| 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 | 49.3 | Very low | 56 | Low | 237 Ų | 237 | 133.6 Ų | 133.6 | 100% | 1.167 | 73% | 0.732 | S | S | * | * | 0 | 93.6 | 0 | -75.2 | -77.1 | -83.5 | 0 | 0 | 110.4 | |||||
| 2 | R | 49.8 | Very low | 56.4 | Low | 252 Ų | 252 | 132 Ų | 132 | 95% | 0.951 | 72% | 0.721 | S | S | * | * | trans | 169.2 | 103.7 | 148.7 | -102.4 | 167.6 | 168.5 | 164.7 | -4.5 | 109.3 | ||||
| 3 | G | 51.7 | Low | 56.8 | Low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | -80.1 | 149.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 4 | P | 55 | Low | 57 | Low | 130 Ų | 130 | 132.2 Ų | 132.2 | 84% | 0.844 | 72% | 0.718 | S | S | * | * | trans | -95.5 | 98.3 | 174.2 | 34.4 | -26.1 | 0 | 0 | 0 | 109.7 | ||||
| 5 | G | 57.1 | Low | 57.3 | Low | 46 Ų | 46 | 130.8 Ų | 130.8 | 47% | 0.474 | 72% | 0.715 | S | S | . | * | trans | -139.1 | 25.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 6 | R | 59.1 | Low | 57.5 | Low | 216 Ų | 216 | 131 Ų | 131 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -114.4 | -24 | -174.3 | -75.6 | -178.2 | 160.5 | -176.6 | -6.6 | 117.5 | ||
| 7 | P | 57.1 | Low | 57.4 | Low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -83.6 | -25.7 | 179.5 | 30.2 | -31 | 0 | 0 | 0 | 113.7 | G11 | P7-G11 PolarHBondContact O-N 3.28Å |
| 8 | L | 58 | Low | 57.1 | Low | 143 Ų | 143 | 125.3 Ų | 125.3 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -71.2 | -33 | -179.8 | -76.7 | 159.9 | 0 | 0 | 0 | 112.9 | L12 | L8-L12 PolarHBondContact O-N 3.37Å |
| 9 | L | 58.3 | Low | 56.9 | Low | 109 Ų | 109 | 123.7 Ų | 123.7 | 57% | 0.571 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -69.8 | -38 | 178.6 | -82 | 160.2 | 0 | 0 | 0 | 112.3 | L12 L13 | L9-L12 PolarHBondContact O-N 3.21Å; L9-L13 WeakPolarHBondContact O-CD1 3.5Å; L9-L13 PolarHBondContact O-N 3.5Å |
| 10 | L | 59.9 | Low | 56.5 | Low | 118 Ų | 118 | 121.3 Ų | 121.3 | 62% | 0.618 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -69.9 | -35.9 | 176.3 | -91 | 94.1 | 0 | 0 | 0 | 112.5 | L13 L14 | L10-L13 PolarHBondContact O-N 3.19Å; L10-L14 PolarHBondContact O-N 3.26Å |
| 11 | G | 60.7 | Low | 56.5 | Low | 41 Ų | 41 | 127.5 Ų | 127.5 | 42% | 0.423 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -63.7 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P7 L14 V15 | P7-G11 PolarHBondContact O-N 3.28Å; G11-L14 PolarHBondContact O-N 3.37Å; G11-V15 WeakPolarHBondContact O-CG2 3.48Å; G11-V15 PolarHBondContact O-N 3.5Å |
| 12 | L | 61.2 | Low | 56.1 | Low | 114 Ų | 114 | 120 Ų | 120 | 60% | 0.597 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -67.3 | -37 | 178.7 | -156.9 | 78.1 | 0 | 0 | 0 | 112.5 | L8 L9 L14 V15 L16 | L8-L12 PolarHBondContact O-N 3.37Å; L9-L12 PolarHBondContact O-N 3.21Å; L12-L14 PolarHBondContact O-N 3.33Å; L12-V15 PolarHBondContact O-N 3.36Å; L12-L16 HydrophobicContact CG-CD1 4.41Å; L12-L16 PolarHBondContact O-N 3.47Å |
| 13 | L | 60.8 | Low | 56.4 | Low | 129 Ų | 129 | 120.2 Ų | 120.2 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -65.3 | -33.4 | 176 | -92.6 | 147.8 | 0 | 0 | 0 | 113 | L9 L10 | L9-L13 WeakPolarHBondContact O-CD1 3.5Å; L9-L13 PolarHBondContact O-N 3.5Å; L10-L13 PolarHBondContact O-N 3.19Å |
| 14 | L | 59.9 | Low | 56 | Low | 138 Ų | 138 | 120.3 Ų | 120.3 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -71.9 | -36.1 | 174.9 | -104.1 | 96.8 | 0 | 0 | 0 | 112.9 | L10 G11 L12 G17 | L10-L14 PolarHBondContact O-N 3.26Å; G11-L14 PolarHBondContact O-N 3.37Å; L12-L14 PolarHBondContact O-N 3.33Å; L14-G17 PolarHBondContact O-N 3.46Å |
| 15 | V | 61.3 | Low | 55.6 | Low | 111 Ų | 111 | 117.9 Ų | 117.9 | 67% | 0.673 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -70.6 | -33.2 | -179.7 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | G11 L12 G17 | G11-V15 WeakPolarHBondContact O-CG2 3.48Å; G11-V15 PolarHBondContact O-N 3.5Å; L12-V15 PolarHBondContact O-N 3.36Å; V15-G17 VanDerWaalsContact C-N 3.31Å; V15-G17 PolarHBondContact O-N 3.36Å |
| 16 | L | 60.2 | Low | 54.9 | Low | 134 Ų | 134 | 120.5 Ų | 120.5 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -74.8 | -16.4 | 176.5 | -77.1 | 155.6 | 0 | 0 | 0 | 113.8 | L12 | L12-L16 HydrophobicContact CG-CD1 4.41Å; L12-L16 PolarHBondContact O-N 3.47Å |
| 17 | G | 57 | Low | 54 | Low | 69 Ų | 69 | 118.4 Ų | 118.4 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -14.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L14 V15 | L14-G17 PolarHBondContact O-N 3.46Å; V15-G17 VanDerWaalsContact C-N 3.31Å; V15-G17 PolarHBondContact O-N 3.36Å |
| 18 | A | 52.2 | Low | 53.4 | Low | 91 Ų | 91 | 117.8 Ų | 117.8 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -103.1 | -7.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 19 | A | 51.9 | Low | 52.8 | Low | 94 Ų | 94 | 122.1 Ų | 122.1 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -109.6 | 70.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 20 | G | 50.3 | Low | 52.6 | Low | 76 Ų | 76 | 122.3 Ų | 122.3 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | -174.1 | 31.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 21 | R | 55 | Low | 52.1 | Low | 251 Ų | 251 | 122.3 Ų | 122.3 | 95% | 0.947 | 74% | 0.741 | S | S | * | * | trans | -122.1 | 65.4 | 170.1 | -157.8 | 162.3 | 161.6 | 143.6 | -6.9 | 110 | ||||
| 22 | G | 41.1 | Very low | 51.8 | Low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 74% | 0.743 | S | S | * | * | trans | -94.4 | 101.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 23 | R | 56.5 | Low | 51.9 | Low | 257 Ų | 257 | 122.3 Ų | 122.3 | 97% | 0.97 | 74% | 0.74 | S | S | * | * | trans | -80 | 118.4 | 170.6 | -175.9 | -178.9 | -175.4 | -158.1 | 1.5 | 107.7 | ||||
| 24 | G | 43.3 | Very low | 52.3 | Low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 169.2 | 110.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 25 | G | 46.5 | Very low | 53 | Low | 78 Ų | 78 | 119.2 Ų | 119.2 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 100.4 | 100.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 26 | A | 42.2 | Very low | 54 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | trans | 53.2 | 133 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 27 | E | 41.1 | Very low | 55.2 | Low | 172 Ų | 172 | 115 Ų | 115 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | 81.5 | 156.5 | 148.6 | -93.6 | -72.5 | 88.6 | 0 | 0 | 119.8 | ||||
| 28 | P | 42.9 | Very low | 56.6 | Low | 91 Ų | 91 | 117.4 Ų | 117.4 | 59% | 0.591 | 71% | 0.708 | S | S | * | * | -109.2 | 166.9 | -116.8 | 38.7 | -22.1 | 0 | 0 | 0 | 113.1 | E30 | P28-E30 PolarHBondContact O-N 3.38Š| |||
| 29 | R | 46.2 | Very low | 58.4 | Low | 234 Ų | 234 | 122.5 Ų | 122.5 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | -61.4 | 121.7 | 176.6 | -68.4 | 165.5 | 109.1 | 103.2 | -5.1 | 110.8 | ||||
| 30 | E | 54.2 | Low | 60.2 | Low | 112 Ų | 112 | 123.6 Ų | 123.6 | 52% | 0.523 | 70% | 0.7 | S | S | . | * | trans | -132.2 | 89.1 | 166.7 | -101.8 | -52.7 | 143.5 | 0 | 0 | 113.9 | P28 A32 D33 | P28-E30 PolarHBondContact O-N 3.38Å; E30-A32 PolarHBondContact OE2-N 3.45Å; E30-D33 HydrophobicContact CG-CB 4.49Å; E30-D33 WeakPolarHBondContact OE2-CA 3.46Å; E30-D33 WeakPolarHBondContact OE2-CB 3.22Å; E30-D33 PolarHBondContact OE2-N 3.04Å | ||
| 31 | P | 48.9 | Very low | 62.2 | Low | 118 Ų | 118 | 123.7 Ų | 123.7 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -110.9 | 13.3 | 153.1 | 35.9 | -29 | 0 | 0 | 0 | 112.8 | ||
| 32 | A | 55.4 | Low | 64 | Low | 57 Ų | 57 | 115.6 Ų | 115.6 | 47% | 0.471 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -102.3 | -21.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E30 Q35 A36 | E30-A32 PolarHBondContact OE2-N 3.45Å; A32-Q35 PolarHBondContact O-N 2.69Å; A32-A36 WeakPolarHBondContact O-CB 3.37Å; A32-A36 PolarHBondContact O-N 3.37Å |
| 33 | D | 62.8 | Low | 66.4 | Low | 99 Ų | 99 | 117.7 Ų | 117.7 | 53% | 0.529 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.8 | -42.6 | -170.2 | -140 | -87.3 | 0 | 0 | 0 | 111.8 | E30 Q35 A36 L37 | E30-D33 HydrophobicContact CG-CB 4.49Å; E30-D33 WeakPolarHBondContact OE2-CA 3.46Å; E30-D33 WeakPolarHBondContact OE2-CB 3.22Å; E30-D33 PolarHBondContact OE2-N 3.04Å; D33-Q35 VanDerWaalsContact C-N 3.34Å; D33-Q35 PolarHBondContact O-N 2.9Å; D33-A36 PolarHBondContact O-N 3.25Å; D33-L37 WeakPolarHBondContact O-CB 3.2Å; D33-L37 PolarHBondContact O-N 3.37Å |
| 34 | G | 69.1 | Low | 67.8 | Low | 46 Ų | 46 | 110.9 Ų | 110.9 | 47% | 0.474 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -62.9 | -40.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L38 | G34-L38 WeakPolarHBondContact O-CB 3.5Å; G34-L38 WeakPolarHBondContact O-CG 3.4Å; G34-L38 PolarHBondContact O-N 3.07Å |
