| 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 | 59 | Low | 63.3 | Low | 235 Ų | 235 | 158.5 Ų | 158.5 | 100% | 1.158 | 77% | 0.774 | S | S | * | * | 0 | 122.3 | 0 | -72.7 | 175.5 | 170.1 | 0 | 0 | 107.2 | |||||
| 2 | P | 51.8 | Low | 63.8 | Low | 123 Ų | 123 | 153 Ų | 153 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | -71.8 | 141.7 | 174.9 | 29 | -30.9 | 0 | 0 | 0 | 110 | ||||
| 3 | P | 59.5 | Low | 64.1 | Low | 116 Ų | 116 | 150.5 Ų | 150.5 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -67.3 | 139.7 | -176.2 | 26 | -32.1 | 0 | 0 | 0 | 111.3 | F5 | P3-F5 PolarHBondContact O-N 3.38Å; P3-F5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | K | 66.6 | Low | 64.2 | Low | 194 Ų | 194 | 146.6 Ų | 146.6 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -72.1 | 102.1 | 176.4 | -71.7 | -176.4 | 176.2 | -177.4 | 0 | 109.2 | K6 | K4-K6 VanDerWaalsContact C-N 3.31Å; K4-K6 PolarHBondContact O-N 3.17Å | ||
| 5 | F | 68.2 | Low | 64.4 | Low | 184 Ų | 184 | 144.5 Ų | 144.5 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | trans | -63 | 95.1 | 162.3 | -110.6 | -93.4 | 0 | 0 | 0 | 108 | P3 R7 | P3-F5 PolarHBondContact O-N 3.38Å; P3-F5 VanDerWaalsContact O-N 3.12Å; F5-R7 VanDerWaalsContact C-N 3.29Å; F5-R7 PolarHBondContact O-N 2.9Å | ||
| 6 | K | 58.5 | Low | 64.3 | Low | 154 Ų | 154 | 138.5 Ų | 138.5 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | trans | -73.7 | 94.4 | 164.6 | -67.5 | -173 | -177.8 | -179.6 | 0 | 105.8 | K4 H8 | K4-K6 VanDerWaalsContact C-N 3.31Å; K4-K6 PolarHBondContact O-N 3.17Å; K6-H8 WeakPolarHBondContact CB-NE2 3.42Å; K6-H8 PolarHBondContact O-CD2 3.02Å; K6-H8 PolarHBondContact O-N 2.87Å | ||
| 7 | R | 66.2 | Low | 64.4 | Low | 214 Ų | 214 | 134.2 Ų | 134.2 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -67 | 90.3 | 167.7 | -69.5 | -179.6 | 173.9 | 138.1 | -3 | 106.3 | F5 L9 | F5-R7 VanDerWaalsContact C-N 3.29Å; F5-R7 PolarHBondContact O-N 2.9Å; R7-L9 PolarHBondContact O-N 3.32Å | ||
| 8 | H | 61.3 | Low | 64.6 | Low | 156 Ų | 156 | 131.6 Ų | 131.6 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | trans | -73.1 | 86.5 | 164.1 | -63.3 | -80.3 | 0 | 0 | 0 | 105.1 | K6 N10 | K6-H8 WeakPolarHBondContact CB-NE2 3.42Å; K6-H8 PolarHBondContact O-CD2 3.02Å; K6-H8 PolarHBondContact O-N 2.87Å; H8-N10 PolarHBondContact O-N 3.37Å | ||
| 9 | L | 63.5 | Low | 65 | Low | 130 Ų | 130 | 132.6 Ų | 132.6 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | trans | -64 | 113.7 | 160.4 | -109.9 | 86.3 | 0 | 0 | 0 | 104.8 | R7 | R7-L9 PolarHBondContact O-N 3.32Š| ||
| 10 | N | 70.8 | Confident | 65 | Low | 96 Ų | 96 | 129.7 Ų | 129.7 | 51% | 0.513 | 68% | 0.68 | S | S | . | * | trans | -81.9 | 130.3 | 177.2 | -155.6 | 31.4 | 0 | 0 | 0 | 106.8 | H8 D12 D13 | H8-N10 PolarHBondContact O-N 3.37Å; N10-D12 VanDerWaalsContact C-OD1 3.24Å; N10-D12 WeakPolarHBondContact CB-OD1 3.3Å; N10-D12 PolarHBondContact ND2-OD1 3.44Å; N10-D12 PolarHBondContact ND2-OD2 3.28Å; N10-D12 PolarHBondContact O-N 2.96Å; N10-D12 VanDerWaalsContact O-N 3.1Å; N10-D13 PolarHBondContact O-N 3.47Å; N10-D13 VanDerWaalsContact O-N 3.11Å | ||
| 11 | D | 70.7 | Confident | 65.2 | Low | 142 Ų | 142 | 129.6 Ų | 129.6 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.7 | -18 | -170.7 | -72.8 | -41.8 | 0 | 0 | 0 | 112.8 | ||
| 12 | D | 69.8 | Low | 65.8 | Low | 92 Ų | 92 | 127.1 Ų | 127.1 | 49% | 0.492 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69 | -34.9 | 174.2 | 56 | -15.3 | 0 | 0 | 0 | 113.4 | N10 V14 T15 | N10-D12 VanDerWaalsContact C-OD1 3.24Å; N10-D12 WeakPolarHBondContact CB-OD1 3.3Å; N10-D12 PolarHBondContact ND2-OD1 3.44Å; N10-D12 PolarHBondContact ND2-OD2 3.28Å; N10-D12 PolarHBondContact O-N 2.96Å; N10-D12 VanDerWaalsContact O-N 3.1Å; D12-V14 VanDerWaalsContact C-N 3.26Å; D12-V14 PolarHBondContact O-N 3.47Å; D12-T15 PolarHBondContact O-N 2.89Å; D12-T15 PolarHBondContact O-OG1 3.19Å |
| 13 | D | 67.3 | Low | 66.6 | Low | 121 Ų | 121 | 129.9 Ų | 129.9 | 65% | 0.647 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.6 | -34.1 | 179.6 | -82.9 | -21 | 0 | 0 | 0 | 112.4 | N10 T15 | N10-D13 PolarHBondContact O-N 3.47Å; N10-D13 VanDerWaalsContact O-N 3.11Å; D13-T15 VanDerWaalsContact C-N 3.3Å; D13-T15 PolarHBondContact O-N 3.1Å |
| 14 | V | 65.7 | Low | 67 | Low | 96 Ų | 96 | 130.5 Ų | 130.5 | 58% | 0.582 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.6 | -29.8 | -177.9 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | D12 | D12-V14 VanDerWaalsContact C-N 3.26Å; D12-V14 PolarHBondContact O-N 3.47Å |
| 15 | T | 67.5 | Low | 67 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 70% | 0.699 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -83.7 | -21.1 | -172.7 | 66.6 | 0 | 0 | 0 | 0 | 113.8 | D12 D13 | D12-T15 PolarHBondContact O-N 2.89Å; D12-T15 PolarHBondContact O-OG1 3.19Å; D13-T15 VanDerWaalsContact C-N 3.3Å; D13-T15 PolarHBondContact O-N 3.1Å |
| 16 | G | 63.1 | Low | 66.7 | Low | 49 Ų | 49 | 127 Ų | 127 | 51% | 0.505 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -81.1 | -32.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V18 | G16-V18 PolarHBondContact O-N 2.98Å |
| 17 | S | 65.2 | Low | 66.9 | Low | 65 Ų | 65 | 127.7 Ų | 127.7 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69 | -38.6 | -166.1 | -165.8 | 0 | 0 | 0 | 0 | 114.3 | K19 S20 | S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 2.97Å; S17-S20 PolarHBondContact O-OG 2.85Å |
| 18 | V | 68.1 | Low | 66.8 | Low | 87 Ų | 87 | 124.4 Ų | 124.4 | 53% | 0.527 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71 | -27.5 | -168.5 | -177.4 | 0 | 0 | 0 | 0 | 113.1 | G16 | G16-V18 PolarHBondContact O-N 2.98Å |
| 19 | K | 72.6 | Confident | 66.9 | Low | 152 Ų | 152 | 124.6 Ų | 124.6 | 66% | 0.661 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81.1 | -30.2 | -175.7 | -168.3 | 169.1 | -177.9 | 175.3 | 0 | 112.8 | S17 | S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 2.97Å |
| 20 | S | 65.2 | Low | 66.4 | Low | 74 Ų | 74 | 123.6 Ų | 123.6 | 52% | 0.517 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -70.9 | -41.6 | 176.7 | 34.8 | 0 | 0 | 0 | 0 | 112.3 | S17 R22 R23 N24 | S17-S20 PolarHBondContact O-OG 2.85Å; S20-R22 PolarHBondContact O-N 3.1Å; S20-R23 PolarHBondContact O-N 3.36Å; S20-N24 PolarHBondContact O-N 2.93Å |
| 21 | E | 69.6 | Low | 65.7 | Low | 127 Ų | 127 | 125.9 Ų | 125.9 | 59% | 0.593 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65 | -39 | -178.7 | -66.7 | -172.2 | 121.6 | 0 | 0 | 112.3 | R23 N24 L25 | E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 2.96Å; E21-N24 PolarHBondContact O-N 3.41Å; E21-L25 PolarHBondContact O-N 2.91Å |
| 22 | R | 69.7 | Low | 65.2 | Low | 184 Ų | 184 | 126.9 Ų | 126.9 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65.5 | -28 | 178.5 | -73.7 | -167.8 | -178.7 | -151.2 | 0.9 | 113.9 | S20 L26 | S20-R22 PolarHBondContact O-N 3.1Å; R22-L26 WeakPolarHBondContact O-CD1 3.44Å |
| 23 | R | 69.2 | Low | 64.6 | Low | 181 Ų | 181 | 132.2 Ų | 132.2 | 68% | 0.683 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -75.9 | -40 | 177.5 | -78.2 | -174.1 | 172.5 | -177.5 | -4.4 | 111.6 | S20 E21 L25 L26 | S20-R23 PolarHBondContact O-N 3.36Å; E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 2.96Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 3.35Å; R23-L26 PolarHBondContact O-N 3.31Å |
| 24 | N | 69 | Low | 64 | Low | 129 Ų | 129 | 134.5 Ų | 134.5 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -69.1 | -28.2 | -177.9 | -150.8 | 39.4 | 0 | 0 | 0 | 113 | S20 E21 L26 | S20-N24 PolarHBondContact O-N 2.93Å; E21-N24 PolarHBondContact O-N 3.41Å; N24-L26 VanDerWaalsContact C-N 3.31Å |
| 25 | L | 65 | Low | 63.5 | Low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -13 | 176.2 | -89.7 | 163.9 | 0 | 0 | 0 | 114.6 | E21 R23 | E21-L25 PolarHBondContact O-N 2.91Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 3.35Å |
| 26 | L | 63.2 | Low | 63.4 | Low | 157 Ų | 157 | 138.4 Ų | 138.4 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -2.1 | -176.4 | -108.5 | 133.1 | 0 | 0 | 0 | 112.9 | R22 R23 N24 | R22-L26 WeakPolarHBondContact O-CD1 3.44Å; R23-L26 PolarHBondContact O-N 3.31Å; N24-L26 VanDerWaalsContact C-N 3.31Å |
