218 PolarHBondContact O-N 3.27Å; E216-N219 PolarHBondContact O-N 3.21Å; E216-K220 WeakPolarHBondContact O-CB 3.37Å; E216-K220 PolarHBondContact O-N 3.28Å |
| 217 | C | 90.4 | Very high | 92.6 | Very high | 32 Ų | 32 | 94.6 Ų | 94.6 | 22% | 0.216 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.9 | -78.3 | 0 | 0 | 0 | 0 | 111.7 | L177 P180 K213 N219 K220 N221 | L177-C217 CarbonylContact O-C 3.37Å; L177-C217 WeakPolarHBondContact O-CB 3.41Å; L177-C217 VanDerWaalsContact O-O 3.06Å; P180-C217 WeakPolarHBondContact CA-SG 3.49Å; P180-C217 HydrophobicContact CB-CB 4.42Å; K213-C217 WeakPolarHBondContact O-CB 3.32Å; K213-C217 PolarHBondContact O-N 3.09Å; K213-C217 PolarHBondContact O-SG 3.35Å; C217-N219 VanDerWaalsContact C-N 3.33Å; C217-N219 PolarHBondContact O-N 3.01Å; C217-K220 PolarHBondContact O-N 2.76Å; C217-N221 PolarHBondContact O-N 3.36Å |
| 218 | S | 90.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 88.7 Ų | 88.7 | 43% | 0.434 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 174.7 | -173 | 0 | 0 | 0 | 0 | 112.1 | W214 K215 E216 N221 Q222 | W214-S218 WeakPolarHBondContact O-CB 3.2Å; W214-S218 PolarHBondContact O-N 3.16Å; K215-S218 PolarHBondContact O-N 2.95Å; E216-S218 PolarHBondContact O-N 3.27Å; S218-N221 PolarHBondContact O-N 2.95Å; S218-Q222 PolarHBondContact O-N 3.35Å |
| 219 | N | 92.3 | Very high | 92.4 | Very high | 76 Ų | 76 | 84.9 Ų | 84.9 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 177.6 | -172.1 | -45 | 0 | 0 | 0 | 111.2 | K215 E216 C217 N221 Q222 K223 | K215-N219 WeakPolarHBondContact O-CB 3.32Å; K215-N219 PolarHBondContact O-N 2.9Å; E216-N219 PolarHBondContact O-N 3.21Å; C217-N219 VanDerWaalsContact C-N 3.33Å; C217-N219 PolarHBondContact O-N 3.01Å; N219-N221 VanDerWaalsContact C-N 3.28Å; N219-N221 PolarHBondContact O-N 3.07Å; N219-Q222 WeakPolarHBondContact O-CB 3.38Å; N219-Q222 PolarHBondContact O-N 3.01Å; N219-K223 WeakPolarHBondContact O-CG 3.45Å; N219-K223 PolarHBondContact O-N 3.31Å; N219-K223 WeakPolarHBondContact OD1-CE 3.43Å |
| 220 | K | 91.1 | Very high | 92.4 | Very high | 126 Ų | 126 | 85 Ų | 85 | 55% | 0.548 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 176 | -171.7 | 173.3 | -179.6 | 177.8 | 0 | 111.7 | L177 E216 C217 | L177-K220 HydrophobicContact CD2-CD 4.06Å; L177-K220 HydrophobicContact CD2-CG 4.4Å; E216-K220 WeakPolarHBondContact O-CB 3.37Å; E216-K220 PolarHBondContact O-N 3.28Å; C217-K220 PolarHBondContact O-N 2.76Å |
| 221 | N | 91.9 | Very high | 92.4 | Very high | 38 Ų | 38 | 84.3 Ų | 84.3 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 173.2 | -175.3 | 70.8 | 0 | 0 | 0 | 112 | L177 C217 S218 N219 K223 R224 | L177-N221 HydrophobicContact CB-CB 4.01Å; C217-N221 PolarHBondContact O-N 3.36Å; S218-N221 PolarHBondContact O-N 2.95Å; N219-N221 VanDerWaalsContact C-N 3.28Å; N219-N221 PolarHBondContact O-N 3.07Å; N221-K223 VanDerWaalsContact C-N 3.33Å; N221-K223 PolarHBondContact O-N 2.92Å; N221-R224 WeakPolarHBondContact O-CB 3.01Å; N221-R224 PolarHBondContact O-N 3.17Å |
