| 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 | 49.6 | Very low | 56.1 | Low | 243 Ų | 243 | 169.7 Ų | 169.7 | 100% | 1.197 | 80% | 0.804 | S | S | * | * | 0 | 108.4 | 0 | -86.6 | 174.9 | 131.9 | 0 | 0 | 107.7 | |||||
| 2 | Y | 49.1 | Very low | 55.6 | Low | 232 Ų | 232 | 169.8 Ų | 169.8 | 91% | 0.91 | 80% | 0.803 | S | S | * | * | trans | -83.6 | 120 | 176.2 | -68.3 | -82.1 | 0 | 0 | 0 | 108.8 | R4 | Y2-R4 PolarHBondContact O-N 3.13Š| ||
| 3 | D | 56.5 | Low | 54.9 | Low | 113 Ų | 113 | 168.5 Ų | 168.5 | 60% | 0.604 | 80% | 0.804 | S | S | * | * | trans | -74.1 | 117.4 | 176.3 | -167.1 | -11.8 | 0 | 0 | 0 | 109.3 | R5 | D3-R5 PolarHBondContact O-N 3.25Å; D3-R5 PolarHBondContact OD1-N 3.11Å | ||
| 4 | R | 60.1 | Low | 54.5 | Low | 242 Ų | 242 | 168.6 Ų | 168.6 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -2.5 | -173.9 | -71.1 | -173.6 | -180 | -178.6 | 0.3 | 113.7 | Y2 | Y2-R4 PolarHBondContact O-N 3.13Š|
| 5 | R | 63.3 | Low | 54 | Low | 222 Ų | 222 | 168.5 Ų | 168.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -3.9 | -175.1 | -58.4 | -174.4 | -161.2 | -149.7 | 3.8 | 114.8 | D3 | D3-R5 PolarHBondContact O-N 3.25Å; D3-R5 PolarHBondContact OD1-N 3.11Å |
| 6 | V | 61.5 | Low | 53.5 | Low | 103 Ų | 103 | 166.6 Ų | 166.6 | 62% | 0.624 | 80% | 0.804 | S | S | * | * | trans | -105.1 | 93.8 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | R8 | V6-R8 HydrophobicContact CG1-CG 4.42Š| ||
| 7 | V | 59.5 | Low | 52.9 | Low | 129 Ų | 129 | 163.2 Ų | 163.2 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -93.9 | 107.2 | 171.4 | -178.8 | 0 | 0 | 0 | 0 | 108 | G9 | V7-G9 PolarHBondContact O-N 3.09Š| ||
| 8 | R | 54.1 | Low | 52.4 | Low | 243 Ų | 243 | 159.5 Ų | 159.5 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | -90.4 | 89.7 | 164.7 | -68.6 | -173.9 | 179.4 | 138.3 | -0.7 | 107.6 | V6 | V6-R8 HydrophobicContact CG1-CG 4.42Š| ||
| 9 | G | 57 | Low | 52.1 | Low | 51 Ų | 51 | 161.1 Ų | 161.1 | 53% | 0.526 | 79% | 0.791 | S | S | . | * | trans | -130.5 | 148.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V7 | V7-G9 PolarHBondContact O-N 3.09Š| ||
| 10 | N | 53.6 | Low | 51.8 | Low | 140 Ų | 140 | 159.8 Ų | 159.8 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -67.5 | 136.3 | -178.8 | -163.3 | -0.6 | 0 | 0 | 0 | 111.1 | H12 | N10-H12 VanDerWaalsContact C-N 3.26Å; N10-H12 PolarHBondContact O-N 3.4Å | ||
| 11 | L | 53.6 | Low | 51.9 | Low | 149 Ų | 149 | 159.7 Ų | 159.7 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -74.3 | -4.4 | -171.6 | -95.5 | 85.6 | 0 | 0 | 0 | 115.1 | ||
| 12 | H | 49.3 | Very low | 52.1 | Low | 171 Ų | 171 | 155.4 Ų | 155.4 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -86.5 | -4.2 | -169.6 | -75.1 | -29.4 | 0 | 0 | 0 | 116.4 | N10 | N10-H12 VanDerWaalsContact C-N 3.26Å; N10-H12 PolarHBondContact O-N 3.4Å |
| 13 | D | 46.6 | Very low | 52.2 | Low | 153 Ų | 153 | 148.1 Ų | 148.1 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -109.9 | 13.5 | -178.6 | -109.6 | -8.7 | 0 | 0 | 0 | 114.4 | Q15 | D13-Q15 VanDerWaalsContact C-N 3.29Å; D13-Q15 PolarHBondContact O-N 3.45Å |
| 14 | Q | 48.9 | Very low | 52.2 | Low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -70.8 | 90.9 | 166.9 | -89.9 | -175.1 | 4.3 | 0 | 0 | 109.7 | V16 | Q14-V16 PolarHBondContact O-N 3.21Š| ||
| 15 | Q | 47.8 | Very low | 52.3 | Low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | trans | -55.2 | 110.7 | 157.3 | -70.5 | -177.2 | -2.9 | 0 | 0 | 107.7 | D13 T17 | D13-Q15 VanDerWaalsContact C-N 3.29Å; D13-Q15 PolarHBondContact O-N 3.45Å; Q15-T17 PolarHBondContact O-N 2.97Å | ||
| 16 | V | 46 | Very low | 52.7 | Low | 138 Ų | 138 | 132.4 Ų | 132.4 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | trans | -63.7 | 91.6 | 168.7 | 179.9 | 0 | 0 | 0 | 0 | 106.7 | Q14 S18 | Q14-V16 PolarHBondContact O-N 3.21Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 2.87Å | ||
| 17 | T | 43.9 | Very low | 52.8 | Low | 109 Ų | 109 | 133.4 Ų | 133.4 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | trans | -70.3 | 95.4 | 170.5 | 56 | 0 | 0 | 0 | 0 | 107.1 | Q15 K19 | Q15-T17 PolarHBondContact O-N 2.97Å; T17-K19 PolarHBondContact O-N 3.45Å | ||
| 18 | S | 42.4 | Very low | 53.2 | Low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | trans | -57.1 | 108.3 | 170.1 | -174 | 0 | 0 | 0 | 0 | 108.6 | V16 N20 | V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 2.87Å; S18-N20 PolarHBondContact O-N 3.47Å | ||
| 19 | K | 46.5 | Very low | 54.4 | Low | 190 Ų | 190 | 127 Ų | 127 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | trans | -77.9 | 66.1 | 174 | -70.2 | -178.2 | 178.9 | 177.1 | 0 | 109.6 | T17 | T17-K19 PolarHBondContact O-N 3.45Š| ||
| 20 | N | 47.2 | Very low | 55.4 | Low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | -126.8 | 98.7 | 164.5 | -83.3 | -15.2 | 0 | 0 | 0 | 107.8 | S18 N22 | S18-N20 PolarHBondContact O-N 3.47Å; N20-N22 PolarHBondContact O-N 3.42Å | ||
| 21 | N | 53.4 | Low | 56.8 | Low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | trans | -74.2 | 48.1 | -179.1 | -75.8 | -24.6 | 0 | 0 | 0 | 112.9 | ||||
| 22 | N | 52.9 | Low | 58.3 | Low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -118.8 | 81 | 162.3 | -70.1 | -22.7 | 0 | 0 | 0 | 106.1 | N20 D24 | N20-N22 PolarHBondContact O-N 3.42Å; N22-D24 VanDerWaalsContact C-N 3.27Å; N22-D24 PolarHBondContact O-N 2.83Å | ||
| 23 | S | 52.8 | Low | 59.9 | Low | 78 Ų | 78 | 126.1 Ų | 126.1 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | trans | -66.3 | 96 | 167.9 | -65 | 0 | 0 | 0 | 0 | 107 | P25 Q28 | S23-P25 WeakPolarHBondContact O-CD 3.49Å; S23-P25 VanDerWaalsContact O-N 3.14Å; S23-Q28 VanDerWaalsContact CB-NE2 3.27Å; S23-Q28 PolarHBondContact OG-NE2 2.97Å | ||
| 24 | D | 56.5 | Low | 61.6 | Low | 109 Ų | 109 | 127.9 Ų | 127.9 | 58% | 0.583 | 67% | 0.665 | S | S | * | * | trans | -50 | 118.5 | 171.3 | -162.5 | -8.4 | 0 | 0 | 0 | 108 | N22 G26 M27 | N22-D24 VanDerWaalsContact C-N 3.27Å; N22-D24 PolarHBondContact O-N 2.83Å; D24-G26 PolarHBondContact O-N 3.02Å; D24-M27 HydrophobicContact CB-CG 4.36Å; D24-M27 WeakPolarHBondContact O-CB 3.5Å; D24-M27 PolarHBondContact O-N 3.27Å | ||
| 25 | P | 62.5 | Low | 63.4 | Low | 97 Ų | 97 | 128.6 Ų | 128.6 | 63% | 0.63 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -55.4 | -27.4 | -169.7 | 14 | -28.1 | 0 | 0 | 0 | 113.3 | S23 M27 Q28 Q29 | S23-P25 WeakPolarHBondContact O-CD 3.49Å; S23-P25 VanDerWaalsContact O-N 3.14Å; P25-M27 PolarHBondContact O-N 3.41Å; P25-Q28 PolarHBondContact O-N 3.01Å; P25-Q29 PolarHBondContact O-N 3.24Å; P25-Q29 VanDerWaalsContact O-N 3.11Å |
| 26 | G | 70.8 | Confident | 65.3 | Low | 42 Ų | 42 | 130.5 Ų | 130.5 | 43% | 0.433 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.5 | -34.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D24 R30 | D24-G26 PolarHBondContact O-N 3.02Å; G26-R30 WeakPolarHBondContact O-CB 3.35Å; G26-R30 PolarHBondContact O-N 3.33Å |
| 27 | M | 64 | Low | 67.3 | Low | 123 Ų | 123 | 129.8 Ų | 129.8 | 61% | 0.606 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73 | -36.6 | 178.8 | -71.9 | -69.7 | -81 | 0 | 0 | 111.9 | D24 P25 R30 Q31 | D24-M27 HydrophobicContact CB-CG 4.36Å; D24-M27 WeakPolarHBondContact O-CB 3.5Å; D24-M27 PolarHBondContact O-N 3.27Å; P25-M27 PolarHBondContact O-N 3.41Å; M27-R30 PolarHBondContact O-N 3.49Å; M27-Q31 WeakPolarHBondContact O-CB 3.44Å; M27-Q31 PolarHBondContact O-N 2.98Å |
| 28 | Q | 67.9 | Low | 69.3 | Low | 95 Ų | 95 | 127.2 Ų | 127.2 | 44% | 0.444 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.3 | -42.7 | 173.3 | -82.6 | -178.1 | -1.4 | 0 | 0 | 111.6 | S23 P25 R30 Q31 Q32 | S23-Q28 VanDerWaalsContact CB-NE2 3.27Å; S23-Q28 PolarHBondContact OG-NE2 2.97Å; P25-Q28 PolarHBondContact O-N 3.01Å; Q28-R30 VanDerWaalsContact C-N 3.32Å; Q28-R30 PolarHBondContact O-N 3.35Å; Q28-Q31 PolarHBondContact O-N 3.41Å; Q28-Q32 WeakPolarHBondContact O-CB 3.28Å; Q28-Q32 VanDerWaalsContact O-CG 3.31Å; Q28-Q32 WeakPolarHBondContact O-CG 3.49Å; Q28-Q32 PolarHBondContact O-N 3.38Å |
| 29 | Q | 77.9 | Confident | 71.5 | Confident | 142 Ų | 142 | 127.1 Ų | 127.1 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.6 | -41.4 | 176.6 | -164.1 | 172 | 25 | 0 | 0 | 111.3 | P25 Q31 Q32 A33 | P25-Q29 PolarHBondContact O-N 3.24Å; P25-Q29 VanDerWaalsContact O-N 3.11Å; Q29-Q31 PolarHBondContact O-N 3.4Å; Q29-Q32 PolarHBondContact O-N 3.28Å; Q29-A33 WeakPolarHBondContact O-CB 3.44Å; Q29-A33 PolarHBondContact O-N 2.85Å |
| 30 | R | 79.8 | Confident | 73.4 | Confident | 174 Ų | 174 | 120.7 Ų | 120.7 | 66% | 0.657 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.5 | -39.3 | 175.5 | -161.2 | 171.8 | -173.5 | -179.9 | 1.7 | 112.3 | G26 M27 Q28 A33 Y34 | G26-R30 WeakPolarHBondContact O-CB 3.35Å; G26-R30 PolarHBondContact O-N 3.33Å; M27-R30 PolarHBondContact O-N 3.49Å; Q28-R30 VanDerWaalsContact C-N 3.32Å; Q28-R30 PolarHBondContact O-N 3.35Å; R30-A33 PolarHBondContact O-N 2.98Å; R30-Y34 WeakPolarHBondContact O-CB 3.37Å; R30-Y34 PolarHBondContact O-N 3.08Å |
| 31 | Q | 81.5 | Confident | 75.1 | Confident | 137 Ų | 137 | 122.7 Ų | 122.7 | 64% | 0.64 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.9 | -38 | 176.5 | -165.7 | 172.2 | 45.3 | 0 | 0 | 112.3 | M27 Q28 Q29 Y34 R35 | M27-Q31 WeakPolarHBondContact O-CB 3.44Å; M27-Q31 PolarHBondContact O-N 2.98Å; Q28-Q31 PolarHBondContact O-N 3.41Å; Q29-Q31 PolarHBondContact O-N 3.4Å; Q31-Y34 PolarHBondContact O-N 2.92Å; Q31-R35 PolarHBondContact O-N 3.41Å |
| 32 | Q | 85.1 | Confident | 76.5 | Confident | 127 Ų | 127 | 121.7 Ų | 121.7 | 59% | 0.593 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.8 | -40.5 | 173.2 | -71.5 | 178.6 | 14 | 0 | 0 | 112 | Q28 Q29 R35 R36 | Q28-Q32 WeakPolarHBondContact O-CB 3.28Å; Q28-Q32 VanDerWaalsContact O-CG 3.31Å; Q28-Q32 WeakPolarHBondContact O-CG 3.49Å; Q28-Q32 PolarHBondContact O-N 3.38Å; Q29-Q32 PolarHBondContact O-N 3.28Å; Q32-R35 PolarHBondContact O-N 3.13Å; Q32-R36 PolarHBondContact O-N 3.5Å |
| 33 | A | 83.4 | Confident | 78 | Confident | 56 Ų | 56 | 119.6 Ų | 119.6 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q29 R30 R35 R36 R37 | Q29-A33 WeakPolarHBondContact O-CB 3.44Å; Q29-A33 PolarHBondContact O-N 2.85Å; R30-A33 PolarHBondContact O-N 2.98Å; A33-R35 PolarHBondContact O-N 3.18Å; A33-R36 PolarHBondContact O-N 2.98Å; A33-R37 WeakPolarHBondContact O-CB 3.34Å; A33-R37 PolarHBondContact O-N 3.34Å |
| 34 | Y | 82.3 | Confident | 78.9 | Confident | 189 Ų | 189 | 118.4 Ų | 118.4 | 74% | 0.741 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.6 | -42.7 | 175.9 | -140.5 | -85.2 | 0 | 0 | 0 | 111.9 | R30 Q31 R37 A38 | R30-Y34 WeakPolarHBondContact O-CB 3.37Å; R30-Y34 PolarHBondContact O-N 3.08Å; Q31-Y34 PolarHBondContact O-N 2.92Å; Y34-R37 PolarHBondContact O-N 3.39Å; Y34-A38 WeakPolarHBondContact O-CB 3.41Å; Y34-A38 PolarHBondContact O-N 2.9Å |