| 35 | Q | 76.1 | Confident | 70 | Confident | 156 Ų | 156 | 110.1 Ų | 110.1 | 73% | 0.729 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.9 | -34.6 | 179.1 | -163.3 | 167.4 | 19.2 | 0 | 0 | 111.8 | A32 D33 R39 | A32-Q35 PolarHBondContact O-N 2.69Å; D33-Q35 VanDerWaalsContact C-N 3.34Å; D33-Q35 PolarHBondContact O-N 2.9Å; Q35-R39 WeakPolarHBondContact O-CB 3.42Å; Q35-R39 PolarHBondContact O-N 3.29Å; Q35-R39 VanDerWaalsContact O-N 3.08Å |
| 36 | A | 80.7 | Confident | 71.9 | Confident | 54 Ų | 54 | 111.4 Ų | 111.4 | 45% | 0.446 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | A32 D33 R39 L40 | A32-A36 WeakPolarHBondContact O-CB 3.37Å; A32-A36 PolarHBondContact O-N 3.37Å; D33-A36 PolarHBondContact O-N 3.25Å; A36-R39 WeakPolarHBondContact O-CB 3.2Å; A36-R39 PolarHBondContact O-N 3.42Å; A36-L40 PolarHBondContact O-N 3.08Å |
| 37 | L | 86.7 | Confident | 73.5 | Confident | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.5 | -45.9 | 177.1 | -178.3 | 63.7 | 0 | 0 | 0 | 111.4 | D33 R39 L40 V41 | D33-L37 WeakPolarHBondContact O-CB 3.2Å; D33-L37 PolarHBondContact O-N 3.37Å; L37-R39 VanDerWaalsContact C-N 3.26Å; L37-R39 PolarHBondContact O-N 3.09Å; L37-L40 WeakPolarHBondContact O-CB 3.36Å; L37-L40 PolarHBondContact O-N 3.07Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.45Å; L37-V41 PolarHBondContact O-N 3.38Å |
| 38 | L | 85.4 | Confident | 75 | Confident | 120 Ų | 120 | 106.4 Ų | 106.4 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.5 | -38.8 | 175.7 | -71.5 | 172.7 | 0 | 0 | 0 | 111.6 | G34 V41 V42 | G34-L38 WeakPolarHBondContact O-CB 3.5Å; G34-L38 WeakPolarHBondContact O-CG 3.4Å; G34-L38 PolarHBondContact O-N 3.07Å; L38-V41 PolarHBondContact O-N 2.78Å; L38-V42 WeakPolarHBondContact O-CG2 3.46Å; L38-V42 PolarHBondContact O-N 2.95Å; L38-V42 VanDerWaalsContact O-N 3.09Å |
| 39 | R | 90.1 | Very high | 76.5 | Confident | 198 Ų | 198 | 110.7 Ų | 110.7 | 75% | 0.747 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.4 | -44 | 175.3 | -164.4 | 176.8 | -174.9 | -166.5 | -0.2 | 111.6 | Q35 A36 L37 V42 E43 | Q35-R39 WeakPolarHBondContact O-CB 3.42Å; Q35-R39 PolarHBondContact O-N 3.29Å; Q35-R39 VanDerWaalsContact O-N 3.08Å; A36-R39 WeakPolarHBondContact O-CB 3.2Å; A36-R39 PolarHBondContact O-N 3.42Å; L37-R39 VanDerWaalsContact C-N 3.26Å; L37-R39 PolarHBondContact O-N 3.09Å; R39-V42 PolarHBondContact O-N 2.91Å; R39-E43 PolarHBondContact O-N 2.94Å |
| 40 | L | 89.3 | Confident | 77.8 | Confident | 118 Ų | 118 | 105 Ų | 105 | 62% | 0.618 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 176.9 | -135.9 | 94.5 | 0 | 0 | 0 | 112.4 | A36 L37 E43 L44 | A36-L40 PolarHBondContact O-N 3.08Å; L37-L40 WeakPolarHBondContact O-CB 3.36Å; L37-L40 PolarHBondContact O-N 3.07Å; L40-E43 PolarHBondContact O-N 3.19Å; L40-L44 WeakPolarHBondContact O-CB 3.29Å; L40-L44 PolarHBondContact O-N 3.34Å |
| 41 | V | 92.4 | Very high | 78.2 | Confident | 77 Ų | 77 | 105 Ų | 105 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 178.5 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | L37 L38 E43 L44 V45 | L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.45Å; L37-V41 PolarHBondContact O-N 3.38Å; L38-V41 PolarHBondContact O-N 2.78Å; V41-E43 VanDerWaalsContact C-N 3.34Å; V41-L44 PolarHBondContact O-N 2.96Å; V41-V45 VanDerWaalsContact O-CG2 3.3Å; V41-V45 WeakPolarHBondContact O-CG2 3.39Å; V41-V45 PolarHBondContact O-N 2.74Å |
| 42 | V | 93.4 | Very high | 78.6 | Confident | 81 Ų | 81 | 105.6 Ų | 105.6 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L38 R39 V45 Q46 | L38-V42 WeakPolarHBondContact O-CG2 3.46Å; L38-V42 PolarHBondContact O-N 2.95Å; L38-V42 VanDerWaalsContact O-N 3.09Å; R39-V42 PolarHBondContact O-N 2.91Å; V42-V45 PolarHBondContact O-N 3.44Å; V42-Q46 WeakPolarHBondContact O-CG 3.3Å; V42-Q46 PolarHBondContact O-N 3.01Å |
| 43 | E | 90.9 | Very high | 78.4 | Confident | 124 Ų | 124 | 106.4 Ų | 106.4 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 177.5 | -166.2 | 166.7 | -172.8 | 0 | 0 | 111.4 | R39 L40 V41 V45 Q46 E47 | R39-E43 PolarHBondContact O-N 2.94Å; L40-E43 PolarHBondContact O-N 3.19Å; V41-E43 VanDerWaalsContact C-N 3.34Å; E43-V45 PolarHBondContact O-N 3.37Å; E43-Q46 PolarHBondContact O-N 3.43Å; E43-E47 PolarHBondContact O-N 3.27Å |
| 44 | L | 86.4 | Confident | 77.9 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 60% | 0.597 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 176.8 | -172 | 65 | 0 | 0 | 0 | 112.8 | L40 V41 E47 L48 | L40-L44 WeakPolarHBondContact O-CB 3.29Å; L40-L44 PolarHBondContact O-N 3.34Å; V41-L44 PolarHBondContact O-N 2.96Å; L44-E47 PolarHBondContact O-N 2.95Å; L44-L48 HydrophobicContact CG-CD1 4.37Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 WeakPolarHBondContact O-CG 3.45Å; L44-L48 PolarHBondContact O-N 3.17Å |
| 45 | V | 88.9 | Confident | 76.8 | Confident | 61 Ų | 61 | 109.1 Ų | 109.1 | 37% | 0.37 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | V41 V42 E43 R49 | V41-V45 VanDerWaalsContact O-CG2 3.3Å; V41-V45 WeakPolarHBondContact O-CG2 3.39Å; V41-V45 PolarHBondContact O-N 2.74Å; V42-V45 PolarHBondContact O-N 3.44Å; E43-V45 PolarHBondContact O-N 3.37Å; V45-R49 WeakPolarHBondContact O-CG 3.36Å; V45-R49 PolarHBondContact O-N 3.13Å |
| 46 | Q | 86.6 | Confident | 75.3 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.4 | -75.7 | -172.9 | 26.8 | 0 | 0 | 111.3 | V42 E43 R49 K50 | V42-Q46 WeakPolarHBondContact O-CG 3.3Å; V42-Q46 PolarHBondContact O-N 3.01Å; E43-Q46 PolarHBondContact O-N 3.43Å; Q46-R49 PolarHBondContact O-N 2.9Å; Q46-K50 WeakPolarHBondContact O-CG 3.35Å; Q46-K50 PolarHBondContact O-N 2.98Å |
| 47 | E | 77.1 | Confident | 73.5 | Confident | 79 Ų | 79 | 113.1 Ų | 113.1 | 37% | 0.369 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -43.8 | 179.7 | -145.4 | 56.3 | -154.1 | 0 | 0 | 111.2 | E43 L44 R49 K50 H51 | E43-E47 PolarHBondContact O-N 3.27Å; L44-E47 PolarHBondContact O-N 2.95Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.46Å; E47-K50 WeakPolarHBondContact O-CB 3.47Å; E47-K50 PolarHBondContact O-N 3.45Å; E47-K50 VanDerWaalsContact O-N 3.13Å; E47-K50 WeakPolarHBondContact OE2-CD 3.46Å; E47-K50 IonicContact OE2-NZ 2.74Å; E47-K50 PolarHBondContact OE2-NZ 3.19Å; E47-H51 PolarHBondContact O-CD2 3.38Å; E47-H51 PolarHBondContact O-N 3Å |
| 48 | L | 72.8 | Confident | 71.2 | Confident | 89 Ų | 89 | 110.4 Ų | 110.4 | 47% | 0.466 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.6 | -42.6 | 171.7 | -74.7 | 168.1 | 0 | 0 | 0 | 112.2 | L44 K50 H51 H52 | L44-L48 HydrophobicContact CG-CD1 4.37Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 WeakPolarHBondContact O-CG 3.45Å; L44-L48 PolarHBondContact O-N 3.17Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-K50 PolarHBondContact O-N 3.01Å; L48-H51 PolarHBondContact O-N 3.12Å; L48-H52 WeakPolarHBondContact O-CB 3.43Å; L48-H52 PolarHBondContact O-CD2 3.07Å; L48-H52 PolarHBondContact O-N 3.3Å |
| 49 | R | 74.4 | Confident | 69.1 | Low | 181 Ų | 181 | 110 Ų | 110 | 68% | 0.683 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.1 | -36.9 | 175.1 | -75.7 | -173.8 | -148.2 | -175 | 6.5 | 112.9 | V45 Q46 E47 H52 S53 | V45-R49 WeakPolarHBondContact O-CG 3.36Å; V45-R49 PolarHBondContact O-N 3.13Å; Q46-R49 PolarHBondContact O-N 2.9Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.46Å; R49-H52 PolarHBondContact O-N 2.98Å; R49-S53 WeakPolarHBondContact O-CB 3.26Å; R49-S53 PolarHBondContact O-N 2.88Å |
| 50 | K | 71.8 | Confident | 66.7 | Low | 116 Ų | 116 | 107.6 Ų | 107.6 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.4 | -69.2 | 172.9 | -164.8 | 162 | 0 | 110.9 | Q46 E47 L48 S53 A54 | Q46-K50 WeakPolarHBondContact O-CG 3.35Å; Q46-K50 PolarHBondContact O-N 2.98Å; E47-K50 WeakPolarHBondContact O-CB 3.47Å; E47-K50 PolarHBondContact O-N 3.45Å; E47-K50 VanDerWaalsContact O-N 3.13Å; E47-K50 WeakPolarHBondContact OE2-CD 3.46Å; E47-K50 IonicContact OE2-NZ 2.74Å; E47-K50 PolarHBondContact OE2-NZ 3.19Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-K50 PolarHBondContact O-N 3.01Å; K50-S53 PolarHBondContact O-N 3.38Å; K50-A54 PolarHBondContact O-N 2.83Å |
| 51 | H | 62.3 | Low | 64.4 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 51% | 0.514 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -39.7 | 175.4 | -67.6 | -64.7 | 0 | 0 | 0 | 112.6 | E47 L48 S53 A54 E55 | E47-H51 PolarHBondContact O-CD2 3.38Å; E47-H51 PolarHBondContact O-N 3Å; L48-H51 PolarHBondContact O-N 3.12Å; H51-S53 VanDerWaalsContact C-N 3.34Å; H51-S53 PolarHBondContact O-N 3.05Å; H51-A54 PolarHBondContact O-N 3.5Å; H51-E55 PolarHBondContact O-N 3.08Å |