| 222 | Q | 91.6 | Very high | 92.3 | Very high | 111 Ų | 111 | 82.1 Ų | 82.1 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 178.4 | -173.1 | 176.6 | 5 | 0 | 0 | 112.5 | S218 N219 R224 Y225 I229 | S218-Q222 PolarHBondContact O-N 3.35Å; N219-Q222 WeakPolarHBondContact O-CB 3.38Å; N219-Q222 PolarHBondContact O-N 3.01Å; Q222-R224 PolarHBondContact O-N 2.99Å; Q222-R224 VanDerWaalsContact O-N 3.08Å; Q222-Y225 PolarHBondContact O-N 2.97Å; Q222-I229 HydrophobicContact CG-CD1 4.06Å |
| 223 | K | 92.6 | Very high | 92.1 | Very high | 146 Ų | 146 | 83.9 Ų | 83.9 | 64% | 0.635 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.3 | -23.5 | 176.7 | -75.9 | -179.6 | 177.2 | -177.4 | 0 | 113.5 | N219 N221 Y225 S226 | N219-K223 WeakPolarHBondContact O-CG 3.45Å; N219-K223 PolarHBondContact O-N 3.31Å; N219-K223 WeakPolarHBondContact OD1-CE 3.43Å; N221-K223 VanDerWaalsContact C-N 3.33Å; N221-K223 PolarHBondContact O-N 2.92Å; K223-Y225 PolarHBondContact O-N 2.92Å; K223-S226 WeakPolarHBondContact O-CB 3.35Å; K223-S226 PolarHBondContact O-N 3.21Å; K223-S226 VanDerWaalsContact O-N 3.12Å; K223-S226 PolarHBondContact O-OG 3.27Å |
| 224 | R | 93.3 | Very high | 91.9 | Very high | 36 Ų | 36 | 85.1 Ų | 85.1 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.8 | 175 | -64.2 | -177.5 | 53.5 | -173.5 | -0.5 | 113.7 | P163 S164 A165 C166 L177 N221 Q222 | P163-R224 VanDerWaalsContact CA-O 3.32Å; P163-R224 WeakPolarHBondContact CA-O 3.38Å; P163-R224 HydrophobicContact CB-CB 4.2Å; S164-R224 PolarHBondContact N-O 3.06Å; S164-R224 VanDerWaalsContact N-O 3.11Å; S164-R224 PolarHBondContact O-NE 3.01Å; S164-R224 PolarHBondContact O-NH2 3.37Å; S164-R224 WeakPolarHBondContact OG-CA 3.45Å; S164-R224 WeakPolarHBondContact OG-CB 3.44Å; S164-R224 WeakPolarHBondContact OG-CG 3.37Å; A165-R224 VanDerWaalsContact C-NH2 3.33Å; C166-R224 VanDerWaalsContact SG-CZ 3.55Å; C166-R224 PolarHBondContact SG-NH1 3.34Å; C166-R224 PolarHBondContact SG-NH2 3.12Å; L177-R224 HydrophobicContact CD1-CG 4.34Å; N221-R224 WeakPolarHBondContact O-CB 3.01Å; N221-R224 PolarHBondContact O-N 3.17Å; Q222-R224 PolarHBondContact O-N 2.99Å; Q222-R224 VanDerWaalsContact O-N 3.08Å |