| 27 | E | 62.7 | Low | 63.4 | Low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -113.6 | 3.1 | -172.1 | -157.4 | 162.4 | -172 | 0 | 0 | 113.7 | ||
| 28 | D | 63.7 | Low | 63.1 | Low | 144 Ų | 144 | 148.1 Ų | 148.1 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -121.8 | 76.1 | -178.4 | -166 | 52.2 | 0 | 0 | 0 | 110.7 | ||
| 29 | D | 63.1 | Low | 62.5 | Low | 160 Ų | 160 | 155.4 Ų | 155.4 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | -165.4 | 43.5 | 170.9 | -126.9 | 4 | 0 | 0 | 0 | 115.4 | ||||
| 30 | S | 53.1 | Low | 61.9 | Low | 110 Ų | 110 | 150.9 Ų | 150.9 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -145.9 | 31.4 | -174.4 | -67.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 31 | D | 57.2 | Low | 61.8 | Low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -153.1 | 106.6 | 175.5 | -38.3 | 59.2 | 0 | 0 | 0 | 112.3 | ||
| 32 | E | 59.8 | Low | 61.2 | Low | 162 Ų | 162 | 153.5 Ų | 153.5 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | 80.2 | 53.1 | 143.5 | -55.3 | 174.2 | -179.6 | 0 | 0 | 119.2 | E34 | E32-E34 PolarHBondContact O-N 3.32Š| ||
| 33 | E | 57 | Low | 60.8 | Low | 204 Ų | 204 | 147.9 Ų | 147.9 | 95% | 0.953 | 77% | 0.772 | S | S | * | * | trans | -75.9 | 65.6 | 144.3 | -71.9 | -174.9 | -179.6 | 0 | 0 | 109.7 | D35 | E33-D35 PolarHBondContact O-N 3.45Š| ||
| 34 | E | 53.9 | Low | 60.4 | Low | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -68.9 | 94.4 | 169.2 | -73.2 | -160.1 | 160.4 | 0 | 0 | 110.2 | E32 F36 | E32-E34 PolarHBondContact O-N 3.32Å; E34-F36 PolarHBondContact O-N 3.35Å | ||
| 35 | D | 56.5 | Low | 59.8 | Low | 104 Ų | 104 | 150.9 Ų | 150.9 | 56% | 0.556 | 79% | 0.79 | S | S | * | * | trans | 49.8 | 62.8 | 137.8 | -112.9 | -0.8 | 0 | 0 | 0 | 117.7 | E33 F37 L38 | E33-D35 PolarHBondContact O-N 3.45Å; D35-F37 PolarHBondContact O-N 2.91Å; D35-F37 VanDerWaalsContact O-N 3.08Å; D35-L38 HydrophobicContact CB-CD1 4.28Å; D35-L38 HydrophobicContact CB-CG 4.4Å; D35-L38 WeakPolarHBondContact OD2-CD1 3.26Å | ||
| 36 | F | 64.8 | Low | 59.5 | Low | 187 Ų | 187 | 152.6 Ų | 152.6 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -54.4 | -21.6 | 164.6 | 177.8 | -103 | 0 | 0 | 0 | 113.5 | E34 L38 | E34-F36 PolarHBondContact O-N 3.35Å; F36-L38 PolarHBondContact O-N 3.49Å |
| 37 | F | 62.1 | Low | 59.1 | Low | 179 Ų | 179 | 147.1 Ų | 147.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -83 | -6.4 | -169.7 | -72.2 | -83.2 | 0 | 0 | 0 | 116.1 | D35 | D35-F37 PolarHBondContact O-N 2.91Å; D35-F37 VanDerWaalsContact O-N 3.08Å |
| 38 | L | 60.4 | Low | 59 | Low | 140 Ų | 140 | 143.3 Ų | 143.3 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -87.9 | -4.8 | -173.3 | -68.1 | -179 | 0 | 0 | 0 | 116.3 | D35 F36 G40 | D35-L38 HydrophobicContact CB-CD1 4.28Å; D35-L38 HydrophobicContact CB-CG 4.4Å; D35-L38 WeakPolarHBondContact OD2-CD1 3.26Å; F36-L38 PolarHBondContact O-N 3.49Å; L38-G40 PolarHBondContact O-N 2.99Å |
| 39 | R | 55 | Low | 59.1 | Low | 240 Ų | 240 | 146.4 Ų | 146.4 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -101.5 | 80 | 174.6 | -162 | 161.8 | -178.8 | 168 | -1.5 | 111.6 | ||
| 40 | G | 59.5 | Low | 59.4 | Low | 57 Ų | 57 | 143.5 Ų | 143.5 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | trans | -53.5 | 144.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L38 S42 | L38-G40 PolarHBondContact O-N 2.99Å; G40-S42 PolarHBondContact O-N 3.47Å | ||
| 41 | P | 62.8 | Low | 60.5 | Low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -74.5 | 118.8 | -173.4 | 27.2 | -32 | 0 | 0 | 0 | 111.9 | G43 | P41-G43 PolarHBondContact O-N 3.25Å; P41-G43 VanDerWaalsContact O-N 3.1Å | ||
| 42 | S | 57.3 | Low | 61.4 | Low | 124 Ų | 124 | 140.5 Ų | 140.5 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | trans | -62.3 | 107.9 | 163.4 | -68.9 | 0 | 0 | 0 | 0 | 109.5 | G40 | G40-S42 PolarHBondContact O-N 3.47Š| ||
| 43 | G | 61.4 | Low | 62.3 | Low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P41 | P41-G43 PolarHBondContact O-N 3.25Å; P41-G43 VanDerWaalsContact O-N 3.1Å |
| 44 | P | 60.1 | Low | 63.5 | Low | 128 Ų | 128 | 132.6 Ų | 132.6 | 83% | 0.831 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 137.4 | 179.2 | -12.2 | 27.6 | 0 | 0 | 0 | 113.3 | ||
| 45 | R | 56.9 | Low | 64.8 | Low | 246 Ų | 246 | 130 Ų | 130 | 93% | 0.928 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140.3 | 176.8 | -64.5 | -177.9 | 170.5 | -179.1 | -3.1 | 112.4 | G47 | R45-G47 PolarHBondContact O-N 2.96Å; R45-G47 VanDerWaalsContact O-N 3.17Å |
| 46 | F | 59.5 | Low | 66 | Low | 184 Ų | 184 | 129 Ų | 129 | 81% | 0.807 | 67% | 0.667 | S | S | * | * | trans | -78.4 | 92.2 | 176 | -72.5 | -96.3 | 0 | 0 | 0 | 111.7 | ||||
| 47 | G | 55.5 | Low | 66.8 | Low | 41 Ų | 41 | 125.5 Ų | 125.5 | 42% | 0.423 | 65% | 0.653 | S | S | . | * | trans | -71.5 | 168 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R45 R49 | R45-G47 PolarHBondContact O-N 2.96Å; R45-G47 VanDerWaalsContact O-N 3.17Å; G47-R49 PolarHBondContact O-N 2.85Å | ||
| 48 | P | 59.8 | Low | 68 | Low | 89 Ų | 89 | 122 Ų | 122 | 58% | 0.578 | 64% | 0.643 | S | S | * | * | trans | -63.7 | 130.8 | -166.3 | 26.3 | -30.9 | 0 | 0 | 0 | 111.1 | N50 D51 | P48-N50 PolarHBondContact O-N 3.46Å; P48-D51 WeakPolarHBondContact CD-OD2 3.44Å; P48-D51 VanDerWaalsContact CG-OD2 3.3Å; P48-D51 WeakPolarHBondContact CG-OD2 3.29Å; P48-D51 WeakPolarHBondContact O-CB 3.39Å; P48-D51 PolarHBondContact O-N 3.32Å | ||
| 49 | R | 65.1 | Low | 69.2 | Low | 209 Ų | 209 | 119.5 Ų | 119.5 | 79% | 0.789 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -46.4 | -28.6 | -170.6 | -174.2 | 179.7 | -71.1 | -128.8 | 0.3 | 115.4 | G47 D51 K52 I53 | G47-R49 PolarHBondContact O-N 2.85Å; R49-D51 VanDerWaalsContact C-N 3.3Å; R49-D51 PolarHBondContact O-N 2.97Å; R49-K52 PolarHBondContact O-N 3.08Å; R49-I53 PolarHBondContact O-N 3.32Å |
| 50 | N | 69.4 | Low | 70.7 | Confident | 98 Ų | 98 | 111.6 Ų | 111.6 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.5 | -33.9 | 178.9 | -152.8 | 25 | 0 | 0 | 0 | 112.4 | P48 K52 I53 K54 | P48-N50 PolarHBondContact O-N 3.46Å; N50-K52 VanDerWaalsContact C-N 3.3Å; N50-K52 PolarHBondContact O-N 3.36Å; N50-I53 PolarHBondContact O-N 3.48Å; N50-K54 WeakPolarHBondContact O-CG 3.46Å; N50-K54 PolarHBondContact O-N 2.82Å |
| 51 | D | 75.5 | Confident | 72.1 | Confident | 92 Ų | 92 | 113.7 Ų | 113.7 | 49% | 0.492 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.5 | -36.8 | 177.1 | -62.1 | -19.3 | 0 | 0 | 0 | 110.6 | P48 R49 H55 | P48-D51 WeakPolarHBondContact CD-OD2 3.44Å; P48-D51 VanDerWaalsContact CG-OD2 3.3Å; P48-D51 WeakPolarHBondContact CG-OD2 3.29Å; P48-D51 WeakPolarHBondContact O-CB 3.39Å; P48-D51 PolarHBondContact O-N 3.32Å; R49-D51 VanDerWaalsContact C-N 3.3Å; R49-D51 PolarHBondContact O-N 2.97Å; D51-H55 WeakPolarHBondContact O-CB 3.49Å; D51-H55 PolarHBondContact O-N 3.23Å |
| 52 | K | 77.6 | Confident | 73.4 | Confident | 100 Ų | 100 | 113.8 Ų | 113.8 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.5 | -43.7 | 176.5 | -60 | -172.1 | 178.5 | -164.1 | 0 | 111.8 | R49 N50 H55 V56 | R49-K52 PolarHBondContact O-N 3.08Å; N50-K52 VanDerWaalsContact C-N 3.3Å; N50-K52 PolarHBondContact O-N 3.36Å; K52-H55 PolarHBondContact O-N 3.48Å; K52-V56 VanDerWaalsContact O-CG2 3.26Å; K52-V56 WeakPolarHBondContact O-CG2 3.08Å; K52-V56 PolarHBondContact O-N 2.97Å |
| 53 | I | 79.3 | Confident | 74.9 | Confident | 87 Ų | 87 | 112.2 Ų | 112.2 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.9 | -46.2 | 179.6 | -64.2 | 176.4 | 0 | 0 | 0 | 110.6 | R49 N50 H55 V56 Q57 | R49-I53 PolarHBondContact O-N 3.32Å; N50-I53 PolarHBondContact O-N 3.48Å; I53-H55 VanDerWaalsContact C-N 3.28Å; I53-H55 PolarHBondContact O-N 2.81Å; I53-V56 PolarHBondContact O-N 2.86Å; I53-Q57 WeakPolarHBondContact O-CG 3.38Å; I53-Q57 PolarHBondContact O-N 3.16Å |
| 54 | K | 81.4 | Confident | 76.3 | Confident | 112 Ų | 112 | 113.5 Ų | 113.5 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.3 | -40.4 | 175.3 | -72 | -178.6 | 178 | -174 | 0 | 111.9 | N50 Q57 N58 | N50-K54 WeakPolarHBondContact O-CG 3.46Å; N50-K54 PolarHBondContact O-N 2.82Å; K54-Q57 PolarHBondContact O-N 3.47Å; K54-N58 WeakPolarHBondContact O-CB 3.32Å; K54-N58 VanDerWaalsContact O-CG 3.27Å; K54-N58 PolarHBondContact O-N 2.97Å; K54-N58 PolarHBondContact O-OD1 3.05Å |
