| 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 | 57.3 | Low | 73.4 | Confident | 206 Ų | 206 | 130.4 Ų | 130.4 | 100% | 1.015 | 64% | 0.644 | S | S | * | * | 0 | -40.1 | 0 | -62 | -52.6 | -123.5 | 0 | 0 | 113.5 | |||||
| 2 | A | 68.9 | Low | 73.3 | Confident | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.8 | -35 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | L4 R6 | A2-L4 PolarHBondContact O-N 2.84Å; A2-R6 PolarHBondContact O-N 3.4Å |
| 3 | E | 73.4 | Confident | 73.1 | Confident | 166 Ų | 166 | 124.5 Ų | 124.5 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.8 | -37.4 | 180 | -119.5 | -160.4 | 171 | 0 | 0 | 113.4 | N5 R6 S7 | E3-N5 VanDerWaalsContact C-N 3.34Å; E3-N5 PolarHBondContact O-N 2.73Å; E3-R6 WeakPolarHBondContact O-CB 3.09Å; E3-R6 PolarHBondContact O-N 3.47Å; E3-R6 VanDerWaalsContact O-N 3.12Å; E3-S7 PolarHBondContact O-N 3.12Å; E3-S7 PolarHBondContact O-OG 3.36Å |
| 4 | L | 75.1 | Confident | 72.6 | Confident | 124 Ų | 124 | 126.8 Ų | 126.8 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.8 | -38.1 | -177 | -157.4 | 80.7 | 0 | 0 | 0 | 112.1 | A2 R6 S7 L8 | A2-L4 PolarHBondContact O-N 2.84Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-S7 WeakPolarHBondContact CA-OG 3.32Å; L4-S7 PolarHBondContact O-OG 3.41Å; L4-L8 PolarHBondContact O-N 3.15Å; L4-L8 VanDerWaalsContact O-N 3.12Å |
| 5 | N | 78.2 | Confident | 71.6 | Confident | 109 Ų | 109 | 124.7 Ų | 124.7 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68 | -36.4 | 174.7 | -94.5 | -54.3 | 0 | 0 | 0 | 111.5 | E3 L8 Q9 | E3-N5 VanDerWaalsContact C-N 3.34Å; E3-N5 PolarHBondContact O-N 2.73Å; N5-L8 PolarHBondContact O-N 2.75Å; N5-Q9 WeakPolarHBondContact O-CG 3.48Å; N5-Q9 PolarHBondContact O-N 2.91Å |
| 6 | R | 80.1 | Confident | 70.9 | Confident | 170 Ų | 170 | 129.1 Ų | 129.1 | 64% | 0.642 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.9 | -44.4 | 176.9 | -171.9 | -176.6 | 145.8 | 170.1 | -9 | 111.4 | A2 E3 L4 L8 Q9 E10 | A2-R6 PolarHBondContact O-N 3.4Å; E3-R6 WeakPolarHBondContact O-CB 3.09Å; E3-R6 PolarHBondContact O-N 3.47Å; E3-R6 VanDerWaalsContact O-N 3.12Å; L4-R6 VanDerWaalsContact C-N 3.33Å; R6-L8 VanDerWaalsContact C-N 3.29Å; R6-L8 PolarHBondContact O-N 3.25Å; R6-Q9 PolarHBondContact O-N 3.41Å; R6-E10 IonicContact CZ-OE1 3.57Å; R6-E10 IonicContact NE-OE1 2.98Å; R6-E10 PolarHBondContact NE-OE1 3.24Å; R6-E10 IonicContact NH2-OE1 3.25Å; R6-E10 PolarHBondContact NH2-OE1 3.3Å; R6-E10 PolarHBondContact O-N 3.34Å |
| 7 | S | 75.5 | Confident | 69.9 | Low | 49 Ų | 49 | 125.7 Ų | 125.7 | 34% | 0.343 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -61.8 | -36.3 | 174.6 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | E3 L4 Y11 | E3-S7 PolarHBondContact O-N 3.12Å; E3-S7 PolarHBondContact O-OG 3.36Å; L4-S7 WeakPolarHBondContact CA-OG 3.32Å; L4-S7 PolarHBondContact O-OG 3.41Å; S7-Y11 WeakPolarHBondContact O-CB 3.5Å; S7-Y11 WeakPolarHBondContact O-CD2 3.48Å; S7-Y11 PolarHBondContact O-N 3.39Å |
| 8 | L | 77.1 | Confident | 68.6 | Low | 99 Ų | 99 | 121.7 Ų | 121.7 | 52% | 0.518 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.1 | -38.1 | 177.8 | -111 | 169.7 | 0 | 0 | 0 | 112.5 | L4 N5 R6 Y11 L12 | L4-L8 PolarHBondContact O-N 3.15Å; L4-L8 VanDerWaalsContact O-N 3.12Å; N5-L8 PolarHBondContact O-N 2.75Å; R6-L8 VanDerWaalsContact C-N 3.29Å; R6-L8 PolarHBondContact O-N 3.25Å; L8-Y11 PolarHBondContact O-N 3.43Å; L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 2.82Å |
| 9 | Q | 77.1 | Confident | 67.3 | Low | 141 Ų | 141 | 120.6 Ų | 120.6 | 66% | 0.659 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.4 | -36.1 | 177.2 | -70.4 | -156.9 | -13.4 | 0 | 0 | 112.6 | N5 R6 Y11 L12 A13 | N5-Q9 WeakPolarHBondContact O-CG 3.48Å; N5-Q9 PolarHBondContact O-N 2.91Å; R6-Q9 PolarHBondContact O-N 3.41Å; Q9-Y11 VanDerWaalsContact C-N 3.32Å; Q9-L12 PolarHBondContact O-N 3.32Å; Q9-A13 VanDerWaalsContact O-CB 3.3Å; Q9-A13 WeakPolarHBondContact O-CB 3.24Å; Q9-A13 PolarHBondContact O-N 3.09Å |
| 10 | E | 76.3 | Confident | 65.9 | Low | 99 Ų | 99 | 124.2 Ų | 124.2 | 46% | 0.463 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -61 | -42.1 | 169.8 | -76.5 | 171 | -176.1 | 0 | 0 | 110.5 | R6 A13 Q14 | R6-E10 IonicContact CZ-OE1 3.57Å; R6-E10 IonicContact NE-OE1 2.98Å; R6-E10 PolarHBondContact NE-OE1 3.24Å; R6-E10 IonicContact NH2-OE1 3.25Å; R6-E10 PolarHBondContact NH2-OE1 3.3Å; R6-E10 PolarHBondContact O-N 3.34Å; E10-A13 PolarHBondContact O-N 2.96Å; E10-Q14 VanDerWaalsContact O-CB 3.25Å; E10-Q14 WeakPolarHBondContact O-CB 3.36Å; E10-Q14 PolarHBondContact O-N 3Å |
| 11 | Y | 68.1 | Low | 64.2 | Low | 184 Ų | 184 | 124 Ų | 124 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.3 | -41.5 | 174.4 | -103 | -93.7 | 0 | 0 | 0 | 113.8 | S7 L8 Q9 S15 | S7-Y11 WeakPolarHBondContact O-CB 3.5Å; S7-Y11 WeakPolarHBondContact O-CD2 3.48Å; S7-Y11 PolarHBondContact O-N 3.39Å; L8-Y11 PolarHBondContact O-N 3.43Å; Q9-Y11 VanDerWaalsContact C-N 3.32Å; Y11-S15 WeakPolarHBondContact O-CB 3.46Å; Y11-S15 PolarHBondContact O-N 2.92Å |
| 12 | L | 72.8 | Confident | 63.1 | Low | 116 Ų | 116 | 121.9 Ų | 121.9 | 61% | 0.607 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.9 | -36.3 | 177.7 | -74.8 | 172.2 | 0 | 0 | 0 | 112.2 | L8 Q9 S15 K16 | L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 2.82Å; Q9-L12 PolarHBondContact O-N 3.32Å; L12-S15 PolarHBondContact O-N 2.89Å; L12-K16 WeakPolarHBondContact O-CB 3.37Å; L12-K16 PolarHBondContact O-N 2.85Å |
| 13 | A | 70.6 | Confident | 61.6 | Low | 68 Ų | 68 | 122.9 Ų | 122.9 | 56% | 0.562 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q9 E10 K16 G17 | Q9-A13 VanDerWaalsContact O-CB 3.3Å; Q9-A13 WeakPolarHBondContact O-CB 3.24Å; Q9-A13 PolarHBondContact O-N 3.09Å; E10-A13 PolarHBondContact O-N 2.96Å; A13-K16 PolarHBondContact O-N 3.47Å; A13-G17 PolarHBondContact O-N 3.43Å |
| 14 | Q | 66 | Low | 59.6 | Low | 157 Ų | 157 | 124.3 Ų | 124.3 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.1 | -33.9 | 177 | -164.3 | 155.9 | -32.3 | 0 | 0 | 112.2 | E10 G18 | E10-Q14 VanDerWaalsContact O-CB 3.25Å; E10-Q14 WeakPolarHBondContact O-CB 3.36Å; E10-Q14 PolarHBondContact O-N 3Å; Q14-G18 PolarHBondContact O-N 2.9Å |
| 15 | S | 58.3 | Low | 57.6 | Low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.3 | -38.9 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | Y11 L12 | Y11-S15 WeakPolarHBondContact O-CB 3.46Å; Y11-S15 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-N 2.89Å |
| 16 | K | 59.3 | Low | 55.3 | Low | 195 Ų | 195 | 124 Ų | 124 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -78 | -22.9 | -178.6 | -158.3 | 172.6 | -173.9 | -169.8 | 0 | 113.8 | L12 A13 | L12-K16 WeakPolarHBondContact O-CB 3.37Å; L12-K16 PolarHBondContact O-N 2.85Å; A13-K16 PolarHBondContact O-N 3.47Å |
| 17 | G | 53.8 | Low | 53.1 | Low | 72 Ų | 72 | 121.1 Ų | 121.1 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -96.9 | -8.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A13 | A13-G17 PolarHBondContact O-N 3.43Å |
| 18 | G | 46.6 | Very low | 50.9 | Low | 53 Ų | 53 | 124 Ų | 124 | 55% | 0.546 | 72% | 0.719 | S | S | . | * | trans | -101.1 | 17.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q14 K20 | Q14-G18 PolarHBondContact O-N 2.9Å; G18-K20 PolarHBondContact O-N 3.33Å | ||
| 19 | A | 44.4 | Very low | 49 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | -80.7 | 54.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 20 | K | 38.4 | Very low | 46.8 | Very low | 193 Ų | 193 | 125.3 Ų | 125.3 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -155.9 | 115 | 158.4 | -101.4 | 176.5 | -169.7 | 176.5 | 0 | 108.8 | G18 | G18-K20 PolarHBondContact O-N 3.33Š|
| 21 | T | 31.8 | Very low | 44.9 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 97.2 | 98.6 | 155 | -30 | 0 | 0 | 0 | 0 | 118.2 | ||
| 22 | I | 33.3 | Very low | 43.4 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | 72.9 | 129.2 | 135.8 | -57.5 | 171.8 | 0 | 0 | 0 | 120.4 | ||||
| 23 | S | 36.9 | Very low | 41.7 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -69.8 | 158.7 | -172.1 | -42.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 24 | Q | 32.5 | Very low | 40.3 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | 171.1 | 151.5 | 133.9 | -97.7 | 179.5 | -14.6 | 0 | 0 | 108.5 | ||||
| 25 | S | 32.5 | Very low | 38.8 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | 179.6 | 144.2 | -24.6 | -172.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 26 | S | 30.4 | Very low | 37.7 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -167.6 | 125.8 | 165.8 | -68.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 27 | S | 33.4 | Very low | 36.6 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -162.4 | 139 | 3.6 | -70.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 28 | S | 30 | Very low | 35.9 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -176.5 | 145.3 | 139.9 | 52.5 | 0 | 0 | 0 | 0 | 110.3 | T30 | S28-T30 PolarHBondContact O-N 2.82Š| ||
| 29 | T | 36.2 | Very low | 35.9 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | trans | -53.6 | 108 | -173.6 | -38.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 30 | T | 30.9 | Very low | 36.2 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -104 | 109.1 | 169.3 | -41.1 | 0 | 0 | 0 | 0 | 108.1 | S28 D32 | S28-T30 PolarHBondContact O-N 2.82Å; T30-D32 PolarHBondContact O-N 2.91Å | ||
| 31 | I | 36.9 | Very low | 36.4 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -64.9 | 120.7 | 163.6 | -62.6 | 173.6 | 0 | 0 | 0 | 106.1 | I33 | I31-I33 HydrophobicContact CG2-CG1 4.32Å; I31-I33 PolarHBondContact O-N 3.45Å | ||
| 32 | D | 36.3 | Very low | 37.1 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -54.8 | 100.4 | 167 | -112.2 | -66.1 | 0 | 0 | 0 | 108.8 | T30 | T30-D32 PolarHBondContact O-N 2.91Š| ||
| 33 | I | 37.6 | Very low | 37.5 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -104 | 91.3 | 159.7 | -60.9 | 176.5 | 0 | 0 | 0 | 105.2 | I31 S35 | I31-I33 HydrophobicContact CG2-CG1 4.32Å; I31-I33 PolarHBondContact O-N 3.45Å; I33-S35 VanDerWaalsContact C-N 3.35Å; I33-S35 PolarHBondContact O-N 3.29Å; I33-S35 PolarHBondContact O-OG 3.01Å | ||
| 34 | E | 40.5 | Very low | 37.7 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -33.4 | 102.4 | 151.2 | 177.2 | 81.4 | -72.7 | 0 | 0 | 108.5 | ||||
| 35 | S | 35.4 | Very low | 38.6 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | -127.1 | 79.9 | 169.5 | 26.2 | 0 | 0 | 0 | 0 | 105.7 | I33 S37 | I33-S35 VanDerWaalsContact C-N 3.35Å; I33-S35 PolarHBondContact O-N 3.29Å; I33-S35 PolarHBondContact O-OG 3.01Å; S35-S37 PolarHBondContact O-N 3.47Å | ||
| 36 | T | 33.7 | Very low | 39.2 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -20.4 | 106.4 | 154.9 | -5.8 | 0 | 0 | 0 | 0 | 109.2 | V38 | T36-V38 VanDerWaalsContact C-N 3.33Å; T36-V38 PolarHBondContact O-N 2.96Å | ||
| 37 | S | 37.6 | Very low | 40.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -63.4 | 97.8 | 178.9 | 55.3 | 0 | 0 | 0 | 0 | 107.7 | S35 A39 | S35-S37 PolarHBondContact O-N 3.47Å; S37-A39 PolarHBondContact O-N 3.34Å; S37-A39 VanDerWaalsContact O-N 3.07Å | ||
| 38 | V | 37.6 | Very low | 40.6 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -66.6 | 111.6 | 168.3 | -165 | 0 | 0 | 0 | 0 | 105.9 | T36 G40 | T36-V38 VanDerWaalsContact C-N 3.33Å; T36-V38 PolarHBondContact O-N 2.96Å; V38-G40 PolarHBondContact O-N 2.94Å | ||
| 39 | A | 46.7 | Very low | 41.3 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 111.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S37 | S37-A39 PolarHBondContact O-N 3.34Å; S37-A39 VanDerWaalsContact O-N 3.07Å |