| 52 | H | 59.3 | Low | 62 | Low | 130 Ų | 130 | 112.2 Ų | 112.2 | 60% | 0.602 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.6 | -31.6 | 175.2 | -78.1 | -128 | 0 | 0 | 0 | 112.5 | L48 R49 H56 | L48-H52 WeakPolarHBondContact O-CB 3.43Å; L48-H52 PolarHBondContact O-CD2 3.07Å; L48-H52 PolarHBondContact O-N 3.3Å; R49-H52 PolarHBondContact O-N 2.98Å; H52-H56 VanDerWaalsContact O-CB 3.26Å; H52-H56 WeakPolarHBondContact O-CB 3.49Å; H52-H56 PolarHBondContact O-N 2.97Å |
| 53 | S | 50.9 | Low | 59.2 | Low | 74 Ų | 74 | 111 Ų | 111 | 52% | 0.517 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74 | -26.8 | 175.2 | -170.7 | 0 | 0 | 0 | 0 | 112.7 | R49 K50 H51 K57 | R49-S53 WeakPolarHBondContact O-CB 3.26Å; R49-S53 PolarHBondContact O-N 2.88Å; K50-S53 PolarHBondContact O-N 3.38Å; H51-S53 VanDerWaalsContact C-N 3.34Å; H51-S53 PolarHBondContact O-N 3.05Å; S53-K57 PolarHBondContact O-N 3.38Å |
| 54 | A | 50.9 | Low | 56.5 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.9 | -43.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K50 H51 H56 K57 G58 | K50-A54 PolarHBondContact O-N 2.83Å; H51-A54 PolarHBondContact O-N 3.5Å; A54-H56 PolarHBondContact O-N 3.32Å; A54-K57 PolarHBondContact O-N 3.07Å; A54-G58 PolarHBondContact O-N 3.02Å |
| 55 | E | 46.6 | Very low | 54.1 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.8 | -36.8 | 174.4 | -79.3 | -86.1 | 94.5 | 0 | 0 | 112.5 | H51 K57 G58 L59 | H51-E55 PolarHBondContact O-N 3.08Å; E55-K57 VanDerWaalsContact C-N 3.27Å; E55-K57 PolarHBondContact O-N 2.86Å; E55-G58 PolarHBondContact O-N 3.28Å; E55-G58 VanDerWaalsContact O-N 3.16Å; E55-L59 WeakPolarHBondContact O-CB 3.48Å; E55-L59 PolarHBondContact O-N 3.41Å |
| 56 | H | 44.1 | Very low | 51.8 | Low | 131 Ų | 131 | 119.6 Ų | 119.6 | 61% | 0.606 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.9 | -18.7 | 177.4 | -156.1 | -79.8 | 0 | 0 | 0 | 113.2 | H52 A54 | H52-H56 VanDerWaalsContact O-CB 3.26Å; H52-H56 WeakPolarHBondContact O-CB 3.49Å; H52-H56 PolarHBondContact O-N 2.97Å; A54-H56 PolarHBondContact O-N 3.32Å |
| 57 | K | 42.5 | Very low | 49.5 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 71% | 0.709 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -83.3 | -31.6 | 166.9 | -86 | -178.1 | 173.7 | -173.7 | 0 | 112.2 | S53 A54 E55 | S53-K57 PolarHBondContact O-N 3.38Å; A54-K57 PolarHBondContact O-N 3.07Å; E55-K57 VanDerWaalsContact C-N 3.27Å; E55-K57 PolarHBondContact O-N 2.86Å |
| 58 | G | 39.7 | Very low | 47.9 | Very low | 45 Ų | 45 | 124.2 Ų | 124.2 | 46% | 0.464 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -70.7 | -32.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | A54 E55 Q60 L61 | A54-G58 PolarHBondContact O-N 3.02Å; E55-G58 PolarHBondContact O-N 3.28Å; E55-G58 VanDerWaalsContact O-N 3.16Å; G58-Q60 VanDerWaalsContact C-N 3.26Å; G58-Q60 PolarHBondContact O-N 3.36Å; G58-L61 PolarHBondContact O-N 3.35Å |
| 59 | L | 41.8 | Very low | 46 | Very low | 112 Ų | 112 | 124 Ų | 124 | 59% | 0.586 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -15.5 | 176.2 | -89.9 | 151.3 | 0 | 0 | 0 | 114.4 | E55 | E55-L59 WeakPolarHBondContact O-CB 3.48Å; E55-L59 PolarHBondContact O-N 3.41Å |
| 60 | Q | 38.3 | Very low | 44.7 | Very low | 146 Ų | 146 | 127 Ų | 127 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -12.8 | 174.8 | -67.8 | -156.2 | 99.6 | 0 | 0 | 113.9 | G58 | G58-Q60 VanDerWaalsContact C-N 3.26Å; G58-Q60 PolarHBondContact O-N 3.36Å |
| 61 | L | 41.6 | Very low | 43.3 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -28.4 | 174.8 | -160.7 | 139.4 | 0 | 0 | 0 | 111.9 | G58 G63 | G58-L61 PolarHBondContact O-N 3.35Å; L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 2.98Å |
| 62 | L | 41 | Very low | 42 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -2.7 | 173.2 | -153.5 | 84.9 | 0 | 0 | 0 | 113.5 | ||
| 63 | G | 34.5 | Very low | 41.2 | Very low | 56 Ų | 56 | 127.1 Ų | 127.1 | 58% | 0.577 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 1.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L61 | L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 2.98Å |
| 64 | R | 34.7 | Very low | 40.7 | Very low | 212 Ų | 212 | 128.4 Ų | 128.4 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -113.2 | 28.8 | -176 | -161.3 | 137.5 | 76.7 | 173.4 | 5.1 | 114.5 | ||
| 65 | D | 36.1 | Very low | 40.5 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -116.2 | 6.4 | 167.8 | -65.6 | -40.4 | 0 | 0 | 0 | 113.4 | ||
| 66 | C | 41.1 | Very low | 40.4 | Very low | 122 Ų | 122 | 131 Ų | 131 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -101.1 | 16 | -178.9 | -60.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 67 | A | 38.2 | Very low | 40 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -138.1 | 28.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 68 | L | 42.5 | Very low | 40 | Very low | 182 Ų | 182 | 126.5 Ų | 126.5 | 95% | 0.953 | 77% | 0.772 | S | S | * | * | trans | -121.7 | 85.2 | 168.3 | -156.7 | 112.3 | 0 | 0 | 0 | 110.2 | ||||
| 69 | G | 33.8 | Very low | 40.1 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -164.3 | 44.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 70 | R | 47.4 | Very low | 40.3 | Very low | 245 Ų | 245 | 129.6 Ų | 129.6 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -136.4 | 122.1 | 167 | -169.5 | 166.6 | -176.3 | 161.4 | 0.7 | 109 | ||||
| 71 | A | 42.2 | Very low | 40.9 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 86.1 | 116.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 72 | E | 34.9 | Very low | 41.3 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | cis | -159.7 | 150.5 | 21.1 | -95.3 | -124.8 | 96.1 | 0 | 0 | 111.5 | ||||
| 73 | A | 42.2 | Very low | 41.8 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 28.6 | 117.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 74 | A | 40.4 | Very low | 42.5 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | 151.7 | 116.7 | 109 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 75 | G | 46.7 | Very low | 43.3 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 28.9 | 115.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 76 | L | 43.9 | Very low | 44.3 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | -173.2 | 140 | 127.2 | -94.6 | 151.9 | 0 | 0 | 0 | 108.8 | |||||
| 77 | G | 36.5 | Very low | 45.2 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | -64.8 | 177.5 | -156.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | S79 | G77-S79 PolarHBondContact O-N 3.04Å; G77-S79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | P | 42.1 | Very low | 46.2 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -76.2 | 103.6 | -174.2 | 31.1 | -31.3 | 0 | 0 | 0 | 110.5 | ||||
| 79 | S | 43.3 | Very low | 46.9 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -79.8 | 133.5 | 162.9 | -170.4 | 0 | 0 | 0 | 0 | 108.3 | G77 E81 | G77-S79 PolarHBondContact O-N 3.04Å; G77-S79 VanDerWaalsContact O-N 3.14Å; S79-E81 PolarHBondContact O-N 3.11Å | ||
| 80 | P | 44.6 | Very low | 47.9 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -61 | 134.3 | -172.6 | 26.5 | -33.6 | 0 | 0 | 0 | 109.5 | Q82 | P80-Q82 VanDerWaalsContact C-N 3.34Å; P80-Q82 PolarHBondContact O-N 3.41Å | ||
| 81 | E | 52 | Low | 48.5 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | -44.3 | 96.9 | 171.8 | -67.9 | 146.1 | 73.8 | 0 | 0 | 110.2 | S79 R83 | S79-E81 PolarHBondContact O-N 3.11Å; E81-R83 HydrophobicContact CB-CG 4.19Å; E81-R83 PolarHBondContact O-N 3.29Å; E81-R83 IonicContact OE1-CZ 2.68Å; E81-R83 IonicContact OE1-NE 2.67Å; E81-R83 IonicContact OE1-NH2 3.32Å; E81-R83 PolarHBondContact OE1-NH2 3.47Å | ||
| 82 | Q | 49.9 | Very low | 49.6 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -71.8 | 75.5 | 158.6 | -164.7 | 161.2 | -28.8 | 0 | 0 | 105.7 | P80 V84 | P80-Q82 VanDerWaalsContact C-N 3.34Å; P80-Q82 PolarHBondContact O-N 3.41Å; Q82-V84 HydrophobicContact CG-CG2 4.11Å; Q82-V84 PolarHBondContact O-N 2.98Å | ||
| 83 | R | 51.8 | Low | 51.8 | Low | 206 Ų | 206 | 130.8 Ų | 130.8 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -59 | 91 | 158.7 | -70.6 | -176 | -176.1 | -145.1 | 0 | 104.9 | E81 E85 | E81-R83 HydrophobicContact CB-CG 4.19Å; E81-R83 PolarHBondContact O-N 3.29Å; E81-R83 IonicContact OE1-CZ 2.68Å; E81-R83 IonicContact OE1-NE 2.67Å; E81-R83 IonicContact OE1-NH2 3.32Å; E81-R83 PolarHBondContact OE1-NH2 3.47Å; R83-E85 PolarHBondContact O-N 3.07Å | ||
