| 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 | 45.6 | Very low | 49.2 | Very low | 219 Ų | 219 | 123.3 Ų | 123.3 | 100% | 1.079 | 64% | 0.643 | S | S | * | * | 0 | 2.5 | 0 | -77.8 | -174 | 135.6 | 0 | 0 | 115 | |||||
| 2 | L | 38.9 | Very low | 50.2 | Low | 153 Ų | 153 | 116.7 Ų | 116.7 | 80% | 0.801 | 61% | 0.609 | S | S | * | * | trans | -80.5 | -28 | -178.6 | -124.8 | 71.1 | 0 | 0 | 0 | 114.4 | ||||
| 3 | S | 37.9 | Very low | 51.1 | Low | 106 Ų | 106 | 115.8 Ų | 115.8 | 74% | 0.741 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.2 | -32.6 | -177 | 177.3 | 0 | 0 | 0 | 0 | 114.1 | K5 C7 | S3-K5 PolarHBondContact O-N 3.3Å; S3-C7 PolarHBondContact O-N 3.15Å |
| 4 | K | 45.7 | Very low | 51.5 | Low | 169 Ų | 169 | 115.4 Ų | 115.4 | 74% | 0.735 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.4 | -28.8 | 179.4 | -76.5 | -176.6 | 175.8 | -179.4 | 0 | 113.6 | L8 | K4-L8 PolarHBondContact O-N 2.91Å; K4-L8 VanDerWaalsContact O-N 3.14Å |
| 5 | K | 50.4 | Low | 52 | Low | 151 Ų | 151 | 115.3 Ų | 115.3 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74 | -37.1 | -179.3 | -67.5 | -175.2 | 179.4 | -177.2 | 0 | 112.2 | S3 S9 | S3-K5 PolarHBondContact O-N 3.3Å; K5-S9 PolarHBondContact O-N 3.29Å |
| 6 | H | 48.5 | Very low | 52.3 | Low | 132 Ų | 132 | 114.5 Ų | 114.5 | 61% | 0.611 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.5 | -38.9 | 173.1 | -109.4 | -87 | 0 | 0 | 0 | 112 | S9 H10 | H6-S9 PolarHBondContact O-N 3.41Å; H6-H10 PolarHBondContact O-CD2 2.84Å; H6-H10 PolarHBondContact O-N 2.96Å; H6-H10 VanDerWaalsContact O-N 3.11Å |
| 7 | C | 48.3 | Very low | 52.4 | Low | 79 Ų | 79 | 112.9 Ų | 112.9 | 53% | 0.534 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.4 | -45.9 | 176.7 | -169.8 | 0 | 0 | 0 | 0 | 112 | S3 S9 H10 T11 | S3-C7 PolarHBondContact O-N 3.15Å; C7-S9 VanDerWaalsContact C-N 3.32Å; C7-S9 PolarHBondContact O-N 3.04Å; C7-H10 PolarHBondContact O-N 2.75Å; C7-T11 WeakPolarHBondContact O-CG2 3.46Å; C7-T11 PolarHBondContact O-N 3.37Å; C7-T11 PolarHBondContact O-OG1 2.82Å; C7-T11 VanDerWaalsContact O-OG1 3.1Å |
| 8 | L | 53.1 | Low | 52.2 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.6 | -29.4 | 177.9 | -91.6 | 154 | 0 | 0 | 0 | 114.4 | K4 T11 L12 | K4-L8 PolarHBondContact O-N 2.91Å; K4-L8 VanDerWaalsContact O-N 3.14Å; L8-T11 WeakPolarHBondContact CA-OG1 3.46Å; L8-T11 PolarHBondContact O-OG1 3.4Å; L8-T11 VanDerWaalsContact O-OG1 3.1Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.11Å |
| 9 | S | 59.7 | Low | 51.8 | Low | 63 Ų | 63 | 115.2 Ų | 115.2 | 44% | 0.441 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -76.1 | -40.6 | 177 | -162.8 | 0 | 0 | 0 | 0 | 111.5 | K5 H6 C7 L12 L13 | K5-S9 PolarHBondContact O-N 3.29Å; H6-S9 PolarHBondContact O-N 3.41Å; C7-S9 VanDerWaalsContact C-N 3.32Å; C7-S9 PolarHBondContact O-N 3.04Å; S9-L12 PolarHBondContact O-N 3.38Å; S9-L13 PolarHBondContact O-N 3.44Å; S9-L13 VanDerWaalsContact O-N 3.09Å |