| 40 | G | 50.7 | Low | 41.9 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.4 | 4.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | V38 | V38-G40 PolarHBondContact O-N 2.94Š|
| 41 | S | 43.1 | Very low | 42.4 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | -88.8 | 112.9 | 177 | -175.6 | 0 | 0 | 0 | 0 | 112.7 | F43 | S41-F43 PolarHBondContact O-N 3.28Å; S41-F43 VanDerWaalsContact O-N 3.15Å; S41-F43 PolarHBondContact OG-N 3.05Å | ||
| 42 | W | 47 | Very low | 42.8 | Very low | 245 Ų | 245 | 125.8 Ų | 125.8 | 93% | 0.928 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -60.7 | -16.6 | 172.6 | -147.4 | -18.7 | 0 | 0 | 0 | 113 | ||
| 43 | F | 41.9 | Very low | 42.6 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -79.9 | -21 | -172.4 | -140.9 | -94.1 | 0 | 0 | 0 | 113.9 | S41 S45 | S41-F43 PolarHBondContact O-N 3.28Å; S41-F43 VanDerWaalsContact O-N 3.15Å; S41-F43 PolarHBondContact OG-N 3.05Å; F43-S45 VanDerWaalsContact C-N 3.33Å |
| 44 | G | 41.8 | Very low | 42.8 | Very low | 44 Ų | 44 | 123.4 Ų | 123.4 | 45% | 0.454 | 75% | 0.75 | S | S | . | * | G | 310 helix | trans | -75 | -21.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | W46 | G44-W46 VanDerWaalsContact C-N 3.31Š|
| 45 | S | 51 | Low | 42.6 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -76.8 | -18.6 | 177.8 | -169.7 | 0 | 0 | 0 | 0 | 113.1 | F43 | F43-S45 VanDerWaalsContact C-N 3.33Š|
| 46 | W | 44.6 | Very low | 42.5 | Very low | 229 Ų | 229 | 127.9 Ų | 127.9 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -34.9 | -179.4 | -171.8 | -53.3 | 0 | 0 | 0 | 111.5 | G44 | G44-W46 VanDerWaalsContact C-N 3.31Š|
| 47 | S | 48.3 | Very low | 42.3 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -99.1 | 9.7 | -165.2 | 53.4 | 0 | 0 | 0 | 0 | 116.1 | P49 | S47-P49 WeakPolarHBondContact O-CD 3.22Š|
| 48 | S | 44.6 | Very low | 42 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -81 | 120.5 | 175 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | F50 | S48-F50 PolarHBondContact O-N 3.38Š| ||
| 49 | P | 44.9 | Very low | 41.6 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -72.5 | 126 | 177.1 | 29.8 | -31.6 | 0 | 0 | 0 | 110 | S47 S51 | S47-P49 WeakPolarHBondContact O-CD 3.22Å; P49-S51 PolarHBondContact O-N 3.16Å | ||
| 50 | F | 48.5 | Very low | 41.2 | Very low | 206 Ų | 206 | 123.8 Ų | 123.8 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -54.2 | 99.9 | 176.7 | 177.7 | -101.6 | 0 | 0 | 0 | 111.2 | S48 | S48-F50 PolarHBondContact O-N 3.38Š| ||
| 51 | S | 41 | Very low | 40.3 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -117.6 | 108.9 | 165.4 | 48.1 | 0 | 0 | 0 | 0 | 108.1 | P49 | P49-S51 PolarHBondContact O-N 3.16Š| ||
| 52 | G | 45.8 | Very low | 40 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -69.1 | 131.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 53 | S | 32 | Very low | 39.4 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -130.2 | 107.8 | 160.8 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 54 | S | 41.5 | Very low | 38.9 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -94.2 | 128.2 | 176.4 | 35 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 55 | S | 36.6 | Very low | 38.8 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -166.5 | 140 | 155.3 | 59.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 56 | R | 32.8 | Very low | 38 | Very low | 248 Ų | 248 | 122.4 Ų | 122.4 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | cis | -169.9 | 145.1 | 1.2 | -125.4 | 174.7 | 163.2 | -157.7 | -3.8 | 107.7 | ||||
| 57 | G | 31.5 | Very low | 38.1 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | 92.7 | 128.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 58 | G | 29.9 | Very low | 37.5 | Very low | 83 Ų | 83 | 114.7 Ų | 114.7 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | cis | 167.5 | 138.5 | 1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 59 | G | 29.7 | Very low | 37.4 | Very low | 85 Ų | 85 | 120 Ų | 120 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | 140.3 | 111.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 60 | S | 37.2 | Very low | 37.1 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -93.7 | 123.2 | -161.1 | 48.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 61 | T | 32.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -156.1 | 129.9 | 139.4 | -33.8 | 0 | 0 | 0 | 0 | 107.5 | Q63 | T61-Q63 PolarHBondContact O-N 3.45Š|
| 62 | G | 38.4 | Very low | 37.1 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | trans | -51 | 108.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 63 | Q | 33.3 | Very low | 37 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -119.1 | 111.4 | 168.7 | -66.5 | -176.8 | 32.7 | 0 | 0 | 107.8 | T61 L65 | T61-Q63 PolarHBondContact O-N 3.45Å; Q63-L65 VanDerWaalsContact C-N 3.29Å; Q63-L65 PolarHBondContact O-N 3.3Å | ||
| 64 | G | 31.6 | Very low | 37.5 | Very low | 89 Ų | 89 | 120.6 Ų | 120.6 | 92% | 0.918 | 77% | 0.77 | S | S | * | * | trans | -65.7 | 93.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | G66 | G64-G66 VanDerWaalsContact C-N 3.3Å; G64-G66 PolarHBondContact O-N 3.08Å | ||
| 65 | L | 38.5 | Very low | 37.8 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -75.2 | 78.1 | -176.4 | -166.5 | 77 | 0 | 0 | 0 | 110.4 | Q63 S67 | Q63-L65 VanDerWaalsContact C-N 3.29Å; Q63-L65 PolarHBondContact O-N 3.3Å; L65-S67 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 3.02Å | ||
| 66 | G | 35.3 | Very low | 38.3 | Very low | 72 Ų | 72 | 121.4 Ų | 121.4 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -84.4 | 82.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | G64 G68 | G64-G66 VanDerWaalsContact C-N 3.3Å; G64-G66 PolarHBondContact O-N 3.08Å; G66-G68 PolarHBondContact O-N 3.47Å | ||
| 67 | S | 47 | Very low | 38.7 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -68.3 | 75.5 | 160.1 | -173.6 | 0 | 0 | 0 | 0 | 106.9 | L65 Y69 | L65-S67 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 3.02Å; S67-Y69 PolarHBondContact O-N 3.36Å | ||
| 68 | G | 35.7 | Very low | 39.2 | Very low | 45 Ų | 45 | 116.1 Ų | 116.1 | 46% | 0.464 | 73% | 0.73 | S | S | . | * | trans | -76.7 | 116.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | G66 S70 | G66-G68 PolarHBondContact O-N 3.47Å; G68-S70 PolarHBondContact O-N 3.47Å | ||
| 69 | Y | 42.2 | Very low | 40 | Very low | 206 Ų | 206 | 117.6 Ų | 117.6 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | trans | -13 | 93.5 | 153.7 | -11 | -86.5 | 0 | 0 | 0 | 112.3 | S67 W71 | S67-Y69 PolarHBondContact O-N 3.36Å; Y69-W71 PolarHBondContact O-N 3.11Å; Y69-W71 VanDerWaalsContact O-N 3.09Å | ||
| 70 | S | 39.6 | Very low | 40.6 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | -80.6 | 94.5 | 177.1 | 60.2 | 0 | 0 | 0 | 0 | 107.9 | G68 | G68-S70 PolarHBondContact O-N 3.47Š| ||
| 71 | W | 40.2 | Very low | 40.8 | Very low | 187 Ų | 187 | 119.7 Ų | 119.7 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | trans | -54.2 | 152.7 | 164.4 | -75.9 | 83.9 | 0 | 0 | 0 | 109.5 | Y69 W73 S74 | Y69-W71 PolarHBondContact O-N 3.11Å; Y69-W71 VanDerWaalsContact O-N 3.09Å; W71-W73 PolarHBondContact O-N 2.97Å; W71-S74 PolarHBondContact N-OG 2.86Å; W71-S74 WeakPolarHBondContact O-CB 3.3Å; W71-S74 PolarHBondContact O-N 2.78Å | ||
| 72 | P | 47.8 | Very low | 41.3 | Very low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -5.7 | 178.4 | 21.4 | -31.3 | 0 | 0 | 0 | 114.4 | ||
| 73 | W | 44.8 | Very low | 41.5 | Very low | 160 Ų | 160 | 119 Ų | 119 | 61% | 0.606 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -3.9 | 173.4 | -54.7 | 103.5 | 0 | 0 | 0 | 113.8 | W71 T75 L139 | W71-W73 PolarHBondContact O-N 2.97Å; W73-T75 PolarHBondContact O-N 2.99Å; W73-L139 HydrophobicContact CH2-CD2 4.14Å; W73-L139 HydrophobicContact CH2-CG 4.1Å; W73-L139 HydrophobicContact CZ3-CD2 4.37Å; W73-L139 HydrophobicContact CZ3-CG 3.86Å; W73-L139 WeakPolarHBondContact CZ3-O 3.19Å |
| 74 | S | 42.4 | Very low | 41.9 | Very low | 66 Ų | 66 | 116 Ų | 116 | 46% | 0.462 | 70% | 0.695 | S | S | . | * | trans | -81.5 | 95.2 | 175.6 | -67.2 | 0 | 0 | 0 | 0 | 109.1 | W71 | W71-S74 PolarHBondContact N-OG 2.86Å; W71-S74 WeakPolarHBondContact O-CB 3.3Å; W71-S74 PolarHBondContact O-N 2.78Å | ||
| 75 | T | 47.8 | Very low | 42.9 | Very low | 83 Ų | 83 | 114.8 Ų | 114.8 | 51% | 0.509 | 67% | 0.672 | S | S | . | * | trans | -88.2 | 115 | 169.9 | -36.5 | 0 | 0 | 0 | 0 | 108.2 | W73 | W73-T75 PolarHBondContact O-N 2.99Š| ||
| 76 | E | 46.4 | Very low | 43.5 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -43 | 136.2 | 166.6 | -161.5 | 88.5 | 111.3 | 0 | 0 | 109.7 | D78 | E76-D78 PolarHBondContact O-N 3.5Š| ||
| 77 | P | 41.3 | Very low | 44.2 | Very low | 101 Ų | 101 | 117 Ų | 117 | 66% | 0.656 | 66% | 0.659 | S | S | * | * | trans | -69.3 | 96.5 | 176.3 | 26.8 | -31.1 | 0 | 0 | 0 | 109.8 | ||||
| 78 | D | 42.8 | Very low | 44.7 | Very low | 124 Ų | 124 | 116.8 Ų | 116.8 | 66% | 0.663 | 65% | 0.646 | S | S | * | * | trans | -73.4 | 138.7 | 177.9 | -95 | -32.4 | 0 | 0 | 0 | 112.1 | E76 C80 | E76-D78 PolarHBondContact O-N 3.5Å; D78-C80 PolarHBondContact O-N 3Å | ||
| 79 | P | 46.7 | Very low | 46 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 75% | 0.747 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 8 | -161.1 | -7.2 | 28.6 | 0 | 0 | 0 | 115.1 | ||
| 80 | C | 41.9 | Very low | 47.1 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 75% | 0.75 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 4.5 | -162.5 | -54.8 | 0 | 0 | 0 | 0 | 114.9 | D78 | D78-C80 PolarHBondContact O-N 3Š|
| 81 | L | 40.6 | Very low | 48.3 | Very low | 134 Ų | 134 | 113.5 Ų | 113.5 | 70% | 0.702 | 62% | 0.621 | S | S | * | * | trans | -136.6 | 87.9 | 174.5 | -82.7 | 167 | 0 | 0 | 0 | 110.6 | G83 | L81-G83 VanDerWaalsContact C-N 3.32Å; L81-G83 PolarHBondContact O-N 2.97Å | ||
| 82 | P | 43.6 | Very low | 49.4 | Very low | 137 Ų | 137 | 106.7 Ų | 106.7 | 89% | 0.89 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -74.1 | 87.9 | 168.3 | 31.2 | -29.1 | 0 | 0 | 0 | 107.9 | ||
| 83 | G | 41.8 | Very low | 50.3 | Low | 69 Ų | 69 | 103.2 Ų | 103.2 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 159.2 | -22.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | L81 S85 | L81-G83 VanDerWaalsContact C-N 3.32Å; L81-G83 PolarHBondContact O-N 2.97Å; G83-S85 PolarHBondContact O-N 3.49Å |
| 84 | M | 42.1 | Very low | 51.6 | Low | 100 Ų | 100 | 97.2 Ų | 97.2 | 49% | 0.493 | 57% | 0.565 | S | S | . | * | trans | -92.3 | 90.6 | -178.5 | -153.1 | -151.5 | -167 | 0 | 0 | 111.1 | Q88 | M84-Q88 HydrophobicContact CE-CB 4.18Å; M84-Q88 HydrophobicContact CE-CG 3.65Å; M84-Q88 HydrophobicContact CG-CB 4.27Å; M84-Q88 HydrophobicContact CG-CG 4.43Å | ||
| 85 | S | 51.9 | Low | 53 | Low | 62 Ų | 62 | 98.6 Ų | 98.6 | 43% | 0.434 | 57% | 0.57 | S | S | . | * | trans | -52.2 | 142.7 | -177.2 | 175.7 | 0 | 0 | 0 | 0 | 112.8 | G83 S87 Q88 | G83-S85 PolarHBondContact O-N 3.49Å; S85-S87 PolarHBondContact O-N 3.44Å; S85-S87 WeakPolarHBondContact OG-CB 3.46Å; S85-S87 PolarHBondContact OG-N 2.88Å; S85-S87 PolarHBondContact OG-OG 3.13Å; S85-S87 VanDerWaalsContact OG-OG 3.13Å; S85-Q88 WeakPolarHBondContact O-CB 3.23Å; S85-Q88 PolarHBondContact O-N 3.26Å | ||
| 86 | R | 50.8 | Low | 54 | Low | 196 Ų | 196 | 95.1 Ų | 95.1 | 74% | 0.74 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -48.8 | -30.2 | 170 | -60.8 | -177 | -173.2 | -174.1 | 0.1 | 111.8 | Q88 R89 L90 | R86-Q88 VanDerWaalsContact C-N 3.34Å; R86-Q88 PolarHBondContact O-N 3.38Å; R86-R89 PolarHBondContact O-N 3.22Å; R86-L90 PolarHBondContact O-N 2.94Å |