| 225 | Y | 93.6 | Very high | 91.6 | Very high | 99 Ų | 99 | 82 Ų | 82 | 39% | 0.388 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 20 | 178.6 | -57.4 | -89.1 | 0 | 0 | 0 | 111.8 | P163 Q222 K223 E227 S228 I229 | P163-Y225 HydrophobicContact CB-CD1 3.89Å; P163-Y225 HydrophobicContact CB-CE1 3.65Å; P163-Y225 HydrophobicContact CB-CE2 4.5Å; P163-Y225 HydrophobicContact CB-CG 4.43Å; P163-Y225 HydrophobicContact CG-CD1 4.49Å; P163-Y225 HydrophobicContact CG-CE1 3.86Å; Q222-Y225 PolarHBondContact O-N 2.97Å; K223-Y225 PolarHBondContact O-N 2.92Å; Y225-E227 VanDerWaalsContact C-N 3.3Å; Y225-E227 PolarHBondContact O-N 3.13Å; Y225-S228 PolarHBondContact O-N 3.38Å; Y225-I229 WeakPolarHBondContact O-CB 3.32Å; Y225-I229 VanDerWaalsContact O-CG1 3.24Å; Y225-I229 WeakPolarHBondContact O-CG1 3.17Å; Y225-I229 PolarHBondContact O-N 3.48Å |
| 226 | S | 93.4 | Very high | 91.4 | Very high | 50 Ų | 50 | 81.2 Ų | 81.2 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.7 | -44.6 | -175.9 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | K223 I229 K230 | K223-S226 WeakPolarHBondContact O-CB 3.35Å; K223-S226 PolarHBondContact O-N 3.21Å; K223-S226 VanDerWaalsContact O-N 3.12Å; K223-S226 PolarHBondContact O-OG 3.27Å; S226-I229 PolarHBondContact O-N 3.44Å; S226-K230 WeakPolarHBondContact O-CG 3.39Å; S226-K230 PolarHBondContact O-N 3.1Å |
| 227 | E | 91.3 | Very high | 91.1 | Very high | 91 Ų | 91 | 82.4 Ų | 82.4 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | -179.3 | -56.6 | -43.8 | 113.5 | 0 | 0 | 111.3 | P161 Y225 I229 K230 V231 | P161-E227 HydrophobicContact CB-CB 4.25Å; P161-E227 HydrophobicContact CG-CB 4.29Å; Y225-E227 VanDerWaalsContact C-N 3.3Å; Y225-E227 PolarHBondContact O-N 3.13Å; E227-I229 VanDerWaalsContact C-N 3.27Å; E227-I229 PolarHBondContact O-N 3.5Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 3.22Å; E227-K230 VanDerWaalsContact O-N 3.13Å; E227-K230 WeakPolarHBondContact OE1-CE 3.39Å; E227-K230 IonicContact OE1-NZ 2.89Å; E227-K230 PolarHBondContact OE1-NZ 3.35Å; E227-K230 WeakPolarHBondContact OE2-CD 3.17Å; E227-K230 IonicContact OE2-NZ 2.85Å; E227-K230 PolarHBondContact OE2-NZ 2.96Å; E227-V231 WeakPolarHBondContact O-CG2 3.43Å; E227-V231 PolarHBondContact O-N 3.46Å |
| 228 | S | 92.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 85.8 Ų | 85.8 | 6% | 0.056 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.3 | -40 | 174.2 | -36 | 0 | 0 | 0 | 0 | 111.6 | P161 Y225 V231 L232 | P161-S228 PolarHBondContact O-OG 2.89Å; Y225-S228 PolarHBondContact O-N 3.38Å; S228-V231 PolarHBondContact O-N 3.24Å; S228-L232 VanDerWaalsContact O-CG 3.3Å; S228-L232 WeakPolarHBondContact O-CG 3.34Å; S228-L232 PolarHBondContact O-N 3.15Å |
| 229 | I | 92.9 | Very high | 90.1 | Very high | 55 Ų | 55 | 91.7 Ų | 91.7 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 176.8 | -68.6 | 164.2 | 0 | 0 | 0 | 111.3 | Q222 Y225 S226 E227 L232 K233 | Q222-I229 HydrophobicContact CG-CD1 4.06Å; Y225-I229 WeakPolarHBondContact O-CB 3.32Å; Y225-I229 VanDerWaalsContact O-CG1 3.24Å; Y225-I229 WeakPolarHBondContact O-CG1 3.17Å; Y225-I229 PolarHBondContact O-N 3.48Å; S226-I229 PolarHBondContact O-N 3.44Å; E227-I229 VanDerWaalsContact C-N 3.27Å; E227-I229 PolarHBondContact O-N 3.5Å; I229-L232 PolarHBondContact O-N 3.04Å; I229-K233 HydrophobicContact CG2-CD 4.33Å; I229-K233 HydrophobicContact CG2-CG 4.49Å; I229-K233 WeakPolarHBondContact O-CG 3.12Å; I229-K233 PolarHBondContact O-N 3.45Å |