| 10 | H | 56.3 | Low | 51.5 | Low | 110 Ų | 110 | 115 Ų | 115 | 51% | 0.509 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.9 | -35.9 | 177 | -86.1 | -80.8 | 0 | 0 | 0 | 112.7 | H6 C7 L12 L13 L14 | H6-H10 PolarHBondContact O-CD2 2.84Å; H6-H10 PolarHBondContact O-N 2.96Å; H6-H10 VanDerWaalsContact O-N 3.11Å; C7-H10 PolarHBondContact O-N 2.75Å; H10-L12 VanDerWaalsContact C-N 3.33Å; H10-L12 PolarHBondContact O-N 3.03Å; H10-L13 PolarHBondContact O-N 2.87Å; H10-L14 WeakPolarHBondContact O-CB 3.42Å; H10-L14 WeakPolarHBondContact O-CG 3.44Å; H10-L14 PolarHBondContact O-N 2.85Å |
| 11 | T | 57.2 | Low | 50.8 | Low | 65 Ų | 65 | 113.3 Ų | 113.3 | 40% | 0.399 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67 | -34.5 | 174.8 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | C7 L8 L15 | C7-T11 WeakPolarHBondContact O-CG2 3.46Å; C7-T11 PolarHBondContact O-N 3.37Å; C7-T11 PolarHBondContact O-OG1 2.82Å; C7-T11 VanDerWaalsContact O-OG1 3.1Å; L8-T11 WeakPolarHBondContact CA-OG1 3.46Å; L8-T11 PolarHBondContact O-OG1 3.4Å; L8-T11 VanDerWaalsContact O-OG1 3.1Å; T11-L15 PolarHBondContact O-N 2.87Å; T11-L15 VanDerWaalsContact O-N 3.12Å |
| 12 | L | 61 | Low | 50.9 | Low | 44 Ų | 44 | 110.8 Ų | 110.8 | 23% | 0.23 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -72.5 | -36.7 | 176.5 | -171 | 67.1 | 0 | 0 | 0 | 111.8 | L8 S9 H10 L15 L16 | L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.11Å; S9-L12 PolarHBondContact O-N 3.38Å; H10-L12 VanDerWaalsContact C-N 3.33Å; H10-L12 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 2.89Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.02Å |
| 13 | L | 61.9 | Low | 51 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.4 | -40 | 174.7 | -155.6 | 80.9 | 0 | 0 | 0 | 111.5 | S9 H10 L16 V17 | S9-L13 PolarHBondContact O-N 3.44Å; S9-L13 VanDerWaalsContact O-N 3.09Å; H10-L13 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 3.29Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 3.44Å |
| 14 | L | 57 | Low | 50.8 | Low | 110 Ų | 110 | 106.2 Ų | 106.2 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -40.2 | 174.5 | -81.9 | 160.1 | 0 | 0 | 0 | 112.3 | H10 L16 V17 C18 | H10-L14 WeakPolarHBondContact O-CB 3.42Å; H10-L14 WeakPolarHBondContact O-CG 3.44Å; H10-L14 PolarHBondContact O-N 2.85Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 2.85Å; L14-V17 PolarHBondContact O-N 2.89Å; L14-C18 WeakPolarHBondContact O-CB 3.33Å; L14-C18 PolarHBondContact O-N 2.93Å; L14-C18 PolarHBondContact O-SG 3.46Å |
| 15 | L | 57.9 | Low | 50.3 | Low | 113 Ų | 113 | 106.7 Ų | 106.7 | 59% | 0.592 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.8 | -34 | 175.3 | -83 | 161 | 0 | 0 | 0 | 113.1 | T11 L12 | T11-L15 PolarHBondContact O-N 2.87Å; T11-L15 VanDerWaalsContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 2.89Å |