| 35 | R | 86.9 | Confident | 79.9 | Confident | 186 Ų | 186 | 119.5 Ų | 119.5 | 70% | 0.702 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.1 | -46.4 | 173.7 | -93.4 | -176 | 172 | 173.6 | -1.1 | 112.1 | Q31 Q32 A33 A38 I39 | Q31-R35 PolarHBondContact O-N 3.41Å; Q32-R35 PolarHBondContact O-N 3.13Å; A33-R35 PolarHBondContact O-N 3.18Å; R35-A38 PolarHBondContact O-N 2.94Å; R35-I39 VanDerWaalsContact O-CG1 3.28Å; R35-I39 WeakPolarHBondContact O-CG1 3.29Å; R35-I39 PolarHBondContact O-N 3.16Å |
| 36 | R | 87.3 | Confident | 80.3 | Confident | 207 Ų | 207 | 120 Ų | 120 | 78% | 0.781 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.4 | -45.9 | 177.6 | -89 | -171.9 | 168 | -171.5 | -2.4 | 112 | Q32 A33 A38 I39 A40 | Q32-R36 PolarHBondContact O-N 3.5Å; A33-R36 PolarHBondContact O-N 2.98Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-A38 PolarHBondContact O-N 2.96Å; R36-I39 PolarHBondContact O-N 3.46Å; R36-A40 WeakPolarHBondContact O-CB 3.4Å; R36-A40 PolarHBondContact O-N 3.24Å |
| 37 | R | 89.3 | Confident | 80.3 | Confident | 123 Ų | 123 | 126 Ų | 126 | 46% | 0.464 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -38.5 | 179 | -158.9 | 171.8 | -176.9 | 148.9 | -2.7 | 111.5 | A33 Y34 A40 R41 E170 | A33-R37 WeakPolarHBondContact O-CB 3.34Å; A33-R37 PolarHBondContact O-N 3.34Å; Y34-R37 PolarHBondContact O-N 3.39Å; R37-A40 PolarHBondContact O-N 3.42Å; R37-R41 VanDerWaalsContact O-CB 3.29Å; R37-R41 WeakPolarHBondContact O-CB 3.38Å; R37-R41 PolarHBondContact O-N 2.99Å; R37-E170 IonicContact CZ-OE1 3.83Å; R37-E170 IonicContact NH2-OE1 2.73Å; R37-E170 PolarHBondContact NH2-OE1 2.9Å |
| 38 | A | 85.1 | Confident | 80.1 | Confident | 55 Ų | 55 | 125.6 Ų | 125.6 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y34 R35 R36 K42 | Y34-A38 WeakPolarHBondContact O-CB 3.41Å; Y34-A38 PolarHBondContact O-N 2.9Å; R35-A38 PolarHBondContact O-N 2.94Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-A38 PolarHBondContact O-N 2.96Å; A38-K42 WeakPolarHBondContact O-CB 3.49Å; A38-K42 PolarHBondContact O-N 2.97Å |
| 39 | I | 88 | Confident | 80.1 | Confident | 94 Ų | 94 | 128.2 Ų | 128.2 | 48% | 0.482 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.7 | -46.3 | 176 | -66.9 | 164.3 | 0 | 0 | 0 | 110.5 | R35 R36 R41 K42 Q43 | R35-I39 VanDerWaalsContact O-CG1 3.28Å; R35-I39 WeakPolarHBondContact O-CG1 3.29Å; R35-I39 PolarHBondContact O-N 3.16Å; R36-I39 PolarHBondContact O-N 3.46Å; I39-R41 VanDerWaalsContact C-N 3.31Å; I39-R41 PolarHBondContact O-N 3.34Å; I39-K42 WeakPolarHBondContact O-CB 3.48Å; I39-K42 PolarHBondContact O-N 3.21Å; I39-K42 VanDerWaalsContact O-N 3.1Å; I39-Q43 HydrophobicContact CG2-CG 4.4Å; I39-Q43 WeakPolarHBondContact O-CG 3.47Å; I39-Q43 PolarHBondContact O-N 2.98Å |
| 40 | A | 86.4 | Confident | 78.9 | Confident | 54 Ų | 54 | 126.8 Ų | 126.8 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.1 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R36 R37 K42 Q43 S44 | R36-A40 WeakPolarHBondContact O-CB 3.4Å; R36-A40 PolarHBondContact O-N 3.24Å; R37-A40 PolarHBondContact O-N 3.42Å; A40-K42 VanDerWaalsContact C-N 3.32Å; A40-K42 PolarHBondContact O-N 3.47Å; A40-Q43 PolarHBondContact O-N 3.45Å; A40-S44 WeakPolarHBondContact O-CB 3.37Å; A40-S44 PolarHBondContact O-N 3.28Å; A40-S44 PolarHBondContact O-OG 2.87Å |
| 41 | R | 83.8 | Confident | 78.2 | Confident | 177 Ų | 177 | 128 Ų | 128 | 67% | 0.668 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.8 | -30.4 | 176.4 | -160.1 | 176.9 | -175.1 | -168.2 | 3.2 | 113 | R37 I39 S44 K45 | R37-R41 VanDerWaalsContact O-CB 3.29Å; R37-R41 WeakPolarHBondContact O-CB 3.38Å; R37-R41 PolarHBondContact O-N 2.99Å; I39-R41 VanDerWaalsContact C-N 3.31Å; I39-R41 PolarHBondContact O-N 3.34Å; R41-S44 WeakPolarHBondContact CA-OG 3.3Å; R41-S44 PolarHBondContact O-OG 3.03Å; R41-K45 WeakPolarHBondContact O-CB 3.49Å; R41-K45 WeakPolarHBondContact O-CG 3.48Å; R41-K45 PolarHBondContact O-N 2.72Å |
| 42 | K | 82.9 | Confident | 77.4 | Confident | 138 Ų | 138 | 127.5 Ų | 127.5 | 60% | 0.6 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.3 | -42.3 | 174 | -168.2 | 179.9 | 176.3 | -172.9 | 0 | 110.9 | A38 I39 A40 K45 E46 | A38-K42 WeakPolarHBondContact O-CB 3.49Å; A38-K42 PolarHBondContact O-N 2.97Å; I39-K42 WeakPolarHBondContact O-CB 3.48Å; I39-K42 PolarHBondContact O-N 3.21Å; I39-K42 VanDerWaalsContact O-N 3.1Å; A40-K42 VanDerWaalsContact C-N 3.32Å; A40-K42 PolarHBondContact O-N 3.47Å; K42-K45 PolarHBondContact O-N 3.24Å; K42-E46 WeakPolarHBondContact O-CG 3.42Å; K42-E46 PolarHBondContact O-N 2.94Å |
| 43 | Q | 83.1 | Confident | 76.6 | Confident | 108 Ų | 108 | 126.8 Ų | 126.8 | 51% | 0.505 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.5 | -42.7 | 176.2 | -72.2 | 176.6 | -11.3 | 0 | 0 | 112 | I39 A40 E46 Q47 | I39-Q43 HydrophobicContact CG2-CG 4.4Å; I39-Q43 WeakPolarHBondContact O-CG 3.47Å; I39-Q43 PolarHBondContact O-N 2.98Å; A40-Q43 PolarHBondContact O-N 3.45Å; Q43-E46 PolarHBondContact O-N 2.89Å; Q43-Q47 WeakPolarHBondContact O-CG 3.36Å; Q43-Q47 PolarHBondContact O-N 3.47Å |
| 44 | S | 72.8 | Confident | 75.6 | Confident | 53 Ų | 53 | 133 Ų | 133 | 37% | 0.371 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65 | -40.3 | 175.6 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | A40 R41 E46 Q47 L48 | A40-S44 WeakPolarHBondContact O-CB 3.37Å; A40-S44 PolarHBondContact O-N 3.28Å; A40-S44 PolarHBondContact O-OG 2.87Å; R41-S44 WeakPolarHBondContact CA-OG 3.3Å; R41-S44 PolarHBondContact O-OG 3.03Å; S44-E46 VanDerWaalsContact C-N 3.33Å; S44-E46 PolarHBondContact O-N 3.38Å; S44-Q47 PolarHBondContact O-N 3.36Å; S44-L48 PolarHBondContact O-N 2.96Å |
| 45 | K | 76.7 | Confident | 74.7 | Confident | 132 Ų | 132 | 128.5 Ų | 128.5 | 57% | 0.574 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.4 | -36.7 | 171.3 | -82.1 | -175.7 | 175.4 | -171.7 | 0 | 113 | R41 K42 L48 K49 | R41-K45 WeakPolarHBondContact O-CB 3.49Å; R41-K45 WeakPolarHBondContact O-CG 3.48Å; R41-K45 PolarHBondContact O-N 2.72Å; K42-K45 PolarHBondContact O-N 3.24Å; K45-L48 PolarHBondContact O-N 3.45Å; K45-K49 WeakPolarHBondContact O-CG 3.27Å; K45-K49 PolarHBondContact O-N 3.27Å; K45-K49 VanDerWaalsContact O-N 3.13Å |
| 46 | E | 72.1 | Confident | 73.5 | Confident | 108 Ų | 108 | 125.2 Ų | 125.2 | 51% | 0.505 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69 | -34.6 | 174.7 | -82 | 175.4 | -175.7 | 0 | 0 | 112.2 | K42 Q43 S44 K49 | K42-E46 WeakPolarHBondContact O-CG 3.42Å; K42-E46 PolarHBondContact O-N 2.94Å; Q43-E46 PolarHBondContact O-N 2.89Å; S44-E46 VanDerWaalsContact C-N 3.33Å; S44-E46 PolarHBondContact O-N 3.38Å; E46-K49 PolarHBondContact O-N 2.93Å |
| 47 | Q | 69.1 | Low | 72.5 | Confident | 168 Ų | 168 | 124.6 Ų | 124.6 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.8 | -31.4 | 172 | -68.7 | -168.9 | 65.6 | 0 | 0 | 112.7 | Q43 S44 K49 | Q43-Q47 WeakPolarHBondContact O-CG 3.36Å; Q43-Q47 PolarHBondContact O-N 3.47Å; S44-Q47 PolarHBondContact O-N 3.36Å; Q47-K49 VanDerWaalsContact C-N 3.32Å |
| 48 | L | 61.8 | Low | 71.3 | Confident | 115 Ų | 115 | 122.6 Ų | 122.6 | 60% | 0.602 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74 | -19.6 | 173.8 | -107.8 | 107.7 | 0 | 0 | 0 | 113.9 | S44 K45 T50 | S44-L48 PolarHBondContact O-N 2.96Å; K45-L48 PolarHBondContact O-N 3.45Å; L48-T50 PolarHBondContact O-N 3.44Å |
| 49 | K | 67.9 | Low | 69.9 | Low | 150 Ų | 150 | 129.5 Ų | 129.5 | 65% | 0.652 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -68.2 | 99.5 | 171.5 | -76.2 | 178.7 | -179 | -176.4 | 0 | 107.7 | K45 E46 Q47 K51 | K45-K49 WeakPolarHBondContact O-CG 3.27Å; K45-K49 PolarHBondContact O-N 3.27Å; K45-K49 VanDerWaalsContact O-N 3.13Å; E46-K49 PolarHBondContact O-N 2.93Å; Q47-K49 VanDerWaalsContact C-N 3.32Å; K49-K51 PolarHBondContact O-N 2.91Å |
| 50 | T | 51.3 | Low | 68.4 | Low | 112 Ų | 112 | 133.9 Ų | 133.9 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | trans | -51.8 | 111.1 | 162.7 | 49.9 | 0 | 0 | 0 | 0 | 107 | L48 T52 | L48-T50 PolarHBondContact O-N 3.44Å; T50-T52 PolarHBondContact O-N 3.21Å | ||
| 51 | K | 66.3 | Low | 66.6 | Low | 199 Ų | 199 | 140.3 Ų | 140.3 | 87% | 0.865 | 71% | 0.705 | S | S | * | * | trans | -59.4 | 114 | 171 | -70.2 | -179.3 | 179.9 | 179 | 0 | 105.7 | K49 P53 | K49-K51 PolarHBondContact O-N 2.91Å; K51-P53 WeakPolarHBondContact O-CD 3.47Å; K51-P53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | T | 63.1 | Low | 65.2 | Low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 121.4 | 166.5 | -48.7 | 0 | 0 | 0 | 0 | 105.8 | T50 E54 | T50-T52 PolarHBondContact O-N 3.21Å; T52-E54 PolarHBondContact O-N 2.97Å |
| 53 | P | 68.4 | Low | 63.4 | Low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 144.9 | -178.7 | 22 | -32 | 0 | 0 | 0 | 109.1 | K51 A55 | K51-P53 WeakPolarHBondContact O-CD 3.47Å; K51-P53 VanDerWaalsContact O-N 3.11Å; P53-A55 PolarHBondContact O-N 2.96Å |
| 54 | E | 62.9 | Low | 61.9 | Low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 140.3 | 175.3 | -80.6 | -168.3 | 149.7 | 0 | 0 | 109.7 | T52 I56 | T52-E54 PolarHBondContact O-N 2.97Å; E54-I56 PolarHBondContact O-N 3.43Å; E54-I56 VanDerWaalsContact O-N 3.08Å |
| 55 | A | 62.8 | Low | 60.5 | Low | 95 Ų | 95 | 142.6 Ų | 142.6 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 119.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | P53 Q57 | P53-A55 PolarHBondContact O-N 2.96Å; A55-Q57 PolarHBondContact O-N 3.06Å |
| 56 | I | 63.1 | Low | 59.4 | Low | 118 Ų | 118 | 142.7 Ų | 142.7 | 61% | 0.605 | 76% | 0.755 | S | S | * | * | trans | -58.9 | 113.5 | 179.7 | -63.1 | 169.3 | 0 | 0 | 0 | 107.9 | E54 G58 R59 | E54-I56 PolarHBondContact O-N 3.43Å; E54-I56 VanDerWaalsContact O-N 3.08Å; I56-G58 PolarHBondContact O-N 3.47Å; I56-R59 PolarHBondContact O-N 3.14Å | ||
| 57 | Q | 65.3 | Low | 58.3 | Low | 194 Ų | 194 | 140.5 Ų | 140.5 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 128.8 | 179 | -69 | -173.4 | -7.7 | 0 | 0 | 109.6 | A55 | A55-Q57 PolarHBondContact O-N 3.06Š|
| 58 | G | 64.1 | Low | 57.4 | Low | 80 Ų | 80 | 141.4 Ų | 141.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.9 | -9.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | I56 | I56-G58 PolarHBondContact O-N 3.47Š|
| 59 | R | 55.3 | Low | 56.7 | Low | 201 Ų | 201 | 142 Ų | 142 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | trans | -88.8 | 107.1 | 168.4 | -73.1 | -170.4 | 172.1 | -178.6 | -1.9 | 110.1 | I56 | I56-R59 PolarHBondContact O-N 3.14Š| ||
| 60 | Q | 56.7 | Low | 55.4 | Low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -80.5 | 122.4 | 169.1 | -66.1 | -171.5 | 23.9 | 0 | 0 | 109.2 | V62 | Q60-V62 PolarHBondContact O-N 2.85Å; Q60-V62 VanDerWaalsContact O-N 3.15Å | ||