| 230 | K | 92.4 | Very high | 89.4 | Confident | 119 Ų | 119 | 93.2 Ų | 93.2 | 52% | 0.517 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.3 | -72.4 | 172 | -171.5 | 166.2 | 0 | 111 | S226 E227 L232 K233 E234 | S226-K230 WeakPolarHBondContact O-CG 3.39Å; S226-K230 PolarHBondContact O-N 3.1Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 3.22Å; E227-K230 VanDerWaalsContact O-N 3.13Å; E227-K230 WeakPolarHBondContact OE1-CE 3.39Å; E227-K230 IonicContact OE1-NZ 2.89Å; E227-K230 PolarHBondContact OE1-NZ 3.35Å; E227-K230 WeakPolarHBondContact OE2-CD 3.17Å; E227-K230 IonicContact OE2-NZ 2.85Å; E227-K230 PolarHBondContact OE2-NZ 2.96Å; K230-L232 VanDerWaalsContact C-N 3.33Å; K230-L232 PolarHBondContact O-N 3.42Å; K230-K233 WeakPolarHBondContact O-CB 3.38Å; K230-K233 PolarHBondContact O-N 3.48Å; K230-K233 VanDerWaalsContact O-N 3.12Å; K230-E234 PolarHBondContact O-N 3.03Å |
| 231 | V | 90.9 | Very high | 87.7 | Confident | 33 Ų | 33 | 98 Ų | 98 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 177 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | V157 L160 P161 E227 S228 K233 E234 M235 | V157-V231 HydrophobicContact CB-CG1 4.36Å; V157-V231 HydrophobicContact CG1-CG1 4.01Å; V157-V231 HydrophobicContact CG2-CG1 3.79Å; L160-V231 HydrophobicContact CD2-CB 4.33Å; L160-V231 HydrophobicContact CD2-CG1 4.09Å; P161-V231 HydrophobicContact CG-CG2 4.34Å; E227-V231 WeakPolarHBondContact O-CG2 3.43Å; E227-V231 PolarHBondContact O-N 3.46Å; S228-V231 PolarHBondContact O-N 3.24Å; V231-K233 VanDerWaalsContact C-N 3.3Å; V231-K233 PolarHBondContact O-N 3.27Å; V231-E234 PolarHBondContact O-N 2.89Å; V231-M235 HydrophobicContact CG1-CG 4.42Å; V231-M235 HydrophobicContact CG1-SD 4.09Å; V231-M235 WeakPolarHBondContact O-CB 3.47Å; V231-M235 VanDerWaalsContact O-CG 3.28Å; V231-M235 WeakPolarHBondContact O-CG 3.47Å; V231-M235 PolarHBondContact O-N 3.5Å |
| 232 | L | 90.9 | Very high | 87.5 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 48% | 0.482 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -34.9 | 178.3 | -69.7 | 172.9 | 0 | 0 | 0 | 113.1 | L160 S228 I229 K230 K236 | L160-L232 HydrophobicContact CD1-CD1 4.29Å; L160-L232 HydrophobicContact CD1-CD2 4.47Å; L160-L232 HydrophobicContact CD1-CG 4.47Å; L160-L232 HydrophobicContact CD2-CD2 4.12Å; L160-L232 HydrophobicContact CD2-CG 4.09Å; S228-L232 VanDerWaalsContact O-CG 3.3Å; S228-L232 WeakPolarHBondContact O-CG 3.34Å; S228-L232 PolarHBondContact O-N 3.15Å; I229-L232 PolarHBondContact O-N 3.04Å; K230-L232 VanDerWaalsContact C-N 3.33Å; K230-L232 PolarHBondContact O-N 3.42Å; L232-K236 WeakPolarHBondContact O-CB 3.35Å; L232-K236 PolarHBondContact O-N 3.09Å |