| 84 | V | 48 | Very low | 53.9 | Low | 103 Ų | 103 | 127.4 Ų | 127.4 | 62% | 0.624 | 69% | 0.692 | S | S | * | * | trans | -65.1 | 89.6 | 165.3 | -177.3 | 0 | 0 | 0 | 0 | 104.3 | Q82 I86 | Q82-V84 HydrophobicContact CG-CG2 4.11Å; Q82-V84 PolarHBondContact O-N 2.98Å; V84-I86 HydrophobicContact CG1-CG1 4.27Å; V84-I86 PolarHBondContact O-N 3.18Å | ||
| 85 | E | 51.9 | Low | 56.1 | Low | 163 Ų | 163 | 125.3 Ų | 125.3 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | trans | -58.8 | 98.4 | 162.6 | -167.3 | -178.8 | 174.2 | 0 | 0 | 104.9 | R83 V87 | R83-E85 PolarHBondContact O-N 3.07Å; E85-V87 HydrophobicContact CB-CG2 4.32Å; E85-V87 HydrophobicContact CG-CG2 3.79Å; E85-V87 PolarHBondContact O-N 3.29Å | ||
| 86 | I | 58 | Low | 58 | Low | 146 Ų | 146 | 128.7 Ų | 128.7 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | trans | -68.9 | 76.1 | 167.4 | -57.4 | 167.9 | 0 | 0 | 0 | 104.9 | V84 P88 | V84-I86 HydrophobicContact CG1-CG1 4.27Å; V84-I86 PolarHBondContact O-N 3.18Å; I86-P88 WeakPolarHBondContact O-CD 3.32Å | ||
| 87 | V | 58 | Low | 60.1 | Low | 85 Ų | 85 | 125.5 Ų | 125.5 | 52% | 0.515 | 64% | 0.64 | S | S | . | * | trans | -59.7 | 116.7 | 161.2 | -179.3 | 0 | 0 | 0 | 0 | 104.2 | E85 R89 | E85-V87 HydrophobicContact CB-CG2 4.32Å; E85-V87 HydrophobicContact CG-CG2 3.79Å; E85-V87 PolarHBondContact O-N 3.29Å; V87-R89 VanDerWaalsContact C-N 3.31Å; V87-R89 PolarHBondContact O-N 2.02Å | ||
| 88 | P | 59.6 | Low | 62.6 | Low | 91 Ų | 91 | 122.7 Ų | 122.7 | 59% | 0.591 | 61% | 0.609 | S | S | * | * | trans | -60.9 | 98.5 | 178.6 | -21.5 | 33.9 | 0 | 0 | 0 | 108.1 | I86 D90 | I86-P88 WeakPolarHBondContact O-CD 3.32Å; P88-D90 PolarHBondContact O-N 2.95Å | ||
| 89 | R | 57.5 | Low | 64.9 | Low | 233 Ų | 233 | 121.7 Ų | 121.7 | 88% | 0.879 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -64.6 | 7.3 | -168.3 | -96.8 | -170.8 | 179.1 | -175.2 | 0.7 | 115.2 | V87 | V87-R89 VanDerWaalsContact C-N 3.31Å; V87-R89 PolarHBondContact O-N 2.02Å |
| 90 | D | 55.2 | Low | 67.1 | Low | 75 Ų | 75 | 124.2 Ų | 124.2 | 40% | 0.401 | 59% | 0.591 | S | S | . | * | trans | -150 | 98.2 | 175.5 | -89.4 | -62 | 0 | 0 | 0 | 112.8 | P88 R92 M93 | P88-D90 PolarHBondContact O-N 2.95Å; D90-R92 PolarHBondContact O-N 2.53Å; D90-R92 VanDerWaalsContact O-N 3.13Å; D90-M93 HydrophobicContact CB-CB 4.08Å; D90-M93 HydrophobicContact CB-CE 3.84Å; D90-M93 HydrophobicContact CB-CG 3.83Å; D90-M93 PolarHBondContact O-N 3.35Å | ||
| 91 | L | 59.9 | Low | 69.3 | Low | 155 Ų | 155 | 122.4 Ų | 122.4 | 81% | 0.812 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -52.4 | -25.8 | 156 | -67.3 | 171.2 | 0 | 0 | 0 | 111.3 | M93 K94 | L91-M93 VanDerWaalsContact C-N 3.33Å; L91-M93 PolarHBondContact O-N 2.68Å; L91-K94 PolarHBondContact O-N 3.24Å |
| 92 | R | 64.9 | Low | 71.2 | Confident | 186 Ų | 186 | 116.8 Ų | 116.8 | 70% | 0.702 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -72.1 | -20.6 | 177.6 | -56.1 | -174.9 | 83.9 | -171.3 | 7 | 113.6 | D90 K96 | D90-R92 PolarHBondContact O-N 2.53Å; D90-R92 VanDerWaalsContact O-N 3.13Å; R92-K96 WeakPolarHBondContact O-CG 3.38Å |
| 93 | M | 80.5 | Confident | 73.1 | Confident | 115 Ų | 115 | 109.7 Ų | 109.7 | 57% | 0.567 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -74.5 | -37.2 | 174.6 | -84.8 | -162.6 | -80.9 | 0 | 0 | 111.7 | D90 L91 D95 K96 F97 | D90-M93 HydrophobicContact CB-CB 4.08Å; D90-M93 HydrophobicContact CB-CE 3.84Å; D90-M93 HydrophobicContact CB-CG 3.83Å; D90-M93 PolarHBondContact O-N 3.35Å; L91-M93 VanDerWaalsContact C-N 3.33Å; L91-M93 PolarHBondContact O-N 2.68Å; M93-D95 VanDerWaalsContact C-N 3.32Å; M93-D95 PolarHBondContact O-N 2.85Å; M93-K96 PolarHBondContact O-N 3.35Å; M93-F97 WeakPolarHBondContact O-CB 3.17Å; M93-F97 PolarHBondContact O-N 2.89Å |
| 94 | K | 86.3 | Confident | 74.7 | Confident | 15 Ų | 15 | 105 Ų | 105 | 7% | 0.065 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -54.1 | -51.1 | 178.8 | -179.8 | 176.5 | 69.9 | 162.2 | 0 | 111.4 | L91 K96 F97 L98 Y119 C125 Y131 | L91-K94 PolarHBondContact O-N 3.24Å; K94-K96 PolarHBondContact O-N 3.38Å; K94-F97 PolarHBondContact O-N 3.16Å; K94-L98 HydrophobicContact CD-CD1 4.11Å; K94-L98 HydrophobicContact CG-CD1 3.64Å; K94-L98 HydrophobicContact CG-CG 4.34Å; K94-L98 WeakPolarHBondContact O-CB 2.97Å; K94-L98 WeakPolarHBondContact O-CG 3.01Å; K94-L98 PolarHBondContact O-N 3.06Å; K94-Y119 HydrophobicContact CD-CE2 4.44Å; K94-Y119 VanDerWaalsContact CE-CE1 3.4Å; K94-Y119 WeakPolarHBondContact CE-OH 3.3Å; K94-Y119 VanDerWaalsContact NZ-CE1 3.33Å; K94-Y119 PolarHBondContact NZ-O 3.33Å; K94-C125 WeakPolarHBondContact CD-O 3.05Å; K94-Y131 HydrophobicContact CB-CE2 4.03Å; K94-Y131 WeakPolarHBondContact CB-OH 3.44Å; K94-Y131 HydrophobicContact CD-CE1 4.08Å; K94-Y131 HydrophobicContact CG-CE1 4.07Å; K94-Y131 HydrophobicContact CG-CE2 4Å |
| 95 | D | 86.9 | Confident | 76.4 | Confident | 58 Ų | 58 | 102.5 Ų | 102.5 | 31% | 0.31 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | -177 | -175.1 | 58.1 | 0 | 0 | 0 | 111.6 | M93 K99 Y119 | M93-D95 VanDerWaalsContact C-N 3.32Å; M93-D95 PolarHBondContact O-N 2.85Å; D95-K99 VanDerWaalsContact O-CB 3.26Å; D95-K99 WeakPolarHBondContact O-CB 3.43Å; D95-K99 WeakPolarHBondContact O-CG 3.47Å; D95-K99 PolarHBondContact O-N 2.89Å; D95-K99 WeakPolarHBondContact OD1-CE 3.33Å; D95-K99 IonicContact OD1-NZ 3.51Å; D95-K99 PolarHBondContact OD1-NZ 3.49Å; D95-K99 VanDerWaalsContact OD2-CE 3.28Å; D95-K99 WeakPolarHBondContact OD2-CE 3.29Å; D95-K99 IonicContact OD2-NZ 3.35Å; D95-K99 PolarHBondContact OD2-NZ 3.29Å; D95-Y119 VanDerWaalsContact CA-OH 3.26Å; D95-Y119 WeakPolarHBondContact CA-OH 3.47Å; D95-Y119 WeakPolarHBondContact CB-OH 3.4Å; D95-Y119 PolarHBondContact OD1-OH 3.1Å |
| 96 | K | 86.9 | Confident | 77.8 | Confident | 143 Ų | 143 | 104.3 Ų | 104.3 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 176.3 | -66.7 | 176.8 | -177.7 | -175.3 | 0 | 112.2 | R92 M93 K94 H100 | R92-K96 WeakPolarHBondContact O-CG 3.38Å; M93-K96 PolarHBondContact O-N 3.35Å; K94-K96 PolarHBondContact O-N 3.38Å; K96-H100 WeakPolarHBondContact O-CB 3.39Å; K96-H100 PolarHBondContact O-N 2.87Å |
| 97 | F | 88.5 | Confident | 79.1 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | -178.1 | -139.6 | -83.8 | 0 | 0 | 0 | 111.4 | M93 K94 H100 L101 Y131 | M93-F97 WeakPolarHBondContact O-CB 3.17Å; M93-F97 PolarHBondContact O-N 2.89Å; K94-F97 PolarHBondContact O-N 3.16Å; F97-H100 PolarHBondContact O-N 3.45Å; F97-L101 HydrophobicContact CD1-CD1 3.88Å; F97-L101 HydrophobicContact CD1-CG 4.3Å; F97-L101 HydrophobicContact CE1-CD1 4.19Å; F97-L101 WeakPolarHBondContact O-CG 3.05Å; F97-L101 PolarHBondContact O-N 3.21Å; F97-Y131 HydrophobicContact CB-CD2 4.35Å |
| 98 | L | 89.5 | Confident | 80.3 | Confident | 4 Ų | 4 | 96 Ų | 96 | 2% | 0.021 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 178.5 | -70.9 | 173.5 | 0 | 0 | 0 | 111.1 | K94 H100 L101 T102 Y119 Y131 C134 A135 L138 | K94-L98 HydrophobicContact CD-CD1 4.11Å; K94-L98 HydrophobicContact CG-CD1 3.64Å; K94-L98 HydrophobicContact CG-CG 4.34Å; K94-L98 WeakPolarHBondContact O-CB 2.97Å; K94-L98 WeakPolarHBondContact O-CG 3.01Å; K94-L98 PolarHBondContact O-N 3.06Å; L98-H100 VanDerWaalsContact C-N 3.29Å; L98-H100 PolarHBondContact O-N 3.42Å; L98-L101 PolarHBondContact O-N 3.29Å; L98-L101 VanDerWaalsContact O-N 3.12Å; L98-T102 PolarHBondContact O-N 3.43Å; L98-T102 PolarHBondContact O-OG1 3.01Å; L98-Y119 HydrophobicContact CD1-CD2 3.94Å; L98-Y119 HydrophobicContact CD1-CE2 3.39Å; L98-Y131 WeakPolarHBondContact CD2-O 3.43Å; L98-C134 HydrophobicContact CD2-CB 4.1Å; L98-A135 HydrophobicContact CD2-CB 4.06Å; L98-L138 HydrophobicContact CD1-CD1 4.13Å; L98-L138 HydrophobicContact CD2-CD1 4.44Å |
| 99 | K | 89.3 | Confident | 81.6 | Confident | 117 Ų | 117 | 97 Ų | 97 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 173.8 | -75.4 | 171.9 | 175.7 | 171 | 0 | 113.1 | D95 G103 | D95-K99 VanDerWaalsContact O-CB 3.26Å; D95-K99 WeakPolarHBondContact O-CB 3.43Å; D95-K99 WeakPolarHBondContact O-CG 3.47Å; D95-K99 PolarHBondContact O-N 2.89Å; D95-K99 WeakPolarHBondContact OD1-CE 3.33Å; D95-K99 IonicContact OD1-NZ 3.51Å; D95-K99 PolarHBondContact OD1-NZ 3.49Å; D95-K99 VanDerWaalsContact OD2-CE 3.28Å; D95-K99 WeakPolarHBondContact OD2-CE 3.29Å; D95-K99 IonicContact OD2-NZ 3.35Å; D95-K99 PolarHBondContact OD2-NZ 3.29Å; K99-G103 CarbonylContact O-C 3.57Å; K99-G103 WeakPolarHBondContact O-CA 3.16Å; K99-G103 PolarHBondContact O-N 3Å |
| 100 | H | 89.6 | Confident | 82.8 | Confident | 161 Ų | 161 | 92.1 Ų | 92.1 | 75% | 0.745 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.3 | -37.9 | 175.3 | -173.1 | 70.1 | 0 | 0 | 0 | 112.2 | K96 F97 L98 | K96-H100 WeakPolarHBondContact O-CB 3.39Å; K96-H100 PolarHBondContact O-N 2.87Å; F97-H100 PolarHBondContact O-N 3.45Å; L98-H100 VanDerWaalsContact C-N 3.29Å; L98-H100 PolarHBondContact O-N 3.42Å |