| 87 | S | 51.1 | Low | 55.5 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 174.6 | -47.7 | 0 | 0 | 0 | 0 | 113 | S85 R89 L90 V91 | S85-S87 PolarHBondContact O-N 3.44Å; S85-S87 WeakPolarHBondContact OG-CB 3.46Å; S85-S87 PolarHBondContact OG-N 2.88Å; S85-S87 PolarHBondContact OG-OG 3.13Å; S85-S87 VanDerWaalsContact OG-OG 3.13Å; S87-R89 PolarHBondContact O-N 3Å; S87-L90 PolarHBondContact O-N 2.88Å; S87-V91 WeakPolarHBondContact O-CB 3.35Å; S87-V91 WeakPolarHBondContact O-CG2 3.49Å; S87-V91 PolarHBondContact O-N 3.33Å |
| 88 | Q | 58.3 | Low | 57.2 | Low | 104 Ų | 104 | 88.4 Ų | 88.4 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.8 | -32.8 | -178 | -163.7 | 175 | -19.5 | 0 | 0 | 112.2 | M84 S85 R86 A92 | M84-Q88 HydrophobicContact CE-CB 4.18Å; M84-Q88 HydrophobicContact CE-CG 3.65Å; M84-Q88 HydrophobicContact CG-CB 4.27Å; M84-Q88 HydrophobicContact CG-CG 4.43Å; S85-Q88 WeakPolarHBondContact O-CB 3.23Å; S85-Q88 PolarHBondContact O-N 3.26Å; R86-Q88 VanDerWaalsContact C-N 3.34Å; R86-Q88 PolarHBondContact O-N 3.38Å; Q88-A92 WeakPolarHBondContact O-CB 3.34Å; Q88-A92 PolarHBondContact O-N 2.88Å |
| 89 | R | 62.1 | Low | 58.7 | Low | 75 Ų | 75 | 87.3 Ų | 87.3 | 28% | 0.283 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.3 | -40.1 | 173.7 | -64.1 | -178.7 | 179.2 | -163.8 | 0.3 | 111.6 | R86 S87 V91 A92 F93 S143 | R86-R89 PolarHBondContact O-N 3.22Å; S87-R89 PolarHBondContact O-N 3Å; R89-V91 VanDerWaalsContact C-N 3.33Å; R89-A92 PolarHBondContact O-N 2.71Å; R89-F93 WeakPolarHBondContact O-CB 3.36Å; R89-F93 PolarHBondContact O-N 2.83Å; R89-S143 PolarHBondContact NH1-OG 3.23Å |
| 90 | L | 64.3 | Low | 60.1 | Low | 113 Ų | 113 | 82.2 Ų | 82.2 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.3 | -38.5 | 174.7 | -169.3 | 67.7 | 0 | 0 | 0 | 111.4 | R86 S87 F93 G94 | R86-L90 PolarHBondContact O-N 2.94Å; S87-L90 PolarHBondContact O-N 2.88Å; L90-F93 PolarHBondContact O-N 3.41Å; L90-G94 PolarHBondContact O-N 2.93Å |
| 91 | V | 66.4 | Low | 61.7 | Low | 93 Ų | 93 | 79.7 Ų | 79.7 | 56% | 0.564 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | 173.3 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | S87 R89 F93 G94 V95 | S87-V91 WeakPolarHBondContact O-CB 3.35Å; S87-V91 WeakPolarHBondContact O-CG2 3.49Å; S87-V91 PolarHBondContact O-N 3.33Å; R89-V91 VanDerWaalsContact C-N 3.33Å; V91-F93 PolarHBondContact O-N 2.97Å; V91-G94 PolarHBondContact O-N 3.07Å; V91-V95 HydrophobicContact CG1-CG2 4.34Å; V91-V95 VanDerWaalsContact O-CG2 3.28Å; V91-V95 WeakPolarHBondContact O-CG2 3.31Å; V91-V95 PolarHBondContact O-N 2.87Å |
| 92 | A | 62.5 | Low | 63.5 | Low | 45 Ų | 45 | 78.9 Ų | 78.9 | 37% | 0.372 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q88 R89 C96 | Q88-A92 WeakPolarHBondContact O-CB 3.34Å; Q88-A92 PolarHBondContact O-N 2.88Å; R89-A92 PolarHBondContact O-N 2.71Å; A92-C96 WeakPolarHBondContact O-CB 3.35Å; A92-C96 PolarHBondContact O-N 3.46Å |
| 93 | F | 67.4 | Low | 64.7 | Low | 47 Ų | 47 | 72.9 Ų | 72.9 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 172.4 | 174 | -109.6 | 0 | 0 | 0 | 111.9 | R89 L90 V91 V95 C96 I97 G135 I138 L139 | R89-F93 WeakPolarHBondContact O-CB 3.36Å; R89-F93 PolarHBondContact O-N 2.83Å; L90-F93 PolarHBondContact O-N 3.41Å; V91-F93 PolarHBondContact O-N 2.97Å; F93-V95 PolarHBondContact O-N 3.3Å; F93-C96 WeakPolarHBondContact O-CB 3.49Å; F93-C96 PolarHBondContact O-N 2.84Å; F93-I97 HydrophobicContact CD1-CG1 4.45Å; F93-I97 HydrophobicContact CD2-CG1 4.02Å; F93-I97 HydrophobicContact CE1-CG1 3.99Å; F93-I97 HydrophobicContact CE2-CD1 3.87Å; F93-I97 HydrophobicContact CE2-CG1 3.54Å; F93-I97 HydrophobicContact CG-CG1 4.47Å; F93-I97 HydrophobicContact CZ-CD1 3.97Å; F93-I97 HydrophobicContact CZ-CG1 3.52Å; F93-I97 WeakPolarHBondContact O-CG1 3.2Å; F93-I97 PolarHBondContact O-N 3.11Å; F93-G135 WeakPolarHBondContact CD2-O 3.32Å; F93-G135 WeakPolarHBondContact CE2-O 3.06Å; F93-I138 HydrophobicContact CB-CG2 4.5Å; F93-L139 HydrophobicContact CD1-CD1 3.98Å; F93-L139 HydrophobicContact CD2-CB 3.86Å; F93-L139 HydrophobicContact CD2-CD1 4.27Å; F93-L139 HydrophobicContact CD2-CG 4.45Å; F93-L139 HydrophobicContact CE1-CD1 4.18Å; F93-L139 HydrophobicContact CE1-CD2 4.17Å; F93-L139 HydrophobicContact CE2-CB 3.88Å; F93-L139 HydrophobicContact CE2-CD1 4.45Å; F93-L139 HydrophobicContact CE2-CD2 3.97Å; F93-L139 HydrophobicContact CE2-CG 4.32Å; F93-L139 HydrophobicContact CG-CB 4.42Å; F93-L139 HydrophobicContact CG-CD1 4.02Å; F93-L139 HydrophobicContact CZ-CB 4.48Å; F93-L139 HydrophobicContact CZ-CD1 4.4Å; F93-L139 HydrophobicContact CZ-CD2 3.75Å; F93-L139 HydrophobicContact CZ-CG 4.44Å |
| 94 | G | 72.1 | Confident | 66.3 | Low | 33 Ų | 33 | 73.1 Ų | 73.1 | 34% | 0.34 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L90 V91 C96 I97 A98 | L90-G94 PolarHBondContact O-N 2.93Å; V91-G94 PolarHBondContact O-N 3.07Å; G94-C96 VanDerWaalsContact C-N 3.34Å; G94-C96 PolarHBondContact O-N 3.37Å; G94-I97 PolarHBondContact O-N 3.03Å; G94-A98 VanDerWaalsContact O-CB 3.23Å; G94-A98 WeakPolarHBondContact O-CB 3.45Å; G94-A98 PolarHBondContact O-N 3.18Å |
| 95 | V | 71.5 | Confident | 67.9 | Low | 96 Ų | 96 | 70 Ų | 70 | 58% | 0.582 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | V91 F93 A98 F99 | V91-V95 HydrophobicContact CG1-CG2 4.34Å; V91-V95 VanDerWaalsContact O-CG2 3.28Å; V91-V95 WeakPolarHBondContact O-CG2 3.31Å; V91-V95 PolarHBondContact O-N 2.87Å; F93-V95 PolarHBondContact O-N 3.3Å; V95-A98 PolarHBondContact O-N 3.14Å; V95-F99 WeakPolarHBondContact O-CB 3.38Å; V95-F99 PolarHBondContact O-N 3.48Å |
| 96 | C | 67.8 | Low | 68.9 | Low | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 179 | -160.8 | 0 | 0 | 0 | 0 | 112.5 | A92 F93 G94 F99 S100 F131 G135 | A92-C96 WeakPolarHBondContact O-CB 3.35Å; A92-C96 PolarHBondContact O-N 3.46Å; F93-C96 WeakPolarHBondContact O-CB 3.49Å; F93-C96 PolarHBondContact O-N 2.84Å; G94-C96 VanDerWaalsContact C-N 3.34Å; G94-C96 PolarHBondContact O-N 3.37Å; C96-F99 PolarHBondContact O-N 3.06Å; C96-S100 PolarHBondContact O-N 2.81Å; C96-F131 PolarHBondContact SG-O 3.16Å; C96-G135 PolarHBondContact SG-N 3.06Å; C96-G135 VanDerWaalsContact SG-N 3.39Å |
| 97 | I | 77.5 | Confident | 69.8 | Low | 69 Ų | 69 | 62.1 Ų | 62.1 | 35% | 0.354 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 174.9 | -70 | -65.6 | 0 | 0 | 0 | 111.4 | F93 G94 F99 S100 A101 | F93-I97 HydrophobicContact CD1-CG1 4.45Å; F93-I97 HydrophobicContact CD2-CG1 4.02Å; F93-I97 HydrophobicContact CE1-CG1 3.99Å; F93-I97 HydrophobicContact CE2-CD1 3.87Å; F93-I97 HydrophobicContact CE2-CG1 3.54Å; F93-I97 HydrophobicContact CG-CG1 4.47Å; F93-I97 HydrophobicContact CZ-CD1 3.97Å; F93-I97 HydrophobicContact CZ-CG1 3.52Å; F93-I97 WeakPolarHBondContact O-CG1 3.2Å; F93-I97 PolarHBondContact O-N 3.11Å; G94-I97 PolarHBondContact O-N 3.03Å; I97-F99 VanDerWaalsContact C-N 3.32Å; I97-F99 PolarHBondContact O-N 2.93Å; I97-S100 PolarHBondContact O-N 3.33Å; I97-A101 WeakPolarHBondContact O-CB 3.19Å; I97-A101 PolarHBondContact O-N 2.73Å |
| 98 | A | 77.2 | Confident | 70.8 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G94 V95 A101 L102 | G94-A98 VanDerWaalsContact O-CB 3.23Å; G94-A98 WeakPolarHBondContact O-CB 3.45Å; G94-A98 PolarHBondContact O-N 3.18Å; V95-A98 PolarHBondContact O-N 3.14Å; A98-A101 PolarHBondContact O-N 3.26Å; A98-L102 VanDerWaalsContact O-CG 3.29Å; A98-L102 WeakPolarHBondContact O-CG 3.25Å; A98-L102 PolarHBondContact O-N 2.92Å |
| 99 | F | 75.9 | Confident | 71.5 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 44% | 0.443 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 177 | -164.5 | -89.7 | 0 | 0 | 0 | 112.6 | V95 C96 I97 L102 C103 F131 | V95-F99 WeakPolarHBondContact O-CB 3.38Å; V95-F99 PolarHBondContact O-N 3.48Å; C96-F99 PolarHBondContact O-N 3.06Å; I97-F99 VanDerWaalsContact C-N 3.32Å; I97-F99 PolarHBondContact O-N 2.93Å; F99-L102 PolarHBondContact O-N 3.43Å; F99-C103 WeakPolarHBondContact O-CB 3.35Å; F99-C103 PolarHBondContact O-N 3.46Å; F99-F131 HydrophobicContact CD1-CB 4.48Å; F99-F131 HydrophobicContact CD1-CD1 4.28Å; F99-F131 AromaticContact CD1-CD2 3.3Å; F99-F131 HydrophobicContact CD1-CD2 3.3Å; F99-F131 HydrophobicContact CD1-CE1 4.36Å; F99-F131 AromaticContact CD1-CE2 3.39Å; F99-F131 HydrophobicContact CD1-CE2 3.39Å; F99-F131 AromaticContact CD1-CG 3.78Å; F99-F131 HydrophobicContact CD1-CG 3.78Å; F99-F131 AromaticContact CD1-CZ 3.94Å; F99-F131 HydrophobicContact CD1-CZ 3.94Å; F99-F131 AromaticContact CE1-CD2 3.5Å; F99-F131 HydrophobicContact CE1-CD2 3.5Å; F99-F131 VanDerWaalsContact CE1-CD2 3.5Å; F99-F131 AromaticContact CE1-CE2 3.19Å; F99-F131 HydrophobicContact CE1-CE2 3.19Å; F99-F131 HydrophobicContact CE1-CG 4.4Å; F99-F131 AromaticContact CE1-CZ 3.89Å; F99-F131 HydrophobicContact CE1-CZ 3.89Å; F99-F131 HydrophobicContact CZ-CE2 4.23Å |
| 100 | S | 74.5 | Confident | 71.7 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | C96 I97 C103 F104 G128 | C96-S100 PolarHBondContact O-N 2.81Å; I97-S100 PolarHBondContact O-N 3.33Å; S100-C103 WeakPolarHBondContact O-CB 3.49Å; S100-C103 PolarHBondContact O-N 3.37Å; S100-C103 VanDerWaalsContact O-N 3.17Å; S100-F104 VanDerWaalsContact O-CD2 3.31Å; S100-F104 WeakPolarHBondContact O-CD2 3.33Å; S100-F104 PolarHBondContact O-N 2.98Å; S100-F104 WeakPolarHBondContact OG-CE2 3.15Å; S100-G128 WeakPolarHBondContact CB-O 3.21Å; S100-G128 PolarHBondContact OG-O 2.89Å |
| 101 | A | 76.7 | Confident | 71.6 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 49% | 0.488 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I97 A98 C103 F104 G105 | I97-A101 WeakPolarHBondContact O-CB 3.19Å; I97-A101 PolarHBondContact O-N 2.73Å; A98-A101 PolarHBondContact O-N 3.26Å; A101-C103 VanDerWaalsContact C-N 3.31Å; A101-C103 PolarHBondContact O-N 3.33Å; A101-F104 PolarHBondContact O-N 3.31Å; A101-G105 PolarHBondContact O-N 3.4Å |
| 102 | L | 78.4 | Confident | 71.4 | Confident | 116 Ų | 116 | 60 Ų | 60 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 172.8 | -72 | 176.5 | 0 | 0 | 0 | 111.2 | A98 F99 G105 L106 | A98-L102 VanDerWaalsContact O-CG 3.29Å; A98-L102 WeakPolarHBondContact O-CG 3.25Å; A98-L102 PolarHBondContact O-N 2.92Å; F99-L102 PolarHBondContact O-N 3.43Å; L102-G105 PolarHBondContact O-N 2.81Å; L102-L106 WeakPolarHBondContact O-CB 3.27Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 2.8Å |
| 103 | C | 69.4 | Low | 71.3 | Confident | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.081 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 179.3 | -147.5 | 0 | 0 | 0 | 0 | 112.3 | F99 S100 A101 S107 L124 | F99-C103 WeakPolarHBondContact O-CB 3.35Å; F99-C103 PolarHBondContact O-N 3.46Å; S100-C103 WeakPolarHBondContact O-CB 3.49Å; S100-C103 PolarHBondContact O-N 3.37Å; S100-C103 VanDerWaalsContact O-N 3.17Å; A101-C103 VanDerWaalsContact C-N 3.31Å; A101-C103 PolarHBondContact O-N 3.33Å; C103-S107 WeakPolarHBondContact O-CB 3.21Å; C103-S107 PolarHBondContact O-N 2.9Å; C103-L124 PolarHBondContact SG-O 3.1Å |
| 104 | F | 75.3 | Confident | 70.8 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 172.5 | -78.8 | -56.2 | 0 | 0 | 0 | 112.7 | S100 A101 S107 A108 W125 | S100-F104 VanDerWaalsContact O-CD2 3.31Å; S100-F104 WeakPolarHBondContact O-CD2 3.33Å; S100-F104 PolarHBondContact O-N 2.98Å; S100-F104 WeakPolarHBondContact OG-CE2 3.15Å; A101-F104 PolarHBondContact O-N 3.31Å; F104-S107 WeakPolarHBondContact O-CB 3.45Å; F104-S107 PolarHBondContact O-N 2.94Å; F104-A108 WeakPolarHBondContact O-CB 3.4Å; F104-A108 PolarHBondContact O-N 3.43Å; F104-W125 AromaticContact CD1-CD1 3.76Å; F104-W125 AromaticContact CE1-CD1 3.49Å; F104-W125 VanDerWaalsContact CE1-CD1 3.49Å; F104-W125 HydrophobicContact CE1-CG 4.32Å; F104-W125 AromaticContact CE1-NE1 3.62Å |
| 105 | G | 73.9 | Confident | 70.1 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A101 L102 S107 A108 L109 | A101-G105 PolarHBondContact O-N 3.4Å; L102-G105 PolarHBondContact O-N 2.81Å; G105-S107 VanDerWaalsContact C-N 3.35Å; G105-A108 PolarHBondContact O-N 3.12Å; G105-L109 PolarHBondContact O-N 3.43Å |