| 55 | H | 81.1 | Confident | 77.9 | Confident | 115 Ų | 115 | 112.6 Ų | 112.6 | 53% | 0.532 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.6 | -40.9 | 176 | -174.6 | 55 | 0 | 0 | 0 | 111.9 | D51 K52 I53 Q59 | D51-H55 WeakPolarHBondContact O-CB 3.49Å; D51-H55 PolarHBondContact O-N 3.23Å; K52-H55 PolarHBondContact O-N 3.48Å; I53-H55 VanDerWaalsContact C-N 3.28Å; I53-H55 PolarHBondContact O-N 2.81Å; H55-Q59 PolarHBondContact CD2-NE2 3.23Å; H55-Q59 PolarHBondContact CE1-NE2 2.8Å; H55-Q59 PolarHBondContact NE2-NE2 3.45Å; H55-Q59 WeakPolarHBondContact O-CB 3.21Å; H55-Q59 VanDerWaalsContact O-CG 3.29Å; H55-Q59 WeakPolarHBondContact O-CG 3.48Å; H55-Q59 PolarHBondContact O-N 3.35Å |
| 56 | V | 82 | Confident | 79.6 | Confident | 83 Ų | 83 | 104 Ų | 104 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | K52 I53 Q59 V60 | K52-V56 VanDerWaalsContact O-CG2 3.26Å; K52-V56 WeakPolarHBondContact O-CG2 3.08Å; K52-V56 PolarHBondContact O-N 2.97Å; I53-V56 PolarHBondContact O-N 2.86Å; V56-Q59 PolarHBondContact O-N 2.81Å; V56-V60 HydrophobicContact CG1-CG2 4.5Å; V56-V60 VanDerWaalsContact O-CG2 3.32Å; V56-V60 WeakPolarHBondContact O-CG2 3.48Å; V56-V60 PolarHBondContact O-N 3.43Å |
| 57 | Q | 82.1 | Confident | 81 | Confident | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 175.7 | -73.8 | 176 | -4.8 | 0 | 0 | 111.5 | I53 K54 Q59 V60 D61 | I53-Q57 WeakPolarHBondContact O-CG 3.38Å; I53-Q57 PolarHBondContact O-N 3.16Å; K54-Q57 PolarHBondContact O-N 3.47Å; Q57-Q59 VanDerWaalsContact C-N 3.3Å; Q57-Q59 PolarHBondContact O-N 3.18Å; Q57-V60 PolarHBondContact O-N 2.93Å; Q57-V60 VanDerWaalsContact O-N 3.1Å; Q57-D61 PolarHBondContact O-N 3.49Å |
| 58 | N | 86.9 | Confident | 82.8 | Confident | 105 Ų | 105 | 104 Ų | 104 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -38.2 | 176.9 | -68.6 | 4.2 | 0 | 0 | 0 | 112.2 | K54 D61 E62 | K54-N58 WeakPolarHBondContact O-CB 3.32Å; K54-N58 VanDerWaalsContact O-CG 3.27Å; K54-N58 PolarHBondContact O-N 2.97Å; K54-N58 PolarHBondContact O-OD1 3.05Å; N58-D61 PolarHBondContact O-N 3.01Å; N58-E62 WeakPolarHBondContact O-CB 3.21Å; N58-E62 PolarHBondContact O-N 3.02Å |
| 59 | Q | 84.1 | Confident | 84.4 | Confident | 88 Ų | 88 | 104.5 Ų | 104.5 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 174.6 | -79.6 | 178.9 | 58.9 | 0 | 0 | 112.1 | H55 V56 Q57 V63 | H55-Q59 PolarHBondContact CD2-NE2 3.23Å; H55-Q59 PolarHBondContact CE1-NE2 2.8Å; H55-Q59 PolarHBondContact NE2-NE2 3.45Å; H55-Q59 WeakPolarHBondContact O-CB 3.21Å; H55-Q59 VanDerWaalsContact O-CG 3.29Å; H55-Q59 WeakPolarHBondContact O-CG 3.48Å; H55-Q59 PolarHBondContact O-N 3.35Å; V56-Q59 PolarHBondContact O-N 2.81Å; Q57-Q59 VanDerWaalsContact C-N 3.3Å; Q57-Q59 PolarHBondContact O-N 3.18Å; Q59-V63 WeakPolarHBondContact O-CB 3.39Å; Q59-V63 WeakPolarHBondContact O-CG2 3.32Å; Q59-V63 PolarHBondContact O-N 3.01Å |
| 60 | V | 86.7 | Confident | 85.8 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | V56 Q57 E62 V63 I64 | V56-V60 HydrophobicContact CG1-CG2 4.5Å; V56-V60 VanDerWaalsContact O-CG2 3.32Å; V56-V60 WeakPolarHBondContact O-CG2 3.48Å; V56-V60 PolarHBondContact O-N 3.43Å; Q57-V60 PolarHBondContact O-N 2.93Å; Q57-V60 VanDerWaalsContact O-N 3.1Å; V60-E62 VanDerWaalsContact C-N 3.34Å; V60-E62 PolarHBondContact O-N 3.45Å; V60-V63 PolarHBondContact O-N 3.42Å; V60-I64 HydrophobicContact CG1-CD1 3.69Å; V60-I64 HydrophobicContact CG1-CG1 4.3Å; V60-I64 WeakPolarHBondContact O-CB 3.29Å; V60-I64 WeakPolarHBondContact O-CG1 3.19Å; V60-I64 PolarHBondContact O-N 3.48Å |
| 61 | D | 90.1 | Very high | 86.9 | Confident | 100 Ų | 100 | 97.4 Ų | 97.4 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.4 | -68.6 | -28 | 0 | 0 | 0 | 111.7 | Q57 N58 I64 D65 | Q57-D61 PolarHBondContact O-N 3.49Å; N58-D61 PolarHBondContact O-N 3.01Å; D61-I64 PolarHBondContact O-N 3.46Å; D61-D65 PolarHBondContact O-N 2.85Å |
| 62 | E | 90.6 | Very high | 87.7 | Confident | 133 Ų | 133 | 96.9 Ų | 96.9 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 174.1 | -176.5 | 178.2 | -177.7 | 0 | 0 | 111.8 | N58 V60 I64 D65 V66 | N58-E62 WeakPolarHBondContact O-CB 3.21Å; N58-E62 PolarHBondContact O-N 3.02Å; V60-E62 VanDerWaalsContact C-N 3.34Å; V60-E62 PolarHBondContact O-N 3.45Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 3.48Å; E62-D65 PolarHBondContact O-N 2.83Å; E62-V66 WeakPolarHBondContact O-CG2 3.37Å; E62-V66 PolarHBondContact O-N 3.43Å |
| 63 | V | 88.1 | Confident | 88.4 | Confident | 91 Ų | 91 | 96.8 Ų | 96.8 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.1 | -34.2 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | Q59 V60 V66 M67 | Q59-V63 WeakPolarHBondContact O-CB 3.39Å; Q59-V63 WeakPolarHBondContact O-CG2 3.32Å; Q59-V63 PolarHBondContact O-N 3.01Å; V60-V63 PolarHBondContact O-N 3.42Å; V63-V66 PolarHBondContact O-N 3.26Å; V63-M67 HydrophobicContact CG1-CG 4.42Å; V63-M67 WeakPolarHBondContact O-CB 3.48Å; V63-M67 VanDerWaalsContact O-CG 3.29Å; V63-M67 WeakPolarHBondContact O-CG 3.42Å; V63-M67 PolarHBondContact O-N 2.86Å |
| 64 | I | 90.8 | Very high | 89.1 | Confident | 94 Ų | 94 | 96.9 Ų | 96.9 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 174.3 | -71.3 | 165.6 | 0 | 0 | 0 | 110.3 | V60 D61 E62 M67 Q68 | V60-I64 HydrophobicContact CG1-CD1 3.69Å; V60-I64 HydrophobicContact CG1-CG1 4.3Å; V60-I64 WeakPolarHBondContact O-CB 3.29Å; V60-I64 WeakPolarHBondContact O-CG1 3.19Å; V60-I64 PolarHBondContact O-N 3.48Å; D61-I64 PolarHBondContact O-N 3.46Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 3.48Å; I64-M67 PolarHBondContact O-N 3.4Å; I64-Q68 WeakPolarHBondContact O-CB 3.47Å; I64-Q68 PolarHBondContact O-N 3.34Å |
| 65 | D | 93.3 | Very high | 89.5 | Confident | 109 Ų | 109 | 96.8 Ų | 96.8 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -46.9 | 176.4 | -169.7 | 43.6 | 0 | 0 | 0 | 111.1 | D61 E62 M67 Q68 E69 | D61-D65 PolarHBondContact O-N 2.85Å; E62-D65 PolarHBondContact O-N 2.83Å; D65-M67 VanDerWaalsContact C-N 3.31Å; D65-M67 PolarHBondContact O-N 3.01Å; D65-Q68 WeakPolarHBondContact O-CB 3.47Å; D65-Q68 PolarHBondContact O-N 2.93Å; D65-Q68 VanDerWaalsContact O-N 3.16Å; D65-E69 PolarHBondContact O-N 3.08Å |
| 66 | V | 92.4 | Very high | 90 | Very high | 65 Ų | 65 | 95.5 Ų | 95.5 | 39% | 0.394 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | E62 V63 E69 N70 | E62-V66 WeakPolarHBondContact O-CG2 3.37Å; E62-V66 PolarHBondContact O-N 3.43Å; V63-V66 PolarHBondContact O-N 3.26Å; V66-E69 PolarHBondContact O-N 3.31Å; V66-N70 WeakPolarHBondContact O-CB 3.36Å; V66-N70 PolarHBondContact O-N 3.5Å; V66-N70 PolarHBondContact O-ND2 2.69Å; V66-N70 PolarHBondContact O-OD1 3.07Å |
| 67 | M | 90 | Very high | 90.4 | Very high | 101 Ų | 101 | 99.6 Ų | 99.6 | 50% | 0.498 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.8 | -36.2 | 176.4 | -78.1 | -64.3 | -66.7 | 0 | 0 | 112.6 | V63 I64 D65 E69 N70 I71 | V63-M67 HydrophobicContact CG1-CG 4.42Å; V63-M67 WeakPolarHBondContact O-CB 3.48Å; V63-M67 VanDerWaalsContact O-CG 3.29Å; V63-M67 WeakPolarHBondContact O-CG 3.42Å; V63-M67 PolarHBondContact O-N 2.86Å; I64-M67 PolarHBondContact O-N 3.4Å; D65-M67 VanDerWaalsContact C-N 3.31Å; D65-M67 PolarHBondContact O-N 3.01Å; M67-E69 VanDerWaalsContact C-N 3.33Å; M67-N70 CarbonylContact O-C 3.6Å; M67-N70 PolarHBondContact O-N 3.49Å; M67-I71 WeakPolarHBondContact O-CB 3.46Å; M67-I71 WeakPolarHBondContact O-CD1 3.23Å; M67-I71 WeakPolarHBondContact O-CG1 3.41Å; M67-I71 PolarHBondContact O-N 2.87Å |
| 68 | Q | 93.4 | Very high | 90.8 | Very high | 125 Ų | 125 | 95.4 Ų | 95.4 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 173.6 | -174 | 172 | 2 | 0 | 0 | 110.4 | I64 D65 I71 T72 | I64-Q68 WeakPolarHBondContact O-CB 3.47Å; I64-Q68 PolarHBondContact O-N 3.34Å; D65-Q68 WeakPolarHBondContact O-CB 3.47Å; D65-Q68 PolarHBondContact O-N 2.93Å; D65-Q68 VanDerWaalsContact O-N 3.16Å; Q68-I71 PolarHBondContact O-N 2.79Å; Q68-T72 PolarHBondContact O-N 3.49Å; Q68-T72 VanDerWaalsContact O-N 3.08Å; Q68-T72 PolarHBondContact O-OG1 3.27Å |