| 61 | H | 48.2 | Very low | 55.2 | Low | 189 Ų | 189 | 143.1 Ų | 143.1 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 107.9 | 169.1 | -95.1 | -93.6 | 0 | 0 | 0 | 108.9 | V63 | H61-V63 PolarHBondContact O-N 3.33Š| ||
| 62 | V | 55.3 | Low | 54.3 | Low | 116 Ų | 116 | 141.1 Ų | 141.1 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 116.6 | 167.1 | 169.3 | 0 | 0 | 0 | 0 | 107.7 | Q60 V64 | Q60-V62 PolarHBondContact O-N 2.85Å; Q60-V62 VanDerWaalsContact O-N 3.15Å; V62-V64 HydrophobicContact CG1-CG2 4.21Å; V62-V64 PolarHBondContact O-N 3.3Å; V62-V64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | V | 45.1 | Very low | 53.6 | Low | 121 Ų | 121 | 144.3 Ų | 144.3 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 102.5 | 165.9 | -176.8 | 0 | 0 | 0 | 0 | 106.5 | H61 Q65 | H61-V63 PolarHBondContact O-N 3.33Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 HydrophobicContact CG1-CG 4.15Å; V63-Q65 PolarHBondContact O-N 3.46Å | ||
| 64 | V | 50.7 | Low | 52.5 | Low | 114 Ų | 114 | 146.9 Ų | 146.9 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 95.1 | 169.5 | 178.3 | 0 | 0 | 0 | 0 | 107 | V62 T66 | V62-V64 HydrophobicContact CG1-CG2 4.21Å; V62-V64 PolarHBondContact O-N 3.3Å; V62-V64 VanDerWaalsContact O-N 3.14Å; V64-T66 VanDerWaalsContact C-N 3.33Å; V64-T66 HydrophobicContact CG1-CG2 4.35Å; V64-T66 PolarHBondContact O-N 3.38Å | ||
| 65 | Q | 44.5 | Very low | 51.7 | Low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 91 | 168.4 | -71 | -174.2 | -29.1 | 0 | 0 | 107.9 | V63 G67 | V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 HydrophobicContact CG1-CG 4.15Å; V63-Q65 PolarHBondContact O-N 3.46Å; Q65-G67 PolarHBondContact O-N 3.41Å | ||
| 66 | T | 52.9 | Low | 51.1 | Low | 134 Ų | 134 | 148.3 Ų | 148.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -66.9 | 109.5 | 159.8 | 42.7 | 0 | 0 | 0 | 0 | 108.2 | V64 | V64-T66 VanDerWaalsContact C-N 3.33Å; V64-T66 HydrophobicContact CG1-CG2 4.35Å; V64-T66 PolarHBondContact O-N 3.38Å | ||
| 67 | G | 49.5 | Very low | 50.1 | Low | 63 Ų | 63 | 150.8 Ų | 150.8 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 112.1 | 110.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q65 | Q65-G67 PolarHBondContact O-N 3.41Š|
| 68 | E | 48.9 | Very low | 49.1 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 92 | 127.7 | 143.2 | -58.7 | -173.2 | 155.2 | 0 | 0 | 120 | ||||
| 69 | T | 47.4 | Very low | 48 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 89.8 | 71.1 | 161.8 | 72.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 70 | L | 42.2 | Very low | 47.4 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -124.9 | 56.7 | 143.5 | -72.4 | 177.3 | 0 | 0 | 0 | 110.4 | ||||
| 71 | C | 46.4 | Very low | 46.7 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 72% | 0.723 | 80% | 0.798 | S | S | * | * | trans | -99.6 | 134.8 | 154.8 | -171.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 72 | L | 48 | Very low | 46.4 | Very low | 156 Ų | 156 | 147 Ų | 147 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 85.3 | 59.9 | 176.1 | -43.9 | 178.8 | 0 | 0 | 0 | 117.7 | ||
| 73 | K | 47.7 | Very low | 46.1 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -137.5 | 25.5 | 154.5 | -84.2 | -163.2 | -177.4 | 172.8 | 0 | 116 | ||
| 74 | L | 44.5 | Very low | 46 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -140 | 65.9 | 168.5 | -89.7 | 125.8 | 0 | 0 | 0 | 111.3 | ||||
| 75 | F | 47.2 | Very low | 45.5 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -145.9 | 76.8 | 155.7 | -94.4 | -76.6 | 0 | 0 | 0 | 108.9 | ||||
| 76 | S | 49.7 | Very low | 45.3 | Very low | 100 Ų | 100 | 151.4 Ų | 151.4 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -154.8 | 132.2 | 151.6 | 57.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 77 | H | 42.9 | Very low | 45 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | 99.4 | 62.1 | -175.9 | -56 | 80.4 | 0 | 0 | 0 | 116.1 | ||||
| 78 | V | 44.6 | Very low | 44.7 | Very low | 127 Ų | 127 | 153 Ų | 153 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -101.4 | 105.5 | 141.2 | 178.4 | 0 | 0 | 0 | 0 | 106.9 | L80 | V78-L80 PolarHBondContact O-N 2.87Š| ||
| 79 | Q | 39 | Very low | 44.5 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | trans | -71 | 106 | 169.9 | -81.5 | -91.4 | 10.1 | 0 | 0 | 108.6 | K81 | Q79-K81 PolarHBondContact O-N 3.39Š| ||
| 80 | L | 43.8 | Very low | 44.1 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 118.4 | 168.2 | -71.8 | 166.1 | 0 | 0 | 0 | 108.6 | V78 | V78-L80 PolarHBondContact O-N 2.87Š|
| 81 | K | 41.8 | Very low | 44.3 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 137.6 | 171.2 | -75 | -172.1 | 178.1 | -179.6 | 0 | 110.1 | Q79 | Q79-K81 PolarHBondContact O-N 3.39Š|
| 82 | P | 43 | Very low | 44.3 | Very low | 122 Ų | 122 | 154.3 Ų | 154.3 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 134.3 | -178.1 | 29.7 | -33.1 | 0 | 0 | 0 | 111.4 | ||
| 83 | A | 47.3 | Very low | 43.9 | Very low | 88 Ų | 88 | 153.6 Ų | 153.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 84 | N | 44.5 | Very low | 44.2 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -170.7 | 138.4 | 150.1 | -89.4 | -34.4 | 0 | 0 | 0 | 113.7 | ||||
| 85 | K | 39.9 | Very low | 44.6 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | 78.1 | 103.2 | 158.3 | -87.6 | 169.3 | 175.9 | 175.1 | 0 | 120 | ||||
| 86 | L | 40.8 | Very low | 45.1 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 138.2 | 146.4 | -70 | 169.9 | 0 | 0 | 0 | 109.1 | ||
| 87 | P | 45.8 | Very low | 45.5 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 140.8 | 174.2 | 31.8 | -29.7 | 0 | 0 | 0 | 111.2 | ||
| 88 | S | 43.8 | Very low | 46.5 | Very low | 110 Ų | 110 | 153.6 Ų | 153.6 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 124.4 | 170.6 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 89 | L | 43.7 | Very low | 47.1 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -147.4 | 105.2 | 151.9 | -71 | -179 | 0 | 0 | 0 | 107.2 | ||||
| 90 | L | 40.5 | Very low | 48 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | 81.5 | 110.8 | 95.3 | -120.4 | 155.4 | 0 | 0 | 0 | 111.9 | |||||
| 91 | F | 44.8 | Very low | 48.7 | Very low | 192 Ų | 192 | 151.4 Ų | 151.4 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -40.8 | 144.7 | -179.6 | -63.1 | -97.8 | 0 | 0 | 0 | 115.3 | ||||
| 92 | P | 46.8 | Very low | 49.8 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -111.8 | 136.8 | 144.6 | 12.1 | 7.4 | 0 | 0 | 0 | 111.1 | ||||
| 93 | D | 40.6 | Very low | 50.7 | Low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -60.7 | 140 | -177.7 | -62.4 | -56.9 | 0 | 0 | 0 | 114 | ||||
| 94 | S | 53.1 | Low | 51.4 | Low | 103 Ų | 103 | 154.2 Ų | 154.2 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | 24.6 | 101.7 | 140 | 174.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 95 | F | 53.2 | Low | 52.2 | Low | 199 Ų | 199 | 152.5 Ų | 152.5 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | -146.9 | 107.6 | 136.3 | -62.7 | -74.5 | 0 | 0 | 0 | 109.2 | E97 | F95-E97 PolarHBondContact O-N 3.38Š| ||
| 96 | L | 56.9 | Low | 53.3 | Low | 179 Ų | 179 | 146.9 Ų | 146.9 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 109.3 | 162.5 | -84.2 | 161.4 | 0 | 0 | 0 | 106.8 | ||||
| 97 | E | 59.3 | Low | 54.2 | Low | 166 Ų | 166 | 147.6 Ų | 147.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -89.9 | 118.6 | 172.2 | -166.2 | 169.1 | -162.1 | 0 | 0 | 108.3 | F95 L99 | F95-E97 PolarHBondContact O-N 3.38Å; E97-L99 PolarHBondContact O-N 2.98Å; E97-L99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | E | 63.8 | Low | 55.3 | Low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 105.4 | 173.7 | -74.8 | -177.8 | 162.6 | 0 | 0 | 109 | S100 | E98-S100 PolarHBondContact O-N 3.44Š| ||
| 99 | L | 57 | Low | 56.3 | Low | 153 Ų | 153 | 150.2 Ų | 150.2 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -68.9 | 98.5 | 174.3 | -61.5 | 177.6 | 0 | 0 | 0 | 109.2 | E97 N101 | E97-L99 PolarHBondContact O-N 2.98Å; E97-L99 VanDerWaalsContact O-N 3.09Å; L99-N101 PolarHBondContact O-N 3.07Å | ||
| 100 | S | 57.7 | Low | 57.3 | Low | 91 Ų | 91 | 148 Ų | 148 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -64.8 | 124.3 | 169.8 | 64.6 | 0 | 0 | 0 | 0 | 109.5 | E98 I102 | E98-S100 PolarHBondContact O-N 3.44Å; S100-I102 PolarHBondContact O-N 3.25Å | ||
| 101 | N | 59.3 | Low | 58.4 | Low | 161 Ų | 161 | 148.8 Ų | 148.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -72.5 | 40.5 | 177.4 | -81.4 | -29.6 | 0 | 0 | 0 | 112.9 | L99 I103 | L99-N101 PolarHBondContact O-N 3.07Å; N101-I103 PolarHBondContact O-N 3.39Å | ||
| 102 | I | 64.8 | Low | 59.1 | Low | 139 Ų | 139 | 146.2 Ų | 146.2 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -89 | 93.5 | 170.7 | -54.8 | 175.5 | 0 | 0 | 0 | 106 | S100 Q104 | S100-I102 PolarHBondContact O-N 3.25Å; I102-Q104 PolarHBondContact O-N 2.96Å; I102-Q104 VanDerWaalsContact O-N 3.08Å | ||
| 103 | I | 61 | Low | 60.2 | Low | 144 Ų | 144 | 146 Ų | 146 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -66 | 109 | 171.5 | -58.1 | 169.2 | 0 | 0 | 0 | 106.4 | N101 V105 | N101-I103 PolarHBondContact O-N 3.39Å; I103-V105 HydrophobicContact CG2-CG2 4.44Å; I103-V105 PolarHBondContact O-N 3.43Å | ||
| 104 | Q | 62.7 | Low | 61.6 | Low | 183 Ų | 183 | 147.5 Ų | 147.5 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -64.1 | 106.6 | 165.4 | -87.8 | -173.7 | -25.1 | 0 | 0 | 107.8 | I102 S106 | I102-Q104 PolarHBondContact O-N 2.96Å; I102-Q104 VanDerWaalsContact O-N 3.08Å; Q104-S106 PolarHBondContact O-N 3.48Å; Q104-S106 VanDerWaalsContact O-N 3.15Å | ||
| 105 | V | 61.3 | Low | 62.3 | Low | 126 Ų | 126 | 151.8 Ų | 151.8 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -80.4 | 93.1 | 171.2 | -175.8 | 0 | 0 | 0 | 0 | 107 | I103 | I103-V105 HydrophobicContact CG2-CG2 4.44Å; I103-V105 PolarHBondContact O-N 3.43Å | ||
| 106 | S | 61.7 | Low | 63.4 | Low | 82 Ų | 82 | 149.3 Ų | 149.3 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | trans | -81.6 | 122.7 | 160.7 | 57.6 | 0 | 0 | 0 | 0 | 107.9 | Q104 I108 | Q104-S106 PolarHBondContact O-N 3.48Å; Q104-S106 VanDerWaalsContact O-N 3.15Å; S106-I108 PolarHBondContact O-N 2.89Å; S106-I108 VanDerWaalsContact O-N 3.17Å | ||
| 107 | E | 60.9 | Low | 64.4 | Low | 183 Ų | 183 | 148.1 Ų | 148.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -66.9 | 111.4 | 167.2 | -67.8 | 179.7 | 170.8 | 0 | 0 | 107.8 | ||||
| 108 | I | 69.1 | Low | 65.2 | Low | 133 Ų | 133 | 148.2 Ų | 148.2 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -100.5 | 106.3 | 176 | -50.8 | 166.4 | 0 | 0 | 0 | 105.9 | S106 C110 | S106-I108 PolarHBondContact O-N 2.89Å; S106-I108 VanDerWaalsContact O-N 3.17Å; I108-C110 PolarHBondContact O-N 3.44Å | ||