| 106 | L | 72.8 | Confident | 69.3 | Low | 89 Ų | 89 | 72.2 Ų | 72.2 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 173 | -70.7 | 170.9 | 0 | 0 | 0 | 111.8 | L102 L109 Y110 L124 | L102-L106 WeakPolarHBondContact O-CB 3.27Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 2.8Å; L106-L109 PolarHBondContact O-N 3.34Å; L106-Y110 WeakPolarHBondContact O-CB 3.46Å; L106-Y110 PolarHBondContact O-N 3.01Å; L106-L124 HydrophobicContact CB-CD2 3.34Å; L106-L124 HydrophobicContact CD1-CD2 4.06Å; L106-L124 HydrophobicContact CG-CD2 4.34Å |
| 107 | S | 71 | Confident | 68.6 | Low | 4 Ų | 4 | 78.8 Ų | 78.8 | 3% | 0.028 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 172.2 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | C103 F104 G105 Y110 A111 F121 | C103-S107 WeakPolarHBondContact O-CB 3.21Å; C103-S107 PolarHBondContact O-N 2.9Å; F104-S107 WeakPolarHBondContact O-CB 3.45Å; F104-S107 PolarHBondContact O-N 2.94Å; G105-S107 VanDerWaalsContact C-N 3.35Å; S107-Y110 PolarHBondContact O-N 3.22Å; S107-A111 PolarHBondContact O-N 3.33Å; S107-F121 VanDerWaalsContact O-CD2 3.23Å; S107-F121 WeakPolarHBondContact O-CD2 3.27Å; S107-F121 WeakPolarHBondContact O-CE2 3.35Å; S107-F121 WeakPolarHBondContact OG-CD2 3.37Å; S107-F121 WeakPolarHBondContact OG-CE2 3.1Å |
| 108 | A | 72.2 | Confident | 67.6 | Low | 64 Ų | 64 | 78.4 Ų | 78.4 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F104 G105 Y110 A111 | F104-A108 WeakPolarHBondContact O-CB 3.4Å; F104-A108 PolarHBondContact O-N 3.43Å; G105-A108 PolarHBondContact O-N 3.12Å; A108-Y110 VanDerWaalsContact C-N 3.3Å; A108-Y110 PolarHBondContact O-N 2.99Å; A108-A111 WeakPolarHBondContact O-CB 3.27Å; A108-A111 PolarHBondContact O-N 3.06Å; A108-A111 VanDerWaalsContact O-N 3.17Å |
| 109 | L | 72.6 | Confident | 66.6 | Low | 123 Ų | 123 | 84.7 Ų | 84.7 | 64% | 0.644 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.8 | -29.2 | 173.1 | -88.3 | 162.3 | 0 | 0 | 0 | 113 | G105 L106 A111 P112 | G105-L109 PolarHBondContact O-N 3.43Å; L106-L109 PolarHBondContact O-N 3.34Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-P112 WeakPolarHBondContact O-CD 3.26Å; L109-P112 WeakPolarHBondContact O-CG 3.33Å |
| 110 | Y | 65.8 | Low | 65.5 | Low | 70 Ų | 70 | 84.4 Ų | 84.4 | 28% | 0.275 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -77.5 | -11.6 | 173.3 | -102.4 | -95.3 | 0 | 0 | 0 | 113.5 | L106 S107 A108 L113 L114 K120 | L106-Y110 WeakPolarHBondContact O-CB 3.46Å; L106-Y110 PolarHBondContact O-N 3.01Å; S107-Y110 PolarHBondContact O-N 3.22Å; A108-Y110 VanDerWaalsContact C-N 3.3Å; A108-Y110 PolarHBondContact O-N 2.99Å; Y110-L113 HydrophobicContact CD1-CB 4.49Å; Y110-L113 CarbonylContact O-C 3.54Å; Y110-L113 PolarHBondContact O-N 2.86Å; Y110-L113 VanDerWaalsContact O-N 3.14Å; Y110-L114 WeakPolarHBondContact O-CA 3.39Å; Y110-L114 WeakPolarHBondContact O-CB 3.28Å; Y110-L114 PolarHBondContact O-N 3.43Å; Y110-K120 HydrophobicContact CE1-CB 4.24Å; Y110-K120 HydrophobicContact CE1-CD 4.17Å |
| 111 | A | 63.6 | Low | 65.1 | Low | 50 Ų | 50 | 86.9 Ų | 86.9 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -59.5 | -44 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S107 A108 L109 L113 L114 F121 | S107-A111 PolarHBondContact O-N 3.33Å; A108-A111 WeakPolarHBondContact O-CB 3.27Å; A108-A111 PolarHBondContact O-N 3.06Å; A108-A111 VanDerWaalsContact O-N 3.17Å; L109-A111 VanDerWaalsContact C-N 3.3Å; A111-L113 VanDerWaalsContact C-N 3.33Å; A111-L114 WeakPolarHBondContact O-CB 3.45Å; A111-L114 PolarHBondContact O-N 2.95Å; A111-F121 HydrophobicContact CB-CE2 4.37Å |
| 112 | P | 62.1 | Low | 64.4 | Low | 106 Ų | 106 | 85.3 Ų | 85.3 | 69% | 0.688 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -23.8 | 172.4 | 23.7 | -32.6 | 0 | 0 | 0 | 113.7 | L109 | L109-P112 WeakPolarHBondContact O-CD 3.26Å; L109-P112 WeakPolarHBondContact O-CG 3.33Å |
| 113 | L | 59.3 | Low | 63.5 | Low | 108 Ų | 108 | 83.4 Ų | 83.4 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.1 | 176.7 | -63.9 | 172.1 | 0 | 0 | 0 | 113.2 | Y110 A111 L115 L116 | Y110-L113 HydrophobicContact CD1-CB 4.49Å; Y110-L113 CarbonylContact O-C 3.54Å; Y110-L113 PolarHBondContact O-N 2.86Å; Y110-L113 VanDerWaalsContact O-N 3.14Å; A111-L113 VanDerWaalsContact C-N 3.33Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 2.97Å; L113-L116 PolarHBondContact O-N 3.48Å |
| 114 | L | 57.9 | Low | 63.4 | Low | 51 Ų | 51 | 84.6 Ų | 84.6 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.6 | -26.5 | -168.8 | -147.1 | 162.2 | 0 | 0 | 0 | 112.6 | Y110 A111 L116 Y117 A118 F121 | Y110-L114 WeakPolarHBondContact O-CA 3.39Å; Y110-L114 WeakPolarHBondContact O-CB 3.28Å; Y110-L114 PolarHBondContact O-N 3.43Å; A111-L114 WeakPolarHBondContact O-CB 3.45Å; A111-L114 PolarHBondContact O-N 2.95Å; L114-L116 PolarHBondContact O-N 3.49Å; L114-L116 VanDerWaalsContact O-N 3.12Å; L114-Y117 PolarHBondContact O-N 3.32Å; L114-A118 HydrophobicContact CD2-CB 3.9Å; L114-A118 PolarHBondContact O-N 3.04Å; L114-F121 HydrophobicContact CD1-CB 3.96Å; L114-F121 HydrophobicContact CD1-CD1 3.63Å; L114-F121 HydrophobicContact CD1-CD2 3.42Å; L114-F121 VanDerWaalsContact CD1-CD2 3.42Å; L114-F121 HydrophobicContact CD1-CE1 3.89Å; L114-F121 HydrophobicContact CD1-CE2 3.67Å; L114-F121 HydrophobicContact CD1-CG 3.38Å; L114-F121 HydrophobicContact CD1-CZ 3.91Å; L114-F121 HydrophobicContact CD2-CB 4.47Å; L114-F121 HydrophobicContact CG-CB 3.88Å; L114-F121 HydrophobicContact CG-CD1 4.35Å; L114-F121 HydrophobicContact CG-CD2 4.19Å; L114-F121 HydrophobicContact CG-CG 3.9Å |
| 115 | L | 56.8 | Low | 63.1 | Low | 172 Ų | 172 | 84.8 Ų | 84.8 | 90% | 0.901 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59 | -22.5 | 175.8 | -85.8 | 165.6 | 0 | 0 | 0 | 113.5 | L113 | L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 2.97Å |
| 116 | L | 53.7 | Low | 62.4 | Low | 148 Ų | 148 | 85.4 Ų | 85.4 | 78% | 0.775 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -108 | -21.3 | 178.9 | -65.1 | 172.6 | 0 | 0 | 0 | 113.9 | L113 L114 | L113-L116 PolarHBondContact O-N 3.48Å; L114-L116 PolarHBondContact O-N 3.49Å; L114-L116 VanDerWaalsContact O-N 3.12Å |
| 117 | Y | 53.2 | Low | 61.9 | Low | 146 Ų | 146 | 84.7 Ų | 84.7 | 57% | 0.573 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -142.5 | 53.3 | -174.3 | -75.8 | -79.5 | 0 | 0 | 0 | 114.2 | L114 R119 K120 | L114-Y117 PolarHBondContact O-N 3.32Å; Y117-R119 PolarHBondContact O-N 2.76Å; Y117-K120 HydrophobicContact CD1-CD 4.43Å; Y117-K120 PolarHBondContact O-N 2.92Å; Y117-K120 VanDerWaalsContact O-N 3.14Å |
| 118 | A | 56.5 | Low | 61.8 | Low | 61 Ų | 61 | 84.5 Ų | 84.5 | 50% | 0.504 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -51.9 | -27.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L114 | L114-A118 HydrophobicContact CD2-CB 3.9Å; L114-A118 PolarHBondContact O-N 3.04Å |
| 119 | R | 56.3 | Low | 61.5 | Low | 183 Ų | 183 | 82.9 Ų | 82.9 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.7 | -38.1 | -178.8 | -164.8 | 176.8 | -64.1 | -175.5 | -1.2 | 113 | Y117 L123 | Y117-R119 PolarHBondContact O-N 2.76Å; R119-L123 WeakPolarHBondContact O-CG 3.48Å |
| 120 | K | 54.3 | Low | 61.2 | Low | 96 Ų | 96 | 80 Ų | 80 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.7 | -36.2 | -177.7 | -70 | -177.7 | 166.1 | -176.4 | 0 | 111.1 | Y110 Y117 A122 L123 L124 | Y110-K120 HydrophobicContact CE1-CB 4.24Å; Y110-K120 HydrophobicContact CE1-CD 4.17Å; Y117-K120 HydrophobicContact CD1-CD 4.43Å; Y117-K120 PolarHBondContact O-N 2.92Å; Y117-K120 VanDerWaalsContact O-N 3.14Å; K120-A122 PolarHBondContact O-N 2.84Å; K120-L123 PolarHBondContact O-N 2.77Å; K120-L124 HydrophobicContact CB-CD1 4.43Å; K120-L124 WeakPolarHBondContact O-CD1 3.18Å; K120-L124 PolarHBondContact O-N 3.36Å |
| 121 | F | 64.8 | Low | 61.1 | Low | 58 Ų | 58 | 79.2 Ų | 79.2 | 25% | 0.254 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 178.1 | 179.2 | -97.1 | 0 | 0 | 0 | 112.9 | S107 A111 L114 L123 L124 W125 | S107-F121 VanDerWaalsContact O-CD2 3.23Å; S107-F121 WeakPolarHBondContact O-CD2 3.27Å; S107-F121 WeakPolarHBondContact O-CE2 3.35Å; S107-F121 WeakPolarHBondContact OG-CD2 3.37Å; S107-F121 WeakPolarHBondContact OG-CE2 3.1Å; A111-F121 HydrophobicContact CB-CE2 4.37Å; L114-F121 HydrophobicContact CD1-CB 3.96Å; L114-F121 HydrophobicContact CD1-CD1 3.63Å; L114-F121 HydrophobicContact CD1-CD2 3.42Å; L114-F121 VanDerWaalsContact CD1-CD2 3.42Å; L114-F121 HydrophobicContact CD1-CE1 3.89Å; L114-F121 HydrophobicContact CD1-CE2 3.67Å; L114-F121 HydrophobicContact CD1-CG 3.38Å; L114-F121 HydrophobicContact CD1-CZ 3.91Å; L114-F121 HydrophobicContact CD2-CB 4.47Å; L114-F121 HydrophobicContact CG-CB 3.88Å; L114-F121 HydrophobicContact CG-CD1 4.35Å; L114-F121 HydrophobicContact CG-CD2 4.19Å; L114-F121 HydrophobicContact CG-CG 3.9Å; F121-L123 VanDerWaalsContact C-N 3.28Å; F121-L123 PolarHBondContact O-N 2.85Å; F121-L124 PolarHBondContact O-N 2.95Å; F121-W125 WeakPolarHBondContact O-CB 3.42Å; F121-W125 PolarHBondContact O-N 3.4Å |
| 122 | A | 63.2 | Low | 61.4 | Low | 26 Ų | 26 | 78.4 Ų | 78.4 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K120 S126 T176 | K120-A122 PolarHBondContact O-N 2.84Å; A122-S126 WeakPolarHBondContact O-CB 3.1Å; A122-S126 PolarHBondContact O-N 2.7Å; A122-S126 VanDerWaalsContact O-N 3.11Å; A122-S126 PolarHBondContact O-OG 3.41Å; A122-T176 HydrophobicContact CB-CG2 4Å |
| 123 | L | 59.6 | Low | 61.6 | Low | 76 Ų | 76 | 79 Ų | 79 | 40% | 0.398 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.5 | -50.6 | 177.4 | -66.7 | -179.7 | 0 | 0 | 0 | 111.7 | R119 K120 F121 W125 S126 L127 L168 | R119-L123 WeakPolarHBondContact O-CG 3.48Å; K120-L123 PolarHBondContact O-N 2.77Å; F121-L123 VanDerWaalsContact C-N 3.28Å; F121-L123 PolarHBondContact O-N 2.85Å; L123-W125 VanDerWaalsContact C-N 3.3Å; L123-W125 PolarHBondContact O-N 3.15Å; L123-S126 PolarHBondContact O-N 3.08Å; L123-L127 WeakPolarHBondContact O-CB 3.25Å; L123-L127 PolarHBondContact O-N 2.77Å; L123-L168 HydrophobicContact CD2-CD1 4.49Å; L123-L168 HydrophobicContact CD2-CD2 3.23Å; L123-L168 HydrophobicContact CD2-CG 4.49Å |
| 124 | L | 67.5 | Low | 61.8 | Low | 37 Ų | 37 | 77 Ų | 77 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 179.9 | -78.5 | 94.7 | 0 | 0 | 0 | 111.4 | C103 L106 K120 F121 L127 G128 | C103-L124 PolarHBondContact SG-O 3.1Å; L106-L124 HydrophobicContact CB-CD2 3.34Å; L106-L124 HydrophobicContact CD1-CD2 4.06Å; L106-L124 HydrophobicContact CG-CD2 4.34Å; K120-L124 HydrophobicContact CB-CD1 4.43Å; K120-L124 WeakPolarHBondContact O-CD1 3.18Å; K120-L124 PolarHBondContact O-N 3.36Å; F121-L124 PolarHBondContact O-N 2.95Å; L124-L127 PolarHBondContact O-N 3.44Å; L124-G128 PolarHBondContact O-N 2.85Å |
| 125 | W | 67.2 | Low | 62 | Low | 79 Ų | 79 | 74.5 Ų | 74.5 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.3 | -36.2 | 179.7 | -171.3 | 76.6 | 0 | 0 | 0 | 113.8 | F104 F121 L123 S129 Q183 | F104-W125 AromaticContact CD1-CD1 3.76Å; F104-W125 AromaticContact CE1-CD1 3.49Å; F104-W125 VanDerWaalsContact CE1-CD1 3.49Å; F104-W125 HydrophobicContact CE1-CG 4.32Å; F104-W125 AromaticContact CE1-NE1 3.62Å; F121-W125 WeakPolarHBondContact O-CB 3.42Å; F121-W125 PolarHBondContact O-N 3.4Å; L123-W125 VanDerWaalsContact C-N 3.3Å; L123-W125 PolarHBondContact O-N 3.15Å; W125-S129 PolarHBondContact O-N 3.42Å; W125-S129 VanDerWaalsContact O-N 3.16Å; W125-S129 PolarHBondContact O-OG 3.02Å; W125-Q183 HydrophobicContact CH2-CB 4.02Å; W125-Q183 HydrophobicContact CH2-CG 3.84Å; W125-Q183 HydrophobicContact CZ3-CG 4.44Å |