| 16 | L | 58 | Low | 49.9 | Very low | 103 Ų | 103 | 106.7 Ų | 106.7 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -75.9 | -33.7 | 175.8 | -74.4 | 165.6 | 0 | 0 | 0 | 112.6 | L12 L13 L14 | L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.02Å; L13-L16 PolarHBondContact O-N 3.29Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 2.85Å |
| 17 | V | 53.4 | Low | 49.2 | Very low | 88 Ų | 88 | 107.3 Ų | 107.3 | 53% | 0.533 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -79.9 | -26.8 | 178.1 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | L13 L14 W19 T20 | L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 3.44Å; L14-V17 PolarHBondContact O-N 2.89Å; V17-W19 PolarHBondContact O-N 2.93Å; V17-W19 VanDerWaalsContact O-N 3.15Å; V17-T20 PolarHBondContact O-N 2.93Å; V17-T20 VanDerWaalsContact O-N 3.15Å; V17-T20 PolarHBondContact O-OG1 2.88Å |
| 18 | C | 48.1 | Very low | 49 | Very low | 90 Ų | 90 | 107.4 Ų | 107.4 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -11.4 | 171.7 | -74.1 | 0 | 0 | 0 | 0 | 113.8 | L14 | L14-C18 WeakPolarHBondContact O-CB 3.33Å; L14-C18 PolarHBondContact O-N 2.93Å; L14-C18 PolarHBondContact O-SG 3.46Å |
| 19 | W | 45 | Very low | 48.2 | Very low | 179 Ų | 179 | 110.8 Ų | 110.8 | 68% | 0.678 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -5.6 | 175 | -72.5 | 17.6 | 0 | 0 | 0 | 113.4 | V17 | V17-W19 PolarHBondContact O-N 2.93Å; V17-W19 VanDerWaalsContact O-N 3.15Å |
| 20 | T | 45.6 | Very low | 47.5 | Very low | 111 Ų | 111 | 112.7 Ų | 112.7 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | trans | -103.2 | 29.1 | 176.5 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | V17 | V17-T20 PolarHBondContact O-N 2.93Å; V17-T20 VanDerWaalsContact O-N 3.15Å; V17-T20 PolarHBondContact O-OG1 2.88Å | ||
| 21 | A | 38.1 | Very low | 46.4 | Very low | 80 Ų | 80 | 110.7 Ų | 110.7 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -95.9 | 98 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G23 | A21-G23 PolarHBondContact O-N 2.86Š|
| 22 | D | 47.5 | Very low | 45.4 | Very low | 166 Ų | 166 | 112.5 Ų | 112.5 | 89% | 0.888 | 67% | 0.667 | S | S | * | * | trans | 29.8 | 78.1 | 157 | -67.8 | -32.4 | 0 | 0 | 0 | 117.8 | ||||
| 23 | G | 40.6 | Very low | 44.6 | Very low | 75 Ų | 75 | 120.1 Ų | 120.1 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | -95.7 | 85.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | A21 Y25 | A21-G23 PolarHBondContact O-N 2.86Å; G23-Y25 VanDerWaalsContact C-N 3.25Å; G23-Y25 PolarHBondContact O-N 2.81Å | ||
| 24 | A | 33.5 | Very low | 43.4 | Very low | 88 Ų | 88 | 120.4 Ų | 120.4 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -59.2 | 96.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | N26 | A24-N26 PolarHBondContact O-N 2.91Å; A24-N26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | Y | 36.3 | Very low | 43 | Very low | 178 Ų | 178 | 123.4 Ų | 123.4 | 70% | 0.698 | 72% | 0.716 | S | S | * | * | trans | -68.8 | 101.6 | 175.5 | -174.3 | -96.2 | 0 | 0 | 0 | 107.4 | G23 S28 | G23-Y25 VanDerWaalsContact C-N 3.25Å; G23-Y25 PolarHBondContact O-N 2.81Å; Y25-S28 PolarHBondContact OH-OG 3.22Å | ||