| 233 | K | 90.3 | Very high | 87.3 | Confident | 130 Ų | 130 | 100.5 Ų | 100.5 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.3 | -46.5 | 175.8 | -76.9 | 179.2 | 175.9 | -169.5 | 0 | 111.7 | I229 K230 V231 M235 K236 E237 | I229-K233 HydrophobicContact CG2-CD 4.33Å; I229-K233 HydrophobicContact CG2-CG 4.49Å; I229-K233 WeakPolarHBondContact O-CG 3.12Å; I229-K233 PolarHBondContact O-N 3.45Å; K230-K233 WeakPolarHBondContact O-CB 3.38Å; K230-K233 PolarHBondContact O-N 3.48Å; K230-K233 VanDerWaalsContact O-N 3.12Å; V231-K233 VanDerWaalsContact C-N 3.3Å; V231-K233 PolarHBondContact O-N 3.27Å; K233-M235 VanDerWaalsContact C-N 3.33Å; K233-M235 PolarHBondContact O-N 3.09Å; K233-K236 WeakPolarHBondContact O-CB 3.42Å; K233-K236 PolarHBondContact O-N 3.15Å; K233-E237 WeakPolarHBondContact O-CG 3.47Å; K233-E237 PolarHBondContact O-N 2.92Å |
| 234 | E | 89.4 | Confident | 87 | Confident | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 177 | -175.1 | 177.2 | -176.8 | 0 | 0 | 110.9 | K230 V231 K236 E237 L238 | K230-E234 PolarHBondContact O-N 3.03Å; V231-E234 PolarHBondContact O-N 2.89Å; E234-K236 VanDerWaalsContact C-N 3.34Å; E234-K236 PolarHBondContact O-N 3.13Å; E234-E237 PolarHBondContact O-N 3.49Å; E234-L238 WeakPolarHBondContact O-CG 3.46Å; E234-L238 PolarHBondContact O-N 3.42Å |
| 235 | M | 86.1 | Confident | 86.7 | Confident | 56 Ų | 56 | 101.6 Ų | 101.6 | 28% | 0.276 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58 | -45 | 174 | -71.2 | -178.6 | 118.7 | 0 | 0 | 112 | V157 V231 K233 E237 L238 Y239 | V157-M235 HydrophobicContact CB-CE 3.42Å; V157-M235 VanDerWaalsContact CB-CE 3.42Å; V157-M235 HydrophobicContact CB-SD 4.05Å; V157-M235 HydrophobicContact CG2-CE 3.59Å; V157-M235 HydrophobicContact CG2-SD 4.07Å; V231-M235 HydrophobicContact CG1-CG 4.42Å; V231-M235 HydrophobicContact CG1-SD 4.09Å; V231-M235 WeakPolarHBondContact O-CB 3.47Å; V231-M235 VanDerWaalsContact O-CG 3.28Å; V231-M235 WeakPolarHBondContact O-CG 3.47Å; V231-M235 PolarHBondContact O-N 3.5Å; K233-M235 VanDerWaalsContact C-N 3.33Å; K233-M235 PolarHBondContact O-N 3.09Å; M235-E237 VanDerWaalsContact C-N 3.35Å; M235-E237 PolarHBondContact O-N 3.35Å; M235-L238 PolarHBondContact O-N 3.18Å; M235-Y239 VanDerWaalsContact O-CD2 3.25Å; M235-Y239 WeakPolarHBondContact O-CD2 3.4Å; M235-Y239 PolarHBondContact O-N 3.44Å |