| 101 | L | 91.3 | Very high | 84.3 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 39% | 0.387 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77.5 | -36.6 | 179.9 | -69.7 | 176.3 | 0 | 0 | 0 | 113.6 | F97 L98 K132 A135 | F97-L101 HydrophobicContact CD1-CD1 3.88Å; F97-L101 HydrophobicContact CD1-CG 4.3Å; F97-L101 HydrophobicContact CE1-CD1 4.19Å; F97-L101 WeakPolarHBondContact O-CG 3.05Å; F97-L101 PolarHBondContact O-N 3.21Å; L98-L101 PolarHBondContact O-N 3.29Å; L98-L101 VanDerWaalsContact O-N 3.12Å; L101-K132 HydrophobicContact CD1-CG 4.36Å; L101-A135 HydrophobicContact CB-CB 3.94Å; L101-A135 HydrophobicContact CD1-CB 4.16Å |
| 102 | T | 92 | Very high | 85.7 | Confident | 30 Ų | 30 | 84.5 Ų | 84.5 | 18% | 0.184 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -99.9 | -16.7 | -175.4 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | L98 L105 A135 | L98-T102 PolarHBondContact O-N 3.43Å; L98-T102 PolarHBondContact O-OG1 3.01Å; T102-L105 HydrophobicContact CG2-CD1 3.97Å; T102-A135 HydrophobicContact CG2-CB 3.59Å |
| 103 | G | 88.8 | Confident | 87 | Confident | 27 Ų | 27 | 84.2 Ų | 84.2 | 28% | 0.278 | 42% | 0.419 | S | S | . | . | trans | 69.4 | -171.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K99 L105 | K99-G103 CarbonylContact O-C 3.57Å; K99-G103 WeakPolarHBondContact O-CA 3.16Å; K99-G103 PolarHBondContact O-N 3Å; G103-L105 PolarHBondContact O-N 3.28Å; G103-L105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | P | 86.1 | Confident | 87.4 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -66.3 | 109.9 | 173.2 | 27.5 | -32.2 | 0 | 0 | 0 | 110.1 | Y106 | P104-Y106 HydrophobicContact CB-CE2 4.04Š|
| 105 | L | 84.8 | Confident | 87.7 | Confident | 50 Ų | 50 | 85.3 Ų | 85.3 | 26% | 0.262 | 42% | 0.422 | S | S | . | . | trans | -96.3 | 126.8 | 171.7 | -64 | -176.7 | 0 | 0 | 0 | 109.7 | T102 G103 F107 L138 A142 | T102-L105 HydrophobicContact CG2-CD1 3.97Å; G103-L105 PolarHBondContact O-N 3.28Å; G103-L105 VanDerWaalsContact O-N 3.14Å; L105-F107 HydrophobicContact CB-CD2 4.44Å; L105-F107 HydrophobicContact CB-CE2 3.61Å; L105-F107 HydrophobicContact CB-CZ 3.84Å; L105-F107 HydrophobicContact CD1-CE2 4.23Å; L105-F107 HydrophobicContact CD1-CZ 3.77Å; L105-F107 HydrophobicContact CG-CZ 4.44Å; L105-L138 HydrophobicContact CD1-CB 3.78Å; L105-A142 HydrophobicContact CD2-CB 4.03Å | ||
| 106 | Y | 80.9 | Confident | 88 | Confident | 201 Ų | 201 | 87.7 Ų | 87.7 | 79% | 0.788 | 43% | 0.431 | S | S | * | . | trans | -106.1 | 131.3 | 171.7 | -64.1 | -87.7 | 0 | 0 | 0 | 108.5 | P104 | P104-Y106 HydrophobicContact CB-CE2 4.04Š| ||
| 107 | F | 85.3 | Confident | 88.2 | Confident | 44 Ų | 44 | 89.4 Ų | 89.4 | 19% | 0.193 | 43% | 0.433 | C | S | . | . | trans | -118.6 | 135.3 | 177.8 | -61.8 | -81.9 | 0 | 0 | 0 | 109.6 | L105 F115 L141 A142 | L105-F107 HydrophobicContact CB-CD2 4.44Å; L105-F107 HydrophobicContact CB-CE2 3.61Å; L105-F107 HydrophobicContact CB-CZ 3.84Å; L105-F107 HydrophobicContact CD1-CE2 4.23Å; L105-F107 HydrophobicContact CD1-CZ 3.77Å; L105-F107 HydrophobicContact CG-CZ 4.44Å; F107-F115 HydrophobicContact CD1-CB 4.42Å; F107-F115 HydrophobicContact CD2-CB 4.23Å; F107-F115 HydrophobicContact CD2-CD1 4.43Å; F107-F115 AromaticContact CD2-CD2 3.64Å; F107-F115 HydrophobicContact CD2-CD2 3.64Å; F107-F115 HydrophobicContact CD2-CE2 4.09Å; F107-F115 AromaticContact CD2-CG 3.83Å; F107-F115 HydrophobicContact CD2-CG 3.83Å; F107-F115 HydrophobicContact CE1-CD2 4.21Å; F107-F115 HydrophobicContact CE2-CB 4.47Å; F107-F115 AromaticContact CE2-CD2 3.16Å; F107-F115 HydrophobicContact CE2-CD2 3.16Å; F107-F115 AromaticContact CE2-CE2 3.41Å; F107-F115 HydrophobicContact CE2-CE2 3.41Å; F107-F115 VanDerWaalsContact CE2-CE2 3.41Å; F107-F115 AromaticContact CE2-CG 3.85Å; F107-F115 HydrophobicContact CE2-CG 3.85Å; F107-F115 HydrophobicContact CE2-CZ 4.27Å; F107-F115 HydrophobicContact CG-CB 4.2Å; F107-F115 HydrophobicContact CG-CD2 4.34Å; F107-F115 HydrophobicContact CG-CG 4.31Å; F107-F115 AromaticContact CZ-CD2 3.48Å; F107-F115 HydrophobicContact CZ-CD2 3.48Å; F107-F115 VanDerWaalsContact CZ-CD2 3.48Å; F107-F115 AromaticContact CZ-CE2 3.97Å; F107-F115 HydrophobicContact CZ-CE2 3.97Å; F107-F115 HydrophobicContact CZ-CG 4.33Å; F107-L141 HydrophobicContact CD1-CD2 4.08Å; F107-L141 HydrophobicContact CD1-CG 4.31Å; F107-L141 HydrophobicContact CE1-CB 4.04Å; F107-L141 HydrophobicContact CE1-CD2 3.79Å; F107-L141 HydrophobicContact CE1-CG 4Å; F107-A142 HydrophobicContact CD1-CB 4.32Å; F107-A142 HydrophobicContact CE1-CB 3.68Å; F107-A142 HydrophobicContact CZ-CB 4.19Å | ||
| 108 | S | 83.2 | Confident | 88.4 | Confident | 11 Ų | 11 | 84.8 Ų | 84.8 | 8% | 0.077 | 41% | 0.414 | C | S | . | . | trans | -55.7 | 151.8 | 168.3 | 152.7 | 0 | 0 | 0 | 0 | 111.4 | K110 C111 S112 C147 D150 | S108-K110 PolarHBondContact O-N 3.39Å; S108-K110 PolarHBondContact OG-N 2.88Å; S108-C111 CarbonylContact O-C 3.54Å; S108-C111 PolarHBondContact O-N 3.36Å; S108-S112 PolarHBondContact O-N 3.18Å; S108-C147 WeakPolarHBondContact CB-O 3.26Å; S108-D150 WeakPolarHBondContact OG-CB 3.14Å; S108-D150 VanDerWaalsContact OG-CG 3.27Å; S108-D150 PolarHBondContact OG-OD2 2.77Å | ||
| 109 | P | 86.1 | Confident | 88.5 | Confident | 113 Ų | 113 | 85.6 Ų | 85.6 | 73% | 0.734 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -49.8 | -36.2 | 169.2 | -24.8 | 33.6 | 0 | 0 | 0 | 114.1 | C111 S112 | P109-C111 VanDerWaalsContact C-N 3.27Å; P109-C111 PolarHBondContact O-N 2.99Å; P109-S112 PolarHBondContact O-N 2.84Å |
| 110 | K | 83.3 | Confident | 88.6 | Confident | 130 Ų | 130 | 84 Ų | 84 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.4 | -35.6 | 177.8 | -68.9 | -174 | -170.8 | 140.1 | 0 | 112.1 | S108 D150 | S108-K110 PolarHBondContact O-N 3.39Å; S108-K110 PolarHBondContact OG-N 2.88Å; K110-D150 WeakPolarHBondContact CD-OD2 3.4Å; K110-D150 WeakPolarHBondContact CE-OD1 3.28Å; K110-D150 WeakPolarHBondContact CE-OD2 3.18Å; K110-D150 WeakPolarHBondContact CG-OD2 3.49Å; K110-D150 IonicContact NZ-OD1 3.36Å; K110-D150 PolarHBondContact NZ-OD1 3.33Å; K110-D150 IonicContact NZ-OD2 3.92Å; K110-D150 PolarHBondContact NZ-OD2 3.14Å |
| 111 | C | 87.1 | Confident | 88.7 | Confident | 6 Ų | 6 | 82.1 Ų | 82.1 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -99.4 | -8.1 | -179.6 | -73.3 | 0 | 0 | 0 | 0 | 114.7 | S108 P109 K113 H114 F115 C147 | S108-C111 CarbonylContact O-C 3.54Å; S108-C111 PolarHBondContact O-N 3.36Å; P109-C111 VanDerWaalsContact C-N 3.27Å; P109-C111 PolarHBondContact O-N 2.99Å; C111-K113 VanDerWaalsContact C-N 3.26Å; C111-K113 PolarHBondContact O-N 3.01Å; C111-H114 PolarHBondContact O-N 3.14Å; C111-F115 PolarHBondContact O-N 3.3Å; C111-C147 HydrophobicContact CB-CB 3.62Å; C111-C147 WeakPolarHBondContact CB-SG 3.14Å; C111-C147 WeakPolarHBondContact SG-CA 3.43Å; C111-C147 WeakPolarHBondContact SG-CB 3.19Å; C111-C147 CovalentContact SG-SG 2.02Å; C111-C147 PolarHBondContact SG-SG 3.36Å |
| 112 | S | 89.3 | Confident | 88.7 | Confident | 64 Ų | 64 | 80.6 Ų | 80.6 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.2 | -41.5 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | S108 P109 H114 F115 H116 | S108-S112 PolarHBondContact O-N 3.18Å; P109-S112 PolarHBondContact O-N 2.84Å; S112-H114 PolarHBondContact O-N 2.89Å; S112-F115 PolarHBondContact O-N 3.06Å; S112-H116 WeakPolarHBondContact O-CB 3.36Å; S112-H116 PolarHBondContact O-N 3.08Å |
| 113 | K | 91.1 | Very high | 88.7 | Confident | 180 Ų | 180 | 88.6 Ų | 88.6 | 78% | 0.783 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 175.1 | -174.6 | 177.8 | -179.1 | 178.2 | 0 | 112.5 | C111 H116 R117 | C111-K113 VanDerWaalsContact C-N 3.26Å; C111-K113 PolarHBondContact O-N 3.01Å; K113-H116 PolarHBondContact O-N 2.86Å; K113-R117 PolarHBondContact O-N 3.12Å; K113-R117 VanDerWaalsContact O-N 3.1Å |
| 114 | H | 89.8 | Confident | 88.8 | Confident | 102 Ų | 102 | 89.2 Ų | 89.2 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 179.1 | -167.1 | 96.9 | 0 | 0 | 0 | 111.1 | C111 S112 H116 R117 L118 L141 | C111-H114 PolarHBondContact O-N 3.14Å; S112-H114 PolarHBondContact O-N 2.89Å; H114-H116 PolarHBondContact O-N 3.33Å; H114-R117 PolarHBondContact O-N 2.03Å; H114-L118 VanDerWaalsContact O-CB 3.31Å; H114-L118 WeakPolarHBondContact O-CB 3.46Å; H114-L118 PolarHBondContact O-N 2.82Å; H114-L141 HydrophobicContact CB-CD1 4.32Å; H114-L141 HydrophobicContact CB-CD2 4.49Å; H114-L141 WeakPolarHBondContact CD2-CD1 3.26Å |