| 69 | E | 93.4 | Very high | 91 | Very high | 98 Ų | 98 | 96.4 Ų | 96.4 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 172.5 | -159.8 | -160 | 175.3 | 0 | 0 | 112 | D65 V66 M67 I71 T72 K73 | D65-E69 PolarHBondContact O-N 3.08Å; V66-E69 PolarHBondContact O-N 3.31Å; M67-E69 VanDerWaalsContact C-N 3.33Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.13Å; E69-T72 PolarHBondContact O-N 3.11Å; E69-T72 PolarHBondContact O-OG1 3.33Å; E69-K73 HydrophobicContact CG-CD 4.45Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 VanDerWaalsContact O-CG 3.23Å; E69-K73 WeakPolarHBondContact O-CG 3.29Å; E69-K73 PolarHBondContact O-N 3.01Å; E69-K73 WeakPolarHBondContact OE1-CE 3.44Å; E69-K73 IonicContact OE1-NZ 3.01Å; E69-K73 PolarHBondContact OE1-NZ 3.33Å; E69-K73 IonicContact OE2-NZ 3.83Å; E69-K73 PolarHBondContact OE2-NZ 3.15Å |
| 70 | N | 93 | Very high | 91.3 | Very high | 68 Ų | 68 | 99.6 Ų | 99.6 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 175.5 | -70.6 | -25.8 | 0 | 0 | 0 | 111.9 | V66 M67 K73 V74 | V66-N70 WeakPolarHBondContact O-CB 3.36Å; V66-N70 PolarHBondContact O-N 3.5Å; V66-N70 PolarHBondContact O-ND2 2.69Å; V66-N70 PolarHBondContact O-OD1 3.07Å; M67-N70 CarbonylContact O-C 3.6Å; M67-N70 PolarHBondContact O-N 3.49Å; N70-K73 PolarHBondContact O-N 2.73Å; N70-V74 WeakPolarHBondContact O-CB 3.11Å; N70-V74 PolarHBondContact O-N 2.67Å |
| 71 | I | 93 | Very high | 91.6 | Very high | 90 Ų | 90 | 100.2 Ų | 100.2 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 177.2 | -70.3 | 161.5 | 0 | 0 | 0 | 110.4 | M67 Q68 E69 K73 V74 I75 | M67-I71 WeakPolarHBondContact O-CB 3.46Å; M67-I71 WeakPolarHBondContact O-CD1 3.23Å; M67-I71 WeakPolarHBondContact O-CG1 3.41Å; M67-I71 PolarHBondContact O-N 2.87Å; Q68-I71 PolarHBondContact O-N 2.79Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.13Å; I71-K73 VanDerWaalsContact C-N 3.32Å; I71-K73 PolarHBondContact O-N 2.96Å; I71-V74 WeakPolarHBondContact O-CG1 3.3Å; I71-V74 PolarHBondContact O-N 3.41Å; I71-I75 HydrophobicContact CG2-CD1 3.9Å; I71-I75 VanDerWaalsContact O-CG1 3.29Å; I71-I75 WeakPolarHBondContact O-CG1 3.2Å; I71-I75 PolarHBondContact O-N 3.39Å |
| 72 | T | 92.3 | Very high | 91.7 | Very high | 82 Ų | 82 | 100.2 Ų | 100.2 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174.9 | 55 | 0 | 0 | 0 | 0 | 111.1 | Q68 E69 V74 I75 E76 | Q68-T72 PolarHBondContact O-N 3.49Å; Q68-T72 VanDerWaalsContact O-N 3.08Å; Q68-T72 PolarHBondContact O-OG1 3.27Å; E69-T72 PolarHBondContact O-N 3.11Å; E69-T72 PolarHBondContact O-OG1 3.33Å; T72-V74 PolarHBondContact O-N 2.63Å; T72-I75 PolarHBondContact O-N 3Å; T72-E76 PolarHBondContact O-N 3.41Å; T72-E76 VanDerWaalsContact O-N 3.11Å |
| 73 | K | 92.5 | Very high | 91.7 | Very high | 97 Ų | 97 | 98.6 Ų | 98.6 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 173.3 | -72.3 | 169.5 | -176.5 | 163.8 | 0 | 112.9 | E69 N70 I71 R77 | E69-K73 HydrophobicContact CG-CD 4.45Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 VanDerWaalsContact O-CG 3.23Å; E69-K73 WeakPolarHBondContact O-CG 3.29Å; E69-K73 PolarHBondContact O-N 3.01Å; E69-K73 WeakPolarHBondContact OE1-CE 3.44Å; E69-K73 IonicContact OE1-NZ 3.01Å; E69-K73 PolarHBondContact OE1-NZ 3.33Å; E69-K73 IonicContact OE2-NZ 3.83Å; E69-K73 PolarHBondContact OE2-NZ 3.15Å; N70-K73 PolarHBondContact O-N 2.73Å; I71-K73 VanDerWaalsContact C-N 3.32Å; I71-K73 PolarHBondContact O-N 2.96Å; K73-R77 VanDerWaalsContact O-CB 3.26Å; K73-R77 WeakPolarHBondContact O-CB 3.26Å; K73-R77 PolarHBondContact O-N 3.32Å |
| 74 | V | 93.2 | Very high | 91.9 | Very high | 89 Ų | 89 | 99 Ų | 99 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.3 | -33.6 | -179.2 | 86.5 | 0 | 0 | 0 | 0 | 111.9 | N70 I71 T72 R77 G78 | N70-V74 WeakPolarHBondContact O-CB 3.11Å; N70-V74 PolarHBondContact O-N 2.67Å; I71-V74 WeakPolarHBondContact O-CG1 3.3Å; I71-V74 PolarHBondContact O-N 3.41Å; T72-V74 PolarHBondContact O-N 2.63Å; V74-R77 PolarHBondContact O-N 3.49Å; V74-G78 PolarHBondContact O-N 2.89Å |
| 75 | I | 90.8 | Very high | 92 | Very high | 111 Ų | 111 | 100.3 Ų | 100.3 | 57% | 0.569 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.1 | -49 | 174.1 | -67.9 | 165.5 | 0 | 0 | 0 | 110.2 | I71 T72 R77 G78 E79 | I71-I75 HydrophobicContact CG2-CD1 3.9Å; I71-I75 VanDerWaalsContact O-CG1 3.29Å; I71-I75 WeakPolarHBondContact O-CG1 3.2Å; I71-I75 PolarHBondContact O-N 3.39Å; T72-I75 PolarHBondContact O-N 3Å; I75-R77 VanDerWaalsContact C-N 3.25Å; I75-R77 PolarHBondContact O-N 3.26Å; I75-G78 WeakPolarHBondContact O-CA 3.36Å; I75-G78 PolarHBondContact O-N 3.34Å; I75-E79 PolarHBondContact O-N 3.2Å |
| 76 | E | 91.3 | Very high | 92 | Very high | 87 Ų | 87 | 99.9 Ų | 99.9 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 176 | -173.6 | -175 | -176.8 | 0 | 0 | 111.4 | T72 R80 | T72-E76 PolarHBondContact O-N 3.41Å; T72-E76 VanDerWaalsContact O-N 3.11Å; E76-R80 WeakPolarHBondContact O-CG 3.43Å; E76-R80 PolarHBondContact O-N 3.25Å; E76-R80 VanDerWaalsContact O-N 3.13Å; E76-R80 IonicContact OE1-CZ 2.69Å; E76-R80 IonicContact OE1-NE 3.49Å; E76-R80 IonicContact OE1-NH1 2.63Å; E76-R80 PolarHBondContact OE1-NH1 2.81Å; E76-R80 IonicContact OE1-NH2 3.17Å; E76-R80 PolarHBondContact OE1-NH2 3.09Å |
| 77 | R | 91.3 | Very high | 92 | Very high | 170 Ų | 170 | 102.8 Ų | 102.8 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -38.1 | 173 | -174.8 | 176.3 | -179 | 165.6 | 0.4 | 112.1 | K73 V74 I75 R80 L81 | K73-R77 VanDerWaalsContact O-CB 3.26Å; K73-R77 WeakPolarHBondContact O-CB 3.26Å; K73-R77 PolarHBondContact O-N 3.32Å; V74-R77 PolarHBondContact O-N 3.49Å; I75-R77 VanDerWaalsContact C-N 3.25Å; I75-R77 PolarHBondContact O-N 3.26Å; R77-R80 PolarHBondContact O-N 3.43Å; R77-L81 HydrophobicContact CG-CD1 4Å; R77-L81 HydrophobicContact CG-CG 4.31Å; R77-L81 VanDerWaalsContact O-CB 3.3Å; R77-L81 WeakPolarHBondContact O-CB 3.43Å; R77-L81 WeakPolarHBondContact O-CG 3.22Å; R77-L81 PolarHBondContact O-N 3.3Å |
| 78 | G | 90.5 | Very high | 92.2 | Very high | 26 Ų | 26 | 101 Ų | 101 | 27% | 0.268 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -50.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V74 I75 R80 L81 D82 | V74-G78 PolarHBondContact O-N 2.89Å; I75-G78 WeakPolarHBondContact O-CA 3.36Å; I75-G78 PolarHBondContact O-N 3.34Å; G78-R80 VanDerWaalsContact C-N 3.35Å; G78-R80 PolarHBondContact O-N 3.38Å; G78-L81 WeakPolarHBondContact O-CB 3.46Å; G78-L81 PolarHBondContact O-N 2.81Å; G78-D82 PolarHBondContact O-N 3.22Å |
| 79 | E | 91.1 | Very high | 92.2 | Very high | 126 Ų | 126 | 100.3 Ų | 100.3 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.7 | -45.1 | 176.8 | -176.8 | 176.9 | -158.5 | 0 | 0 | 111.9 | I75 L81 D82 E83 | I75-E79 PolarHBondContact O-N 3.2Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-L81 PolarHBondContact O-N 2.76Å; E79-D82 PolarHBondContact O-N 3.44Å; E79-E83 PolarHBondContact O-N 3.06Å |
| 80 | R | 89.8 | Confident | 92.1 | Very high | 155 Ų | 155 | 98.3 Ų | 98.3 | 59% | 0.585 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -34 | 175.2 | -72.1 | 178.8 | 177.1 | 157.7 | 5.9 | 113.1 | E76 R77 G78 L84 | E76-R80 WeakPolarHBondContact O-CG 3.43Å; E76-R80 PolarHBondContact O-N 3.25Å; E76-R80 VanDerWaalsContact O-N 3.13Å; E76-R80 IonicContact OE1-CZ 2.69Å; E76-R80 IonicContact OE1-NE 3.49Å; E76-R80 IonicContact OE1-NH1 2.63Å; E76-R80 PolarHBondContact OE1-NH1 2.81Å; E76-R80 IonicContact OE1-NH2 3.17Å; E76-R80 PolarHBondContact OE1-NH2 3.09Å; R77-R80 PolarHBondContact O-N 3.43Å; G78-R80 VanDerWaalsContact C-N 3.35Å; G78-R80 PolarHBondContact O-N 3.38Å; R80-L84 WeakPolarHBondContact O-CB 3.19Å; R80-L84 PolarHBondContact O-N 3.01Å |
| 81 | L | 92.5 | Very high | 92.1 | Very high | 87 Ų | 87 | 100.8 Ų | 100.8 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.7 | -40.5 | 176.5 | -80.7 | 171.5 | 0 | 0 | 0 | 111.1 | R77 G78 E79 L84 Q85 | R77-L81 HydrophobicContact CG-CD1 4Å; R77-L81 HydrophobicContact CG-CG 4.31Å; R77-L81 VanDerWaalsContact O-CB 3.3Å; R77-L81 WeakPolarHBondContact O-CB 3.43Å; R77-L81 WeakPolarHBondContact O-CG 3.22Å; R77-L81 PolarHBondContact O-N 3.3Å; G78-L81 WeakPolarHBondContact O-CB 3.46Å; G78-L81 PolarHBondContact O-N 2.81Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-L81 PolarHBondContact O-N 2.76Å; L81-L84 CarbonylContact O-C 3.57Å; L81-L84 PolarHBondContact O-N 2.88Å; L81-Q85 VanDerWaalsContact O-CB 3.22Å; L81-Q85 WeakPolarHBondContact O-CB 3.4Å; L81-Q85 PolarHBondContact O-N 2.92Å |