| 109 | D | 64.7 | Low | 65.8 | Low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -70 | 114.4 | 170.4 | -69.3 | -36.4 | 0 | 0 | 0 | 108.5 | Q111 | D109-Q111 PolarHBondContact O-N 3.01Å; D109-Q111 VanDerWaalsContact O-N 3.11Å | ||
| 110 | C | 65.3 | Low | 66.9 | Low | 111 Ų | 111 | 142.4 Ų | 142.4 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | -77.9 | 94.5 | 170.6 | -63.5 | 0 | 0 | 0 | 0 | 108.4 | I108 T112 | I108-C110 PolarHBondContact O-N 3.44Å; C110-T112 PolarHBondContact O-N 3.21Å | ||
| 111 | Q | 62 | Low | 68 | Low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | -56.3 | 107.4 | 166.1 | -177.7 | 176.6 | -48.5 | 0 | 0 | 108.1 | D109 D113 | D109-Q111 PolarHBondContact O-N 3.01Å; D109-Q111 VanDerWaalsContact O-N 3.11Å; Q111-D113 PolarHBondContact NE2-OD1 2.97Å; Q111-D113 PolarHBondContact O-N 3.38Å | ||
| 112 | T | 59.1 | Low | 69 | Low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | -79.6 | 98.5 | 172.4 | 0.9 | 0 | 0 | 0 | 0 | 105.8 | C110 | C110-T112 PolarHBondContact O-N 3.21Š| ||
| 113 | D | 70.6 | Confident | 69.8 | Low | 121 Ų | 121 | 141.9 Ų | 141.9 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | trans | -56 | 141.4 | 172.5 | -86.6 | -14.1 | 0 | 0 | 0 | 109.6 | Q111 F115 | Q111-D113 PolarHBondContact NE2-OD1 2.97Å; Q111-D113 PolarHBondContact O-N 3.38Å; D113-F115 PolarHBondContact O-N 3.32Å | ||
| 114 | E | 71.1 | Confident | 70.9 | Confident | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -55.9 | 122.4 | 178.3 | -158.3 | 167.9 | -150.7 | 0 | 0 | 108.5 | L116 | E114-L116 VanDerWaalsContact C-N 3.29Å; E114-L116 PolarHBondContact O-N 2.98Å | ||
| 115 | F | 66.1 | Low | 71.8 | Confident | 194 Ų | 194 | 140.7 Ų | 140.7 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -69.7 | 86.9 | -171.3 | -149.4 | -96 | 0 | 0 | 0 | 109.3 | D113 D117 | D113-F115 PolarHBondContact O-N 3.32Å; F115-D117 PolarHBondContact O-N 3.46Å | ||
| 116 | L | 76.8 | Confident | 73 | Confident | 147 Ų | 147 | 138.9 Ų | 138.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 126.6 | 175 | -65.8 | 176.6 | 0 | 0 | 0 | 108.3 | E114 K118 | E114-L116 VanDerWaalsContact C-N 3.29Å; E114-L116 PolarHBondContact O-N 2.98Å; L116-K118 PolarHBondContact O-N 2.88Å |
| 117 | D | 77.6 | Confident | 73.9 | Confident | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 116.6 | 175.8 | -81.2 | -31 | 0 | 0 | 0 | 109.4 | F115 | F115-D117 PolarHBondContact O-N 3.46Š|
| 118 | K | 76.2 | Confident | 74.8 | Confident | 169 Ų | 169 | 139.3 Ų | 139.3 | 74% | 0.735 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 127 | 175.7 | -174.9 | -179 | 179.5 | -177.1 | 0 | 107.4 | L116 S120 | L116-K118 PolarHBondContact O-N 2.88Å; K118-S120 PolarHBondContact O-N 3.45Å |
| 119 | P | 77.3 | Confident | 75.2 | Confident | 109 Ų | 109 | 139.1 Ų | 139.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.7 | 175 | 23.9 | -33.4 | 0 | 0 | 0 | 108.9 | T121 | P119-T121 PolarHBondContact O-N 2.91Å; P119-T121 VanDerWaalsContact O-N 3.12Å |
| 120 | S | 80.8 | Confident | 76.1 | Confident | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 124 | -178.4 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | K118 P122 | K118-S120 PolarHBondContact O-N 3.45Å; S120-P122 VanDerWaalsContact O-N 3.16Å |
| 121 | T | 79.6 | Confident | 76.8 | Confident | 102 Ų | 102 | 136 Ų | 136 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 125.4 | -179 | -49.2 | 0 | 0 | 0 | 0 | 108.5 | P119 L123 | P119-T121 PolarHBondContact O-N 2.91Å; P119-T121 VanDerWaalsContact O-N 3.12Å; T121-L123 PolarHBondContact O-N 2.96Å |
| 122 | P | 80.8 | Confident | 77.7 | Confident | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 136.8 | -178.1 | 22.9 | -33 | 0 | 0 | 0 | 109.5 | S120 F124 | S120-P122 VanDerWaalsContact O-N 3.16Å; P122-F124 PolarHBondContact O-N 3.39Å |
| 123 | L | 82.2 | Confident | 78.9 | Confident | 163 Ų | 163 | 134 Ų | 134 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.7 | 179.3 | -65.2 | 174.9 | 0 | 0 | 0 | 109.1 | T121 V125 | T121-L123 PolarHBondContact O-N 2.96Å; L123-V125 PolarHBondContact O-N 3Å; L123-V125 VanDerWaalsContact O-N 3.16Å |
| 124 | F | 82.3 | Confident | 79.5 | Confident | 180 Ų | 180 | 136.6 Ų | 136.6 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 112.1 | 173.7 | 176 | -107.6 | 0 | 0 | 0 | 109.1 | P122 P126 | P122-F124 PolarHBondContact O-N 3.39Å; F124-P126 HydrophobicContact CD1-CG 4.16Å; F124-P126 HydrophobicContact CE1-CB 4.15Å; F124-P126 HydrophobicContact CE1-CG 3.79Å; F124-P126 WeakPolarHBondContact O-CD 3.31Å | ||
| 125 | V | 82.8 | Confident | 80 | Confident | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -99 | 109.9 | 170.9 | -177 | 0 | 0 | 0 | 0 | 107.2 | L123 A127 | L123-V125 PolarHBondContact O-N 3Å; L123-V125 VanDerWaalsContact O-N 3.16Å; V125-A127 PolarHBondContact O-N 2.94Å | ||
| 126 | P | 85.6 | Confident | 80.9 | Confident | 88 Ų | 88 | 132.1 Ų | 132.1 | 57% | 0.571 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57 | 136.1 | 175.7 | -19.9 | 29.9 | 0 | 0 | 0 | 110.2 | F124 K128 | F124-P126 HydrophobicContact CD1-CG 4.16Å; F124-P126 HydrophobicContact CE1-CB 4.15Å; F124-P126 HydrophobicContact CE1-CG 3.79Å; F124-P126 WeakPolarHBondContact O-CD 3.31Å; P126-K128 PolarHBondContact O-N 3.44Å |
| 127 | A | 81.4 | Confident | 81.5 | Confident | 85 Ų | 85 | 130.1 Ų | 130.1 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 133 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | V125 S129 | V125-A127 PolarHBondContact O-N 2.94Å; A127-S129 PolarHBondContact O-N 3.24Å |
| 128 | K | 79.6 | Confident | 81.8 | Confident | 189 Ų | 189 | 129 Ų | 129 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 117 | 174.7 | -66.7 | -174.2 | 179.3 | -176.4 | 0 | 108.2 | P126 | P126-K128 PolarHBondContact O-N 3.44Š|
| 129 | S | 76.8 | Confident | 82.1 | Confident | 129 Ų | 129 | 130.6 Ų | 130.6 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | trans | -106.3 | 106.6 | 173.2 | -82.2 | 0 | 0 | 0 | 0 | 108.3 | A127 | A127-S129 PolarHBondContact O-N 3.24Š| ||
| 130 | G | 83.6 | Confident | 82.3 | Confident | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 171.9 | 149.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 131 | V | 81 | Confident | 82.4 | Confident | 136 Ų | 136 | 129.4 Ų | 129.4 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -83.8 | 111 | 165 | 178.9 | 0 | 0 | 0 | 0 | 105.6 | V133 | V131-V133 HydrophobicContact CG1-CG2 4.27Å; V131-V133 PolarHBondContact O-N 3.48Å | ||
| 132 | D | 80.9 | Confident | 82.8 | Confident | 137 Ų | 137 | 130.4 Ų | 130.4 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -67 | 121.6 | 174.8 | -67.8 | -26.9 | 0 | 0 | 0 | 108.2 | ||||
| 133 | V | 84.1 | Confident | 83.2 | Confident | 127 Ų | 127 | 131.6 Ų | 131.6 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -119.9 | 118.7 | 174 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | V131 | V131-V133 HydrophobicContact CG1-CG2 4.27Å; V131-V133 PolarHBondContact O-N 3.48Å | ||
| 134 | E | 83.9 | Confident | 83.8 | Confident | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -104.3 | 148 | 173.4 | 64 | -171.1 | 178.3 | 0 | 0 | 110.3 | ||||
| 135 | T | 81.2 | Confident | 84.3 | Confident | 135 Ų | 135 | 126.3 Ų | 126.3 | 83% | 0.828 | 71% | 0.71 | S | S | * | * | trans | -113.9 | 114.5 | 171.4 | 50.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 136 | Q | 85.6 | Confident | 84.8 | Confident | 139 Ų | 139 | 126.8 Ų | 126.8 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | -96 | 136.8 | 178.4 | -177.3 | 64.3 | 10.8 | 0 | 0 | 109.7 | ||||
| 137 | I | 87.9 | Confident | 85.2 | Confident | 105 Ų | 105 | 127.9 Ų | 127.9 | 54% | 0.538 | 71% | 0.709 | S | S | . | * | trans | -107 | 120.9 | 170.3 | -57.4 | 174.5 | 0 | 0 | 0 | 106.7 | D141 L142 | I137-D141 HydrophobicContact CG2-CB 4.13Å; I137-L142 HydrophobicContact CD1-CD1 4.27Å; I137-L142 HydrophobicContact CG2-CD1 3.78Å | ||
| 138 | E | 85 | Confident | 85.7 | Confident | 129 Ų | 129 | 129.1 Ų | 129.1 | 60% | 0.603 | 70% | 0.7 | S | S | * | * | trans | -82.2 | 157 | 177.1 | -63.2 | -62.2 | 156.4 | 0 | 0 | 111 | G140 D141 | E138-G140 PolarHBondContact O-N 3.35Å; E138-G140 VanDerWaalsContact O-N 3.15Å; E138-D141 WeakPolarHBondContact O-CB 3.49Å; E138-D141 PolarHBondContact O-N 3.08Å | ||
| 139 | E | 81.6 | Confident | 86.5 | Confident | 203 Ų | 203 | 121.9 Ų | 121.9 | 95% | 0.949 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 119.1 | 176.3 | -67.9 | -176.8 | 178.2 | 0 | 0 | 110.3 | ||
| 140 | G | 81.8 | Confident | 87.3 | Confident | 81 Ų | 81 | 121.5 Ų | 121.5 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.7 | 2.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E138 L142 | E138-G140 PolarHBondContact O-N 3.35Å; E138-G140 VanDerWaalsContact O-N 3.15Å; G140-L142 VanDerWaalsContact C-N 3.28Å |
| 141 | D | 83.1 | Confident | 87.9 | Confident | 116 Ų | 116 | 121.7 Ų | 121.7 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | trans | -84.6 | -6 | 170 | -165.6 | 39.2 | 0 | 0 | 0 | 112.5 | I137 E138 | I137-D141 HydrophobicContact CG2-CB 4.13Å; E138-D141 WeakPolarHBondContact O-CB 3.49Å; E138-D141 PolarHBondContact O-N 3.08Å | ||
| 142 | L | 88.8 | Confident | 88.7 | Confident | 123 Ų | 123 | 119.7 Ų | 119.7 | 64% | 0.644 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -76.1 | 137.6 | 175.5 | -129.5 | 72.2 | 0 | 0 | 0 | 110.6 | I137 G140 D144 | I137-L142 HydrophobicContact CD1-CD1 4.27Å; I137-L142 HydrophobicContact CG2-CD1 3.78Å; G140-L142 VanDerWaalsContact C-N 3.28Å; L142-D144 PolarHBondContact O-N 3.44Å |
| 143 | F | 89 | Confident | 89.4 | Confident | 140 Ų | 140 | 117.5 Ų | 117.5 | 61% | 0.614 | 62% | 0.621 | S | S | * | * | trans | -72 | 118.1 | 179.9 | 175.5 | -97.4 | 0 | 0 | 0 | 111.7 | F145 E148 | F143-F145 HydrophobicContact CD1-CB 4.35Å; F143-F145 VanDerWaalsContact CE1-CA 3.49Å; F143-F145 HydrophobicContact CE1-CB 3.89Å; F143-F145 AromaticContact CE1-CD2 3.92Å; F143-F145 HydrophobicContact CE1-CD2 3.92Å; F143-F145 HydrophobicContact CE1-CG 4.36Å; F143-F145 PolarHBondContact O-N 3.13Å; F143-E148 HydrophobicContact CD2-CB 4.36Å; F143-E148 HydrophobicContact CD2-CG 4.08Å; F143-E148 HydrophobicContact CE2-CB 3.41Å; F143-E148 VanDerWaalsContact CE2-CB 3.41Å; F143-E148 HydrophobicContact CE2-CG 3.58Å; F143-E148 HydrophobicContact CZ-CB 3.58Å; F143-E148 HydrophobicContact CZ-CG 4.2Å | ||