| 126 | S | 59.3 | Low | 62.3 | Low | 46 Ų | 46 | 68.9 Ų | 68.9 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.4 | -39.8 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 112 | A122 L123 S129 L130 | A122-S126 WeakPolarHBondContact O-CB 3.1Å; A122-S126 PolarHBondContact O-N 2.7Å; A122-S126 VanDerWaalsContact O-N 3.11Å; A122-S126 PolarHBondContact O-OG 3.41Å; L123-S126 PolarHBondContact O-N 3.08Å; S126-S129 PolarHBondContact O-N 2.91Å; S126-L130 PolarHBondContact O-N 3.15Å |
| 127 | L | 63.9 | Low | 62.6 | Low | 74 Ų | 74 | 64.8 Ų | 64.8 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.5 | -113.4 | 161.4 | 0 | 0 | 0 | 111.8 | L123 L124 S129 L130 F131 | L123-L127 WeakPolarHBondContact O-CB 3.25Å; L123-L127 PolarHBondContact O-N 2.77Å; L124-L127 PolarHBondContact O-N 3.44Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 3.14Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-F131 HydrophobicContact CD2-CD2 3.75Å; L127-F131 HydrophobicContact CD2-CE2 3.41Å; L127-F131 VanDerWaalsContact CD2-CE2 3.41Å; L127-F131 WeakPolarHBondContact O-CD2 3.27Å; L127-F131 PolarHBondContact O-N 3.37Å; L127-F131 VanDerWaalsContact O-N 3.11Å |
| 128 | G | 68.6 | Low | 62.8 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S100 L124 A132 | S100-G128 WeakPolarHBondContact CB-O 3.21Å; S100-G128 PolarHBondContact OG-O 2.89Å; L124-G128 PolarHBondContact O-N 2.85Å; G128-A132 WeakPolarHBondContact O-CB 3.33Å; G128-A132 PolarHBondContact O-N 3.45Å |
| 129 | S | 65.9 | Low | 62.9 | Low | 31 Ų | 31 | 60.9 Ų | 60.9 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | W125 S126 L127 A132 I133 | W125-S129 PolarHBondContact O-N 3.42Å; W125-S129 VanDerWaalsContact O-N 3.16Å; W125-S129 PolarHBondContact O-OG 3.02Å; S126-S129 PolarHBondContact O-N 2.91Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 3.14Å; S129-A132 PolarHBondContact O-N 3.33Å; S129-I133 WeakPolarHBondContact O-CG1 3.37Å; S129-I133 PolarHBondContact O-N 3.32Å; S129-I133 VanDerWaalsContact O-N 3.15Å |
| 130 | L | 64.8 | Low | 62.9 | Low | 61 Ų | 61 | 62.4 Ų | 62.4 | 32% | 0.319 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 176 | -172.7 | 91.9 | 0 | 0 | 0 | 111.3 | S126 L127 A132 I133 L134 I160 L164 | S126-L130 PolarHBondContact O-N 3.15Å; L127-L130 PolarHBondContact O-N 3.39Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 3.46Å; L130-I133 PolarHBondContact O-N 2.98Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 PolarHBondContact O-N 3.38Å; L130-I160 HydrophobicContact CD1-CG2 3.75Å; L130-L164 HydrophobicContact CD1-CD2 4.11Å |
| 131 | F | 64.9 | Low | 62.6 | Low | 54 Ų | 54 | 59.5 Ų | 59.5 | 24% | 0.237 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 179.2 | -83.1 | -67.2 | 0 | 0 | 0 | 112.4 | C96 F99 L127 I133 L134 G135 | C96-F131 PolarHBondContact SG-O 3.16Å; F99-F131 HydrophobicContact CD1-CB 4.48Å; F99-F131 HydrophobicContact CD1-CD1 4.28Å; F99-F131 AromaticContact CD1-CD2 3.3Å; F99-F131 HydrophobicContact CD1-CD2 3.3Å; F99-F131 HydrophobicContact CD1-CE1 4.36Å; F99-F131 AromaticContact CD1-CE2 3.39Å; F99-F131 HydrophobicContact CD1-CE2 3.39Å; F99-F131 AromaticContact CD1-CG 3.78Å; F99-F131 HydrophobicContact CD1-CG 3.78Å; F99-F131 AromaticContact CD1-CZ 3.94Å; F99-F131 HydrophobicContact CD1-CZ 3.94Å; F99-F131 AromaticContact CE1-CD2 3.5Å; F99-F131 HydrophobicContact CE1-CD2 3.5Å; F99-F131 VanDerWaalsContact CE1-CD2 3.5Å; F99-F131 AromaticContact CE1-CE2 3.19Å; F99-F131 HydrophobicContact CE1-CE2 3.19Å; F99-F131 HydrophobicContact CE1-CG 4.4Å; F99-F131 AromaticContact CE1-CZ 3.89Å; F99-F131 HydrophobicContact CE1-CZ 3.89Å; F99-F131 HydrophobicContact CZ-CE2 4.23Å; L127-F131 HydrophobicContact CD2-CD2 3.75Å; L127-F131 HydrophobicContact CD2-CE2 3.41Å; L127-F131 VanDerWaalsContact CD2-CE2 3.41Å; L127-F131 WeakPolarHBondContact O-CD2 3.27Å; L127-F131 PolarHBondContact O-N 3.37Å; L127-F131 VanDerWaalsContact O-N 3.11Å; F131-I133 PolarHBondContact O-N 3.11Å; F131-L134 HydrophobicContact CD1-CD2 4.25Å; F131-L134 HydrophobicContact CE1-CD2 4.35Å; F131-L134 PolarHBondContact O-N 3.43Å; F131-G135 PolarHBondContact O-N 3.4Å |
| 132 | A | 69.8 | Low | 61.7 | Low | 33 Ų | 33 | 58.2 Ų | 58.2 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G128 S129 L130 G135 A136 | G128-A132 WeakPolarHBondContact O-CB 3.33Å; G128-A132 PolarHBondContact O-N 3.45Å; S129-A132 PolarHBondContact O-N 3.33Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 3.46Å; A132-G135 PolarHBondContact O-N 3.17Å; A132-A136 PolarHBondContact O-N 3.33Å |
| 133 | I | 66.6 | Low | 60.7 | Low | 120 Ų | 120 | 59 Ų | 59 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.7 | -40 | 178.6 | -64.5 | 165.9 | 0 | 0 | 0 | 110.8 | S129 L130 F131 A136 A137 | S129-I133 WeakPolarHBondContact O-CG1 3.37Å; S129-I133 PolarHBondContact O-N 3.32Å; S129-I133 VanDerWaalsContact O-N 3.15Å; L130-I133 PolarHBondContact O-N 2.98Å; F131-I133 PolarHBondContact O-N 3.11Å; I133-A136 PolarHBondContact O-N 3.25Å; I133-A137 WeakPolarHBondContact O-CB 3.21Å; I133-A137 PolarHBondContact O-N 3.26Å |
| 134 | L | 62.3 | Low | 59.9 | Low | 64 Ų | 64 | 64.5 Ų | 64.5 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 176.7 | -172.2 | 62.1 | 0 | 0 | 0 | 111.7 | L130 F131 A137 I138 L157 | L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 PolarHBondContact O-N 3.38Å; F131-L134 HydrophobicContact CD1-CD2 4.25Å; F131-L134 HydrophobicContact CE1-CD2 4.35Å; F131-L134 PolarHBondContact O-N 3.43Å; L134-A137 PolarHBondContact O-N 2.9Å; L134-I138 HydrophobicContact CG-CD1 4.25Å; L134-I138 VanDerWaalsContact O-CG1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.24Å; L134-I138 PolarHBondContact O-N 3.25Å; L134-L157 HydrophobicContact CD1-CD2 4.44Å |
| 135 | G | 63 | Low | 58.7 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F93 C96 F131 A132 A137 I138 L139 | F93-G135 WeakPolarHBondContact CD2-O 3.32Å; F93-G135 WeakPolarHBondContact CE2-O 3.06Å; C96-G135 PolarHBondContact SG-N 3.06Å; C96-G135 VanDerWaalsContact SG-N 3.39Å; F131-G135 PolarHBondContact O-N 3.4Å; A132-G135 PolarHBondContact O-N 3.17Å; G135-A137 VanDerWaalsContact C-N 3.26Å; G135-A137 PolarHBondContact O-N 3.2Å; G135-I138 PolarHBondContact O-N 2.85Å; G135-I138 VanDerWaalsContact O-N 3.14Å; G135-L139 PolarHBondContact O-N 2.93Å |
| 136 | A | 63.6 | Low | 57.7 | Low | 53 Ų | 53 | 69.3 Ų | 69.3 | 44% | 0.438 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -34.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | A132 I133 L139 R140 | A132-A136 PolarHBondContact O-N 3.33Å; I133-A136 PolarHBondContact O-N 3.25Å; A136-L139 PolarHBondContact O-N 3.45Å; A136-R140 PolarHBondContact O-N 3.14Å |
| 137 | A | 60 | Low | 56.9 | Low | 63 Ų | 63 | 71.8 Ų | 71.8 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I133 L134 G135 L139 R140 | I133-A137 WeakPolarHBondContact O-CB 3.21Å; I133-A137 PolarHBondContact O-N 3.26Å; L134-A137 PolarHBondContact O-N 2.9Å; G135-A137 VanDerWaalsContact C-N 3.26Å; G135-A137 PolarHBondContact O-N 3.2Å; A137-L139 VanDerWaalsContact C-N 3.31Å; A137-L139 PolarHBondContact O-N 3.19Å; A137-R140 PolarHBondContact O-N 3.48Å |
| 138 | I | 57.3 | Low | 55.7 | Low | 50 Ų | 50 | 77.8 Ų | 77.8 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 175 | -67.9 | 163.6 | 0 | 0 | 0 | 110.8 | F93 L134 G135 P142 | F93-I138 HydrophobicContact CB-CG2 4.5Å; L134-I138 HydrophobicContact CG-CD1 4.25Å; L134-I138 VanDerWaalsContact O-CG1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.24Å; L134-I138 PolarHBondContact O-N 3.25Å; G135-I138 PolarHBondContact O-N 2.85Å; G135-I138 VanDerWaalsContact O-N 3.14Å; I138-P142 WeakPolarHBondContact O-CD 3.43Å |
| 139 | L | 58.3 | Low | 54.4 | Low | 74 Ų | 74 | 83.1 Ų | 83.1 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 179.2 | -164.7 | 66.9 | 0 | 0 | 0 | 111.7 | W73 F93 G135 A136 A137 G141 | W73-L139 HydrophobicContact CH2-CD2 4.14Å; W73-L139 HydrophobicContact CH2-CG 4.1Å; W73-L139 HydrophobicContact CZ3-CD2 4.37Å; W73-L139 HydrophobicContact CZ3-CG 3.86Å; W73-L139 WeakPolarHBondContact CZ3-O 3.19Å; F93-L139 HydrophobicContact CD1-CD1 3.98Å; F93-L139 HydrophobicContact CD2-CB 3.86Å; F93-L139 HydrophobicContact CD2-CD1 4.27Å; F93-L139 HydrophobicContact CD2-CG 4.45Å; F93-L139 HydrophobicContact CE1-CD1 4.18Å; F93-L139 HydrophobicContact CE1-CD2 4.17Å; F93-L139 HydrophobicContact CE2-CB 3.88Å; F93-L139 HydrophobicContact CE2-CD1 4.45Å; F93-L139 HydrophobicContact CE2-CD2 3.97Å; F93-L139 HydrophobicContact CE2-CG 4.32Å; F93-L139 HydrophobicContact CG-CB 4.42Å; F93-L139 HydrophobicContact CG-CD1 4.02Å; F93-L139 HydrophobicContact CZ-CB 4.48Å; F93-L139 HydrophobicContact CZ-CD1 4.4Å; F93-L139 HydrophobicContact CZ-CD2 3.75Å; F93-L139 HydrophobicContact CZ-CG 4.44Å; G135-L139 PolarHBondContact O-N 2.93Å; A136-L139 PolarHBondContact O-N 3.45Å; A137-L139 VanDerWaalsContact C-N 3.31Å; A137-L139 PolarHBondContact O-N 3.19Å; L139-G141 PolarHBondContact O-N 3.46Å |
| 140 | R | 56.5 | Low | 53.5 | Low | 215 Ų | 215 | 84.6 Ų | 84.6 | 81% | 0.811 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -7.7 | -177.8 | -122.3 | 172.3 | -170.2 | 149.4 | 1.6 | 115.3 | A136 A137 | A136-R140 PolarHBondContact O-N 3.14Å; A137-R140 PolarHBondContact O-N 3.48Å |
| 141 | G | 47.1 | Very low | 52.5 | Low | 36 Ų | 36 | 86.6 Ų | 86.6 | 37% | 0.371 | 48% | 0.478 | S | S | . | . | trans | 113.2 | 105.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L139 S143 | L139-G141 PolarHBondContact O-N 3.46Å; G141-S143 PolarHBondContact O-N 3.29Å | ||
| 142 | P | 46.4 | Very low | 51.5 | Low | 30 Ų | 30 | 87.7 Ų | 87.7 | 20% | 0.195 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -78.6 | 10.1 | 172.5 | 30.7 | -33.3 | 0 | 0 | 0 | 113.4 | I138 K144 L145 | I138-P142 WeakPolarHBondContact O-CD 3.43Å; P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.23Å; P142-L145 PolarHBondContact O-N 3.17Å |
| 143 | S | 43.3 | Very low | 50.4 | Low | 43 Ų | 43 | 87.6 Ų | 87.6 | 30% | 0.301 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -72.2 | -11.5 | -169.1 | -52.9 | 0 | 0 | 0 | 0 | 114.8 | R89 G141 | R89-S143 PolarHBondContact NH1-OG 3.23Å; G141-S143 PolarHBondContact O-N 3.29Å |
| 144 | K | 42.5 | Very low | 49.5 | Very low | 191 Ų | 191 | 88 Ų | 88 | 83% | 0.83 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -111.8 | 10.1 | 174.2 | -88.5 | -73 | -171 | -174.9 | 0 | 114.2 | P142 | P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.23Å |
| 145 | L | 42.2 | Very low | 48.9 | Very low | 89 Ų | 89 | 89.7 Ų | 89.7 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -16.7 | -177.2 | -79.2 | 168.4 | 0 | 0 | 0 | 114.6 | P142 A153 | P142-L145 PolarHBondContact O-N 3.17Å; L145-A153 HydrophobicContact CD2-CB 3.7Å |
| 146 | I | 45.4 | Very low | 48.1 | Very low | 129 Ų | 129 | 97.2 Ų | 97.2 | 66% | 0.662 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -102.4 | -25 | -172.5 | -59.8 | 174 | 0 | 0 | 0 | 112.4 | R148 | I146-R148 VanDerWaalsContact C-N 3.34Š|
| 147 | A | 41.9 | Very low | 47.5 | Very low | 97 Ų | 97 | 99.8 Ų | 99.8 | 80% | 0.802 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -79.6 | -15.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 148 | R | 39.2 | Very low | 47.1 | Very low | 201 Ų | 201 | 101.1 Ų | 101.1 | 76% | 0.758 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -152.7 | 101 | 175.6 | -146.4 | 174.5 | -171.1 | -138.9 | 3.1 | 107.8 | I146 T150 | I146-R148 VanDerWaalsContact C-N 3.34Å; R148-T150 PolarHBondContact O-N 3.46Å |
| 149 | P | 42.3 | Very low | 46.6 | Very low | 112 Ų | 112 | 101.9 Ų | 101.9 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | trans | -69.2 | 101.4 | -179.1 | 28.3 | -30.5 | 0 | 0 | 0 | 107.1 | P151 | P149-P151 WeakPolarHBondContact O-CD 3.13Š| ||
| 150 | T | 45.7 | Very low | 46.2 | Very low | 62 Ų | 62 | 101.1 Ų | 101.1 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | trans | -77.5 | 120.9 | 172 | 51.5 | 0 | 0 | 0 | 0 | 107.4 | R148 S152 A153 | R148-T150 PolarHBondContact O-N 3.46Å; T150-S152 WeakPolarHBondContact CB-OG 3.23Å; T150-S152 PolarHBondContact O-N 3.14Å; T150-S152 PolarHBondContact OG1-OG 3.46Å; T150-A153 PolarHBondContact O-N 3.5Å | ||