| 115 | F | 92.4 | Very high | 88.9 | Confident | 52 Ų | 52 | 84 Ų | 84 | 23% | 0.228 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.4 | -50.9 | 172.6 | 166.1 | -98.4 | 0 | 0 | 0 | 111 | F107 C111 S112 R117 L118 Y119 L138 L141 | F107-F115 HydrophobicContact CD1-CB 4.42Å; F107-F115 HydrophobicContact CD2-CB 4.23Å; F107-F115 HydrophobicContact CD2-CD1 4.43Å; F107-F115 AromaticContact CD2-CD2 3.64Å; F107-F115 HydrophobicContact CD2-CD2 3.64Å; F107-F115 HydrophobicContact CD2-CE2 4.09Å; F107-F115 AromaticContact CD2-CG 3.83Å; F107-F115 HydrophobicContact CD2-CG 3.83Å; F107-F115 HydrophobicContact CE1-CD2 4.21Å; F107-F115 HydrophobicContact CE2-CB 4.47Å; F107-F115 AromaticContact CE2-CD2 3.16Å; F107-F115 HydrophobicContact CE2-CD2 3.16Å; F107-F115 AromaticContact CE2-CE2 3.41Å; F107-F115 HydrophobicContact CE2-CE2 3.41Å; F107-F115 VanDerWaalsContact CE2-CE2 3.41Å; F107-F115 AromaticContact CE2-CG 3.85Å; F107-F115 HydrophobicContact CE2-CG 3.85Å; F107-F115 HydrophobicContact CE2-CZ 4.27Å; F107-F115 HydrophobicContact CG-CB 4.2Å; F107-F115 HydrophobicContact CG-CD2 4.34Å; F107-F115 HydrophobicContact CG-CG 4.31Å; F107-F115 AromaticContact CZ-CD2 3.48Å; F107-F115 HydrophobicContact CZ-CD2 3.48Å; F107-F115 VanDerWaalsContact CZ-CD2 3.48Å; F107-F115 AromaticContact CZ-CE2 3.97Å; F107-F115 HydrophobicContact CZ-CE2 3.97Å; F107-F115 HydrophobicContact CZ-CG 4.33Å; C111-F115 PolarHBondContact O-N 3.3Å; S112-F115 PolarHBondContact O-N 3.06Å; F115-R117 VanDerWaalsContact C-N 3.33Å; F115-R117 PolarHBondContact O-N 3.44Å; F115-L118 PolarHBondContact O-N 3.49Å; F115-Y119 HydrophobicContact CE2-CD2 4.22Å; F115-Y119 HydrophobicContact CE2-CG 4.41Å; F115-Y119 HydrophobicContact CZ-CD2 4.13Å; F115-Y119 HydrophobicContact CZ-CG 4.11Å; F115-Y119 WeakPolarHBondContact O-CB 3.26Å; F115-Y119 PolarHBondContact O-N 2.87Å; F115-L138 HydrophobicContact CD2-CD2 3.6Å; F115-L138 HydrophobicContact CE2-CD2 3.64Å; F115-L141 HydrophobicContact CB-CD2 3.81Å |
| 116 | H | 91.9 | Very high | 89.2 | Confident | 108 Ų | 108 | 85 Ų | 85 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | -178.7 | -166.6 | -79.6 | 0 | 0 | 0 | 111.8 | S112 K113 H114 H120 | S112-H116 WeakPolarHBondContact O-CB 3.36Å; S112-H116 PolarHBondContact O-N 3.08Å; K113-H116 PolarHBondContact O-N 2.86Å; H114-H116 PolarHBondContact O-N 3.33Å; H116-H120 AromaticContact CD2-CD2 3.74Å; H116-H120 AromaticContact CE1-CD2 3.5Å; H116-H120 PolarHBondContact CE1-CD2 2.83Å; H116-H120 VanDerWaalsContact CE1-CD2 3.5Å; H116-H120 AromaticContact CG-CD2 3.88Å; H116-H120 AromaticContact ND1-CD2 3.73Å; H116-H120 AromaticContact NE2-CD2 3.5Å; H116-H120 PolarHBondContact NE2-CD2 3.39Å; H116-H120 AromaticContact NE2-NE2 3.7Å; H116-H120 WeakPolarHBondContact O-CB 3.41Å; H116-H120 PolarHBondContact O-CD2 3.28Å; H116-H120 PolarHBondContact O-N 3.37Å; H116-H120 VanDerWaalsContact O-N 3.1Å |
| 117 | R | 93.1 | Very high | 89.6 | Confident | 178 Ų | 178 | 78.7 Ų | 78.7 | 67% | 0.672 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 175.3 | -174.6 | 179.7 | 178.4 | 179.9 | 0.5 | 111.6 | K113 H114 F115 N121 | K113-R117 PolarHBondContact O-N 3.12Å; K113-R117 VanDerWaalsContact O-N 3.1Å; H114-R117 PolarHBondContact O-N 2.03Å; F115-R117 VanDerWaalsContact C-N 3.33Å; F115-R117 PolarHBondContact O-N 3.44Å; R117-N121 VanDerWaalsContact O-CB 3.23Å; R117-N121 WeakPolarHBondContact O-CB 3.23Å; R117-N121 PolarHBondContact O-N 2.84Å |
| 118 | L | 92.8 | Very high | 89.7 | Confident | 20 Ų | 20 | 80.1 Ų | 80.1 | 11% | 0.105 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.3 | -50 | -179.7 | -177.6 | 62.5 | 0 | 0 | 0 | 110.8 | H114 F115 H120 T122 C125 L137 L138 L141 | H114-L118 VanDerWaalsContact O-CB 3.31Å; H114-L118 WeakPolarHBondContact O-CB 3.46Å; H114-L118 PolarHBondContact O-N 2.82Å; F115-L118 PolarHBondContact O-N 3.49Å; L118-H120 PolarHBondContact O-N 3.2Å; L118-T122 WeakPolarHBondContact CA-OG1 3.46Å; L118-T122 HydrophobicContact CD1-CG2 4.27Å; L118-T122 WeakPolarHBondContact CD1-OG1 3.32Å; L118-T122 WeakPolarHBondContact O-CB 3.4Å; L118-T122 PolarHBondContact O-N 3.48Å; L118-T122 PolarHBondContact O-OG1 3.47Å; L118-C125 WeakPolarHBondContact O-CB 3.48Å; L118-C125 PolarHBondContact O-SG 2.92Å; L118-L137 HydrophobicContact CD1-CB 4.31Å; L118-L137 HydrophobicContact CD1-CD1 4.22Å; L118-L137 HydrophobicContact CD2-CB 3.97Å; L118-L138 HydrophobicContact CD2-CD2 3.89Å; L118-L138 HydrophobicContact CG-CD2 4.29Å; L118-L141 HydrophobicContact CD2-CD2 4.38Å |
| 119 | Y | 91.3 | Very high | 90 | Very high | 21 Ų | 21 | 83.6 Ų | 83.6 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.6 | -36 | -174.1 | -175.2 | -99 | 0 | 0 | 0 | 113.6 | K94 D95 L98 F115 C125 L138 | K94-Y119 HydrophobicContact CD-CE2 4.44Å; K94-Y119 VanDerWaalsContact CE-CE1 3.4Å; K94-Y119 WeakPolarHBondContact CE-OH 3.3Å; K94-Y119 VanDerWaalsContact NZ-CE1 3.33Å; K94-Y119 PolarHBondContact NZ-O 3.33Å; D95-Y119 VanDerWaalsContact CA-OH 3.26Å; D95-Y119 WeakPolarHBondContact CA-OH 3.47Å; D95-Y119 WeakPolarHBondContact CB-OH 3.4Å; D95-Y119 PolarHBondContact OD1-OH 3.1Å; L98-Y119 HydrophobicContact CD1-CD2 3.94Å; L98-Y119 HydrophobicContact CD1-CE2 3.39Å; F115-Y119 HydrophobicContact CE2-CD2 4.22Å; F115-Y119 HydrophobicContact CE2-CG 4.41Å; F115-Y119 HydrophobicContact CZ-CD2 4.13Å; F115-Y119 HydrophobicContact CZ-CG 4.11Å; F115-Y119 WeakPolarHBondContact O-CB 3.26Å; F115-Y119 PolarHBondContact O-N 2.87Å; Y119-C125 WeakPolarHBondContact O-CB 3.16Å; Y119-L138 HydrophobicContact CD2-CD1 4.05Å |
| 120 | H | 90.9 | Very high | 90.3 | Very high | 85 Ų | 85 | 83.6 Ų | 83.6 | 39% | 0.394 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -99.1 | -29.7 | -177.3 | -69.7 | -74 | 0 | 0 | 0 | 114.5 | H116 L118 T126 | H116-H120 AromaticContact CD2-CD2 3.74Å; H116-H120 AromaticContact CE1-CD2 3.5Å; H116-H120 PolarHBondContact CE1-CD2 2.83Å; H116-H120 VanDerWaalsContact CE1-CD2 3.5Å; H116-H120 AromaticContact CG-CD2 3.88Å; H116-H120 AromaticContact ND1-CD2 3.73Å; H116-H120 AromaticContact NE2-CD2 3.5Å; H116-H120 PolarHBondContact NE2-CD2 3.39Å; H116-H120 AromaticContact NE2-NE2 3.7Å; H116-H120 WeakPolarHBondContact O-CB 3.41Å; H116-H120 PolarHBondContact O-CD2 3.28Å; H116-H120 PolarHBondContact O-N 3.37Å; H116-H120 VanDerWaalsContact O-N 3.1Å; L118-H120 PolarHBondContact O-N 3.2Å; H120-T126 VanDerWaalsContact O-CG2 3.26Å; H120-T126 WeakPolarHBondContact O-CG2 3.49Å |
| 121 | N | 90.4 | Very high | 90.7 | Very high | 120 Ų | 120 | 78.8 Ų | 78.8 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -109.4 | -9.1 | -168.5 | -56.1 | -15.1 | 0 | 0 | 0 | 114.1 | R117 | R117-N121 VanDerWaalsContact O-CB 3.23Å; R117-N121 WeakPolarHBondContact O-CB 3.23Å; R117-N121 PolarHBondContact O-N 2.84Å |
| 122 | T | 92.3 | Very high | 91 | Very high | 42 Ų | 42 | 85.9 Ų | 85.9 | 26% | 0.258 | 42% | 0.415 | S | S | . | . | trans | -91 | 134.2 | -176.7 | -50.3 | 0 | 0 | 0 | 0 | 110.8 | L118 D124 C125 T126 | L118-T122 WeakPolarHBondContact CA-OG1 3.46Å; L118-T122 HydrophobicContact CD1-CG2 4.27Å; L118-T122 WeakPolarHBondContact CD1-OG1 3.32Å; L118-T122 WeakPolarHBondContact O-CB 3.4Å; L118-T122 PolarHBondContact O-N 3.48Å; L118-T122 PolarHBondContact O-OG1 3.47Å; T122-D124 HydrophobicContact CG2-CB 4.13Å; T122-D124 PolarHBondContact O-N 3.35Å; T122-C125 CarbonylContact O-C 3.48Å; T122-C125 WeakPolarHBondContact O-CA 3.43Å; T122-C125 PolarHBondContact O-N 3.26Å; T122-T126 PolarHBondContact O-N 3.35Å; T122-T126 PolarHBondContact O-OG1 2.9Å | ||
| 123 | R | 91.2 | Very high | 91.3 | Very high | 199 Ų | 199 | 90.1 Ų | 90.1 | 75% | 0.751 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -53.7 | -38.1 | 178.1 | -68.8 | -176.7 | 179.2 | 175.6 | -0.6 | 113.1 | C125 T126 I127 | R123-C125 PolarHBondContact O-N 3.02Å; R123-T126 WeakPolarHBondContact CA-OG1 3.13Å; R123-T126 PolarHBondContact O-N 3.48Å; R123-T126 PolarHBondContact O-OG1 2.85Å; R123-I127 HydrophobicContact CB-CD1 4.37Å; R123-I127 PolarHBondContact O-N 2.94Å; R123-I127 VanDerWaalsContact O-N 3.09Å |
| 124 | D | 92.1 | Very high | 91.3 | Very high | 39 Ų | 39 | 81.6 Ų | 81.6 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -29.7 | 176.5 | -66.6 | -31.4 | 0 | 0 | 0 | 112.7 | T122 Y130 R133 C134 L137 | T122-D124 HydrophobicContact CG2-CB 4.13Å; T122-D124 PolarHBondContact O-N 3.35Å; D124-Y130 CarbonylContact O-C 3.29Å; D124-Y130 VanDerWaalsContact O-C 3.29Å; D124-R133 VanDerWaalsContact CG-CD 3.48Å; D124-R133 WeakPolarHBondContact OD1-CD 3.36Å; D124-R133 WeakPolarHBondContact OD2-CD 3.46Å; D124-C134 HydrophobicContact CB-CB 4.43Å; D124-C134 VanDerWaalsContact O-CB 3.31Å; D124-C134 WeakPolarHBondContact O-CB 3.4Å; D124-L137 HydrophobicContact CB-CD1 4.15Å |