| 82 | D | 91.8 | Very high | 92.1 | Very high | 100 Ų | 100 | 99.6 Ų | 99.6 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 175.1 | -74.2 | -16.6 | 0 | 0 | 0 | 110.4 | G78 E79 L84 Q85 D86 | G78-D82 PolarHBondContact O-N 3.22Å; E79-D82 PolarHBondContact O-N 3.44Å; D82-L84 VanDerWaalsContact C-N 3.29Å; D82-L84 PolarHBondContact O-N 2.92Å; D82-Q85 WeakPolarHBondContact O-CB 3.17Å; D82-Q85 PolarHBondContact O-N 2.93Å; D82-Q85 VanDerWaalsContact O-N 3.15Å; D82-D86 PolarHBondContact O-N 3.01Å |
| 83 | E | 92.3 | Very high | 92.1 | Very high | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 173.8 | -73.9 | -169.4 | -173.5 | 0 | 0 | 112.8 | E79 Q85 K87 | E79-E83 PolarHBondContact O-N 3.06Å; E83-Q85 VanDerWaalsContact C-N 3.34Å; E83-K87 WeakPolarHBondContact O-CB 3.49Å; E83-K87 VanDerWaalsContact O-CG 3.31Å; E83-K87 WeakPolarHBondContact O-CG 3.23Å; E83-K87 PolarHBondContact O-N 3.3Å; E83-K87 IonicContact OE2-NZ 3.96Å |
| 84 | L | 91 | Very high | 92.1 | Very high | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -34.9 | 178.4 | -174.3 | 64.1 | 0 | 0 | 0 | 111 | R80 L81 D82 K87 S88 | R80-L84 WeakPolarHBondContact O-CB 3.19Å; R80-L84 PolarHBondContact O-N 3.01Å; L81-L84 CarbonylContact O-C 3.57Å; L81-L84 PolarHBondContact O-N 2.88Å; D82-L84 VanDerWaalsContact C-N 3.29Å; D82-L84 PolarHBondContact O-N 2.92Å; L84-K87 PolarHBondContact O-N 2.81Å; L84-S88 WeakPolarHBondContact O-CB 3.17Å; L84-S88 PolarHBondContact O-N 3.29Å; L84-S88 PolarHBondContact O-OG 2.86Å |
| 85 | Q | 93 | Very high | 92 | Very high | 121 Ų | 121 | 98.9 Ų | 98.9 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -48.2 | 175.3 | -177.7 | 175.5 | -53.1 | 0 | 0 | 109.9 | L81 D82 E83 K87 S88 E89 | L81-Q85 VanDerWaalsContact O-CB 3.22Å; L81-Q85 WeakPolarHBondContact O-CB 3.4Å; L81-Q85 PolarHBondContact O-N 2.92Å; D82-Q85 WeakPolarHBondContact O-CB 3.17Å; D82-Q85 PolarHBondContact O-N 2.93Å; D82-Q85 VanDerWaalsContact O-N 3.15Å; E83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-K87 VanDerWaalsContact C-N 3.32Å; Q85-K87 PolarHBondContact O-N 2.83Å; Q85-S88 CarbonylContact O-C 3.59Å; Q85-S88 PolarHBondContact O-N 3.34Å; Q85-E89 WeakPolarHBondContact O-CB 3.11Å; Q85-E89 PolarHBondContact O-N 2.78Å |
| 86 | D | 93.5 | Very high | 91.9 | Very high | 100 Ų | 100 | 96.8 Ų | 96.8 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.5 | -72.3 | -10.9 | 0 | 0 | 0 | 111.7 | D82 S88 S90 | D82-D86 PolarHBondContact O-N 3.01Å; D86-S88 VanDerWaalsContact C-N 3.35Å; D86-S90 WeakPolarHBondContact O-CB 3.5Å; D86-S90 PolarHBondContact O-N 3.27Å; D86-S90 PolarHBondContact O-OG 3.44Å |
| 87 | K | 92.5 | Very high | 91.8 | Very high | 126 Ų | 126 | 94.7 Ų | 94.7 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 174.3 | -76 | 172.2 | -174.8 | 160.8 | 0 | 112.2 | E83 L84 Q85 S90 L91 | E83-K87 WeakPolarHBondContact O-CB 3.49Å; E83-K87 VanDerWaalsContact O-CG 3.31Å; E83-K87 WeakPolarHBondContact O-CG 3.23Å; E83-K87 PolarHBondContact O-N 3.3Å; E83-K87 IonicContact OE2-NZ 3.96Å; L84-K87 PolarHBondContact O-N 2.81Å; Q85-K87 VanDerWaalsContact C-N 3.32Å; Q85-K87 PolarHBondContact O-N 2.83Å; K87-S90 WeakPolarHBondContact CA-OG 3.2Å; K87-S90 PolarHBondContact O-OG 2.9Å; K87-L91 WeakPolarHBondContact O-CB 3.43Å; K87-L91 PolarHBondContact O-N 2.96Å |
| 88 | S | 93.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 93.6 Ų | 93.6 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.1 | -38.3 | 179.9 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | L84 Q85 D86 L91 S92 | L84-S88 WeakPolarHBondContact O-CB 3.17Å; L84-S88 PolarHBondContact O-N 3.29Å; L84-S88 PolarHBondContact O-OG 2.86Å; Q85-S88 CarbonylContact O-C 3.59Å; Q85-S88 PolarHBondContact O-N 3.34Å; D86-S88 VanDerWaalsContact C-N 3.35Å; S88-L91 PolarHBondContact O-N 3.25Å; S88-S92 VanDerWaalsContact O-CB 3.23Å; S88-S92 WeakPolarHBondContact O-CB 3.33Å; S88-S92 PolarHBondContact O-N 2.78Å |
| 89 | E | 93.9 | Very high | 91.6 | Very high | 111 Ų | 111 | 94.6 Ų | 94.6 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -52.3 | 173.3 | -177.2 | 169.6 | -156.2 | 0 | 0 | 109.9 | Q85 L91 S92 D93 | Q85-E89 WeakPolarHBondContact O-CB 3.11Å; Q85-E89 PolarHBondContact O-N 2.78Å; E89-L91 VanDerWaalsContact C-N 3.27Å; E89-L91 PolarHBondContact O-N 3.45Å; E89-S92 WeakPolarHBondContact O-CB 3.36Å; E89-S92 PolarHBondContact O-N 3.43Å; E89-S92 VanDerWaalsContact O-N 3.09Å; E89-D93 WeakPolarHBondContact O-CB 3.31Å; E89-D93 PolarHBondContact O-N 2.94Å |
| 90 | S | 92.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 92.7 Ų | 92.7 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 175.6 | 60 | 0 | 0 | 0 | 0 | 112.6 | D86 K87 N94 | D86-S90 WeakPolarHBondContact O-CB 3.5Å; D86-S90 PolarHBondContact O-N 3.27Å; D86-S90 PolarHBondContact O-OG 3.44Å; K87-S90 WeakPolarHBondContact CA-OG 3.2Å; K87-S90 PolarHBondContact O-OG 2.9Å; S90-N94 WeakPolarHBondContact O-CB 3.43Å; S90-N94 PolarHBondContact O-N 3.45Å; S90-N94 PolarHBondContact O-ND2 2.87Å |
| 91 | L | 92.4 | Very high | 91.1 | Very high | 120 Ų | 120 | 93.4 Ų | 93.4 | 63% | 0.628 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.5 | -42.6 | 173.6 | -177.9 | 62.1 | 0 | 0 | 0 | 111.9 | K87 S88 E89 N94 A95 | K87-L91 WeakPolarHBondContact O-CB 3.43Å; K87-L91 PolarHBondContact O-N 2.96Å; S88-L91 PolarHBondContact O-N 3.25Å; E89-L91 VanDerWaalsContact C-N 3.27Å; E89-L91 PolarHBondContact O-N 3.45Å; L91-N94 PolarHBondContact O-N 3.48Å; L91-A95 WeakPolarHBondContact O-CB 3.42Å; L91-A95 PolarHBondContact O-N 3.48Å |
| 92 | S | 92.9 | Very high | 90.9 | Very high | 65 Ų | 65 | 91.4 Ų | 91.4 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 176.7 | 178 | 0 | 0 | 0 | 0 | 111.3 | S88 E89 A95 T96 | S88-S92 VanDerWaalsContact O-CB 3.23Å; S88-S92 WeakPolarHBondContact O-CB 3.33Å; S88-S92 PolarHBondContact O-N 2.78Å; E89-S92 WeakPolarHBondContact O-CB 3.36Å; E89-S92 PolarHBondContact O-N 3.43Å; E89-S92 VanDerWaalsContact O-N 3.09Å; S92-A95 PolarHBondContact O-N 2.79Å; S92-T96 WeakPolarHBondContact O-CB 3.47Å; S92-T96 WeakPolarHBondContact O-CG2 3.12Å; S92-T96 PolarHBondContact O-N 2.82Å; S92-T96 PolarHBondContact O-OG1 2.76Å |
| 93 | D | 92.7 | Very high | 90.6 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 176.1 | -77.9 | -5.3 | 0 | 0 | 0 | 111.4 | E89 A95 T96 A97 | E89-D93 WeakPolarHBondContact O-CB 3.31Å; E89-D93 PolarHBondContact O-N 2.94Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.19Å; D93-T96 WeakPolarHBondContact CA-OG1 3.3Å; D93-T96 PolarHBondContact O-N 3.28Å; D93-T96 PolarHBondContact O-OG1 3.46Å; D93-A97 WeakPolarHBondContact O-CB 3.14Å; D93-A97 PolarHBondContact O-N 3.29Å |
| 94 | N | 91 | Very high | 90.3 | Very high | 108 Ų | 108 | 94.2 Ų | 94.2 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -37.5 | 174.5 | -76.8 | -42.2 | 0 | 0 | 0 | 112.1 | S90 L91 F98 | S90-N94 WeakPolarHBondContact O-CB 3.43Å; S90-N94 PolarHBondContact O-N 3.45Å; S90-N94 PolarHBondContact O-ND2 2.87Å; L91-N94 PolarHBondContact O-N 3.48Å; N94-F98 WeakPolarHBondContact O-CA 3.4Å; N94-F98 WeakPolarHBondContact O-CB 3.36Å; N94-F98 PolarHBondContact O-N 3.36Å |
| 95 | A | 91.1 | Very high | 90.1 | Very high | 55 Ų | 55 | 93.1 Ų | 93.1 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L91 S92 D93 F98 S99 | L91-A95 WeakPolarHBondContact O-CB 3.42Å; L91-A95 PolarHBondContact O-N 3.48Å; S92-A95 PolarHBondContact O-N 2.79Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.19Å; A95-F98 PolarHBondContact O-N 3.41Å; A95-S99 WeakPolarHBondContact O-CB 3.11Å; A95-S99 PolarHBondContact O-N 2.9Å |
| 96 | T | 90 | Very high | 89.8 | Confident | 68 Ų | 68 | 97.4 Ų | 97.4 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | S92 D93 S99 N100 | S92-T96 WeakPolarHBondContact O-CB 3.47Å; S92-T96 WeakPolarHBondContact O-CG2 3.12Å; S92-T96 PolarHBondContact O-N 2.82Å; S92-T96 PolarHBondContact O-OG1 2.76Å; D93-T96 WeakPolarHBondContact CA-OG1 3.3Å; D93-T96 PolarHBondContact O-N 3.28Å; D93-T96 PolarHBondContact O-OG1 3.46Å; T96-S99 PolarHBondContact O-N 3.49Å; T96-S99 PolarHBondContact O-OG 3.25Å; T96-N100 WeakPolarHBondContact O-CB 3.19Å; T96-N100 PolarHBondContact O-N 3.3Å |