| 26 | N | 41.9 | Very low | 41.9 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -71.2 | 132.3 | 166.9 | -75.6 | -28.4 | 0 | 0 | 0 | 108.6 | A24 | A24-N26 PolarHBondContact O-N 2.91Å; A24-N26 VanDerWaalsContact O-N 3.12Å | ||
| 27 | D | 33.3 | Very low | 40.7 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | trans | -42 | 140.3 | -169.2 | -95.5 | -42.6 | 0 | 0 | 0 | 115.9 | E29 | D27-E29 PolarHBondContact O-N 3.36Š| ||
| 28 | S | 44 | Very low | 40.3 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | trans | -74.6 | 93.7 | 158.6 | -60 | 0 | 0 | 0 | 0 | 109.1 | Y25 A30 | Y25-S28 PolarHBondContact OH-OG 3.22Å; S28-A30 PolarHBondContact O-N 3.31Å | ||
| 29 | E | 36.5 | Very low | 39.7 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | -83.2 | 96.1 | 157.4 | -75.5 | -164.9 | 116.1 | 0 | 0 | 108.9 | D27 G31 | D27-E29 PolarHBondContact O-N 3.36Å; E29-G31 PolarHBondContact O-N 3.48Å | ||
| 30 | A | 44.2 | Very low | 39.4 | Very low | 103 Ų | 103 | 125 Ų | 125 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -63.2 | 81.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | S28 S32 | S28-A30 PolarHBondContact O-N 3.31Å; A30-S32 PolarHBondContact O-N 2.94Å | ||
| 31 | G | 33.9 | Very low | 39.6 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -79.1 | 97.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E29 F33 | E29-G31 PolarHBondContact O-N 3.48Å; G31-F33 PolarHBondContact O-N 2.04Å | ||
| 32 | S | 36.4 | Very low | 40.4 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -50.2 | 131.7 | 160.7 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | A30 T34 | A30-S32 PolarHBondContact O-N 2.94Å; S32-T34 PolarHBondContact O-N 3.5Å | ||
| 33 | F | 44.4 | Very low | 41.7 | Very low | 203 Ų | 203 | 121.2 Ų | 121.2 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | trans | -57.9 | 102.7 | 175.5 | -156.4 | -92.1 | 0 | 0 | 0 | 109.5 | G31 | G31-F33 PolarHBondContact O-N 2.04Š| ||
| 34 | T | 35.3 | Very low | 44 | Very low | 113 Ų | 113 | 124 Ų | 124 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | trans | -135.8 | 110.5 | 166.2 | -34.8 | 0 | 0 | 0 | 0 | 108.2 | S32 L36 | S32-T34 PolarHBondContact O-N 3.5Å; T34-L36 PolarHBondContact O-N 2.74Å | ||
| 35 | E | 48.7 | Very low | 46.8 | Very low | 173 Ų | 173 | 121.5 Ų | 121.5 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | trans | -56.9 | 123.3 | 174.1 | -175.1 | -176.6 | 136.7 | 0 | 0 | 110.9 | ||||
| 36 | L | 34.8 | Very low | 49.5 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | trans | -150.8 | 114.6 | 164.2 | -95.5 | 142.6 | 0 | 0 | 0 | 109.6 | T34 | T34-L36 PolarHBondContact O-N 2.74Š| ||