| 236 | K | 87.7 | Confident | 86.2 | Confident | 129 Ų | 129 | 101.8 Ų | 101.8 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60 | -45.4 | 177.2 | -175 | -178.7 | 177.4 | -69 | 0 | 111.6 | L232 K233 E234 L238 Y239 D240 | L232-K236 WeakPolarHBondContact O-CB 3.35Å; L232-K236 PolarHBondContact O-N 3.09Å; K233-K236 WeakPolarHBondContact O-CB 3.42Å; K233-K236 PolarHBondContact O-N 3.15Å; E234-K236 VanDerWaalsContact C-N 3.34Å; E234-K236 PolarHBondContact O-N 3.13Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 3.38Å; K236-Y239 PolarHBondContact O-N 3.09Å; K236-D240 IonicContact NZ-OD2 2.67Å; K236-D240 PolarHBondContact NZ-OD2 3.29Å; K236-D240 PolarHBondContact O-N 3.23Å; K236-D240 VanDerWaalsContact O-N 3.17Å |
| 237 | E | 88.1 | Confident | 85.8 | Confident | 130 Ų | 130 | 105.3 Ų | 105.3 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.3 | -30.8 | -179.8 | -71.9 | 174.3 | -175.5 | 0 | 0 | 112.7 | K233 E234 M235 Y239 H241 | K233-E237 WeakPolarHBondContact O-CG 3.47Å; K233-E237 PolarHBondContact O-N 2.92Å; E234-E237 PolarHBondContact O-N 3.49Å; M235-E237 VanDerWaalsContact C-N 3.35Å; M235-E237 PolarHBondContact O-N 3.35Å; E237-Y239 VanDerWaalsContact C-N 3.33Å; E237-Y239 PolarHBondContact O-N 3.35Å; E237-H241 PolarHBondContact O-CD2 3.29Å |
| 238 | L | 83.1 | Confident | 85.4 | Confident | 103 Ų | 103 | 106.3 Ų | 106.3 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.3 | -25.8 | 175.1 | -70.3 | 170.9 | 0 | 0 | 0 | 114 | E234 M235 K236 | E234-L238 WeakPolarHBondContact O-CG 3.46Å; E234-L238 PolarHBondContact O-N 3.42Å; M235-L238 PolarHBondContact O-N 3.18Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 3.38Å |
| 239 | Y | 76.4 | Confident | 84.8 | Confident | 187 Ų | 187 | 113.8 Ų | 113.8 | 73% | 0.733 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -100.5 | -11.5 | -178.4 | -76.4 | -75.6 | 0 | 0 | 0 | 114.1 | M235 K236 E237 H241 | M235-Y239 VanDerWaalsContact O-CD2 3.25Å; M235-Y239 WeakPolarHBondContact O-CD2 3.4Å; M235-Y239 PolarHBondContact O-N 3.44Å; K236-Y239 PolarHBondContact O-N 3.09Å; E237-Y239 VanDerWaalsContact C-N 3.33Å; E237-Y239 PolarHBondContact O-N 3.35Å; Y239-H241 PolarHBondContact O-N 3.45Å |
| 240 | D | 76.9 | Confident | 84.1 | Confident | 107 Ų | 107 | 118.8 Ų | 118.8 | 57% | 0.572 | 55% | 0.552 | S | S | * | * | trans | -85.2 | 7 | 176.9 | -79.9 | -18.9 | 0 | 0 | 0 | 112.8 | K236 | K236-D240 IonicContact NZ-OD2 2.67Å; K236-D240 PolarHBondContact NZ-OD2 3.29Å; K236-D240 PolarHBondContact O-N 3.23Å; K236-D240 VanDerWaalsContact O-N 3.17Å | ||
| 241 | H | 57.1 | Low | 83.4 | Confident | 228 Ų | 228 | 118.7 Ų | 118.7 | 100% | 1.056 | 56% | 0.555 | S | S | * | * | trans | -113.1 | 0 | 173.4 | -73.1 | -49.9 | 0 | 0 | 0 | 111.1 | E237 Y239 | E237-H241 PolarHBondContact O-CD2 3.29Å; Y239-H241 PolarHBondContact O-N 3.45Å |
Retrieved 241 of 241 residues in 114.1 ms
(Link to these results)