| 97 | A | 89.1 | Confident | 89.5 | Confident | 42 Ų | 42 | 101.3 Ų | 101.3 | 35% | 0.347 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D93 S99 N100 R101 | D93-A97 WeakPolarHBondContact O-CB 3.14Å; D93-A97 PolarHBondContact O-N 3.29Å; A97-S99 PolarHBondContact O-N 2.74Å; A97-N100 PolarHBondContact O-N 3.04Å; A97-R101 VanDerWaalsContact O-CB 3.3Å; A97-R101 WeakPolarHBondContact O-CB 3.5Å; A97-R101 WeakPolarHBondContact O-CG 3.35Å; A97-R101 PolarHBondContact O-N 3.47Å |
| 98 | F | 89.7 | Confident | 89.3 | Confident | 148 Ų | 148 | 99.8 Ų | 99.8 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.1 | -47.8 | 175.7 | -178.5 | -100.6 | 0 | 0 | 0 | 110.7 | N94 A95 N100 R101 S102 | N94-F98 WeakPolarHBondContact O-CA 3.4Å; N94-F98 WeakPolarHBondContact O-CB 3.36Å; N94-F98 PolarHBondContact O-N 3.36Å; A95-F98 PolarHBondContact O-N 3.41Å; F98-N100 VanDerWaalsContact C-N 3.32Å; F98-N100 PolarHBondContact O-N 2.75Å; F98-R101 CarbonylContact O-C 3.56Å; F98-R101 PolarHBondContact O-N 3.09Å; F98-S102 WeakPolarHBondContact O-CB 3.15Å; F98-S102 PolarHBondContact O-N 2.74Å; F98-S102 PolarHBondContact O-OG 3.03Å |
| 99 | S | 87.1 | Confident | 89.1 | Confident | 47 Ų | 47 | 102.2 Ų | 102.2 | 33% | 0.329 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 178.2 | 83.4 | 0 | 0 | 0 | 0 | 112.6 | A95 T96 A97 S102 K103 | A95-S99 WeakPolarHBondContact O-CB 3.11Å; A95-S99 PolarHBondContact O-N 2.9Å; T96-S99 PolarHBondContact O-N 3.49Å; T96-S99 PolarHBondContact O-OG 3.25Å; A97-S99 PolarHBondContact O-N 2.74Å; S99-S102 PolarHBondContact O-N 3.1Å; S99-K103 WeakPolarHBondContact O-CG 2.97Å; S99-K103 PolarHBondContact O-N 3.41Å; S99-K103 VanDerWaalsContact O-N 3.09Å |
| 100 | N | 88 | Confident | 88.9 | Confident | 85 Ų | 85 | 105.4 Ų | 105.4 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -43.8 | 178.3 | -75 | -15.9 | 0 | 0 | 0 | 111.1 | T96 A97 F98 K103 Q104 | T96-N100 WeakPolarHBondContact O-CB 3.19Å; T96-N100 PolarHBondContact O-N 3.3Å; A97-N100 PolarHBondContact O-N 3.04Å; F98-N100 VanDerWaalsContact C-N 3.32Å; F98-N100 PolarHBondContact O-N 2.75Å; N100-K103 PolarHBondContact O-N 3.2Å; N100-Q104 WeakPolarHBondContact O-CG 3.44Å; N100-Q104 PolarHBondContact O-N 3.48Å |
| 101 | R | 83.7 | Confident | 88.9 | Confident | 171 Ų | 171 | 109.4 Ų | 109.4 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 175.2 | -67.1 | -67.2 | -174.1 | -150.3 | 2.1 | 111.3 | A97 F98 K103 Q104 L105 | A97-R101 VanDerWaalsContact O-CB 3.3Å; A97-R101 WeakPolarHBondContact O-CB 3.5Å; A97-R101 WeakPolarHBondContact O-CG 3.35Å; A97-R101 PolarHBondContact O-N 3.47Å; F98-R101 CarbonylContact O-C 3.56Å; F98-R101 PolarHBondContact O-N 3.09Å; R101-K103 PolarHBondContact O-N 3.14Å; R101-Q104 PolarHBondContact O-N 3.45Å; R101-L105 WeakPolarHBondContact O-CB 3.39Å; R101-L105 PolarHBondContact O-N 3.11Å |
| 102 | S | 86.7 | Confident | 88.9 | Confident | 44 Ų | 44 | 110.1 Ų | 110.1 | 31% | 0.308 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 112 | F98 S99 L105 R106 | F98-S102 WeakPolarHBondContact O-CB 3.15Å; F98-S102 PolarHBondContact O-N 2.74Å; F98-S102 PolarHBondContact O-OG 3.03Å; S99-S102 PolarHBondContact O-N 3.1Å; S102-L105 PolarHBondContact O-N 3.21Å; S102-R106 PolarHBondContact O-N 2.85Å |
| 103 | K | 86.6 | Confident | 88.9 | Confident | 145 Ų | 145 | 108.7 Ų | 108.7 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -47 | 174.2 | -72.5 | 170.4 | -174.9 | 167.9 | 0 | 111.5 | S99 N100 R101 R106 R107 | S99-K103 WeakPolarHBondContact O-CG 2.97Å; S99-K103 PolarHBondContact O-N 3.41Å; S99-K103 VanDerWaalsContact O-N 3.09Å; N100-K103 PolarHBondContact O-N 3.2Å; R101-K103 PolarHBondContact O-N 3.14Å; K103-R106 PolarHBondContact O-N 3.48Å; K103-R107 PolarHBondContact O-N 2.97Å |
| 104 | Q | 86.5 | Confident | 88.9 | Confident | 114 Ų | 114 | 107.6 Ų | 107.6 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 176.9 | -70.9 | 176.5 | -15 | 0 | 0 | 111.7 | N100 R101 R106 R107 Q108 | N100-Q104 WeakPolarHBondContact O-CG 3.44Å; N100-Q104 PolarHBondContact O-N 3.48Å; R101-Q104 PolarHBondContact O-N 3.45Å; Q104-R106 PolarHBondContact O-N 3.04Å; Q104-R107 PolarHBondContact O-N 2.98Å; Q104-Q108 WeakPolarHBondContact O-CB 3.49Å; Q104-Q108 PolarHBondContact O-N 2.92Å |
| 105 | L | 85.8 | Confident | 89.1 | Confident | 78 Ų | 78 | 108.9 Ų | 108.9 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 178.7 | -175.6 | 64.6 | 0 | 0 | 0 | 111.2 | R101 S102 R107 Q108 M109 | R101-L105 WeakPolarHBondContact O-CB 3.39Å; R101-L105 PolarHBondContact O-N 3.11Å; S102-L105 PolarHBondContact O-N 3.21Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 3.2Å; L105-Q108 PolarHBondContact O-N 3.12Å; L105-M109 HydrophobicContact CD1-CE 4.12Å; L105-M109 HydrophobicContact CD1-CG 4.46Å; L105-M109 HydrophobicContact CD2-CE 4.23Å; L105-M109 HydrophobicContact CG-CE 4.07Å; L105-M109 HydrophobicContact CG-CG 4.5Å; L105-M109 HydrophobicContact CG-SD 4.39Å; L105-M109 WeakPolarHBondContact O-CB 3.34Å; L105-M109 WeakPolarHBondContact O-CG 3.4Å; L105-M109 PolarHBondContact O-N 3.27Å |
| 106 | R | 86.5 | Confident | 89.3 | Confident | 211 Ų | 211 | 111.5 Ų | 111.5 | 80% | 0.796 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.4 | -46.6 | 174.8 | -177.2 | 177.4 | 177.7 | 177.6 | -0.4 | 111.4 | S102 K103 Q104 M109 W110 | S102-R106 PolarHBondContact O-N 2.85Å; K103-R106 PolarHBondContact O-N 3.48Å; Q104-R106 PolarHBondContact O-N 3.04Å; R106-M109 PolarHBondContact O-N 3.37Å; R106-W110 PolarHBondContact O-N 2.82Å; R106-W110 VanDerWaalsContact O-N 3.14Å |
| 107 | R | 88.3 | Confident | 89.6 | Confident | 181 Ų | 181 | 115.8 Ų | 115.8 | 68% | 0.683 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -47 | 178.1 | -168.4 | 142.1 | 87.8 | 179 | 6.5 | 110.6 | K103 Q104 L105 M109 W110 W111 | K103-R107 PolarHBondContact O-N 2.97Å; Q104-R107 PolarHBondContact O-N 2.98Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 3.2Å; R107-M109 VanDerWaalsContact C-N 3.32Å; R107-M109 PolarHBondContact O-N 2.89Å; R107-W110 WeakPolarHBondContact O-CB 3.45Å; R107-W110 PolarHBondContact O-N 2.9Å; R107-W110 VanDerWaalsContact O-N 3.14Å; R107-W111 PolarHBondContact O-N 3.05Å |
| 108 | Q | 87.2 | Confident | 89.9 | Confident | 94 Ų | 94 | 116.5 Ų | 116.5 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 179.2 | -166.2 | -177.8 | 14.9 | 0 | 0 | 112.3 | Q104 L105 W111 R112 | Q104-Q108 WeakPolarHBondContact O-CB 3.49Å; Q104-Q108 PolarHBondContact O-N 2.92Å; L105-Q108 PolarHBondContact O-N 3.12Å; Q108-W111 PolarHBondContact O-N 3.32Å; Q108-R112 WeakPolarHBondContact O-CB 3.26Å; Q108-R112 VanDerWaalsContact O-CG 3.26Å; Q108-R112 WeakPolarHBondContact O-CG 3.43Å; Q108-R112 PolarHBondContact O-N 3.33Å |
| 109 | M | 89.7 | Confident | 90.3 | Very high | 113 Ų | 113 | 114.7 Ų | 114.7 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 175 | -77.5 | -175.5 | 170.4 | 0 | 0 | 112 | L105 R106 R107 R112 G113 | L105-M109 HydrophobicContact CD1-CE 4.12Å; L105-M109 HydrophobicContact CD1-CG 4.46Å; L105-M109 HydrophobicContact CD2-CE 4.23Å; L105-M109 HydrophobicContact CG-CE 4.07Å; L105-M109 HydrophobicContact CG-CG 4.5Å; L105-M109 HydrophobicContact CG-SD 4.39Å; L105-M109 WeakPolarHBondContact O-CB 3.34Å; L105-M109 WeakPolarHBondContact O-CG 3.4Å; L105-M109 PolarHBondContact O-N 3.27Å; R106-M109 PolarHBondContact O-N 3.37Å; R107-M109 VanDerWaalsContact C-N 3.32Å; R107-M109 PolarHBondContact O-N 2.89Å; M109-R112 PolarHBondContact O-N 2.91Å; M109-G113 PolarHBondContact O-N 3.14Å |
| 110 | W | 90.7 | Very high | 90.7 | Very high | 179 Ų | 179 | 118.3 Ų | 118.3 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -45 | 176.5 | -170.7 | 70.2 | 0 | 0 | 0 | 112.1 | R106 R107 R112 G113 C114 | R106-W110 PolarHBondContact O-N 2.82Å; R106-W110 VanDerWaalsContact O-N 3.14Å; R107-W110 WeakPolarHBondContact O-CB 3.45Å; R107-W110 PolarHBondContact O-N 2.9Å; R107-W110 VanDerWaalsContact O-N 3.14Å; W110-R112 PolarHBondContact O-N 2.92Å; W110-G113 PolarHBondContact O-N 3.38Å; W110-C114 WeakPolarHBondContact O-CB 3.36Å; W110-C114 PolarHBondContact O-N 3.49Å |