| 144 | D | 93 | Very high | 90 | Very high | 101 Ų | 101 | 118 Ų | 118 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | trans | -86.9 | 99.3 | 173.1 | -78.9 | -29.1 | 0 | 0 | 0 | 110.9 | L142 D146 L147 E148 | L142-D144 PolarHBondContact O-N 3.44Å; D144-D146 VanDerWaalsContact C-N 3.33Å; D144-D146 PolarHBondContact O-N 2.89Å; D144-L147 HydrophobicContact CB-CB 4.26Å; D144-L147 HydrophobicContact CB-CD1 4.06Å; D144-L147 HydrophobicContact CB-CG 4.32Å; D144-L147 PolarHBondContact O-N 3.03Å; D144-E148 WeakPolarHBondContact O-CG 3.35Å; D144-E148 PolarHBondContact O-N 2.98Å; D144-E148 VanDerWaalsContact O-N 3.11Å | ||
| 145 | F | 92.9 | Very high | 90.6 | Very high | 130 Ų | 130 | 113.3 Ų | 113.3 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -57.4 | -43.4 | -176.3 | -178.8 | -90.2 | 0 | 0 | 0 | 112.9 | F143 L147 E148 V149 | F143-F145 HydrophobicContact CD1-CB 4.35Å; F143-F145 VanDerWaalsContact CE1-CA 3.49Å; F143-F145 HydrophobicContact CE1-CB 3.89Å; F143-F145 AromaticContact CE1-CD2 3.92Å; F143-F145 HydrophobicContact CE1-CD2 3.92Å; F143-F145 HydrophobicContact CE1-CG 4.36Å; F143-F145 PolarHBondContact O-N 3.13Å; F145-L147 VanDerWaalsContact C-N 3.32Å; F145-L147 PolarHBondContact O-N 3.4Å; F145-E148 PolarHBondContact O-N 2.93Å; F145-V149 HydrophobicContact CD1-CB 4.45Å; F145-V149 HydrophobicContact CD1-CG1 4.21Å; F145-V149 HydrophobicContact CE1-CB 4.12Å; F145-V149 HydrophobicContact CE1-CG1 3.97Å; F145-V149 HydrophobicContact CE1-CG2 4.21Å; F145-V149 HydrophobicContact CE2-CG2 4.44Å; F145-V149 HydrophobicContact CZ-CB 4.14Å; F145-V149 HydrophobicContact CZ-CG1 4.47Å; F145-V149 HydrophobicContact CZ-CG2 3.89Å; F145-V149 VanDerWaalsContact O-CB 3.22Å; F145-V149 WeakPolarHBondContact O-CB 3.35Å; F145-V149 WeakPolarHBondContact O-CG1 3.48Å; F145-V149 PolarHBondContact O-N 2.94Å |
| 146 | D | 94.4 | Very high | 91.4 | Very high | 133 Ų | 133 | 111.8 Ų | 111.8 | 71% | 0.711 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -34.6 | -175.2 | -66.9 | -28.2 | 0 | 0 | 0 | 112.7 | D144 | D144-D146 VanDerWaalsContact C-N 3.33Å; D144-D146 PolarHBondContact O-N 2.89Å |
| 147 | L | 92.9 | Very high | 92 | Very high | 110 Ų | 110 | 108.7 Ų | 108.7 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.8 | -44.9 | 177.6 | -67.8 | 176.6 | 0 | 0 | 0 | 111.2 | D144 F145 Q150 P151 | D144-L147 HydrophobicContact CB-CB 4.26Å; D144-L147 HydrophobicContact CB-CD1 4.06Å; D144-L147 HydrophobicContact CB-CG 4.32Å; D144-L147 PolarHBondContact O-N 3.03Å; F145-L147 VanDerWaalsContact C-N 3.32Å; F145-L147 PolarHBondContact O-N 3.4Å; L147-Q150 WeakPolarHBondContact O-CB 3.39Å; L147-P151 WeakPolarHBondContact O-CD 3.34Å |
| 148 | E | 92.7 | Very high | 92.5 | Very high | 112 Ų | 112 | 105.5 Ų | 105.5 | 52% | 0.523 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -81 | -22.7 | -171.4 | -64.2 | -64.9 | -170.2 | 0 | 0 | 113.8 | F143 D144 F145 Q150 P151 | F143-E148 HydrophobicContact CD2-CB 4.36Å; F143-E148 HydrophobicContact CD2-CG 4.08Å; F143-E148 HydrophobicContact CE2-CB 3.41Å; F143-E148 VanDerWaalsContact CE2-CB 3.41Å; F143-E148 HydrophobicContact CE2-CG 3.58Å; F143-E148 HydrophobicContact CZ-CB 3.58Å; F143-E148 HydrophobicContact CZ-CG 4.2Å; D144-E148 WeakPolarHBondContact O-CG 3.35Å; D144-E148 PolarHBondContact O-N 2.98Å; D144-E148 VanDerWaalsContact O-N 3.11Å; F145-E148 PolarHBondContact O-N 2.93Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-P151 WeakPolarHBondContact O-CD 3.41Å |
| 149 | V | 96.1 | Very high | 93 | Very high | 36 Ų | 36 | 103.3 Ų | 103.3 | 22% | 0.218 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -75.7 | -24.9 | 175.4 | 77 | 0 | 0 | 0 | 0 | 112.5 | F145 V152 L153 | F145-V149 HydrophobicContact CD1-CB 4.45Å; F145-V149 HydrophobicContact CD1-CG1 4.21Å; F145-V149 HydrophobicContact CE1-CB 4.12Å; F145-V149 HydrophobicContact CE1-CG1 3.97Å; F145-V149 HydrophobicContact CE1-CG2 4.21Å; F145-V149 HydrophobicContact CE2-CG2 4.44Å; F145-V149 HydrophobicContact CZ-CB 4.14Å; F145-V149 HydrophobicContact CZ-CG1 4.47Å; F145-V149 HydrophobicContact CZ-CG2 3.89Å; F145-V149 VanDerWaalsContact O-CB 3.22Å; F145-V149 WeakPolarHBondContact O-CB 3.35Å; F145-V149 WeakPolarHBondContact O-CG1 3.48Å; F145-V149 PolarHBondContact O-N 2.94Å; V149-V152 WeakPolarHBondContact O-CB 3.41Å; V149-V152 PolarHBondContact O-N 2.83Å; V149-L153 HydrophobicContact CG1-CD1 4.12Å; V149-L153 HydrophobicContact CG2-CD1 3.81Å; V149-L153 HydrophobicContact CG2-CG 4.03Å; V149-L153 PolarHBondContact O-N 2.93Å |
| 150 | Q | 94.6 | Very high | 93.8 | Very high | 122 Ų | 122 | 97.6 Ų | 97.6 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -55.7 | -52 | -175.4 | -169.4 | 177.3 | -38.8 | 0 | 0 | 113.8 | L147 E148 V152 L153 E154 | L147-Q150 WeakPolarHBondContact O-CB 3.39Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-V152 VanDerWaalsContact C-N 3.27Å; Q150-V152 PolarHBondContact O-N 3.02Å; Q150-L153 PolarHBondContact O-N 2.88Å; Q150-E154 WeakPolarHBondContact O-CB 3.39Å; Q150-E154 PolarHBondContact O-N 3.21Å |
| 151 | P | 96.3 | Very high | 94.6 | Very high | 66 Ų | 66 | 98.6 Ų | 98.6 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -30.5 | 178.8 | 25.2 | -35.5 | 0 | 0 | 0 | 113 | L147 E148 V155 | L147-P151 WeakPolarHBondContact O-CD 3.34Å; E148-P151 WeakPolarHBondContact O-CD 3.41Å; P151-V155 VanDerWaalsContact O-CG2 3.32Å; P151-V155 WeakPolarHBondContact O-CG2 3.3Å; P151-V155 PolarHBondContact O-N 3.14Å |
| 152 | V | 96 | Very high | 95.2 | Very high | 93 Ų | 93 | 99 Ų | 99 | 56% | 0.564 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.6 | -47.5 | 177.9 | -179 | 0 | 0 | 0 | 0 | 110.3 | V149 Q150 L156 | V149-V152 WeakPolarHBondContact O-CB 3.41Å; V149-V152 PolarHBondContact O-N 2.83Å; Q150-V152 VanDerWaalsContact C-N 3.27Å; Q150-V152 PolarHBondContact O-N 3.02Å; V152-L156 VanDerWaalsContact O-CB 3.31Å; V152-L156 WeakPolarHBondContact O-CB 3.23Å; V152-L156 PolarHBondContact O-N 3.41Å |
| 153 | L | 96.8 | Very high | 95.7 | Very high | 91 Ų | 91 | 98.6 Ų | 98.6 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 178.6 | -77.2 | 169.4 | 0 | 0 | 0 | 111.8 | V149 Q150 V155 L156 V157 | V149-L153 HydrophobicContact CG1-CD1 4.12Å; V149-L153 HydrophobicContact CG2-CD1 3.81Å; V149-L153 HydrophobicContact CG2-CG 4.03Å; V149-L153 PolarHBondContact O-N 2.93Å; Q150-L153 PolarHBondContact O-N 2.88Å; L153-V155 VanDerWaalsContact C-N 3.35Å; L153-V155 PolarHBondContact O-N 3.24Å; L153-L156 PolarHBondContact O-N 2.75Å; L153-V157 WeakPolarHBondContact O-CB 3.35Å; L153-V157 VanDerWaalsContact O-CG2 3.32Å; L153-V157 WeakPolarHBondContact O-CG2 3.46Å; L153-V157 PolarHBondContact O-N 3.08Å |
| 154 | E | 95.9 | Very high | 96.1 | Very high | 138 Ų | 138 | 94.8 Ų | 94.8 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.1 | -47.6 | 179 | -175.9 | 175 | -178.1 | 0 | 0 | 111.4 | Q150 G158 | Q150-E154 WeakPolarHBondContact O-CB 3.39Å; Q150-E154 PolarHBondContact O-N 3.21Å; E154-G158 PolarHBondContact O-N 3Å |
| 155 | V | 97.7 | Very high | 96.3 | Very high | 76 Ų | 76 | 94.9 Ų | 94.9 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 178.1 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | P151 L153 K159 | P151-V155 VanDerWaalsContact O-CG2 3.32Å; P151-V155 WeakPolarHBondContact O-CG2 3.3Å; P151-V155 PolarHBondContact O-N 3.14Å; L153-V155 VanDerWaalsContact C-N 3.35Å; L153-V155 PolarHBondContact O-N 3.24Å; V155-K159 HydrophobicContact CG1-CD 3.81Å; V155-K159 HydrophobicContact CG1-CG 4.37Å; V155-K159 VanDerWaalsContact O-CB 3.29Å; V155-K159 WeakPolarHBondContact O-CB 3.35Å; V155-K159 VanDerWaalsContact O-CG 3.26Å; V155-K159 WeakPolarHBondContact O-CG 3.31Å; V155-K159 PolarHBondContact O-N 2.78Å |
| 156 | L | 97.9 | Very high | 96.5 | Very high | 104 Ų | 104 | 93.6 Ų | 93.6 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -47.7 | -177.4 | -173.1 | 134.8 | 0 | 0 | 0 | 111.7 | V152 L153 T160 | V152-L156 VanDerWaalsContact O-CB 3.31Å; V152-L156 WeakPolarHBondContact O-CB 3.23Å; V152-L156 PolarHBondContact O-N 3.41Å; L153-L156 PolarHBondContact O-N 2.75Å; L156-T160 WeakPolarHBondContact O-CB 3.19Å; L156-T160 PolarHBondContact O-N 2.73Å; L156-T160 PolarHBondContact O-OG1 3Å |
| 157 | V | 98.1 | Very high | 96.6 | Very high | 74 Ų | 74 | 91.8 Ų | 91.8 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 177.7 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | L153 K159 T160 I161 | L153-V157 WeakPolarHBondContact O-CB 3.35Å; L153-V157 VanDerWaalsContact O-CG2 3.32Å; L153-V157 WeakPolarHBondContact O-CG2 3.46Å; L153-V157 PolarHBondContact O-N 3.08Å; V157-K159 PolarHBondContact O-N 3.48Å; V157-T160 PolarHBondContact O-N 3.21Å; V157-I161 HydrophobicContact CG1-CD1 3.77Å; V157-I161 HydrophobicContact CG1-CG1 4.47Å; V157-I161 WeakPolarHBondContact O-CG1 3.42Å; V157-I161 PolarHBondContact O-N 3.11Å |
| 158 | G | 97.8 | Very high | 96.9 | Very high | 38 Ų | 38 | 90.8 Ų | 90.8 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.8 | -49.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E154 T160 I161 E162 | E154-G158 PolarHBondContact O-N 3Å; G158-T160 PolarHBondContact O-N 3.03Å; G158-I161 PolarHBondContact O-N 3.45Å; G158-E162 WeakPolarHBondContact O-CB 3.46Å; G158-E162 PolarHBondContact O-N 3.26Å |
| 159 | K | 96.8 | Very high | 97 | Very high | 83 Ų | 83 | 90.9 Ų | 90.9 | 36% | 0.361 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 178.5 | -75.2 | 178.3 | 176.7 | 178.8 | 0 | 113 | V155 V157 Q163 | V155-K159 HydrophobicContact CG1-CD 3.81Å; V155-K159 HydrophobicContact CG1-CG 4.37Å; V155-K159 VanDerWaalsContact O-CB 3.29Å; V155-K159 WeakPolarHBondContact O-CB 3.35Å; V155-K159 VanDerWaalsContact O-CG 3.26Å; V155-K159 WeakPolarHBondContact O-CG 3.31Å; V155-K159 PolarHBondContact O-N 2.78Å; V157-K159 PolarHBondContact O-N 3.48Å; K159-Q163 VanDerWaalsContact O-CB 3.22Å; K159-Q163 WeakPolarHBondContact O-CB 3.38Å; K159-Q163 PolarHBondContact O-N 3.44Å |
| 160 | T | 97.8 | Very high | 97 | Very high | 83 Ų | 83 | 93.3 Ų | 93.3 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | L156 V157 G158 S164 | L156-T160 WeakPolarHBondContact O-CB 3.19Å; L156-T160 PolarHBondContact O-N 2.73Å; L156-T160 PolarHBondContact O-OG1 3Å; V157-T160 PolarHBondContact O-N 3.21Å; G158-T160 PolarHBondContact O-N 3.03Å; T160-S164 WeakPolarHBondContact O-CB 3.48Å; T160-S164 PolarHBondContact O-N 3Å; T160-S164 PolarHBondContact O-OG 3.45Å |
| 161 | I | 97.8 | Very high | 97.1 | Very high | 102 Ų | 102 | 94 Ų | 94 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -48.7 | 178.4 | -66.1 | 171 | 0 | 0 | 0 | 110.4 | V157 G158 Q163 S164 L165 | V157-I161 HydrophobicContact CG1-CD1 3.77Å; V157-I161 HydrophobicContact CG1-CG1 4.47Å; V157-I161 WeakPolarHBondContact O-CG1 3.42Å; V157-I161 PolarHBondContact O-N 3.11Å; G158-I161 PolarHBondContact O-N 3.45Å; I161-Q163 PolarHBondContact O-N 3.47Å; I161-S164 WeakPolarHBondContact CA-OG 3.29Å; I161-S164 PolarHBondContact O-N 2.94Å; I161-S164 PolarHBondContact O-OG 2.86Å; I161-L165 WeakPolarHBondContact O-CB 3.3Å; I161-L165 PolarHBondContact O-N 2.93Å |