| 151 | P | 45.2 | Very low | 46.1 | Very low | 103 Ų | 103 | 92.8 Ų | 92.8 | 67% | 0.669 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -55 | -21.1 | -176.6 | 19.2 | -31.4 | 0 | 0 | 0 | 113.2 | P149 A153 V155 | P149-P151 WeakPolarHBondContact O-CD 3.13Å; P151-A153 PolarHBondContact O-N 3.32Å; P151-V155 VanDerWaalsContact O-CB 3.25Å; P151-V155 WeakPolarHBondContact O-CB 3.37Å; P151-V155 WeakPolarHBondContact O-CG2 3.19Å; P151-V155 PolarHBondContact O-N 3.22Å |
| 152 | S | 43.1 | Very low | 46 | Very low | 77 Ų | 77 | 92.7 Ų | 92.7 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.8 | -33 | 173.6 | 51.4 | 0 | 0 | 0 | 0 | 115.2 | T150 Y156 | T150-S152 WeakPolarHBondContact CB-OG 3.23Å; T150-S152 PolarHBondContact O-N 3.14Å; T150-S152 PolarHBondContact OG1-OG 3.46Å; S152-Y156 WeakPolarHBondContact O-CB 3.37Å; S152-Y156 PolarHBondContact O-N 3Å |
| 153 | A | 46.6 | Very low | 46.1 | Very low | 31 Ų | 31 | 95.6 Ų | 95.6 | 26% | 0.256 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -78.4 | -38.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L145 T150 P151 L157 | L145-A153 HydrophobicContact CD2-CB 3.7Å; T150-A153 PolarHBondContact O-N 3.5Å; P151-A153 PolarHBondContact O-N 3.32Å; A153-L157 WeakPolarHBondContact O-CB 3.14Å; A153-L157 PolarHBondContact O-N 3.04Å |
| 154 | L | 48.5 | Very low | 46.1 | Very low | 129 Ų | 129 | 96.1 Ų | 96.1 | 68% | 0.675 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.6 | -39.8 | 173.2 | -154.6 | 80.9 | 0 | 0 | 0 | 110.6 | L157 C158 | L154-L157 PolarHBondContact O-N 3.39Å; L154-C158 VanDerWaalsContact O-CB 3.27Å; L154-C158 WeakPolarHBondContact O-CB 3.38Å; L154-C158 PolarHBondContact O-N 2.95Å |
| 155 | V | 48.8 | Very low | 46.3 | Very low | 99 Ų | 99 | 95.7 Ų | 95.7 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -34.4 | 174.3 | 170 | 0 | 0 | 0 | 0 | 111.8 | P151 S159 | P151-V155 VanDerWaalsContact O-CB 3.25Å; P151-V155 WeakPolarHBondContact O-CB 3.37Å; P151-V155 WeakPolarHBondContact O-CG2 3.19Å; P151-V155 PolarHBondContact O-N 3.22Å; V155-S159 WeakPolarHBondContact O-CA 3.46Å; V155-S159 WeakPolarHBondContact O-CB 3.4Å; V155-S159 PolarHBondContact O-N 3.28Å |
| 156 | Y | 47.3 | Very low | 46.3 | Very low | 158 Ų | 158 | 94 Ų | 94 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.1 | -39.2 | 175.1 | -171.6 | -105 | 0 | 0 | 0 | 112.5 | S152 S159 I160 | S152-Y156 WeakPolarHBondContact O-CB 3.37Å; S152-Y156 PolarHBondContact O-N 3Å; Y156-S159 PolarHBondContact O-N 3.35Å; Y156-I160 HydrophobicContact CD1-CD1 4.18Å; Y156-I160 HydrophobicContact CE1-CD1 3.61Å; Y156-I160 PolarHBondContact O-N 2.95Å |
| 157 | L | 49.9 | Very low | 46.1 | Very low | 107 Ų | 107 | 90.8 Ų | 90.8 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.3 | -43.3 | 173 | -90 | 160.7 | 0 | 0 | 0 | 112.4 | L134 A153 L154 S159 I160 G161 | L134-L157 HydrophobicContact CD1-CD2 4.44Å; A153-L157 WeakPolarHBondContact O-CB 3.14Å; A153-L157 PolarHBondContact O-N 3.04Å; L154-L157 PolarHBondContact O-N 3.39Å; L157-S159 VanDerWaalsContact C-N 3.32Å; L157-I160 PolarHBondContact O-N 3.49Å; L157-G161 PolarHBondContact O-N 3.49Å |
| 158 | C | 52.2 | Low | 46.3 | Very low | 90 Ų | 90 | 91.2 Ų | 91.2 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -31.5 | 171 | -80.6 | 0 | 0 | 0 | 0 | 112.3 | L154 G162 | L154-C158 VanDerWaalsContact O-CB 3.27Å; L154-C158 WeakPolarHBondContact O-CB 3.38Å; L154-C158 PolarHBondContact O-N 2.95Å; C158-G162 WeakPolarHBondContact O-CA 3.49Å; C158-G162 PolarHBondContact O-N 3.47Å |
| 159 | S | 46.2 | Very low | 46.5 | Very low | 66 Ų | 66 | 85.3 Ų | 85.3 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | V155 Y156 L157 T163 | V155-S159 WeakPolarHBondContact O-CA 3.46Å; V155-S159 WeakPolarHBondContact O-CB 3.4Å; V155-S159 PolarHBondContact O-N 3.28Å; Y156-S159 PolarHBondContact O-N 3.35Å; L157-S159 VanDerWaalsContact C-N 3.32Å; S159-T163 WeakPolarHBondContact O-CB 3.4Å; S159-T163 PolarHBondContact O-N 2.88Å; S159-T163 PolarHBondContact O-OG1 3.39Å |
| 160 | I | 50.9 | Low | 46.5 | Very low | 59 Ų | 59 | 86.5 Ų | 86.5 | 30% | 0.303 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.2 | -44.3 | 175.6 | -74.5 | -177.6 | 0 | 0 | 0 | 111.1 | L130 Y156 L157 G162 T163 L164 | L130-I160 HydrophobicContact CD1-CG2 3.75Å; Y156-I160 HydrophobicContact CD1-CD1 4.18Å; Y156-I160 HydrophobicContact CE1-CD1 3.61Å; Y156-I160 PolarHBondContact O-N 2.95Å; L157-I160 PolarHBondContact O-N 3.49Å; I160-G162 VanDerWaalsContact C-N 3.32Å; I160-G162 PolarHBondContact O-N 3.34Å; I160-T163 WeakPolarHBondContact CA-OG1 3.48Å; I160-T163 PolarHBondContact O-N 2.74Å; I160-T163 PolarHBondContact O-OG1 2.99Å; I160-L164 VanDerWaalsContact O-CB 3.27Å; I160-L164 WeakPolarHBondContact O-CB 3.4Å; I160-L164 PolarHBondContact O-N 3.42Å |
| 161 | G | 53.1 | Low | 46.8 | Very low | 39 Ų | 39 | 91.6 Ų | 91.6 | 40% | 0.402 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L157 Y165 | L157-G161 PolarHBondContact O-N 3.49Å; G161-Y165 WeakPolarHBondContact O-CB 2.95Å; G161-Y165 PolarHBondContact O-N 3.05Å |
| 162 | G | 45 | Very low | 46.9 | Very low | 35 Ų | 35 | 90 Ų | 90 | 36% | 0.361 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.7 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C158 I160 L164 Y165 A166 | C158-G162 WeakPolarHBondContact O-CA 3.49Å; C158-G162 PolarHBondContact O-N 3.47Å; I160-G162 VanDerWaalsContact C-N 3.32Å; I160-G162 PolarHBondContact O-N 3.34Å; G162-L164 VanDerWaalsContact C-N 3.31Å; G162-L164 PolarHBondContact O-N 2.9Å; G162-Y165 PolarHBondContact O-N 3.08Å; G162-A166 VanDerWaalsContact O-CB 3.25Å; G162-A166 WeakPolarHBondContact O-CB 3.39Å; G162-A166 PolarHBondContact O-N 3.11Å |
| 163 | T | 48.2 | Very low | 47.2 | Very low | 90 Ų | 90 | 91.9 Ų | 91.9 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -34.5 | 171.6 | 38.3 | 0 | 0 | 0 | 0 | 112 | S159 I160 A167 | S159-T163 WeakPolarHBondContact O-CB 3.4Å; S159-T163 PolarHBondContact O-N 2.88Å; S159-T163 PolarHBondContact O-OG1 3.39Å; I160-T163 WeakPolarHBondContact CA-OG1 3.48Å; I160-T163 PolarHBondContact O-N 2.74Å; I160-T163 PolarHBondContact O-OG1 2.99Å; T163-A167 WeakPolarHBondContact O-CB 2.95Å; T163-A167 PolarHBondContact O-N 2.92Å |
| 164 | L | 44.1 | Very low | 47.2 | Very low | 55 Ų | 55 | 96 Ų | 96 | 29% | 0.288 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -75.5 | -36.4 | 177.6 | -162.8 | 67.1 | 0 | 0 | 0 | 111.4 | L130 I160 G162 L168 | L130-L164 HydrophobicContact CD1-CD2 4.11Å; I160-L164 VanDerWaalsContact O-CB 3.27Å; I160-L164 WeakPolarHBondContact O-CB 3.4Å; I160-L164 PolarHBondContact O-N 3.42Å; G162-L164 VanDerWaalsContact C-N 3.31Å; G162-L164 PolarHBondContact O-N 2.9Å; L164-L168 HydrophobicContact CG-CD1 4.33Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CD1 3.37Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.24Å; L164-L168 VanDerWaalsContact O-N 3.13Å |
| 165 | Y | 45.8 | Very low | 46.9 | Very low | 182 Ų | 182 | 95.4 Ų | 95.4 | 71% | 0.714 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | 173.1 | -175.4 | -101.2 | 0 | 0 | 0 | 112.5 | G161 G162 L168 S169 | G161-Y165 WeakPolarHBondContact O-CB 2.95Å; G161-Y165 PolarHBondContact O-N 3.05Å; G162-Y165 PolarHBondContact O-N 3.08Å; Y165-L168 PolarHBondContact O-N 3.2Å; Y165-S169 PolarHBondContact O-N 2.92Å; Y165-S169 PolarHBondContact O-OG 3.4Å |
| 166 | A | 43.8 | Very low | 46.8 | Very low | 54 Ų | 54 | 94.6 Ų | 94.6 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.2 | -32.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | G162 L168 S169 | G162-A166 VanDerWaalsContact O-CB 3.25Å; G162-A166 WeakPolarHBondContact O-CB 3.39Å; G162-A166 PolarHBondContact O-N 3.11Å; A166-L168 VanDerWaalsContact C-N 3.32Å; A166-S169 PolarHBondContact O-OG 2.97Å |
| 167 | A | 40.3 | Very low | 46.8 | Very low | 60 Ų | 60 | 89.8 Ų | 89.8 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.8 | -24.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | T163 | T163-A167 WeakPolarHBondContact O-CB 2.95Å; T163-A167 PolarHBondContact O-N 2.92Å |
| 168 | L | 46.8 | Very low | 46.8 | Very low | 107 Ų | 107 | 88.6 Ų | 88.6 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -88.8 | -14.5 | 179.1 | -71.8 | 173.3 | 0 | 0 | 0 | 114 | L123 L164 Y165 A166 | L123-L168 HydrophobicContact CD2-CD1 4.49Å; L123-L168 HydrophobicContact CD2-CD2 3.23Å; L123-L168 HydrophobicContact CD2-CG 4.49Å; L164-L168 HydrophobicContact CG-CD1 4.33Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CD1 3.37Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.24Å; L164-L168 VanDerWaalsContact O-N 3.13Å; Y165-L168 PolarHBondContact O-N 3.2Å; A166-L168 VanDerWaalsContact C-N 3.32Å |
| 169 | S | 43.5 | Very low | 46.4 | Very low | 76 Ų | 76 | 85.8 Ų | 85.8 | 53% | 0.531 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -93.7 | -10.7 | -176 | 60.3 | 0 | 0 | 0 | 0 | 115.5 | Y165 A166 | Y165-S169 PolarHBondContact O-N 2.92Å; Y165-S169 PolarHBondContact O-OG 3.4Å; A166-S169 PolarHBondContact O-OG 2.97Å |
| 170 | L | 42.4 | Very low | 46.4 | Very low | 138 Ų | 138 | 85 Ų | 85 | 72% | 0.723 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -114.6 | 63.3 | -177.5 | -88.3 | 141.7 | 0 | 0 | 0 | 113.5 | S172 | L170-S172 VanDerWaalsContact C-N 3.35Å; L170-S172 PolarHBondContact O-N 3.37Å |
| 171 | H | 50.6 | Low | 46.4 | Very low | 168 Ų | 168 | 87.7 Ų | 87.7 | 78% | 0.778 | 53% | 0.527 | S | S | * | . | trans | 17 | 49.7 | 142.8 | -156 | -111.6 | 0 | 0 | 0 | 120.5 | ||||
| 172 | S | 48.2 | Very low | 46.3 | Very low | 69 Ų | 69 | 89.8 Ų | 89.8 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | trans | -150 | 126.9 | 172.3 | -167.1 | 0 | 0 | 0 | 0 | 114.3 | L170 I174 L175 | L170-S172 VanDerWaalsContact C-N 3.35Å; L170-S172 PolarHBondContact O-N 3.37Å; S172-I174 PolarHBondContact O-N 2.82Å; S172-I174 VanDerWaalsContact O-N 3.15Å; S172-L175 PolarHBondContact O-N 3.47Å | ||
| 173 | T | 48.4 | Very low | 46.4 | Very low | 118 Ų | 118 | 91.1 Ų | 91.1 | 72% | 0.724 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -17.7 | -176.6 | 42.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 174 | I | 46.7 | Very low | 46.6 | Very low | 118 Ų | 118 | 91.2 Ų | 91.2 | 61% | 0.605 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.2 | -34.4 | -177 | -62.9 | 178 | 0 | 0 | 0 | 111.5 | S172 T176 A177 V178 | S172-I174 PolarHBondContact O-N 2.82Å; S172-I174 VanDerWaalsContact O-N 3.15Å; I174-T176 VanDerWaalsContact C-N 3.29Å; I174-T176 PolarHBondContact O-N 3.04Å; I174-A177 PolarHBondContact O-N 2.99Å; I174-V178 WeakPolarHBondContact O-CG2 3.4Å; I174-V178 PolarHBondContact O-N 2.91Å |
| 175 | L | 43.1 | Very low | 46.9 | Very low | 116 Ų | 116 | 91.5 Ų | 91.5 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.2 | -31 | -179.5 | -122.1 | 73.9 | 0 | 0 | 0 | 112.3 | S172 V178 G179 | S172-L175 PolarHBondContact O-N 3.47Å; L175-V178 PolarHBondContact O-N 2.95Å; L175-G179 PolarHBondContact O-N 3.32Å |
| 176 | T | 45.8 | Very low | 47.2 | Very low | 82 Ų | 82 | 87.4 Ų | 87.4 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 178 | -25.8 | 0 | 0 | 0 | 0 | 112 | A122 I174 G179 A180 | A122-T176 HydrophobicContact CB-CG2 4Å; I174-T176 VanDerWaalsContact C-N 3.29Å; I174-T176 PolarHBondContact O-N 3.04Å; T176-G179 PolarHBondContact O-N 2.86Å; T176-A180 PolarHBondContact O-N 3.29Å; T176-A180 VanDerWaalsContact O-N 3.11Å |
| 177 | A | 48.5 | Very low | 47.9 | Very low | 57 Ų | 57 | 89.5 Ų | 89.5 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I174 A180 I181 | I174-A177 PolarHBondContact O-N 2.99Å; A177-A180 PolarHBondContact O-N 2.97Å; A177-I181 WeakPolarHBondContact O-CG1 3.35Å; A177-I181 PolarHBondContact O-N 3.45Å; A177-I181 VanDerWaalsContact O-N 3.16Å |