| 111 | W | 91.9 | Very high | 91.2 | Very high | 139 Ų | 139 | 117.2 Ų | 117.2 | 53% | 0.527 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 174.4 | -74.1 | 105.1 | 0 | 0 | 0 | 112.5 | R107 Q108 C114 K115 | R107-W111 PolarHBondContact O-N 3.05Å; Q108-W111 PolarHBondContact O-N 3.32Å; W111-C114 PolarHBondContact O-N 2.9Å; W111-K115 WeakPolarHBondContact O-CB 3.27Å; W111-K115 VanDerWaalsContact O-CG 3.27Å; W111-K115 WeakPolarHBondContact O-CG 3.46Å; W111-K115 PolarHBondContact O-N 3.4Å |
| 112 | R | 91.7 | Very high | 91.8 | Very high | 135 Ų | 135 | 114.3 Ų | 114.3 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.7 | -74.5 | 175.3 | -174.1 | -168.2 | 5.5 | 111.2 | Q108 M109 W110 K115 I116 | Q108-R112 WeakPolarHBondContact O-CB 3.26Å; Q108-R112 VanDerWaalsContact O-CG 3.26Å; Q108-R112 WeakPolarHBondContact O-CG 3.43Å; Q108-R112 PolarHBondContact O-N 3.33Å; M109-R112 PolarHBondContact O-N 2.91Å; W110-R112 PolarHBondContact O-N 2.92Å; R112-K115 PolarHBondContact O-N 3.35Å; R112-I116 WeakPolarHBondContact O-CG1 3.43Å; R112-I116 PolarHBondContact O-N 2.99Å |
| 113 | G | 92.4 | Very high | 92.3 | Very high | 35 Ų | 35 | 115.7 Ų | 115.7 | 36% | 0.361 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.6 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M109 W110 K115 I116 K117 | M109-G113 PolarHBondContact O-N 3.14Å; W110-G113 PolarHBondContact O-N 3.38Å; G113-K115 PolarHBondContact O-N 2.9Å; G113-I116 PolarHBondContact O-N 3.01Å; G113-K117 WeakPolarHBondContact O-CG 3.36Å; G113-K117 PolarHBondContact O-N 3.36Å |
| 114 | C | 93.9 | Very high | 92.9 | Very high | 67 Ų | 67 | 111 Ų | 111 | 45% | 0.453 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.9 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | W110 W111 K117 A118 | W110-C114 WeakPolarHBondContact O-CB 3.36Å; W110-C114 PolarHBondContact O-N 3.49Å; W111-C114 PolarHBondContact O-N 2.9Å; C114-K117 PolarHBondContact O-N 3.06Å; C114-A118 WeakPolarHBondContact O-CB 3.32Å; C114-A118 PolarHBondContact O-N 3.48Å |
| 115 | K | 95.4 | Very high | 93.4 | Very high | 135 Ų | 135 | 107.8 Ų | 107.8 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.7 | -46.8 | 175.9 | -75.7 | 175.5 | 178.3 | -173.3 | 0 | 111.9 | W111 R112 G113 K117 A118 I119 | W111-K115 WeakPolarHBondContact O-CB 3.27Å; W111-K115 VanDerWaalsContact O-CG 3.27Å; W111-K115 WeakPolarHBondContact O-CG 3.46Å; W111-K115 PolarHBondContact O-N 3.4Å; R112-K115 PolarHBondContact O-N 3.35Å; G113-K115 PolarHBondContact O-N 2.9Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.3Å; K115-A118 PolarHBondContact O-N 2.99Å; K115-I119 WeakPolarHBondContact O-CG1 3.45Å; K115-I119 PolarHBondContact O-N 3.33Å |
| 116 | I | 95 | Very high | 93.9 | Very high | 110 Ų | 110 | 108.4 Ų | 108.4 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 177.4 | -69.2 | 170.7 | 0 | 0 | 0 | 110.6 | R112 G113 A118 I119 M120 | R112-I116 WeakPolarHBondContact O-CG1 3.43Å; R112-I116 PolarHBondContact O-N 2.99Å; G113-I116 PolarHBondContact O-N 3.01Å; I116-A118 PolarHBondContact O-N 3.42Å; I116-I119 PolarHBondContact O-N 3.39Å; I116-M120 WeakPolarHBondContact O-CG 3.41Å; I116-M120 PolarHBondContact O-N 3.47Å |
| 117 | K | 95.4 | Very high | 94.4 | Very high | 158 Ų | 158 | 103.3 Ų | 103.3 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 176.5 | -70.7 | -68.8 | -171 | 175.6 | 0 | 112.5 | G113 C114 K115 M120 A121 | G113-K117 WeakPolarHBondContact O-CG 3.36Å; G113-K117 PolarHBondContact O-N 3.36Å; C114-K117 PolarHBondContact O-N 3.06Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.3Å; K117-M120 PolarHBondContact O-N 3.26Å; K117-A121 PolarHBondContact O-N 3.21Å |
| 118 | A | 96.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 99.7 Ų | 99.7 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C114 K115 I116 A121 L122 | C114-A118 WeakPolarHBondContact O-CB 3.32Å; C114-A118 PolarHBondContact O-N 3.48Å; K115-A118 PolarHBondContact O-N 2.99Å; I116-A118 PolarHBondContact O-N 3.42Å; A118-A121 PolarHBondContact O-N 3Å; A118-L122 PolarHBondContact O-N 3.26Å |
| 119 | I | 96.6 | Very high | 95.3 | Very high | 109 Ų | 109 | 100.1 Ų | 100.1 | 56% | 0.559 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 175.9 | -66 | 166.5 | 0 | 0 | 0 | 110.5 | K115 I116 A121 L122 V123 | K115-I119 WeakPolarHBondContact O-CG1 3.45Å; K115-I119 PolarHBondContact O-N 3.33Å; I116-I119 PolarHBondContact O-N 3.39Å; I119-A121 VanDerWaalsContact C-N 3.32Å; I119-A121 PolarHBondContact O-N 3.01Å; I119-L122 PolarHBondContact O-N 2.94Å; I119-V123 WeakPolarHBondContact O-CG2 3.35Å; I119-V123 PolarHBondContact O-N 2.98Å |
| 120 | M | 96.7 | Very high | 95.6 | Very high | 124 Ų | 124 | 98.2 Ų | 98.2 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59 | -41.6 | 176.2 | -75 | -62.4 | -61.4 | 0 | 0 | 112.5 | I116 K117 V123 A124 | I116-M120 WeakPolarHBondContact O-CG 3.41Å; I116-M120 PolarHBondContact O-N 3.47Å; K117-M120 PolarHBondContact O-N 3.26Å; M120-V123 PolarHBondContact O-N 3.46Å; M120-A124 WeakPolarHBondContact O-CB 3.35Å; M120-A124 PolarHBondContact O-N 3.38Å |
| 121 | A | 97.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 94 Ų | 94 | 51% | 0.512 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K117 A118 I119 A124 A125 | K117-A121 PolarHBondContact O-N 3.21Å; A118-A121 PolarHBondContact O-N 3Å; I119-A121 VanDerWaalsContact C-N 3.32Å; I119-A121 PolarHBondContact O-N 3.01Å; A121-A124 PolarHBondContact O-N 3.46Å; A121-A125 WeakPolarHBondContact O-CB 3.47Å; A121-A125 PolarHBondContact O-N 3.02Å |
| 122 | L | 97.5 | Very high | 96 | Very high | 110 Ų | 110 | 92 Ų | 92 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -46.1 | 176.3 | -177.5 | 67.1 | 0 | 0 | 0 | 111.6 | A118 I119 A124 A125 I126 | A118-L122 PolarHBondContact O-N 3.26Å; I119-L122 PolarHBondContact O-N 2.94Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.04Å; L122-A125 PolarHBondContact O-N 2.94Å; L122-I126 HydrophobicContact CD1-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 4.14Å; L122-I126 WeakPolarHBondContact O-CG1 3.46Å; L122-I126 PolarHBondContact O-N 2.96Å |
| 123 | V | 97.7 | Very high | 96.2 | Very high | 72 Ų | 72 | 90.7 Ų | 90.7 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 177.1 | 174 | 0 | 0 | 0 | 0 | 110.9 | I119 M120 A125 I126 L127 | I119-V123 WeakPolarHBondContact O-CG2 3.35Å; I119-V123 PolarHBondContact O-N 2.98Å; M120-V123 PolarHBondContact O-N 3.46Å; V123-A125 PolarHBondContact O-N 3.39Å; V123-I126 PolarHBondContact O-N 3.38Å; V123-L127 HydrophobicContact CG1-CD1 4.19Å; V123-L127 WeakPolarHBondContact O-CG 3.46Å; V123-L127 PolarHBondContact O-N 3.39Å |
| 124 | A | 97.6 | Very high | 96.3 | Very high | 48 Ų | 48 | 93.6 Ų | 93.6 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M120 A121 L122 L127 L128 | M120-A124 WeakPolarHBondContact O-CB 3.35Å; M120-A124 PolarHBondContact O-N 3.38Å; A121-A124 PolarHBondContact O-N 3.46Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.04Å; A124-L127 PolarHBondContact O-N 3.48Å; A124-L128 WeakPolarHBondContact O-CG 3.23Å; A124-L128 PolarHBondContact O-N 3.34Å |
| 125 | A | 97.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 94.9 Ų | 94.9 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A121 L122 V123 L128 L129 | A121-A125 WeakPolarHBondContact O-CB 3.47Å; A121-A125 PolarHBondContact O-N 3.02Å; L122-A125 PolarHBondContact O-N 2.94Å; V123-A125 PolarHBondContact O-N 3.39Å; A125-L128 PolarHBondContact O-N 3.47Å; A125-L129 WeakPolarHBondContact O-CG 3.38Å; A125-L129 PolarHBondContact O-N 3.03Å |
| 126 | I | 97.3 | Very high | 96.4 | Very high | 91 Ų | 91 | 92.7 Ų | 92.7 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 176.3 | -66.5 | 165.6 | 0 | 0 | 0 | 110.6 | L122 V123 L128 L129 V130 | L122-I126 HydrophobicContact CD1-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 4.14Å; L122-I126 WeakPolarHBondContact O-CG1 3.46Å; L122-I126 PolarHBondContact O-N 2.96Å; V123-I126 PolarHBondContact O-N 3.38Å; I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 3.33Å; I126-L129 PolarHBondContact O-N 2.97Å; I126-V130 WeakPolarHBondContact O-CG2 3.4Å; I126-V130 PolarHBondContact O-N 2.88Å |