| 37 | A | 34.4 | Very low | 51.9 | Low | 82 Ų | 82 | 111.5 Ų | 111.5 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | trans | 11.8 | 147.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | V39 | A37-V39 PolarHBondContact O-N 3.41Š| ||
| 38 | P | 44.5 | Very low | 54.7 | Low | 135 Ų | 135 | 111 Ų | 111 | 88% | 0.877 | 65% | 0.647 | S | S | * | * | trans | -79.5 | 113.8 | -169.5 | 33.4 | -32.3 | 0 | 0 | 0 | 112 | ||||
| 39 | V | 35.1 | Very low | 56.9 | Low | 137 Ų | 137 | 108.9 Ų | 108.9 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | trans | -91.6 | 124.4 | 166.2 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | A37 S41 | A37-V39 PolarHBondContact O-N 3.41Å; V39-S41 PolarHBondContact O-N 3.17Å | ||
| 40 | A | 38.5 | Very low | 59.5 | Low | 93 Ų | 93 | 102.8 Ų | 102.8 | 77% | 0.769 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 11.5 | 98.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S42 | A40-S42 VanDerWaalsContact C-N 3.33Å; A40-S42 PolarHBondContact O-N 3.1Å |
| 41 | S | 50 | Low | 61.7 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 63% | 0.629 | 59% | 0.587 | S | S | * | * | trans | -52.5 | 72.6 | -174.1 | 174.9 | 0 | 0 | 0 | 0 | 116.1 | V39 R43 | V39-S41 PolarHBondContact O-N 3.17Å; S41-R43 VanDerWaalsContact C-N 3.29Å; S41-R43 PolarHBondContact O-N 2.91Å; S41-R43 WeakPolarHBondContact OG-CG 3.32Å | ||
| 42 | S | 54.3 | Low | 64.6 | Low | 86 Ų | 86 | 100.8 Ų | 100.8 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | trans | -79.1 | 82.4 | 153.9 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | A40 Y44 | A40-S42 VanDerWaalsContact C-N 3.33Å; A40-S42 PolarHBondContact O-N 3.1Å; S42-Y44 PolarHBondContact O-N 2.82Å | ||
| 43 | R | 75.8 | Confident | 67.3 | Low | 101 Ų | 101 | 97.9 Ų | 97.9 | 38% | 0.381 | 56% | 0.559 | S | S | . | * | trans | -70.6 | 103.8 | -179.6 | -58.2 | -158.7 | -76.6 | -136.3 | 1.8 | 108.6 | S41 N58 Y119 V121 I122 | S41-R43 VanDerWaalsContact C-N 3.29Å; S41-R43 PolarHBondContact O-N 2.91Å; S41-R43 WeakPolarHBondContact OG-CG 3.32Å; R43-N58 PolarHBondContact NH2-ND2 2.99Å; R43-Y119 PolarHBondContact NE-OH 3.19Å; R43-Y119 PolarHBondContact NH2-OH 2.96Å; R43-V121 VanDerWaalsContact O-CG2 3.25Å; R43-V121 WeakPolarHBondContact O-CG2 3.18Å; R43-I122 PolarHBondContact O-N 3.2Å | ||
| 44 | Y | 88.3 | Confident | 69.6 | Low | 134 Ų | 134 | 92.5 Ų | 92.5 | 53% | 0.525 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 142.8 | 159 | 65.1 | -89.2 | 0 | 0 | 0 | 108.3 | S42 I122 R124 | S42-Y44 PolarHBondContact O-N 2.82Å; Y44-I122 CarbonylContact C-O 3.51Å; Y44-I122 WeakPolarHBondContact CA-O 3.29Å; Y44-R124 HydrophobicContact CD2-CG 4.44Å |