| 178 | V | 48.4 | Very low | 48.7 | Very low | 81 Ų | 81 | 90.6 Ų | 90.6 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 111 | I174 L175 A180 I181 V182 | I174-V178 WeakPolarHBondContact O-CG2 3.4Å; I174-V178 PolarHBondContact O-N 2.91Å; L175-V178 PolarHBondContact O-N 2.95Å; V178-A180 PolarHBondContact O-N 3.45Å; V178-I181 PolarHBondContact O-N 2.92Å; V178-V182 WeakPolarHBondContact O-CG2 3.19Å; V178-V182 PolarHBondContact O-N 2.88Å |
| 179 | G | 44.3 | Very low | 49.3 | Very low | 31 Ų | 31 | 87 Ų | 87 | 32% | 0.32 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L175 T176 I181 V182 Q183 | L175-G179 PolarHBondContact O-N 3.32Å; T176-G179 PolarHBondContact O-N 2.86Å; G179-I181 PolarHBondContact O-N 2.89Å; G179-V182 PolarHBondContact O-N 2.81Å; G179-Q183 PolarHBondContact O-N 2.97Å; G179-Q183 PolarHBondContact O-OE1 3.17Å; G179-Q183 VanDerWaalsContact O-OE1 3.08Å |
| 180 | A | 46.3 | Very low | 49.9 | Very low | 49 Ų | 49 | 90.5 Ų | 90.5 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | T176 A177 V178 Q183 V184 | T176-A180 PolarHBondContact O-N 3.29Å; T176-A180 VanDerWaalsContact O-N 3.11Å; A177-A180 PolarHBondContact O-N 2.97Å; V178-A180 PolarHBondContact O-N 3.45Å; A180-Q183 PolarHBondContact O-N 2.87Å; A180-V184 WeakPolarHBondContact O-CG2 3.28Å; A180-V184 PolarHBondContact O-N 3.43Å |
| 181 | I | 50.9 | Low | 50.4 | Low | 117 Ų | 117 | 88.7 Ų | 88.7 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 176.3 | -67 | 165.5 | 0 | 0 | 0 | 110.8 | A177 V178 G179 Q183 V184 A185 | A177-I181 WeakPolarHBondContact O-CG1 3.35Å; A177-I181 PolarHBondContact O-N 3.45Å; A177-I181 VanDerWaalsContact O-N 3.16Å; V178-I181 PolarHBondContact O-N 2.92Å; G179-I181 PolarHBondContact O-N 2.89Å; I181-Q183 VanDerWaalsContact C-N 3.33Å; I181-Q183 PolarHBondContact O-N 3.09Å; I181-V184 PolarHBondContact O-N 3.47Å; I181-A185 PolarHBondContact O-N 3.49Å |
| 182 | V | 52 | Low | 50.6 | Low | 83 Ų | 83 | 84 Ų | 84 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 178 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | V178 G179 A185 V186 | V178-V182 WeakPolarHBondContact O-CG2 3.19Å; V178-V182 PolarHBondContact O-N 2.88Å; G179-V182 PolarHBondContact O-N 2.81Å; V182-A185 WeakPolarHBondContact O-CB 3.4Å; V182-A185 PolarHBondContact O-N 2.79Å; V182-V186 VanDerWaalsContact O-CG2 3.31Å; V182-V186 WeakPolarHBondContact O-CG2 3.49Å; V182-V186 PolarHBondContact O-N 3.06Å |
| 183 | Q | 45.8 | Very low | 50.8 | Low | 62 Ų | 62 | 85.3 Ų | 85.3 | 29% | 0.29 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.7 | -36.8 | 175.6 | -90.4 | 152.1 | -33.8 | 0 | 0 | 114.1 | W125 G179 A180 I181 A185 V186 I187 | W125-Q183 HydrophobicContact CH2-CB 4.02Å; W125-Q183 HydrophobicContact CH2-CG 3.84Å; W125-Q183 HydrophobicContact CZ3-CG 4.44Å; G179-Q183 PolarHBondContact O-N 2.97Å; G179-Q183 PolarHBondContact O-OE1 3.17Å; G179-Q183 VanDerWaalsContact O-OE1 3.08Å; A180-Q183 PolarHBondContact O-N 2.87Å; I181-Q183 VanDerWaalsContact C-N 3.33Å; I181-Q183 PolarHBondContact O-N 3.09Å; Q183-A185 VanDerWaalsContact C-N 3.31Å; Q183-V186 PolarHBondContact O-N 2.85Å; Q183-I187 VanDerWaalsContact O-CG1 3.28Å; Q183-I187 WeakPolarHBondContact O-CG1 3.44Å; Q183-I187 PolarHBondContact O-N 3.19Å |
| 184 | V | 52.5 | Low | 50.9 | Low | 93 Ų | 93 | 84.3 Ų | 84.3 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 170.5 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | A180 I181 V186 I187 V188 | A180-V184 WeakPolarHBondContact O-CG2 3.28Å; A180-V184 PolarHBondContact O-N 3.43Å; I181-V184 PolarHBondContact O-N 3.47Å; V184-V186 PolarHBondContact O-N 3.41Å; V184-I187 PolarHBondContact O-N 2.94Å; V184-V188 HydrophobicContact CG1-CG2 4.41Å; V184-V188 VanDerWaalsContact O-CG2 3.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.37Å; V184-V188 PolarHBondContact O-N 3.18Å |
| 185 | A | 49.9 | Very low | 51.1 | Low | 61 Ų | 61 | 83 Ų | 83 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I181 V182 Q183 G189 | I181-A185 PolarHBondContact O-N 3.49Å; V182-A185 WeakPolarHBondContact O-CB 3.4Å; V182-A185 PolarHBondContact O-N 2.79Å; Q183-A185 VanDerWaalsContact C-N 3.31Å; A185-G189 PolarHBondContact O-N 3.23Å |
| 186 | V | 53.6 | Low | 51.2 | Low | 96 Ų | 96 | 84.1 Ų | 84.1 | 58% | 0.582 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.1 | -39.5 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | V182 Q183 V184 G189 Y190 | V182-V186 VanDerWaalsContact O-CG2 3.31Å; V182-V186 WeakPolarHBondContact O-CG2 3.49Å; V182-V186 PolarHBondContact O-N 3.06Å; Q183-V186 PolarHBondContact O-N 2.85Å; V184-V186 PolarHBondContact O-N 3.41Å; V186-G189 PolarHBondContact O-N 3.47Å; V186-Y190 VanDerWaalsContact O-CB 3.26Å; V186-Y190 WeakPolarHBondContact O-CB 3.44Å; V186-Y190 PolarHBondContact O-N 3.49Å |
| 187 | I | 57.1 | Low | 51.3 | Low | 98 Ų | 98 | 82 Ų | 82 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 175.3 | -70.1 | 166.5 | 0 | 0 | 0 | 110.6 | Q183 V184 Y190 I191 | Q183-I187 VanDerWaalsContact O-CG1 3.28Å; Q183-I187 WeakPolarHBondContact O-CG1 3.44Å; Q183-I187 PolarHBondContact O-N 3.19Å; V184-I187 PolarHBondContact O-N 2.94Å; I187-Y190 PolarHBondContact O-N 2.85Å; I187-I191 HydrophobicContact CG2-CD1 4.05Å; I187-I191 WeakPolarHBondContact O-CG1 3.44Å; I187-I191 PolarHBondContact O-N 3.46Å |
| 188 | V | 58.3 | Low | 51.5 | Low | 82 Ų | 82 | 79.9 Ų | 79.9 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | V184 Y190 I191 V192 | V184-V188 HydrophobicContact CG1-CG2 4.41Å; V184-V188 VanDerWaalsContact O-CG2 3.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.37Å; V184-V188 PolarHBondContact O-N 3.18Å; V188-Y190 VanDerWaalsContact C-N 3.28Å; V188-Y190 PolarHBondContact O-N 3.35Å; V188-I191 PolarHBondContact O-N 2.84Å; V188-V192 WeakPolarHBondContact O-CB 3.35Å; V188-V192 WeakPolarHBondContact O-CG2 3.42Å; V188-V192 PolarHBondContact O-N 3.19Å |
| 189 | G | 59 | Low | 51.7 | Low | 32 Ų | 32 | 80.4 Ų | 80.4 | 33% | 0.33 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -35 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A185 V186 V192 S193 | A185-G189 PolarHBondContact O-N 3.23Å; V186-G189 PolarHBondContact O-N 3.47Å; G189-V192 PolarHBondContact O-N 3.48Å; G189-S193 WeakPolarHBondContact O-CB 3.49Å; G189-S193 PolarHBondContact O-N 2.92Å; G189-S193 PolarHBondContact O-OG 2.97Å |
| 190 | Y | 55 | Low | 52 | Low | 150 Ų | 150 | 81.9 Ų | 81.9 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.7 | -41.5 | 177 | -169.2 | -116.8 | 0 | 0 | 0 | 111.7 | V186 I187 V188 V192 S193 L194 | V186-Y190 VanDerWaalsContact O-CB 3.26Å; V186-Y190 WeakPolarHBondContact O-CB 3.44Å; V186-Y190 PolarHBondContact O-N 3.49Å; I187-Y190 PolarHBondContact O-N 2.85Å; V188-Y190 VanDerWaalsContact C-N 3.28Å; V188-Y190 PolarHBondContact O-N 3.35Å; Y190-V192 VanDerWaalsContact C-N 3.29Å; Y190-V192 PolarHBondContact O-N 3.29Å; Y190-S193 CarbonylContact O-C 3.41Å; Y190-S193 PolarHBondContact O-N 3.35Å; Y190-S193 VanDerWaalsContact O-N 3.14Å; Y190-L194 HydrophobicContact CD1-CD1 3.3Å; Y190-L194 HydrophobicContact CD1-CG 4.1Å; Y190-L194 HydrophobicContact CE1-CD1 3.23Å; Y190-L194 HydrophobicContact CE1-CD2 4.25Å; Y190-L194 HydrophobicContact CE1-CG 3.91Å; Y190-L194 HydrophobicContact CE2-CD1 4.46Å; Y190-L194 HydrophobicContact CE2-CG 4.31Å; Y190-L194 HydrophobicContact CG-CD1 3.99Å; Y190-L194 HydrophobicContact CG-CG 4.39Å; Y190-L194 VanDerWaalsContact O-CB 3.24Å; Y190-L194 WeakPolarHBondContact O-CB 3.38Å; Y190-L194 WeakPolarHBondContact O-CD1 3.44Å; Y190-L194 WeakPolarHBondContact O-CG 3.41Å; Y190-L194 PolarHBondContact O-N 3.45Å |
| 191 | I | 55 | Low | 52.5 | Low | 99 Ų | 99 | 80.9 Ų | 80.9 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 171.5 | -70.2 | 174.2 | 0 | 0 | 0 | 110.7 | I187 V188 S193 L194 L195 | I187-I191 HydrophobicContact CG2-CD1 4.05Å; I187-I191 WeakPolarHBondContact O-CG1 3.44Å; I187-I191 PolarHBondContact O-N 3.46Å; V188-I191 PolarHBondContact O-N 2.84Å; I191-S193 VanDerWaalsContact C-N 3.31Å; I191-S193 PolarHBondContact O-N 3.48Å; I191-L194 PolarHBondContact O-N 2.86Å; I191-L195 PolarHBondContact O-N 3.38Å |
| 192 | V | 53.3 | Low | 53 | Low | 70 Ų | 70 | 80.8 Ų | 80.8 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | V188 G189 Y190 | V188-V192 WeakPolarHBondContact O-CB 3.35Å; V188-V192 WeakPolarHBondContact O-CG2 3.42Å; V188-V192 PolarHBondContact O-N 3.19Å; G189-V192 PolarHBondContact O-N 3.48Å; Y190-V192 VanDerWaalsContact C-N 3.29Å; Y190-V192 PolarHBondContact O-N 3.29Å |
| 193 | S | 52.4 | Low | 53.3 | Low | 96 Ų | 96 | 86.7 Ų | 86.7 | 67% | 0.671 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -82.3 | -23.1 | 179.5 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | G189 Y190 I191 L195 | G189-S193 WeakPolarHBondContact O-CB 3.49Å; G189-S193 PolarHBondContact O-N 2.92Å; G189-S193 PolarHBondContact O-OG 2.97Å; Y190-S193 CarbonylContact O-C 3.41Å; Y190-S193 PolarHBondContact O-N 3.35Å; Y190-S193 VanDerWaalsContact O-N 3.14Å; I191-S193 VanDerWaalsContact C-N 3.31Å; I191-S193 PolarHBondContact O-N 3.48Å; S193-L195 VanDerWaalsContact C-N 3.3Å |
| 194 | L | 51.5 | Low | 54.1 | Low | 97 Ų | 97 | 90.8 Ų | 90.8 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -80.8 | -8.2 | 175.5 | -81.5 | 164.7 | 0 | 0 | 0 | 113.3 | Y190 I191 P196 | Y190-L194 HydrophobicContact CD1-CD1 3.3Å; Y190-L194 HydrophobicContact CD1-CG 4.1Å; Y190-L194 HydrophobicContact CE1-CD1 3.23Å; Y190-L194 HydrophobicContact CE1-CD2 4.25Å; Y190-L194 HydrophobicContact CE1-CG 3.91Å; Y190-L194 HydrophobicContact CE2-CD1 4.46Å; Y190-L194 HydrophobicContact CE2-CG 4.31Å; Y190-L194 HydrophobicContact CG-CD1 3.99Å; Y190-L194 HydrophobicContact CG-CG 4.39Å; Y190-L194 VanDerWaalsContact O-CB 3.24Å; Y190-L194 WeakPolarHBondContact O-CB 3.38Å; Y190-L194 WeakPolarHBondContact O-CD1 3.44Å; Y190-L194 WeakPolarHBondContact O-CG 3.41Å; Y190-L194 PolarHBondContact O-N 3.45Å; I191-L194 PolarHBondContact O-N 2.86Å; L194-P196 WeakPolarHBondContact O-CD 3.4Å |
| 195 | L | 49.6 | Very low | 54.7 | Low | 91 Ų | 91 | 93.2 Ų | 93.2 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | trans | -87.1 | 99.9 | 167.5 | -70.9 | 164.1 | 0 | 0 | 0 | 108.1 | I191 S193 G197 G198 | I191-L195 PolarHBondContact O-N 3.38Å; S193-L195 VanDerWaalsContact C-N 3.3Å; L195-G197 PolarHBondContact O-N 2.77Å; L195-G198 PolarHBondContact O-N 3.45Å; L195-G198 VanDerWaalsContact O-N 3.08Å | ||
| 196 | P | 45.4 | Very low | 55.7 | Low | 140 Ų | 140 | 92 Ų | 92 | 91% | 0.909 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 67.2 | 165.6 | 30.7 | -35.5 | 0 | 0 | 0 | 109.2 | L194 | L194-P196 WeakPolarHBondContact O-CD 3.4Š|
| 197 | G | 48.1 | Very low | 56.3 | Low | 36 Ų | 36 | 89 Ų | 89 | 37% | 0.371 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 152.1 | 17.9 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L195 S199 A200 G201 | L195-G197 PolarHBondContact O-N 2.77Å; G197-S199 PolarHBondContact O-N 2.95Å; G197-S199 VanDerWaalsContact O-N 3.1Å; G197-A200 WeakPolarHBondContact O-CA 3.44Å; G197-A200 WeakPolarHBondContact O-CB 3.29Å; G197-A200 PolarHBondContact O-N 3.42Å; G197-G201 PolarHBondContact O-N 2.83Å |
| 198 | G | 52.7 | Low | 56.8 | Low | 13 Ų | 13 | 89.8 Ų | 89.8 | 13% | 0.134 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -53.4 | -31.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L195 I202 | L195-G198 PolarHBondContact O-N 3.45Å; L195-G198 VanDerWaalsContact O-N 3.08Å; G198-I202 WeakPolarHBondContact O-CB 3.24Å; G198-I202 WeakPolarHBondContact O-CD1 3.39Å; G198-I202 WeakPolarHBondContact O-CG1 3.12Å; G198-I202 PolarHBondContact O-N 2.83Å; G198-I202 VanDerWaalsContact O-N 3.11Å |