| 127 | L | 97.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 92.9 Ų | 92.9 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.9 | -71.1 | 173 | 0 | 0 | 0 | 111.7 | V123 A124 V130 I131 | V123-L127 HydrophobicContact CG1-CD1 4.19Å; V123-L127 WeakPolarHBondContact O-CG 3.46Å; V123-L127 PolarHBondContact O-N 3.39Å; A124-L127 PolarHBondContact O-N 3.48Å; L127-V130 PolarHBondContact O-N 3.44Å; L127-I131 WeakPolarHBondContact O-CD1 3.39Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.2Å; L127-I131 PolarHBondContact O-N 2.92Å |
| 128 | L | 96.9 | Very high | 96.1 | Very high | 105 Ų | 105 | 92.7 Ų | 92.7 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.4 | -73.4 | 174.4 | 0 | 0 | 0 | 112 | A124 A125 I126 V130 I131 I132 | A124-L128 WeakPolarHBondContact O-CG 3.23Å; A124-L128 PolarHBondContact O-N 3.34Å; A125-L128 PolarHBondContact O-N 3.47Å; I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 3.33Å; L128-V130 PolarHBondContact O-N 2.97Å; L128-I131 PolarHBondContact O-N 3.49Å; L128-I132 WeakPolarHBondContact O-CB 3.33Å; L128-I132 WeakPolarHBondContact O-CD1 3.32Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.34Å |
| 129 | L | 96.3 | Very high | 96 | Very high | 104 Ų | 104 | 99.7 Ų | 99.7 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 176.2 | -76.7 | 171.3 | 0 | 0 | 0 | 112 | A125 I126 I132 I133 | A125-L129 WeakPolarHBondContact O-CG 3.38Å; A125-L129 PolarHBondContact O-N 3.03Å; I126-L129 PolarHBondContact O-N 2.97Å; L129-I132 PolarHBondContact O-N 3.23Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 WeakPolarHBondContact O-CD1 3.45Å; L129-I133 VanDerWaalsContact O-CG1 3.23Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 3.31Å |
| 130 | V | 96.5 | Very high | 95.7 | Very high | 73 Ų | 73 | 105.5 Ų | 105.5 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I126 L127 L128 I132 I133 L134 | I126-V130 WeakPolarHBondContact O-CG2 3.4Å; I126-V130 PolarHBondContact O-N 2.88Å; L127-V130 PolarHBondContact O-N 3.44Å; L128-V130 PolarHBondContact O-N 2.97Å; V130-I132 PolarHBondContact O-N 3.35Å; V130-I133 PolarHBondContact O-N 3.4Å; V130-L134 HydrophobicContact CG1-CD1 4.14Å; V130-L134 HydrophobicContact CG1-CG 4.49Å; V130-L134 WeakPolarHBondContact O-CG 3.25Å; V130-L134 PolarHBondContact O-N 2.92Å |
| 131 | I | 95.9 | Very high | 94.7 | Very high | 91 Ų | 91 | 106.9 Ų | 106.9 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.7 | -45.3 | 177.1 | -68.3 | 164.4 | 0 | 0 | 0 | 110.8 | L127 L128 L134 I135 | L127-I131 WeakPolarHBondContact O-CD1 3.39Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.2Å; L127-I131 PolarHBondContact O-N 2.92Å; L128-I131 PolarHBondContact O-N 3.49Å; I131-L134 PolarHBondContact O-N 3.48Å; I131-I135 HydrophobicContact CG2-CD1 3.76Å; I131-I135 HydrophobicContact CG2-CG1 4.47Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.29Å; I131-I135 PolarHBondContact O-N 3.47Å |
| 132 | I | 95.6 | Very high | 94.6 | Very high | 95 Ų | 95 | 109.1 Ų | 109.1 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -45.4 | 178.2 | -69.3 | 163.9 | 0 | 0 | 0 | 110.8 | L128 L129 V130 L134 I135 V136 | L128-I132 WeakPolarHBondContact O-CB 3.33Å; L128-I132 WeakPolarHBondContact O-CD1 3.32Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.34Å; L129-I132 PolarHBondContact O-N 3.23Å; V130-I132 PolarHBondContact O-N 3.35Å; I132-L134 PolarHBondContact O-N 2.98Å; I132-I135 PolarHBondContact O-N 2.98Å; I132-V136 HydrophobicContact CG2-CG2 4.34Å; I132-V136 WeakPolarHBondContact O-CG2 3.35Å; I132-V136 PolarHBondContact O-N 2.92Å |
| 133 | I | 95.2 | Very high | 94.5 | Very high | 108 Ų | 108 | 109.1 Ų | 109.1 | 55% | 0.554 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.3 | -44.4 | 178.6 | -69.4 | 164 | 0 | 0 | 0 | 110.8 | L129 V130 V136 M137 | L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 WeakPolarHBondContact O-CD1 3.45Å; L129-I133 VanDerWaalsContact O-CG1 3.23Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 3.31Å; V130-I133 PolarHBondContact O-N 3.4Å; I133-V136 PolarHBondContact O-N 3.34Å; I133-M137 WeakPolarHBondContact O-CB 3.34Å; I133-M137 PolarHBondContact O-N 3.3Å |
| 134 | L | 94.7 | Very high | 94.3 | Very high | 97 Ų | 97 | 111.1 Ų | 111.1 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.8 | -42.2 | 177.5 | -71.1 | 175.8 | 0 | 0 | 0 | 112 | V130 I131 I132 M137 K138 | V130-L134 HydrophobicContact CG1-CD1 4.14Å; V130-L134 HydrophobicContact CG1-CG 4.49Å; V130-L134 WeakPolarHBondContact O-CG 3.25Å; V130-L134 PolarHBondContact O-N 2.92Å; I131-L134 PolarHBondContact O-N 3.48Å; I132-L134 PolarHBondContact O-N 2.98Å; L134-M137 HydrophobicContact CD2-CE 4.27Å; L134-K138 VanDerWaalsContact O-CB 3.26Å; L134-K138 WeakPolarHBondContact O-CB 3.33Å; L134-K138 PolarHBondContact O-N 2.84Å |
| 135 | I | 95.5 | Very high | 94.1 | Very high | 93 Ų | 93 | 114.8 Ų | 114.8 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64 | -47.1 | 177 | -69.3 | 168.3 | 0 | 0 | 0 | 110.7 | I131 I132 M137 K138 Y139 | I131-I135 HydrophobicContact CG2-CD1 3.76Å; I131-I135 HydrophobicContact CG2-CG1 4.47Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.29Å; I131-I135 PolarHBondContact O-N 3.47Å; I132-I135 PolarHBondContact O-N 2.98Å; I135-M137 PolarHBondContact O-N 3Å; I135-K138 PolarHBondContact O-N 3.45Å; I135-Y139 HydrophobicContact CG2-CD2 4.18Å; I135-Y139 WeakPolarHBondContact O-CB 3.44Å; I135-Y139 PolarHBondContact O-N 2.95Å |
| 136 | V | 94.9 | Very high | 93.9 | Very high | 89 Ų | 89 | 119.1 Ų | 119.1 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.4 | -44.1 | 179.3 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | I132 I133 K138 Y139 R140 | I132-V136 HydrophobicContact CG2-CG2 4.34Å; I132-V136 WeakPolarHBondContact O-CG2 3.35Å; I132-V136 PolarHBondContact O-N 2.92Å; I133-V136 PolarHBondContact O-N 3.34Å; V136-K138 VanDerWaalsContact C-N 3.31Å; V136-K138 PolarHBondContact O-N 3.25Å; V136-Y139 PolarHBondContact O-N 3.49Å; V136-R140 WeakPolarHBondContact O-CB 3.26Å; V136-R140 PolarHBondContact O-N 2.93Å |
| 137 | M | 94 | Very high | 93.6 | Very high | 115 Ų | 115 | 121 Ų | 121 | 57% | 0.567 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.4 | -38.8 | 177.3 | -169.9 | 178 | 70.9 | 0 | 0 | 111.7 | I133 L134 I135 T141 | I133-M137 WeakPolarHBondContact O-CB 3.34Å; I133-M137 PolarHBondContact O-N 3.3Å; L134-M137 HydrophobicContact CD2-CE 4.27Å; I135-M137 PolarHBondContact O-N 3Å; M137-T141 PolarHBondContact O-N 3.3Å; M137-T141 PolarHBondContact O-OG1 3.36Å |
| 138 | K | 91.8 | Very high | 93.4 | Very high | 153 Ų | 153 | 122.3 Ų | 122.3 | 67% | 0.665 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.4 | -32.3 | 178.1 | -176.9 | 57 | -178.6 | 152.5 | 0 | 113.2 | L134 I135 V136 T141 | L134-K138 VanDerWaalsContact O-CB 3.26Å; L134-K138 WeakPolarHBondContact O-CB 3.33Å; L134-K138 PolarHBondContact O-N 2.84Å; I135-K138 PolarHBondContact O-N 3.45Å; V136-K138 VanDerWaalsContact C-N 3.31Å; V136-K138 PolarHBondContact O-N 3.25Å; K138-T141 VanDerWaalsContact O-OXT 3.11Å |
| 139 | Y | 93.9 | Very high | 93.1 | Very high | 206 Ų | 206 | 123.6 Ų | 123.6 | 81% | 0.808 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77.1 | -28.1 | 176.2 | -111.5 | -89.7 | 0 | 0 | 0 | 112.9 | I135 V136 | I135-Y139 HydrophobicContact CG2-CD2 4.18Å; I135-Y139 WeakPolarHBondContact O-CB 3.44Å; I135-Y139 PolarHBondContact O-N 2.95Å; V136-Y139 PolarHBondContact O-N 3.49Å |
| 140 | R | 90.3 | Very high | 92.9 | Very high | 231 Ų | 231 | 125.3 Ų | 125.3 | 87% | 0.872 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.4 | -22.7 | 178.3 | -165 | -177.1 | -178.2 | 177.3 | 2.4 | 113 | V136 | V136-R140 WeakPolarHBondContact O-CB 3.26Å; V136-R140 PolarHBondContact O-N 2.93Å |
| 141 | T | 76.1 | Confident | 92.5 | Very high | 152 Ų | 152 | 130 Ų | 130 | 93% | 0.933 | 63% | 0.625 | S | S | * | * | trans | -97.3 | 0 | 179.8 | -51.5 | 0 | 0 | 0 | 0 | 110.7 | M137 K138 | M137-T141 PolarHBondContact O-N 3.3Å; M137-T141 PolarHBondContact O-OG1 3.36Å; K138-T141 VanDerWaalsContact O-OXT 3.11Å |
Retrieved 141 of 141 residues in 136.3 ms
(Link to these results)