| 162 | E | 96.9 | Very high | 97.1 | Very high | 125 Ų | 125 | 97.8 Ų | 97.8 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 179.6 | -174 | -179 | 179.4 | 0 | 0 | 111.8 | G158 L165 L166 | G158-E162 WeakPolarHBondContact O-CB 3.46Å; G158-E162 PolarHBondContact O-N 3.26Å; E162-L165 PolarHBondContact O-N 3.44Å; E162-L166 HydrophobicContact CG-CD1 4.17Å; E162-L166 WeakPolarHBondContact O-CG 3.27Å; E162-L166 PolarHBondContact O-N 2.95Å; E162-L166 VanDerWaalsContact O-N 3.08Å |
| 163 | Q | 97.6 | Very high | 97.2 | Very high | 114 Ų | 114 | 97.9 Ų | 97.9 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 177.2 | -177.6 | 176.9 | -21.8 | 0 | 0 | 111.4 | K159 I161 L165 L166 E167 | K159-Q163 VanDerWaalsContact O-CB 3.22Å; K159-Q163 WeakPolarHBondContact O-CB 3.38Å; K159-Q163 PolarHBondContact O-N 3.44Å; I161-Q163 PolarHBondContact O-N 3.47Å; Q163-L165 VanDerWaalsContact C-N 3.3Å; Q163-L165 PolarHBondContact O-N 3.42Å; Q163-L166 PolarHBondContact O-N 3.02Å; Q163-E167 HydrophobicContact CG-CG 4.42Å; Q163-E167 VanDerWaalsContact CG-OE1 3.28Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.47Å; Q163-E167 PolarHBondContact NE2-OE1 3.36Å; Q163-E167 WeakPolarHBondContact O-CG 3.36Å; Q163-E167 PolarHBondContact O-N 3.41Å |
| 164 | S | 97.8 | Very high | 97.2 | Very high | 59 Ų | 59 | 96.5 Ų | 96.5 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 179.7 | 68.5 | 0 | 0 | 0 | 0 | 112.5 | T160 I161 V168 | T160-S164 WeakPolarHBondContact O-CB 3.48Å; T160-S164 PolarHBondContact O-N 3Å; T160-S164 PolarHBondContact O-OG 3.45Å; I161-S164 WeakPolarHBondContact CA-OG 3.29Å; I161-S164 PolarHBondContact O-N 2.94Å; I161-S164 PolarHBondContact O-OG 2.86Å; S164-V168 WeakPolarHBondContact O-CG2 3.33Å; S164-V168 PolarHBondContact O-N 3.46Å; S164-V168 VanDerWaalsContact O-N 3.14Å |
| 165 | L | 97.1 | Very high | 97.2 | Very high | 104 Ų | 104 | 92.6 Ų | 92.6 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 178.3 | -179.3 | 61.6 | 0 | 0 | 0 | 111.4 | I161 E162 Q163 V168 M169 | I161-L165 WeakPolarHBondContact O-CB 3.3Å; I161-L165 PolarHBondContact O-N 2.93Å; E162-L165 PolarHBondContact O-N 3.44Å; Q163-L165 VanDerWaalsContact C-N 3.3Å; Q163-L165 PolarHBondContact O-N 3.42Å; L165-V168 PolarHBondContact O-N 3.26Å; L165-M169 HydrophobicContact CD1-CG 4.42Å; L165-M169 HydrophobicContact CD1-SD 4.36Å; L165-M169 HydrophobicContact CG-SD 4.25Å; L165-M169 VanDerWaalsContact O-CG 3.29Å; L165-M169 WeakPolarHBondContact O-CG 3.45Å; L165-M169 PolarHBondContact O-N 3.26Å; L165-M169 VanDerWaalsContact O-N 3.08Å |
| 166 | L | 97.4 | Very high | 97.2 | Very high | 103 Ų | 103 | 93 Ų | 93 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 179.1 | -72.3 | 171.7 | 0 | 0 | 0 | 112.3 | E162 Q163 E170 | E162-L166 HydrophobicContact CG-CD1 4.17Å; E162-L166 WeakPolarHBondContact O-CG 3.27Å; E162-L166 PolarHBondContact O-N 2.95Å; E162-L166 VanDerWaalsContact O-N 3.08Å; Q163-L166 PolarHBondContact O-N 3.02Å; L166-E170 WeakPolarHBondContact O-CB 3.32Å; L166-E170 PolarHBondContact O-N 2.97Å |
| 167 | E | 96.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 91.4 Ų | 91.4 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 177.7 | -73.4 | 174.2 | -175.6 | 0 | 0 | 111.2 | Q163 M169 E170 E171 | Q163-E167 HydrophobicContact CG-CG 4.42Å; Q163-E167 VanDerWaalsContact CG-OE1 3.28Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.47Å; Q163-E167 PolarHBondContact NE2-OE1 3.36Å; Q163-E167 WeakPolarHBondContact O-CG 3.36Å; Q163-E167 PolarHBondContact O-N 3.41Å; E167-M169 VanDerWaalsContact C-N 3.34Å; E167-M169 PolarHBondContact O-N 2.69Å; E167-E170 PolarHBondContact O-N 2.96Å; E167-E171 WeakPolarHBondContact O-CG 3.37Å; E167-E171 PolarHBondContact O-N 2.87Å |
| 168 | V | 98.3 | Very high | 97.1 | Very high | 89 Ų | 89 | 95.4 Ų | 95.4 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | S164 L165 E170 E171 E172 | S164-V168 WeakPolarHBondContact O-CG2 3.33Å; S164-V168 PolarHBondContact O-N 3.46Å; S164-V168 VanDerWaalsContact O-N 3.14Å; L165-V168 PolarHBondContact O-N 3.26Å; V168-E170 PolarHBondContact O-N 3.08Å; V168-E171 PolarHBondContact O-N 2.98Å; V168-E172 PolarHBondContact O-N 3.42Å; V168-E172 VanDerWaalsContact O-N 3.08Å |
| 169 | M | 96.7 | Very high | 97.1 | Very high | 113 Ų | 113 | 95.4 Ų | 95.4 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 177.2 | -71.9 | -176.9 | 70.5 | 0 | 0 | 112.3 | L165 E167 E173 | L165-M169 HydrophobicContact CD1-CG 4.42Å; L165-M169 HydrophobicContact CD1-SD 4.36Å; L165-M169 HydrophobicContact CG-SD 4.25Å; L165-M169 VanDerWaalsContact O-CG 3.29Å; L165-M169 WeakPolarHBondContact O-CG 3.45Å; L165-M169 PolarHBondContact O-N 3.26Å; L165-M169 VanDerWaalsContact O-N 3.08Å; E167-M169 VanDerWaalsContact C-N 3.34Å; E167-M169 PolarHBondContact O-N 2.69Å; M169-E173 PolarHBondContact O-N 3.39Å; M169-E173 VanDerWaalsContact O-N 3.13Å |
| 170 | E | 95.9 | Very high | 97.1 | Very high | 88 Ų | 88 | 97.8 Ų | 97.8 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 177.1 | 179.7 | 166.4 | -153.5 | 0 | 0 | 111.8 | R37 L166 E167 V168 E173 L174 | R37-E170 IonicContact CZ-OE1 3.83Å; R37-E170 IonicContact NH2-OE1 2.73Å; R37-E170 PolarHBondContact NH2-OE1 2.9Å; L166-E170 WeakPolarHBondContact O-CB 3.32Å; L166-E170 PolarHBondContact O-N 2.97Å; E167-E170 PolarHBondContact O-N 2.96Å; V168-E170 PolarHBondContact O-N 3.08Å; E170-E173 PolarHBondContact O-N 2.95Å; E170-L174 HydrophobicContact CG-CD1 3.98Å; E170-L174 HydrophobicContact CG-CG 4.38Å; E170-L174 WeakPolarHBondContact O-CB 3.28Å; E170-L174 VanDerWaalsContact O-CG 3.27Å; E170-L174 WeakPolarHBondContact O-CG 3.37Å; E170-L174 PolarHBondContact O-N 3.03Å |
| 171 | E | 96.3 | Very high | 97 | Very high | 136 Ų | 136 | 98.6 Ų | 98.6 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 176.6 | -74.8 | -173.1 | 170.5 | 0 | 0 | 112.3 | E167 V168 L174 A175 | E167-E171 WeakPolarHBondContact O-CG 3.37Å; E167-E171 PolarHBondContact O-N 2.87Å; V168-E171 PolarHBondContact O-N 2.98Å; E171-L174 PolarHBondContact O-N 3.35Å; E171-A175 WeakPolarHBondContact O-CB 3.4Å; E171-A175 PolarHBondContact O-N 3.47Å |
| 172 | E | 96.6 | Very high | 97 | Very high | 145 Ų | 145 | 101.1 Ų | 101.1 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -45.2 | 177.4 | -170.8 | 178 | -176.7 | 0 | 0 | 111.7 | V168 L174 A175 C176 | V168-E172 PolarHBondContact O-N 3.42Å; V168-E172 VanDerWaalsContact O-N 3.08Å; E172-L174 VanDerWaalsContact C-N 3.34Å; E172-L174 PolarHBondContact O-N 3.5Å; E172-A175 PolarHBondContact O-N 3.47Å; E172-C176 PolarHBondContact O-N 3.47Å |
| 173 | E | 96.9 | Very high | 97 | Very high | 96 Ų | 96 | 99.9 Ų | 99.9 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.4 | -47.4 | 175.3 | -170.4 | -164.4 | 160.2 | 0 | 0 | 110.8 | M169 E170 A175 C176 L177 | M169-E173 PolarHBondContact O-N 3.39Å; M169-E173 VanDerWaalsContact O-N 3.13Å; E170-E173 PolarHBondContact O-N 2.95Å; E173-A175 VanDerWaalsContact C-N 3.34Å; E173-A175 PolarHBondContact O-N 2.93Å; E173-C176 PolarHBondContact O-N 2.91Å; E173-L177 HydrophobicContact CG-CD1 4.28Å; E173-L177 WeakPolarHBondContact O-CG 3.45Å; E173-L177 PolarHBondContact O-N 3.49Å |
| 174 | L | 97.3 | Very high | 97 | Very high | 62 Ų | 62 | 101 Ų | 101 | 33% | 0.325 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 178.6 | -74.9 | 173.3 | 0 | 0 | 0 | 112.2 | E170 E171 E172 R178 | E170-L174 HydrophobicContact CG-CD1 3.98Å; E170-L174 HydrophobicContact CG-CG 4.38Å; E170-L174 WeakPolarHBondContact O-CB 3.28Å; E170-L174 VanDerWaalsContact O-CG 3.27Å; E170-L174 WeakPolarHBondContact O-CG 3.37Å; E170-L174 PolarHBondContact O-N 3.03Å; E171-L174 PolarHBondContact O-N 3.35Å; E172-L174 VanDerWaalsContact C-N 3.34Å; E172-L174 PolarHBondContact O-N 3.5Å; L174-R178 VanDerWaalsContact O-CB 3.31Å; L174-R178 WeakPolarHBondContact O-CB 3.37Å; L174-R178 WeakPolarHBondContact O-CG 3.47Å; L174-R178 PolarHBondContact O-N 3.34Å |
| 175 | A | 96.8 | Very high | 97 | Very high | 56 Ų | 56 | 103.3 Ų | 103.3 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E171 E172 E173 R178 A179 | E171-A175 WeakPolarHBondContact O-CB 3.4Å; E171-A175 PolarHBondContact O-N 3.47Å; E172-A175 PolarHBondContact O-N 3.47Å; E173-A175 VanDerWaalsContact C-N 3.34Å; E173-A175 PolarHBondContact O-N 2.93Å; A175-R178 PolarHBondContact O-N 3Å; A175-A179 WeakPolarHBondContact O-CB 3.33Å; A175-A179 PolarHBondContact O-N 3.48Å |
| 176 | C | 97.1 | Very high | 97 | Very high | 85 Ų | 85 | 104 Ų | 104 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.2 | -50.8 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | E172 E173 R178 A179 Q180 | E172-C176 PolarHBondContact O-N 3.47Å; E173-C176 PolarHBondContact O-N 2.91Å; C176-R178 VanDerWaalsContact C-N 3.33Å; C176-R178 PolarHBondContact O-N 3.29Å; C176-A179 PolarHBondContact O-N 2.9Å; C176-Q180 PolarHBondContact O-N 3.02Å |
| 177 | L | 97.6 | Very high | 97 | Very high | 69 Ų | 69 | 103.5 Ų | 103.5 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 178.9 | -69 | 174.3 | 0 | 0 | 0 | 112.2 | E173 Q180 Q181 | E173-L177 HydrophobicContact CG-CD1 4.28Å; E173-L177 WeakPolarHBondContact O-CG 3.45Å; E173-L177 PolarHBondContact O-N 3.49Å; L177-Q180 PolarHBondContact O-N 2.87Å; L177-Q181 WeakPolarHBondContact O-CB 3.22Å; L177-Q181 VanDerWaalsContact O-CG 3.3Å; L177-Q181 WeakPolarHBondContact O-CG 3.39Å; L177-Q181 PolarHBondContact O-N 3.23Å |
| 178 | R | 96.9 | Very high | 97 | Very high | 158 Ų | 158 | 106.9 Ų | 106.9 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | 176.7 | -76.4 | 171.8 | 176.5 | 163 | 0.6 | 111.9 | L174 A175 C176 Q181 R182 | L174-R178 VanDerWaalsContact O-CB 3.31Å; L174-R178 WeakPolarHBondContact O-CB 3.37Å; L174-R178 WeakPolarHBondContact O-CG 3.47Å; L174-R178 PolarHBondContact O-N 3.34Å; A175-R178 PolarHBondContact O-N 3Å; C176-R178 VanDerWaalsContact C-N 3.33Å; C176-R178 PolarHBondContact O-N 3.29Å; R178-Q181 PolarHBondContact O-N 3.46Å; R178-R182 WeakPolarHBondContact O-CG 3.45Å; R178-R182 PolarHBondContact O-N 2.9Å |
| 179 | A | 97.4 | Very high | 96.9 | Very high | 38 Ų | 38 | 107.3 Ų | 107.3 | 31% | 0.314 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | A175 C176 Q181 R182 V183 | A175-A179 WeakPolarHBondContact O-CB 3.33Å; A175-A179 PolarHBondContact O-N 3.48Å; C176-A179 PolarHBondContact O-N 2.9Å; A179-Q181 PolarHBondContact O-N 3.03Å; A179-R182 PolarHBondContact O-N 3.42Å; A179-V183 WeakPolarHBondContact O-CG2 3.28Å; A179-V183 PolarHBondContact O-N 3.41Å |
| 180 | Q | 96.9 | Very high | 96.9 | Very high | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 176.6 | -169.8 | -178.2 | 18 | 0 | 0 | 112.2 | C176 L177 R182 V183 F184 | C176-Q180 PolarHBondContact O-N 3.02Å; L177-Q180 PolarHBondContact O-N 2.87Å; Q180-R182 PolarHBondContact O-N 3.44Å; Q180-V183 PolarHBondContact O-N 3.43Å; Q180-F184 WeakPolarHBondContact O-CB 3.49Å; Q180-F184 PolarHBondContact O-N 3.43Å |