| 125 | C | 88.5 | Confident | 91.6 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -102 | -5.1 | -177.8 | -61.4 | 0 | 0 | 0 | 0 | 113.6 | K94 L118 Y119 T122 R123 C134 | K94-C125 WeakPolarHBondContact CD-O 3.05Å; L118-C125 WeakPolarHBondContact O-CB 3.48Å; L118-C125 PolarHBondContact O-SG 2.92Å; Y119-C125 WeakPolarHBondContact O-CB 3.16Å; T122-C125 CarbonylContact O-C 3.48Å; T122-C125 WeakPolarHBondContact O-CA 3.43Å; T122-C125 PolarHBondContact O-N 3.26Å; R123-C125 PolarHBondContact O-N 3.02Å; C125-C134 VanDerWaalsContact CA-SG 3.5Å; C125-C134 HydrophobicContact CB-CB 3.93Å; C125-C134 WeakPolarHBondContact CB-SG 3.3Å; C125-C134 WeakPolarHBondContact SG-CB 3.49Å; C125-C134 CovalentContact SG-SG 2.03Å; C125-C134 PolarHBondContact SG-SG 3.07Å |
| 126 | T | 89.6 | Confident | 91.7 | Very high | 70 Ų | 70 | 83.1 Ų | 83.1 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -106.1 | -22.3 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | H120 T122 R123 | H120-T126 VanDerWaalsContact O-CG2 3.26Å; H120-T126 WeakPolarHBondContact O-CG2 3.49Å; T122-T126 PolarHBondContact O-N 3.35Å; T122-T126 PolarHBondContact O-OG1 2.9Å; R123-T126 WeakPolarHBondContact CA-OG1 3.13Å; R123-T126 PolarHBondContact O-N 3.48Å; R123-T126 PolarHBondContact O-OG1 2.85Å |
| 127 | I | 89.8 | Confident | 91.8 | Very high | 69 Ų | 69 | 80.5 Ų | 80.5 | 35% | 0.354 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -103.9 | 121.1 | -179.4 | -58.2 | 170.3 | 0 | 0 | 0 | 109.8 | R123 A129 Y130 Y131 | R123-I127 HydrophobicContact CB-CD1 4.37Å; R123-I127 PolarHBondContact O-N 2.94Å; R123-I127 VanDerWaalsContact O-N 3.09Å; I127-A129 VanDerWaalsContact C-N 3.27Å; I127-A129 HydrophobicContact CG2-CB 4.25Å; I127-A129 PolarHBondContact O-N 3.12Å; I127-A129 VanDerWaalsContact O-N 3.15Å; I127-Y130 HydrophobicContact CB-CD2 3.72Å; I127-Y130 HydrophobicContact CB-CE2 4.19Å; I127-Y130 HydrophobicContact CD1-CD2 4.05Å; I127-Y130 HydrophobicContact CD1-CE2 3.9Å; I127-Y130 HydrophobicContact CG1-CD2 4.46Å; I127-Y130 HydrophobicContact CG2-CD2 3.78Å; I127-Y130 HydrophobicContact CG2-CE2 3.89Å; I127-Y130 PolarHBondContact O-N 3.34Å; I127-Y131 WeakPolarHBondContact O-CD1 3.31Å |
| 128 | P | 88.2 | Confident | 91.7 | Very high | 73 Ų | 73 | 72.2 Ų | 72.2 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -55.1 | -35.7 | -175.5 | -28.8 | 35.2 | 0 | 0 | 0 | 115.4 | Y130 Y131 | P128-Y130 PolarHBondContact O-N 2.97Å; P128-Y130 VanDerWaalsContact O-N 3.09Å; P128-Y131 HydrophobicContact CB-CD2 4.49Å; P128-Y131 HydrophobicContact CB-CE2 4.11Å; P128-Y131 HydrophobicContact CG-CE2 4.39Å; P128-Y131 PolarHBondContact O-N 3.09Å |
| 129 | A | 89.8 | Confident | 91.8 | Very high | 84 Ų | 84 | 73.9 Ų | 73.9 | 69% | 0.694 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -58.9 | -23 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | I127 | I127-A129 VanDerWaalsContact C-N 3.27Å; I127-A129 HydrophobicContact CG2-CB 4.25Å; I127-A129 PolarHBondContact O-N 3.12Å; I127-A129 VanDerWaalsContact O-N 3.15Å |
| 130 | Y | 92.3 | Very high | 91.8 | Very high | 113 Ų | 113 | 81.5 Ų | 81.5 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -107.4 | 6.2 | -175.2 | -55.2 | -48.9 | 0 | 0 | 0 | 114.2 | D124 I127 P128 K132 R133 C134 | D124-Y130 CarbonylContact O-C 3.29Å; D124-Y130 VanDerWaalsContact O-C 3.29Å; I127-Y130 HydrophobicContact CB-CD2 3.72Å; I127-Y130 HydrophobicContact CB-CE2 4.19Å; I127-Y130 HydrophobicContact CD1-CD2 4.05Å; I127-Y130 HydrophobicContact CD1-CE2 3.9Å; I127-Y130 HydrophobicContact CG1-CD2 4.46Å; I127-Y130 HydrophobicContact CG2-CD2 3.78Å; I127-Y130 HydrophobicContact CG2-CE2 3.89Å; I127-Y130 PolarHBondContact O-N 3.34Å; P128-Y130 PolarHBondContact O-N 2.97Å; P128-Y130 VanDerWaalsContact O-N 3.09Å; Y130-K132 PolarHBondContact O-N 3.36Å; Y130-K132 VanDerWaalsContact O-N 3.12Å; Y130-R133 WeakPolarHBondContact O-CA 3.35Å; Y130-R133 VanDerWaalsContact O-CB 3.3Å; Y130-R133 WeakPolarHBondContact O-CB 3.21Å; Y130-R133 PolarHBondContact O-N 3.46Å; Y130-C134 PolarHBondContact O-N 3.4Å; Y130-C134 VanDerWaalsContact O-N 3.08Å |
| 131 | Y | 91.3 | Very high | 91.7 | Very high | 30 Ų | 30 | 78.4 Ų | 78.4 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.6 | -30.7 | -177.7 | -73.2 | -5.5 | 0 | 0 | 0 | 114.2 | K94 F97 L98 I127 P128 R133 C134 A135 | K94-Y131 HydrophobicContact CB-CE2 4.03Å; K94-Y131 WeakPolarHBondContact CB-OH 3.44Å; K94-Y131 HydrophobicContact CD-CE1 4.08Å; K94-Y131 HydrophobicContact CG-CE1 4.07Å; K94-Y131 HydrophobicContact CG-CE2 4Å; F97-Y131 HydrophobicContact CB-CD2 4.35Å; L98-Y131 WeakPolarHBondContact CD2-O 3.43Å; I127-Y131 WeakPolarHBondContact O-CD1 3.31Å; P128-Y131 HydrophobicContact CB-CD2 4.49Å; P128-Y131 HydrophobicContact CB-CE2 4.11Å; P128-Y131 HydrophobicContact CG-CE2 4.39Å; P128-Y131 PolarHBondContact O-N 3.09Å; Y131-R133 VanDerWaalsContact C-N 3.25Å; Y131-R133 PolarHBondContact O-N 2.98Å; Y131-C134 PolarHBondContact O-N 3.26Å; Y131-A135 WeakPolarHBondContact O-CB 3.43Å; Y131-A135 PolarHBondContact O-N 3.23Å |
| 132 | K | 92.8 | Very high | 91.7 | Very high | 154 Ų | 154 | 73.7 Ų | 73.7 | 67% | 0.67 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.1 | -34.4 | 172.1 | -68.8 | -177.5 | -179.5 | 178.3 | 0 | 112.4 | L101 Y130 R136 | L101-K132 HydrophobicContact CD1-CG 4.36Å; Y130-K132 PolarHBondContact O-N 3.36Å; Y130-K132 VanDerWaalsContact O-N 3.12Å; K132-R136 WeakPolarHBondContact O-CG 3.42Å; K132-R136 PolarHBondContact O-N 3.03Å |
| 133 | R | 94.9 | Very high | 91.5 | Very high | 154 Ų | 154 | 76.1 Ų | 76.1 | 58% | 0.581 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -75.5 | -42.6 | 175.7 | -170.8 | -179.8 | -67.4 | -136.5 | 3.6 | 110.9 | D124 Y130 Y131 A135 R136 L137 | D124-R133 VanDerWaalsContact CG-CD 3.48Å; D124-R133 WeakPolarHBondContact OD1-CD 3.36Å; D124-R133 WeakPolarHBondContact OD2-CD 3.46Å; Y130-R133 WeakPolarHBondContact O-CA 3.35Å; Y130-R133 VanDerWaalsContact O-CB 3.3Å; Y130-R133 WeakPolarHBondContact O-CB 3.21Å; Y130-R133 PolarHBondContact O-N 3.46Å; Y131-R133 VanDerWaalsContact C-N 3.25Å; Y131-R133 PolarHBondContact O-N 2.98Å; R133-A135 PolarHBondContact O-N 3.15Å; R133-R136 WeakPolarHBondContact O-CB 3.48Å; R133-R136 PolarHBondContact O-N 3.09Å; R133-L137 WeakPolarHBondContact O-CG 3.35Å; R133-L137 PolarHBondContact O-N 3.18Å |
| 134 | C | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 172.5 | -179 | 0 | 0 | 0 | 0 | 112 | L98 D124 C125 Y130 Y131 R136 L137 L138 | L98-C134 HydrophobicContact CD2-CB 4.1Å; D124-C134 HydrophobicContact CB-CB 4.43Å; D124-C134 VanDerWaalsContact O-CB 3.31Å; D124-C134 WeakPolarHBondContact O-CB 3.4Å; C125-C134 VanDerWaalsContact CA-SG 3.5Å; C125-C134 HydrophobicContact CB-CB 3.93Å; C125-C134 WeakPolarHBondContact CB-SG 3.3Å; C125-C134 WeakPolarHBondContact SG-CB 3.49Å; C125-C134 CovalentContact SG-SG 2.03Å; C125-C134 PolarHBondContact SG-SG 3.07Å; Y130-C134 PolarHBondContact O-N 3.4Å; Y130-C134 VanDerWaalsContact O-N 3.08Å; Y131-C134 PolarHBondContact O-N 3.26Å; C134-R136 VanDerWaalsContact C-N 3.28Å; C134-R136 PolarHBondContact O-N 2.85Å; C134-L137 WeakPolarHBondContact O-CA 3.42Å; C134-L137 WeakPolarHBondContact O-CB 3.23Å; C134-L137 PolarHBondContact O-N 2.73Å; C134-L138 WeakPolarHBondContact O-CG 3.37Å; C134-L138 PolarHBondContact O-N 3.1Å |
| 135 | A | 94.5 | Very high | 90.9 | Very high | 8 Ų | 8 | 70.8 Ų | 70.8 | 7% | 0.066 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -53.6 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L98 L101 T102 Y131 R133 L137 L138 T139 | L98-A135 HydrophobicContact CD2-CB 4.06Å; L101-A135 HydrophobicContact CB-CB 3.94Å; L101-A135 HydrophobicContact CD1-CB 4.16Å; T102-A135 HydrophobicContact CG2-CB 3.59Å; Y131-A135 WeakPolarHBondContact O-CB 3.43Å; Y131-A135 PolarHBondContact O-N 3.23Å; R133-A135 PolarHBondContact O-N 3.15Å; A135-L137 PolarHBondContact O-N 2.97Å; A135-L138 PolarHBondContact O-N 3.43Å; A135-T139 PolarHBondContact O-N 3.5Å; A135-T139 PolarHBondContact O-OG1 3.43Å |
| 136 | R | 94.6 | Very high | 90.6 | Very high | 178 Ų | 178 | 75 Ų | 75 | 67% | 0.672 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 175.9 | -67.2 | 172.2 | -177.9 | -167.6 | -0.6 | 112.8 | K132 R133 C134 R140 | K132-R136 WeakPolarHBondContact O-CG 3.42Å; K132-R136 PolarHBondContact O-N 3.03Å; R133-R136 WeakPolarHBondContact O-CB 3.48Å; R133-R136 PolarHBondContact O-N 3.09Å; C134-R136 VanDerWaalsContact C-N 3.28Å; C134-R136 PolarHBondContact O-N 2.85Å; R136-R140 WeakPolarHBondContact O-CB 3.02Å; R136-R140 VanDerWaalsContact O-CG 3.3Å; R136-R140 WeakPolarHBondContact O-CG 3.39Å; R136-R140 PolarHBondContact O-N 3.29Å |