| 199 | S | 52.2 | Low | 57.5 | Low | 92 Ų | 92 | 88.2 Ų | 88.2 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.2 | -30.7 | 172.2 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | G197 R203 | G197-S199 PolarHBondContact O-N 2.95Å; G197-S199 VanDerWaalsContact O-N 3.1Å; S199-R203 VanDerWaalsContact O-CB 3.27Å; S199-R203 WeakPolarHBondContact O-CB 3.33Å; S199-R203 WeakPolarHBondContact O-CG 3.33Å; S199-R203 PolarHBondContact O-N 3.01Å |
| 200 | A | 51.3 | Low | 57.9 | Low | 62 Ų | 62 | 90.7 Ų | 90.7 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -77.5 | -38.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G197 R203 F204 | G197-A200 WeakPolarHBondContact O-CA 3.44Å; G197-A200 WeakPolarHBondContact O-CB 3.29Å; G197-A200 PolarHBondContact O-N 3.42Å; A200-R203 PolarHBondContact O-N 3.19Å; A200-F204 WeakPolarHBondContact O-CB 3.36Å; A200-F204 PolarHBondContact O-N 3.18Å |
| 201 | G | 56.9 | Low | 58.2 | Low | 29 Ų | 29 | 86.2 Ų | 86.2 | 30% | 0.299 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | G197 R203 F204 M205 | G197-G201 PolarHBondContact O-N 2.83Å; G201-R203 VanDerWaalsContact C-N 3.31Å; G201-R203 PolarHBondContact O-N 2.98Å; G201-F204 PolarHBondContact O-N 2.93Å; G201-M205 PolarHBondContact O-N 2.94Å |
| 202 | I | 61.1 | Low | 58.8 | Low | 115 Ų | 115 | 83.9 Ų | 83.9 | 59% | 0.59 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -35.6 | 175.2 | -62.9 | 166.3 | 0 | 0 | 0 | 110.6 | G198 G206 | G198-I202 WeakPolarHBondContact O-CB 3.24Å; G198-I202 WeakPolarHBondContact O-CD1 3.39Å; G198-I202 WeakPolarHBondContact O-CG1 3.12Å; G198-I202 PolarHBondContact O-N 2.83Å; G198-I202 VanDerWaalsContact O-N 3.11Å; I202-G206 WeakPolarHBondContact O-CA 3.44Å; I202-G206 PolarHBondContact O-N 3.07Å |
| 203 | R | 57.8 | Low | 59.6 | Low | 206 Ų | 206 | 85.7 Ų | 85.7 | 78% | 0.777 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73 | -31.8 | 174.8 | -78.8 | -174 | 156.2 | 167.7 | -2.5 | 113.8 | S199 A200 G201 G207 | S199-R203 VanDerWaalsContact O-CB 3.27Å; S199-R203 WeakPolarHBondContact O-CB 3.33Å; S199-R203 WeakPolarHBondContact O-CG 3.33Å; S199-R203 PolarHBondContact O-N 3.01Å; A200-R203 PolarHBondContact O-N 3.19Å; G201-R203 VanDerWaalsContact C-N 3.31Å; G201-R203 PolarHBondContact O-N 2.98Å; R203-G207 WeakPolarHBondContact O-CA 3.28Å; R203-G207 PolarHBondContact O-N 3.4Å |
| 204 | F | 62.6 | Low | 60 | Low | 148 Ų | 148 | 88 Ų | 88 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.8 | -47.8 | 176.1 | -169 | -99.3 | 0 | 0 | 0 | 111.4 | A200 G201 G207 M208 | A200-F204 WeakPolarHBondContact O-CB 3.36Å; A200-F204 PolarHBondContact O-N 3.18Å; G201-F204 PolarHBondContact O-N 2.93Å; F204-G207 PolarHBondContact O-N 2.92Å; F204-M208 HydrophobicContact CD1-CG 4.48Å; F204-M208 HydrophobicContact CD1-SD 3.89Å; F204-M208 HydrophobicContact CE1-CG 4.29Å; F204-M208 HydrophobicContact CE1-SD 3.35Å; F204-M208 WeakPolarHBondContact CE1-SD 3.46Å; F204-M208 HydrophobicContact CZ-SD 3.89Å; F204-M208 WeakPolarHBondContact O-CB 3.46Å; F204-M208 WeakPolarHBondContact O-CG 3.23Å; F204-M208 PolarHBondContact O-N 2.96Å |
| 205 | M | 65.8 | Low | 60.3 | Low | 145 Ų | 145 | 92.9 Ų | 92.9 | 71% | 0.714 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 173.6 | -87.5 | 173.3 | 51 | 0 | 0 | 112.3 | G201 M208 A209 | G201-M205 PolarHBondContact O-N 2.94Å; M205-M208 PolarHBondContact O-N 3.35Å; M205-A209 WeakPolarHBondContact O-CB 3.39Å; M205-A209 PolarHBondContact O-N 3.41Å |
| 206 | G | 71.1 | Confident | 60.8 | Low | 34 Ų | 34 | 93.9 Ų | 93.9 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I202 A209 V210 | I202-G206 WeakPolarHBondContact O-CA 3.44Å; I202-G206 PolarHBondContact O-N 3.07Å; G206-A209 PolarHBondContact O-N 3.13Å; G206-V210 WeakPolarHBondContact O-CB 3.37Å; G206-V210 VanDerWaalsContact O-CG2 3.23Å; G206-V210 WeakPolarHBondContact O-CG2 3.45Å; G206-V210 PolarHBondContact O-N 3Å |
| 207 | G | 65.8 | Low | 61.3 | Low | 34 Ų | 34 | 91.8 Ų | 91.8 | 35% | 0.351 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R203 F204 S211 | R203-G207 WeakPolarHBondContact O-CA 3.28Å; R203-G207 PolarHBondContact O-N 3.4Å; F204-G207 PolarHBondContact O-N 2.92Å; G207-S211 WeakPolarHBondContact O-CB 3.15Å; G207-S211 PolarHBondContact O-N 3.05Å; G207-S211 PolarHBondContact O-OG 2.98Å |
| 208 | M | 68.3 | Low | 61.6 | Low | 115 Ų | 115 | 94.6 Ų | 94.6 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.3 | -39.8 | 175.1 | -72.4 | -173 | 79.1 | 0 | 0 | 112.1 | F204 M205 S211 A212 | F204-M208 HydrophobicContact CD1-CG 4.48Å; F204-M208 HydrophobicContact CD1-SD 3.89Å; F204-M208 HydrophobicContact CE1-CG 4.29Å; F204-M208 HydrophobicContact CE1-SD 3.35Å; F204-M208 WeakPolarHBondContact CE1-SD 3.46Å; F204-M208 HydrophobicContact CZ-SD 3.89Å; F204-M208 WeakPolarHBondContact O-CB 3.46Å; F204-M208 WeakPolarHBondContact O-CG 3.23Å; F204-M208 PolarHBondContact O-N 2.96Å; M205-M208 PolarHBondContact O-N 3.35Å; M208-S211 PolarHBondContact O-N 3.36Å; M208-A212 VanDerWaalsContact O-CB 3.3Å; M208-A212 WeakPolarHBondContact O-CB 3.37Å; M208-A212 PolarHBondContact O-N 3.47Å |
| 209 | A | 71.7 | Confident | 61.6 | Low | 49 Ų | 49 | 97.5 Ų | 97.5 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M205 G206 S211 A212 I213 | M205-A209 WeakPolarHBondContact O-CB 3.39Å; M205-A209 PolarHBondContact O-N 3.41Å; G206-A209 PolarHBondContact O-N 3.13Å; A209-S211 VanDerWaalsContact C-N 3.33Å; A209-S211 PolarHBondContact O-N 3.47Å; A209-A212 PolarHBondContact O-N 3.42Å; A209-I213 WeakPolarHBondContact O-CB 3.39Å; A209-I213 WeakPolarHBondContact O-CD1 3.41Å; A209-I213 VanDerWaalsContact O-CG1 3.22Å; A209-I213 WeakPolarHBondContact O-CG1 3.44Å; A209-I213 PolarHBondContact O-N 3.3Å |
| 210 | V | 69.3 | Low | 61.6 | Low | 83 Ų | 83 | 101.9 Ų | 101.9 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -36.4 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | G206 K214 | G206-V210 WeakPolarHBondContact O-CB 3.37Å; G206-V210 VanDerWaalsContact O-CG2 3.23Å; G206-V210 WeakPolarHBondContact O-CG2 3.45Å; G206-V210 PolarHBondContact O-N 3Å; V210-K214 VanDerWaalsContact O-CB 3.31Å; V210-K214 WeakPolarHBondContact O-CB 3.41Å; V210-K214 PolarHBondContact O-N 3.32Å |
| 211 | S | 60.3 | Low | 61.5 | Low | 56 Ų | 56 | 104.1 Ų | 104.1 | 39% | 0.392 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.9 | -35.6 | 175.8 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | G207 M208 A209 R215 | G207-S211 WeakPolarHBondContact O-CB 3.15Å; G207-S211 PolarHBondContact O-N 3.05Å; G207-S211 PolarHBondContact O-OG 2.98Å; M208-S211 PolarHBondContact O-N 3.36Å; A209-S211 VanDerWaalsContact C-N 3.33Å; A209-S211 PolarHBondContact O-N 3.47Å; S211-R215 WeakPolarHBondContact O-CB 3.25Å; S211-R215 VanDerWaalsContact O-CG 3.24Å; S211-R215 WeakPolarHBondContact O-CG 3.34Å; S211-R215 PolarHBondContact O-N 2.95Å |
| 212 | A | 68.1 | Low | 61.1 | Low | 50 Ų | 50 | 110.7 Ų | 110.7 | 41% | 0.413 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.6 | -44.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M208 A209 R215 T216 | M208-A212 VanDerWaalsContact O-CB 3.3Å; M208-A212 WeakPolarHBondContact O-CB 3.37Å; M208-A212 PolarHBondContact O-N 3.47Å; A209-A212 PolarHBondContact O-N 3.42Å; A212-R215 PolarHBondContact O-N 2.95Å; A212-T216 PolarHBondContact O-N 3.25Å; A212-T216 PolarHBondContact O-OG1 2.96Å |
| 213 | I | 69.1 | Low | 60.6 | Low | 108 Ų | 108 | 111.5 Ų | 111.5 | 55% | 0.554 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.1 | -42.9 | 177.1 | -64.5 | 163.5 | 0 | 0 | 0 | 110.8 | A209 R215 T216 V217 | A209-I213 WeakPolarHBondContact O-CB 3.39Å; A209-I213 WeakPolarHBondContact O-CD1 3.41Å; A209-I213 VanDerWaalsContact O-CG1 3.22Å; A209-I213 WeakPolarHBondContact O-CG1 3.44Å; A209-I213 PolarHBondContact O-N 3.3Å; I213-R215 VanDerWaalsContact C-N 3.34Å; I213-R215 PolarHBondContact O-N 3.12Å; I213-T216 PolarHBondContact O-N 2.98Å; I213-V217 HydrophobicContact CG2-CG2 4.26Å; I213-V217 WeakPolarHBondContact O-CB 3.47Å; I213-V217 VanDerWaalsContact O-CG2 3.32Å; I213-V217 WeakPolarHBondContact O-CG2 3.3Å; I213-V217 PolarHBondContact O-N 3.28Å |
| 214 | K | 62.3 | Low | 60.3 | Low | 145 Ų | 145 | 113 Ų | 113 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62 | -38.2 | 174.6 | -88.8 | -163.8 | 176.2 | -144.9 | 0 | 112.5 | V210 T218 | V210-K214 VanDerWaalsContact O-CB 3.31Å; V210-K214 WeakPolarHBondContact O-CB 3.41Å; V210-K214 PolarHBondContact O-N 3.32Å; K214-T218 WeakPolarHBondContact O-CB 3.41Å; K214-T218 PolarHBondContact O-N 3.38Å; K214-T218 PolarHBondContact O-OG1 3.12Å |
| 215 | R | 56.7 | Low | 60.2 | Low | 199 Ų | 199 | 111.3 Ų | 111.3 | 75% | 0.751 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 175.4 | -77.4 | 175.5 | -177.5 | 158.6 | 1.5 | 112 | S211 A212 I213 G219 | S211-R215 WeakPolarHBondContact O-CB 3.25Å; S211-R215 VanDerWaalsContact O-CG 3.24Å; S211-R215 WeakPolarHBondContact O-CG 3.34Å; S211-R215 PolarHBondContact O-N 2.95Å; A212-R215 PolarHBondContact O-N 2.95Å; I213-R215 VanDerWaalsContact C-N 3.34Å; I213-R215 PolarHBondContact O-N 3.12Å; R215-G219 PolarHBondContact O-N 2.77Å; R215-G219 VanDerWaalsContact O-N 3.09Å |
| 216 | T | 60 | Low | 59.9 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.8 | -30.9 | 178.2 | -48.5 | 0 | 0 | 0 | 0 | 112.8 | A212 I213 | A212-T216 PolarHBondContact O-N 3.25Å; A212-T216 PolarHBondContact O-OG1 2.96Å; I213-T216 PolarHBondContact O-N 2.98Å |
| 217 | V | 56.8 | Low | 59.2 | Low | 97 Ų | 97 | 113.7 Ų | 113.7 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -85.2 | -34.5 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | I213 K220 | I213-V217 HydrophobicContact CG2-CG2 4.26Å; I213-V217 WeakPolarHBondContact O-CB 3.47Å; I213-V217 VanDerWaalsContact O-CG2 3.32Å; I213-V217 WeakPolarHBondContact O-CG2 3.3Å; I213-V217 PolarHBondContact O-N 3.28Å; V217-K220 PolarHBondContact O-N 3.04Å |
| 218 | T | 53.3 | Low | 58.9 | Low | 95 Ų | 95 | 118.4 Ų | 118.4 | 58% | 0.583 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.6 | -26.5 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | K214 K220 T221 | K214-T218 WeakPolarHBondContact O-CB 3.41Å; K214-T218 PolarHBondContact O-N 3.38Å; K214-T218 PolarHBondContact O-OG1 3.12Å; T218-K220 PolarHBondContact O-N 3.33Å; T218-K220 VanDerWaalsContact O-N 3.12Å; T218-T221 PolarHBondContact O-N 2.89Å |
| 219 | G | 53.4 | Low | 58.3 | Low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -7.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R215 | R215-G219 PolarHBondContact O-N 2.77Å; R215-G219 VanDerWaalsContact O-N 3.09Å |
| 220 | K | 51.6 | Low | 57.4 | Low | 185 Ų | 185 | 123.2 Ų | 123.2 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 11.6 | -177.1 | -152.7 | 157.5 | -173.7 | 161 | 0 | 114.3 | V217 T218 | V217-K220 PolarHBondContact O-N 3.04Å; T218-K220 PolarHBondContact O-N 3.33Å; T218-K220 VanDerWaalsContact O-N 3.12Å |
| 221 | T | 50.3 | Low | 56.5 | Low | 108 Ų | 108 | 126.1 Ų | 126.1 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | trans | -115.4 | 93.2 | 166.3 | 18.1 | 0 | 0 | 0 | 0 | 108.5 | T218 | T218-T221 PolarHBondContact O-N 2.89Š| ||
| 222 | M | 48.6 | Very low | 56.2 | Low | 168 Ų | 168 | 131.5 Ų | 131.5 | 83% | 0.828 | 72% | 0.717 | S | S | * | * | trans | -58 | 141.5 | 168.3 | -66.4 | -173.9 | 176.1 | 0 | 0 | 109.3 | I224 | M222-I224 PolarHBondContact O-N 3.34Š| ||
| 223 | P | 49.7 | Very low | 55.2 | Low | 131 Ų | 131 | 138.3 Ų | 138.3 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | -65.5 | 127.4 | 164.4 | 29.1 | -30.3 | 0 | 0 | 0 | 108.2 | ||||
| 224 | I | 51.3 | Low | 54 | Low | 238 Ų | 238 | 141 Ų | 141 | 100% | 1.221 | 76% | 0.76 | S | S | * | * | trans | -102.5 | 0 | 161.7 | -24.5 | 168.1 | 0 | 0 | 0 | 106.3 | M222 | M222-I224 PolarHBondContact O-N 3.34Š|
Retrieved 224 of 224 residues in 816.5 ms
(Link to these results)