| 181 | Q | 95.9 | Very high | 97 | Very high | 101 Ų | 101 | 108.1 Ų | 108.1 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.8 | -76.4 | 175 | 14.8 | 0 | 0 | 112.4 | L177 R178 A179 F184 Q185 | L177-Q181 WeakPolarHBondContact O-CB 3.22Å; L177-Q181 VanDerWaalsContact O-CG 3.3Å; L177-Q181 WeakPolarHBondContact O-CG 3.39Å; L177-Q181 PolarHBondContact O-N 3.23Å; R178-Q181 PolarHBondContact O-N 3.46Å; A179-Q181 PolarHBondContact O-N 3.03Å; Q181-F184 PolarHBondContact O-N 3.47Å; Q181-Q185 WeakPolarHBondContact O-CB 3.37Å; Q181-Q185 VanDerWaalsContact O-CG 3.23Å; Q181-Q185 WeakPolarHBondContact O-CG 3.29Å; Q181-Q185 PolarHBondContact O-N 2.91Å |
| 182 | R | 96.9 | Very high | 97 | Very high | 155 Ų | 155 | 106.1 Ų | 106.1 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -51.2 | 176.1 | -76.7 | -172.7 | -66.3 | 177.9 | 0.6 | 111.3 | R178 A179 Q180 F184 Q185 E186 | R178-R182 WeakPolarHBondContact O-CG 3.45Å; R178-R182 PolarHBondContact O-N 2.9Å; A179-R182 PolarHBondContact O-N 3.42Å; Q180-R182 PolarHBondContact O-N 3.44Å; R182-F184 VanDerWaalsContact C-N 3.29Å; R182-F184 PolarHBondContact O-N 3.25Å; R182-Q185 PolarHBondContact O-N 3.02Å; R182-Q185 VanDerWaalsContact O-N 3.14Å; R182-E186 WeakPolarHBondContact O-CB 3.49Å; R182-E186 WeakPolarHBondContact O-CG 3.32Å; R182-E186 PolarHBondContact O-N 2.98Å |
| 183 | V | 97.5 | Very high | 97.1 | Very high | 98 Ų | 98 | 101.8 Ų | 101.8 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.1 | -45 | 178.8 | 173.2 | 0 | 0 | 0 | 0 | 111 | A179 Q180 E186 L187 | A179-V183 WeakPolarHBondContact O-CG2 3.28Å; A179-V183 PolarHBondContact O-N 3.41Å; Q180-V183 PolarHBondContact O-N 3.43Å; V183-E186 PolarHBondContact O-N 3.19Å; V183-L187 PolarHBondContact O-N 3.17Å |
| 184 | F | 97.6 | Very high | 97 | Very high | 137 Ų | 137 | 101.8 Ų | 101.8 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 178.3 | -176.1 | -97.7 | 0 | 0 | 0 | 112.8 | Q180 Q181 R182 R188 | Q180-F184 WeakPolarHBondContact O-CB 3.49Å; Q180-F184 PolarHBondContact O-N 3.43Å; Q181-F184 PolarHBondContact O-N 3.47Å; R182-F184 VanDerWaalsContact C-N 3.29Å; R182-F184 PolarHBondContact O-N 3.25Å; F184-R188 WeakPolarHBondContact O-CB 3.31Å; F184-R188 PolarHBondContact O-N 2.88Å |
| 185 | Q | 96.8 | Very high | 97 | Very high | 108 Ų | 108 | 102.3 Ų | 102.3 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.3 | -76.5 | 173 | 8.9 | 0 | 0 | 111.9 | Q181 R182 R188 N189 | Q181-Q185 WeakPolarHBondContact O-CB 3.37Å; Q181-Q185 VanDerWaalsContact O-CG 3.23Å; Q181-Q185 WeakPolarHBondContact O-CG 3.29Å; Q181-Q185 PolarHBondContact O-N 2.91Å; R182-Q185 PolarHBondContact O-N 3.02Å; R182-Q185 VanDerWaalsContact O-N 3.14Å; Q185-R188 PolarHBondContact O-N 3.34Å; Q185-N189 VanDerWaalsContact O-CB 3.31Å; Q185-N189 WeakPolarHBondContact O-CB 3.35Å; Q185-N189 PolarHBondContact O-N 3.24Å; Q185-N189 PolarHBondContact O-ND2 3.46Å; Q185-N189 PolarHBondContact O-OD1 2.87Å |
| 186 | E | 96.9 | Very high | 96.9 | Very high | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -49 | 175.8 | -75.1 | 171.6 | -172.4 | 0 | 0 | 111 | R182 V183 R188 N189 N190 | R182-E186 WeakPolarHBondContact O-CB 3.49Å; R182-E186 WeakPolarHBondContact O-CG 3.32Å; R182-E186 PolarHBondContact O-N 2.98Å; V183-E186 PolarHBondContact O-N 3.19Å; E186-R188 PolarHBondContact O-N 2.84Å; E186-N189 PolarHBondContact O-N 3.33Å; E186-N190 PolarHBondContact O-N 3.45Å; E186-N190 PolarHBondContact O-ND2 3.1Å |
| 187 | L | 97.1 | Very high | 96.9 | Very high | 94 Ų | 94 | 106.6 Ų | 106.6 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 176.6 | -176.8 | 65.4 | 0 | 0 | 0 | 111.4 | V183 N189 N190 E191 | V183-L187 PolarHBondContact O-N 3.17Å; L187-N189 VanDerWaalsContact C-N 3.32Å; L187-N189 PolarHBondContact O-N 3.38Å; L187-N190 WeakPolarHBondContact O-CB 3.32Å; L187-N190 PolarHBondContact O-N 2.91Å; L187-E191 WeakPolarHBondContact O-CG 3.4Å; L187-E191 PolarHBondContact O-N 3.27Å |
| 188 | R | 97.2 | Very high | 96.8 | Very high | 165 Ų | 165 | 107.7 Ų | 107.7 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | 179.7 | -173 | -179.7 | -174.4 | -134.1 | 1.1 | 112.6 | F184 Q185 E186 L192 | F184-R188 WeakPolarHBondContact O-CB 3.31Å; F184-R188 PolarHBondContact O-N 2.88Å; Q185-R188 PolarHBondContact O-N 3.34Å; E186-R188 PolarHBondContact O-N 2.84Å; R188-L192 VanDerWaalsContact O-CB 3.3Å; R188-L192 WeakPolarHBondContact O-CB 3.49Å; R188-L192 PolarHBondContact O-N 2.95Å |
| 189 | N | 97.2 | Very high | 96.7 | Very high | 98 Ų | 98 | 105.7 Ų | 105.7 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 177.9 | -71.5 | -11.5 | 0 | 0 | 0 | 111.2 | Q185 E186 L187 L192 A193 | Q185-N189 VanDerWaalsContact O-CB 3.31Å; Q185-N189 WeakPolarHBondContact O-CB 3.35Å; Q185-N189 PolarHBondContact O-N 3.24Å; Q185-N189 PolarHBondContact O-ND2 3.46Å; Q185-N189 PolarHBondContact O-OD1 2.87Å; E186-N189 PolarHBondContact O-N 3.33Å; L187-N189 VanDerWaalsContact C-N 3.32Å; L187-N189 PolarHBondContact O-N 3.38Å; N189-L192 PolarHBondContact O-N 2.92Å; N189-A193 WeakPolarHBondContact O-CB 3.43Å; N189-A193 PolarHBondContact O-N 3.03Å |
| 190 | N | 97.3 | Very high | 96.6 | Very high | 107 Ų | 107 | 109.2 Ų | 109.2 | 57% | 0.572 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.1 | -46.7 | 174.9 | -69.1 | -24.8 | 0 | 0 | 0 | 111.4 | E186 L187 L192 A193 E194 | E186-N190 PolarHBondContact O-N 3.45Å; E186-N190 PolarHBondContact O-ND2 3.1Å; L187-N190 WeakPolarHBondContact O-CB 3.32Å; L187-N190 PolarHBondContact O-N 2.91Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.13Å; N190-A193 PolarHBondContact O-N 2.97Å; N190-E194 PolarHBondContact O-N 3.38Å |
| 191 | E | 96.8 | Very high | 96.5 | Very high | 111 Ų | 111 | 108.4 Ų | 108.4 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.7 | -72.5 | 175.6 | 172.2 | 0 | 0 | 111.5 | L187 A193 E194 V195 | L187-E191 WeakPolarHBondContact O-CG 3.4Å; L187-E191 PolarHBondContact O-N 3.27Å; E191-A193 VanDerWaalsContact C-N 3.35Å; E191-A193 PolarHBondContact O-N 3.35Å; E191-E194 PolarHBondContact O-N 2.95Å; E191-V195 WeakPolarHBondContact O-CG2 3.49Å; E191-V195 PolarHBondContact O-N 3.23Å |
| 192 | L | 97.4 | Very high | 96.4 | Very high | 94 Ų | 94 | 107.9 Ų | 107.9 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.7 | -176.6 | 63.7 | 0 | 0 | 0 | 111.8 | R188 N189 N190 V195 Q196 | R188-L192 VanDerWaalsContact O-CB 3.3Å; R188-L192 WeakPolarHBondContact O-CB 3.49Å; R188-L192 PolarHBondContact O-N 2.95Å; N189-L192 PolarHBondContact O-N 2.92Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.13Å; L192-V195 PolarHBondContact O-N 3.42Å; L192-Q196 WeakPolarHBondContact O-CB 3.46Å; L192-Q196 VanDerWaalsContact O-CG 3.27Å; L192-Q196 WeakPolarHBondContact O-CG 3.41Å; L192-Q196 PolarHBondContact O-N 3.19Å |
| 193 | A | 97 | Very high | 96.3 | Very high | 54 Ų | 54 | 107.9 Ų | 107.9 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | N189 N190 E191 Q196 R197 | N189-A193 WeakPolarHBondContact O-CB 3.43Å; N189-A193 PolarHBondContact O-N 3.03Å; N190-A193 PolarHBondContact O-N 2.97Å; E191-A193 VanDerWaalsContact C-N 3.35Å; E191-A193 PolarHBondContact O-N 3.35Å; A193-Q196 PolarHBondContact O-N 3.33Å; A193-R197 WeakPolarHBondContact O-CB 3.5Å; A193-R197 PolarHBondContact O-N 3.4Å |
| 194 | E | 95.6 | Very high | 96.1 | Very high | 97 Ų | 97 | 111.4 Ų | 111.4 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 174.5 | -81 | -62.6 | 152.6 | 0 | 0 | 112 | N190 E191 Q196 R197 L198 | N190-E194 PolarHBondContact O-N 3.38Å; E191-E194 PolarHBondContact O-N 2.95Å; E194-Q196 PolarHBondContact O-N 2.97Å; E194-R197 WeakPolarHBondContact O-CB 3.47Å; E194-R197 PolarHBondContact O-N 3.17Å; E194-R197 IonicContact OE1-NE 3.97Å; E194-R197 IonicContact OE2-CZ 3.62Å; E194-R197 IonicContact OE2-NE 3.18Å; E194-R197 PolarHBondContact OE2-NE 3.05Å; E194-R197 IonicContact OE2-NH2 3.13Å; E194-R197 PolarHBondContact OE2-NH2 3.41Å; E194-R197 VanDerWaalsContact OE2-NH2 3.13Å; E194-L198 WeakPolarHBondContact O-CG 3.31Å; E194-L198 PolarHBondContact O-N 3.35Å |
| 195 | V | 96.3 | Very high | 96 | Very high | 72 Ų | 72 | 111.9 Ų | 111.9 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | E191 L192 R197 L198 E199 | E191-V195 WeakPolarHBondContact O-CG2 3.49Å; E191-V195 PolarHBondContact O-N 3.23Å; L192-V195 PolarHBondContact O-N 3.42Å; V195-R197 VanDerWaalsContact C-N 3.32Å; V195-R197 PolarHBondContact O-N 2.97Å; V195-L198 PolarHBondContact O-N 3.11Å; V195-E199 HydrophobicContact CG1-CG 4.24Å; V195-E199 WeakPolarHBondContact O-CB 3.26Å; V195-E199 WeakPolarHBondContact O-CG 3.29Å; V195-E199 PolarHBondContact O-N 2.92Å |
| 196 | Q | 95.8 | Very high | 95.8 | Very high | 100 Ų | 100 | 113.8 Ų | 113.8 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 176.9 | -75.1 | 174.8 | 5.2 | 0 | 0 | 112 | L192 A193 E194 L198 E199 E200 | L192-Q196 WeakPolarHBondContact O-CB 3.46Å; L192-Q196 VanDerWaalsContact O-CG 3.27Å; L192-Q196 WeakPolarHBondContact O-CG 3.41Å; L192-Q196 PolarHBondContact O-N 3.19Å; A193-Q196 PolarHBondContact O-N 3.33Å; E194-Q196 PolarHBondContact O-N 2.97Å; Q196-L198 PolarHBondContact O-N 3.32Å; Q196-E199 PolarHBondContact O-N 3.02Å; Q196-E200 WeakPolarHBondContact O-CG 3.5Å; Q196-E200 PolarHBondContact O-N 3.19Å |
| 197 | R | 96.3 | Very high | 95.6 | Very high | 132 Ų | 132 | 112.8 Ų | 112.8 | 50% | 0.498 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.5 | -168.1 | -175.1 | 72.2 | 85.4 | 1.9 | 111.8 | A193 E194 V195 Q201 | A193-R197 WeakPolarHBondContact O-CB 3.5Å; A193-R197 PolarHBondContact O-N 3.4Å; E194-R197 WeakPolarHBondContact O-CB 3.47Å; E194-R197 PolarHBondContact O-N 3.17Å; E194-R197 IonicContact OE1-NE 3.97Å; E194-R197 IonicContact OE2-CZ 3.62Å; E194-R197 IonicContact OE2-NE 3.18Å; E194-R197 PolarHBondContact OE2-NE 3.05Å; E194-R197 IonicContact OE2-NH2 3.13Å; E194-R197 PolarHBondContact OE2-NH2 3.41Å; E194-R197 VanDerWaalsContact OE2-NH2 3.13Å; V195-R197 VanDerWaalsContact C-N 3.32Å; V195-R197 PolarHBondContact O-N 2.97Å; R197-Q201 PolarHBondContact O-N 3.44Å; R197-Q201 VanDerWaalsContact O-N 3.16Å |
| 198 | L | 96.1 | Very high | 95.4 | Very high | 92 Ų | 92 | 114.6 Ų | 114.6 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 178.1 | -70.4 | 172.8 | 0 | 0 | 0 | 112.1 | E194 V195 Q196 Q201 E202 | E194-L198 WeakPolarHBondContact O-CG 3.31Å; E194-L198 PolarHBondContact O-N 3.35Å; V195-L198 PolarHBondContact O-N 3.11Å; Q196-L198 PolarHBondContact O-N 3.32Å; L198-Q201 PolarHBondContact O-N 3.32Å; L198-E202 WeakPolarHBondContact O-CB 3.39Å; L198-E202 PolarHBondContact O-N 3.49Å |