| 137 | L | 93.9 | Very high | 90.2 | Very high | 53 Ų | 53 | 72.1 Ų | 72.1 | 28% | 0.277 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 176.7 | -68.7 | 167.5 | 0 | 0 | 0 | 111.3 | L118 D124 R133 C134 A135 R140 L141 | L118-L137 HydrophobicContact CD1-CB 4.31Å; L118-L137 HydrophobicContact CD1-CD1 4.22Å; L118-L137 HydrophobicContact CD2-CB 3.97Å; D124-L137 HydrophobicContact CB-CD1 4.15Å; R133-L137 WeakPolarHBondContact O-CG 3.35Å; R133-L137 PolarHBondContact O-N 3.18Å; C134-L137 WeakPolarHBondContact O-CA 3.42Å; C134-L137 WeakPolarHBondContact O-CB 3.23Å; C134-L137 PolarHBondContact O-N 2.73Å; A135-L137 PolarHBondContact O-N 2.97Å; L137-R140 PolarHBondContact O-N 3.44Å; L137-L141 PolarHBondContact O-N 3.37Å |
| 138 | L | 92.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.1 | -66.5 | 174.1 | 0 | 0 | 0 | 111.8 | L98 L105 F115 L118 Y119 C134 A135 L141 A142 | L98-L138 HydrophobicContact CD1-CD1 4.13Å; L98-L138 HydrophobicContact CD2-CD1 4.44Å; L105-L138 HydrophobicContact CD1-CB 3.78Å; F115-L138 HydrophobicContact CD2-CD2 3.6Å; F115-L138 HydrophobicContact CE2-CD2 3.64Å; L118-L138 HydrophobicContact CD2-CD2 3.89Å; L118-L138 HydrophobicContact CG-CD2 4.29Å; Y119-L138 HydrophobicContact CD2-CD1 4.05Å; C134-L138 WeakPolarHBondContact O-CG 3.37Å; C134-L138 PolarHBondContact O-N 3.1Å; A135-L138 PolarHBondContact O-N 3.43Å; L138-L141 WeakPolarHBondContact O-CB 3.03Å; L138-L141 PolarHBondContact O-N 3.46Å; L138-A142 PolarHBondContact O-N 2.67Å |
| 139 | T | 93 | Very high | 88.6 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 34% | 0.344 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | A135 L141 A142 V143 | A135-T139 PolarHBondContact O-N 3.5Å; A135-T139 PolarHBondContact O-OG1 3.43Å; T139-L141 VanDerWaalsContact C-N 3.3Å; T139-L141 PolarHBondContact O-N 3.5Å; T139-A142 WeakPolarHBondContact O-CB 3.31Å; T139-A142 PolarHBondContact O-N 2.91Å; T139-A142 VanDerWaalsContact O-N 3.11Å; T139-V143 WeakPolarHBondContact O-CG2 3.46Å; T139-V143 PolarHBondContact O-N 2.9Å |
| 140 | R | 91.7 | Very high | 87.1 | Confident | 180 Ų | 180 | 75.3 Ų | 75.3 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.8 | -39.1 | 175.3 | -78.5 | 178.2 | -174.6 | -170.9 | 0.2 | 112.6 | R136 L137 A142 S144 | R136-R140 WeakPolarHBondContact O-CB 3.02Å; R136-R140 VanDerWaalsContact O-CG 3.3Å; R136-R140 WeakPolarHBondContact O-CG 3.39Å; R136-R140 PolarHBondContact O-N 3.29Å; L137-R140 PolarHBondContact O-N 3.44Å; R140-A142 VanDerWaalsContact C-N 3.32Å; R140-S144 PolarHBondContact O-N 3.29Å |
| 141 | L | 89.9 | Confident | 85.2 | Confident | 20 Ų | 20 | 79.1 Ų | 79.1 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.6 | -171.6 | 72.7 | 0 | 0 | 0 | 110.8 | F107 H114 F115 L118 L137 L138 T139 V143 S144 C147 | F107-L141 HydrophobicContact CD1-CD2 4.08Å; F107-L141 HydrophobicContact CD1-CG 4.31Å; F107-L141 HydrophobicContact CE1-CB 4.04Å; F107-L141 HydrophobicContact CE1-CD2 3.79Å; F107-L141 HydrophobicContact CE1-CG 4Å; H114-L141 HydrophobicContact CB-CD1 4.32Å; H114-L141 HydrophobicContact CB-CD2 4.49Å; H114-L141 WeakPolarHBondContact CD2-CD1 3.26Å; F115-L141 HydrophobicContact CB-CD2 3.81Å; L118-L141 HydrophobicContact CD2-CD2 4.38Å; L137-L141 PolarHBondContact O-N 3.37Å; L138-L141 WeakPolarHBondContact O-CB 3.03Å; L138-L141 PolarHBondContact O-N 3.46Å; T139-L141 VanDerWaalsContact C-N 3.3Å; T139-L141 PolarHBondContact O-N 3.5Å; L141-V143 PolarHBondContact O-N 3.47Å; L141-S144 WeakPolarHBondContact O-CB 3.46Å; L141-S144 PolarHBondContact O-N 3.03Å; L141-C147 WeakPolarHBondContact O-CB 3.41Å; L141-C147 PolarHBondContact O-SG 3.32Å |
| 142 | A | 89.3 | Confident | 83.1 | Confident | 21 Ų | 21 | 89.3 Ų | 89.3 | 17% | 0.174 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.3 | -35.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L105 F107 L138 T139 R140 | L105-A142 HydrophobicContact CD2-CB 4.03Å; F107-A142 HydrophobicContact CD1-CB 4.32Å; F107-A142 HydrophobicContact CE1-CB 3.68Å; F107-A142 HydrophobicContact CZ-CB 4.19Å; L138-A142 PolarHBondContact O-N 2.67Å; T139-A142 WeakPolarHBondContact O-CB 3.31Å; T139-A142 PolarHBondContact O-N 2.91Å; T139-A142 VanDerWaalsContact O-N 3.11Å; R140-A142 VanDerWaalsContact C-N 3.32Å |
| 143 | V | 88.9 | Confident | 82.6 | Confident | 94 Ų | 94 | 86.1 Ų | 86.1 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.6 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | T139 L141 | T139-V143 WeakPolarHBondContact O-CG2 3.46Å; T139-V143 PolarHBondContact O-N 2.9Å; L141-V143 PolarHBondContact O-N 3.47Å |
| 144 | S | 88.1 | Confident | 82 | Confident | 35 Ų | 35 | 82.5 Ų | 82.5 | 25% | 0.245 | 41% | 0.408 | C | S | . | . | trans | -68 | 136.2 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | R140 L141 V146 C147 M148 | R140-S144 PolarHBondContact O-N 3.29Å; L141-S144 WeakPolarHBondContact O-CB 3.46Å; L141-S144 PolarHBondContact O-N 3.03Å; S144-V146 PolarHBondContact O-N 2.74Å; S144-C147 WeakPolarHBondContact O-CA 3.4Å; S144-C147 PolarHBondContact O-N 3.49Å; S144-M148 WeakPolarHBondContact O-CG 3.41Å; S144-M148 PolarHBondContact O-N 2.74Å | ||
| 145 | P | 83.3 | Confident | 81.4 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -54.4 | -40.5 | 179.4 | 20.7 | -32.1 | 0 | 0 | 0 | 111.7 | C147 M148 E149 | P145-C147 PolarHBondContact O-N 2.84Å; P145-C147 VanDerWaalsContact O-N 3.08Å; P145-M148 PolarHBondContact O-N 3.13Å; P145-M148 VanDerWaalsContact O-N 3.12Å; P145-E149 VanDerWaalsContact O-CG 3.26Å; P145-E149 WeakPolarHBondContact O-CG 3.26Å; P145-E149 PolarHBondContact O-N 2.86Å |
| 146 | V | 82.1 | Confident | 80.6 | Confident | 88 Ų | 88 | 91.8 Ų | 91.8 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.7 | -27.6 | 176.8 | -174.4 | 0 | 0 | 0 | 0 | 113.2 | S144 | S144-V146 PolarHBondContact O-N 2.74Å |
| 147 | C | 80.6 | Confident | 79.7 | Confident | 11 Ų | 11 | 86.4 Ų | 86.4 | 7% | 0.074 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -101.2 | -13.9 | -177.2 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | S108 C111 L141 S144 P145 | S108-C147 WeakPolarHBondContact CB-O 3.26Å; C111-C147 HydrophobicContact CB-CB 3.62Å; C111-C147 WeakPolarHBondContact CB-SG 3.14Å; C111-C147 WeakPolarHBondContact SG-CA 3.43Å; C111-C147 WeakPolarHBondContact SG-CB 3.19Å; C111-C147 CovalentContact SG-SG 2.02Å; C111-C147 PolarHBondContact SG-SG 3.36Å; L141-C147 WeakPolarHBondContact O-CB 3.41Å; L141-C147 PolarHBondContact O-SG 3.32Å; S144-C147 WeakPolarHBondContact O-CA 3.4Å; S144-C147 PolarHBondContact O-N 3.49Å; P145-C147 PolarHBondContact O-N 2.84Å; P145-C147 VanDerWaalsContact O-N 3.08Å |
| 148 | M | 76.9 | Confident | 78.8 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 51% | 0.512 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -87.4 | -19 | 176.1 | -69.5 | -171.5 | 66.7 | 0 | 0 | 112.8 | S144 P145 D150 K151 | S144-M148 WeakPolarHBondContact O-CG 3.41Å; S144-M148 PolarHBondContact O-N 2.74Å; P145-M148 PolarHBondContact O-N 3.13Å; P145-M148 VanDerWaalsContact O-N 3.12Å; M148-D150 PolarHBondContact O-N 2.78Å; M148-K151 PolarHBondContact O-N 2.79Å |
| 149 | E | 66.9 | Low | 77.8 | Confident | 133 Ų | 133 | 94.6 Ų | 94.6 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 3.7 | -173.8 | -79.1 | 172.6 | 165.8 | 0 | 0 | 116 | P145 | P145-E149 VanDerWaalsContact O-CG 3.26Å; P145-E149 WeakPolarHBondContact O-CG 3.26Å; P145-E149 PolarHBondContact O-N 2.86Å |
| 150 | D | 57.8 | Low | 76.6 | Confident | 55 Ų | 55 | 97.6 Ų | 97.6 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 40.3 | 172.4 | -50.4 | -76.3 | 0 | 0 | 0 | 112.7 | S108 K110 M148 Q152 | S108-D150 WeakPolarHBondContact OG-CB 3.14Å; S108-D150 VanDerWaalsContact OG-CG 3.27Å; S108-D150 PolarHBondContact OG-OD2 2.77Å; K110-D150 WeakPolarHBondContact CD-OD2 3.4Å; K110-D150 WeakPolarHBondContact CE-OD1 3.28Å; K110-D150 WeakPolarHBondContact CE-OD2 3.18Å; K110-D150 WeakPolarHBondContact CG-OD2 3.49Å; K110-D150 IonicContact NZ-OD1 3.36Å; K110-D150 PolarHBondContact NZ-OD1 3.33Å; K110-D150 IonicContact NZ-OD2 3.92Å; K110-D150 PolarHBondContact NZ-OD2 3.14Å; M148-D150 PolarHBondContact O-N 2.78Å; D150-Q152 PolarHBondContact O-N 2.78Å |
| 151 | K | 54 | Low | 75.3 | Confident | 193 Ų | 193 | 90.8 Ų | 90.8 | 84% | 0.839 | 48% | 0.475 | S | S | * | . | trans | -85.1 | 55 | 153.7 | -78.5 | -167.2 | 176.4 | -175.4 | 0 | 110 | M148 | M148-K151 PolarHBondContact O-N 2.79Š| ||
| 152 | Q | 46.5 | Very low | 74 | Confident | 245 Ų | 245 | 97.2 Ų | 97.2 | 100% | 1.145 | 51% | 0.508 | S | S | * | . | trans | -105 | 0 | 169.9 | -162.8 | 73.8 | 44.5 | 0 | 0 | 109.2 | D150 | D150-Q152 PolarHBondContact O-N 2.78Š|
Retrieved 152 of 152 residues in 165.3 ms
(Link to these results)