| 199 | E | 95.6 | Very high | 95.1 | Very high | 116 Ų | 116 | 112.1 Ų | 112.1 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 176.6 | -76.2 | -178.6 | 170.2 | 0 | 0 | 112.1 | V195 Q196 E202 R203 | V195-E199 HydrophobicContact CG1-CG 4.24Å; V195-E199 WeakPolarHBondContact O-CB 3.26Å; V195-E199 WeakPolarHBondContact O-CG 3.29Å; V195-E199 PolarHBondContact O-N 2.92Å; Q196-E199 PolarHBondContact O-N 3.02Å; E199-E202 PolarHBondContact O-N 3.15Å; E199-R203 WeakPolarHBondContact O-CB 3.49Å; E199-R203 PolarHBondContact O-N 3.14Å |
| 200 | E | 94.9 | Very high | 94.8 | Very high | 111 Ų | 111 | 111.7 Ų | 111.7 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.6 | -75.7 | -175.8 | -176.1 | 0 | 0 | 112.2 | Q196 R203 R204 | Q196-E200 WeakPolarHBondContact O-CG 3.5Å; Q196-E200 PolarHBondContact O-N 3.19Å; E200-R203 PolarHBondContact O-N 2.96Å; E200-R204 WeakPolarHBondContact O-CG 3.22Å; E200-R204 PolarHBondContact O-N 3.36Å; E200-R204 VanDerWaalsContact O-N 3.08Å |
| 201 | Q | 94.2 | Very high | 94.3 | Very high | 117 Ų | 117 | 115 Ų | 115 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 175.5 | -172.5 | 176.9 | -0.6 | 0 | 0 | 111.5 | R197 L198 R203 R204 Y205 | R197-Q201 PolarHBondContact O-N 3.44Å; R197-Q201 VanDerWaalsContact O-N 3.16Å; L198-Q201 PolarHBondContact O-N 3.32Å; Q201-R203 VanDerWaalsContact C-N 3.33Å; Q201-R203 PolarHBondContact O-N 3.08Å; Q201-R204 PolarHBondContact O-N 3.43Å; Q201-Y205 WeakPolarHBondContact O-CB 3.49Å; Q201-Y205 PolarHBondContact O-N 3.32Å |
| 202 | E | 94.3 | Very high | 93.6 | Very high | 90 Ų | 90 | 111.5 Ų | 111.5 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176.9 | -161.7 | -91.8 | 146.6 | 0 | 0 | 111.3 | L198 E199 Y205 R206 | L198-E202 WeakPolarHBondContact O-CB 3.39Å; L198-E202 PolarHBondContact O-N 3.49Å; E199-E202 PolarHBondContact O-N 3.15Å; E202-Y205 PolarHBondContact O-N 3.16Å; E202-R206 VanDerWaalsContact CD-NH2 3.26Å; E202-R206 VanDerWaalsContact O-CB 3.3Å; E202-R206 WeakPolarHBondContact O-CB 3.43Å; E202-R206 PolarHBondContact O-N 3.01Å; E202-R206 IonicContact OE1-CZ 3.19Å; E202-R206 IonicContact OE1-NE 2.94Å; E202-R206 PolarHBondContact OE1-NE 3.05Å; E202-R206 IonicContact OE1-NH2 2.72Å; E202-R206 PolarHBondContact OE1-NH2 3.4Å; E202-R206 IonicContact OE2-CZ 3.5Å; E202-R206 IonicContact OE2-NE 3.75Å; E202-R206 IonicContact OE2-NH2 3.03Å; E202-R206 PolarHBondContact OE2-NH2 3.12Å |
| 203 | R | 95.6 | Very high | 92.8 | Very high | 155 Ų | 155 | 112.1 Ų | 112.1 | 59% | 0.585 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.1 | -50 | 174.3 | -171.9 | -171.8 | -56.3 | -170.8 | 3.8 | 111.6 | E199 E200 Q201 Y205 R206 E207 | E199-R203 WeakPolarHBondContact O-CB 3.49Å; E199-R203 PolarHBondContact O-N 3.14Å; E200-R203 PolarHBondContact O-N 2.96Å; Q201-R203 VanDerWaalsContact C-N 3.33Å; Q201-R203 PolarHBondContact O-N 3.08Å; R203-Y205 PolarHBondContact O-N 3.38Å; R203-R206 PolarHBondContact O-N 3.41Å; R203-E207 WeakPolarHBondContact O-CG 3.14Å; R203-E207 PolarHBondContact O-N 3.03Å |
| 204 | R | 93 | Very high | 91.8 | Very high | 171 Ų | 171 | 112.4 Ų | 112.4 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -47.1 | 177.8 | -70.3 | -176.8 | -171.7 | -165.4 | 4.7 | 111.6 | E200 Q201 R206 E207 E208 | E200-R204 WeakPolarHBondContact O-CG 3.22Å; E200-R204 PolarHBondContact O-N 3.36Å; E200-R204 VanDerWaalsContact O-N 3.08Å; Q201-R204 PolarHBondContact O-N 3.43Å; R204-R206 VanDerWaalsContact C-N 3.32Å; R204-R206 PolarHBondContact O-N 3.15Å; R204-E207 PolarHBondContact O-N 3.46Å; R204-E208 WeakPolarHBondContact O-CG 3.41Å; R204-E208 PolarHBondContact O-N 3.26Å |
| 205 | Y | 94.2 | Very high | 90.7 | Very high | 148 Ų | 148 | 112.8 Ų | 112.8 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | 178.5 | -179.9 | -104.1 | 0 | 0 | 0 | 112.3 | Q201 E202 R203 E208 K209 | Q201-Y205 WeakPolarHBondContact O-CB 3.49Å; Q201-Y205 PolarHBondContact O-N 3.32Å; E202-Y205 PolarHBondContact O-N 3.16Å; R203-Y205 PolarHBondContact O-N 3.38Å; Y205-E208 PolarHBondContact O-N 3.35Å; Y205-K209 WeakPolarHBondContact O-CB 3.49Å; Y205-K209 PolarHBondContact O-N 3.18Å |
| 206 | R | 93.2 | Very high | 89.5 | Confident | 148 Ų | 148 | 115 Ų | 115 | 56% | 0.558 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 177.4 | -167.4 | -177.3 | -70.7 | -175.6 | -1.8 | 111.4 | E202 R203 R204 K209 V210 | E202-R206 VanDerWaalsContact CD-NH2 3.26Å; E202-R206 VanDerWaalsContact O-CB 3.3Å; E202-R206 WeakPolarHBondContact O-CB 3.43Å; E202-R206 PolarHBondContact O-N 3.01Å; E202-R206 IonicContact OE1-CZ 3.19Å; E202-R206 IonicContact OE1-NE 2.94Å; E202-R206 PolarHBondContact OE1-NE 3.05Å; E202-R206 IonicContact OE1-NH2 2.72Å; E202-R206 PolarHBondContact OE1-NH2 3.4Å; E202-R206 IonicContact OE2-CZ 3.5Å; E202-R206 IonicContact OE2-NE 3.75Å; E202-R206 IonicContact OE2-NH2 3.03Å; E202-R206 PolarHBondContact OE2-NH2 3.12Å; R203-R206 PolarHBondContact O-N 3.41Å; R204-R206 VanDerWaalsContact C-N 3.32Å; R204-R206 PolarHBondContact O-N 3.15Å; R206-K209 PolarHBondContact O-N 2.76Å; R206-V210 VanDerWaalsContact O-CG2 3.29Å; R206-V210 WeakPolarHBondContact O-CG2 3.32Å; R206-V210 PolarHBondContact O-N 2.95Å |
| 207 | E | 93.2 | Very high | 87.8 | Confident | 97 Ų | 97 | 117.1 Ų | 117.1 | 45% | 0.453 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -44 | 175.1 | -72.5 | 173.1 | -166 | 0 | 0 | 112 | R203 R204 V210 R211 | R203-E207 WeakPolarHBondContact O-CG 3.14Å; R203-E207 PolarHBondContact O-N 3.03Å; R204-E207 PolarHBondContact O-N 3.46Å; E207-V210 PolarHBondContact O-N 3Å; E207-R211 WeakPolarHBondContact O-CG 3.5Å; E207-R211 PolarHBondContact O-N 3.2Å |
| 208 | E | 92 | Very high | 85.5 | Confident | 132 Ų | 132 | 120.6 Ų | 120.6 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.4 | -43.4 | 175.4 | -73.4 | 178.2 | -179.9 | 0 | 0 | 112.3 | R204 Y205 V210 R211 G212 | R204-E208 WeakPolarHBondContact O-CG 3.41Å; R204-E208 PolarHBondContact O-N 3.26Å; Y205-E208 PolarHBondContact O-N 3.35Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 3.35Å; E208-R211 PolarHBondContact O-N 3.38Å; E208-G212 PolarHBondContact O-N 3.03Å |
| 209 | K | 91.4 | Very high | 85 | Confident | 113 Ų | 113 | 122.1 Ų | 122.1 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.6 | -42 | 176.7 | -171.3 | 179.6 | 179.8 | -178.1 | 0 | 111.8 | Y205 R206 G212 Q213 | Y205-K209 WeakPolarHBondContact O-CB 3.49Å; Y205-K209 PolarHBondContact O-N 3.18Å; R206-K209 PolarHBondContact O-N 2.76Å; K209-G212 PolarHBondContact O-N 3.11Å; K209-Q213 WeakPolarHBondContact O-CB 3.41Å; K209-Q213 WeakPolarHBondContact O-CG 3.47Å; K209-Q213 PolarHBondContact O-N 3.29Å |
| 210 | V | 91.3 | Very high | 84.4 | Confident | 89 Ų | 89 | 122.4 Ų | 122.4 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.1 | -44 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | R206 E207 E208 Q213 A214 | R206-V210 VanDerWaalsContact O-CG2 3.29Å; R206-V210 WeakPolarHBondContact O-CG2 3.32Å; R206-V210 PolarHBondContact O-N 2.95Å; E207-V210 PolarHBondContact O-N 3Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 3.35Å; V210-Q213 PolarHBondContact O-N 3.15Å; V210-A214 WeakPolarHBondContact O-CB 3.49Å; V210-A214 PolarHBondContact O-N 3.33Å |
| 211 | R | 85.6 | Confident | 83.9 | Confident | 177 Ų | 177 | 123 Ų | 123 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.8 | -46.2 | 176 | -71.5 | 176.8 | -175.8 | -165.5 | 3.8 | 112.2 | E207 E208 Q213 A214 T215 | E207-R211 WeakPolarHBondContact O-CG 3.5Å; E207-R211 PolarHBondContact O-N 3.2Å; E208-R211 PolarHBondContact O-N 3.38Å; R211-Q213 PolarHBondContact O-N 3.04Å; R211-A214 PolarHBondContact O-N 2.83Å; R211-T215 PolarHBondContact O-N 3.35Å; R211-T215 VanDerWaalsContact O-N 3.09Å; R211-T215 PolarHBondContact O-OG1 3.08Å; R211-T215 VanDerWaalsContact O-OG1 3.11Å |
| 212 | G | 83.1 | Confident | 83.2 | Confident | 36 Ų | 36 | 123.4 Ų | 123.4 | 37% | 0.371 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.1 | -39.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E208 K209 T215 T216 | E208-G212 PolarHBondContact O-N 3.03Å; K209-G212 PolarHBondContact O-N 3.11Å; G212-T215 PolarHBondContact O-N 3.23Å; G212-T216 PolarHBondContact O-N 2.97Å; G212-T216 VanDerWaalsContact O-N 3.13Å; G212-T216 PolarHBondContact O-OG1 3.17Å |
| 213 | Q | 79.3 | Confident | 82.6 | Confident | 107 Ų | 107 | 125.4 Ų | 125.4 | 50% | 0.5 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.4 | -42.2 | 173.3 | -74.7 | -178.4 | -16.7 | 0 | 0 | 112 | K209 V210 R211 T215 T216 I217 | K209-Q213 WeakPolarHBondContact O-CB 3.41Å; K209-Q213 WeakPolarHBondContact O-CG 3.47Å; K209-Q213 PolarHBondContact O-N 3.29Å; V210-Q213 PolarHBondContact O-N 3.15Å; R211-Q213 PolarHBondContact O-N 3.04Å; Q213-T215 VanDerWaalsContact C-N 3.31Å; Q213-T215 PolarHBondContact O-N 3.44Å; Q213-T216 PolarHBondContact O-N 3.09Å; Q213-I217 WeakPolarHBondContact O-CD1 3.4Å; Q213-I217 VanDerWaalsContact O-CG1 3.28Å; Q213-I217 WeakPolarHBondContact O-CG1 3.49Å; Q213-I217 PolarHBondContact O-N 3.49Å |
| 214 | A | 76.3 | Confident | 81.7 | Confident | 60 Ų | 60 | 123.5 Ų | 123.5 | 50% | 0.496 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.3 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V210 R211 | V210-A214 WeakPolarHBondContact O-CB 3.49Å; V210-A214 PolarHBondContact O-N 3.33Å; R211-A214 PolarHBondContact O-N 2.83Å |
| 215 | T | 72.8 | Confident | 80.9 | Confident | 105 Ų | 105 | 120.1 Ų | 120.1 | 64% | 0.644 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.7 | -29.5 | 176.5 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | R211 G212 Q213 I217 | R211-T215 PolarHBondContact O-N 3.35Å; R211-T215 VanDerWaalsContact O-N 3.09Å; R211-T215 PolarHBondContact O-OG1 3.08Å; R211-T215 VanDerWaalsContact O-OG1 3.11Å; G212-T215 PolarHBondContact O-N 3.23Å; Q213-T215 VanDerWaalsContact C-N 3.31Å; Q213-T215 PolarHBondContact O-N 3.44Å; T215-I217 VanDerWaalsContact C-N 3.33Å |
| 216 | T | 71.4 | Confident | 79.9 | Confident | 118 Ų | 118 | 117.9 Ų | 117.9 | 72% | 0.724 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -80 | -15.1 | -178.1 | -53.7 | 0 | 0 | 0 | 0 | 112.9 | G212 Q213 | G212-T216 PolarHBondContact O-N 2.97Å; G212-T216 VanDerWaalsContact O-N 3.13Å; G212-T216 PolarHBondContact O-OG1 3.17Å; Q213-T216 PolarHBondContact O-N 3.09Å |
| 217 | I | 60 | Low | 78.8 | Confident | 146 Ų | 146 | 115.4 Ų | 115.4 | 75% | 0.749 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -0.6 | -177 | -67.6 | 170.6 | 0 | 0 | 0 | 112.4 | Q213 T215 | Q213-I217 WeakPolarHBondContact O-CD1 3.4Å; Q213-I217 VanDerWaalsContact O-CG1 3.28Å; Q213-I217 WeakPolarHBondContact O-CG1 3.49Å; Q213-I217 PolarHBondContact O-N 3.49Å; T215-I217 VanDerWaalsContact C-N 3.33Å |
| 218 | I | 48.8 | Very low | 77.4 | Confident | 205 Ų | 205 | 117.1 Ų | 117.1 | 100% | 1.051 | 62% | 0.623 | S | S | * | * | trans | -105.2 | 0 | 173.4 | -55.8 | 177.6 | 0 | 0 | 0 | 109.1 |
Retrieved 218 of 218 residues in 442.7 ms
(Link to these results)