| 45 | I | 92.1 | Very high | 72.4 | Confident | 36 Ų | 36 | 87.3 Ų | 87.3 | 19% | 0.185 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.2 | 174 | 57.4 | 176.4 | 0 | 0 | 0 | 108.1 | M53 I55 V121 I122 L123 R124 | I45-M53 HydrophobicContact CB-CE 4.04Å; I45-M53 HydrophobicContact CD1-CE 3.91Å; I45-M53 HydrophobicContact CG1-CE 4.36Å; I45-I55 HydrophobicContact CD1-CB 4.35Å; I45-I55 HydrophobicContact CD1-CD1 3.66Å; I45-I55 HydrophobicContact CD1-CG1 3.59Å; I45-I55 HydrophobicContact CD1-CG2 4.02Å; I45-V121 HydrophobicContact CB-CG2 4.43Å; I45-V121 HydrophobicContact CD1-CG1 4.4Å; I45-V121 HydrophobicContact CD1-CG2 4.01Å; I45-V121 HydrophobicContact CG1-CG2 3.92Å; I45-V121 HydrophobicContact CG2-CG2 3.82Å; I45-I122 PolarHBondContact N-O 2.8Å; I45-L123 HydrophobicContact CD1-CD1 3.9Å; I45-L123 HydrophobicContact CG1-CB 4.41Å; I45-L123 HydrophobicContact CG1-CD1 3.78Å; I45-R124 PolarHBondContact O-N 2.82Å |
| 46 | L | 92.3 | Very high | 74.4 | Confident | 115 Ų | 115 | 86.1 Ų | 86.1 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.8 | -178.6 | -174.1 | 64.5 | 0 | 0 | 0 | 109.4 | R124 A126 | L46-R124 WeakPolarHBondContact CA-O 3.23Å; L46-R124 HydrophobicContact CD1-CB 3.93Å; L46-A126 HydrophobicContact CD1-CB 4.04Å; L46-A126 HydrophobicContact CG-CB 4.46Å |
| 47 | A | 92.9 | Very high | 77 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 3% | 0.033 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 147.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | M53 V97 L123 R124 V125 A126 | A47-M53 HydrophobicContact CB-CB 4.15Å; A47-M53 HydrophobicContact CB-CG 4.08Å; A47-M53 HydrophobicContact CB-SD 4.4Å; A47-V97 HydrophobicContact CB-CB 4.48Å; A47-V97 HydrophobicContact CB-CG1 3.99Å; A47-V97 HydrophobicContact CB-CG2 4.09Å; A47-L123 HydrophobicContact CB-CD1 3.76Å; A47-R124 PolarHBondContact N-O 2.88Å; A47-V125 CarbonylContact O-C 3.58Å; A47-V125 VanDerWaalsContact O-CA 3.29Å; A47-V125 WeakPolarHBondContact O-CA 3.29Å; A47-A126 PolarHBondContact O-N 3.3Å |
| 48 | K | 91.6 | Very high | 79.5 | Confident | 133 Ų | 133 | 80.3 Ų | 80.3 | 58% | 0.578 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.7 | 173.1 | -175.7 | 178.8 | 173.6 | -178.3 | 0 | 108.7 | G50 S51 T128 | K48-G50 PolarHBondContact O-N 3.49Å; K48-S51 PolarHBondContact O-N 3.2Å; K48-S51 PolarHBondContact O-OG 2.95Å; K48-T128 HydrophobicContact CD-CG2 3.79Å; K48-T128 HydrophobicContact CG-CG2 3.19Å |
| 49 | E | 91.4 | Very high | 81.5 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 18% | 0.182 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 138.8 | 171.4 | -178.1 | 168.9 | -131.9 | 0 | 0 | 110.9 | S51 F99 V125 A126 Y127 T128 | E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 3.46Å; E49-F99 PolarHBondContact OE1-N 2.99Å; E49-V125 HydrophobicContact CB-CG1 4.02Å; E49-A126 PolarHBondContact N-O 3.27Å; E49-Y127 WeakPolarHBondContact OE2-CD2 3.25Å; E49-Y127 VanDerWaalsContact OE2-CE2 3.27Å; E49-Y127 WeakPolarHBondContact OE2-CE2 3.16Å; E49-T128 HydrophobicContact CB-CG2 4.2Å; E49-T128 WeakPolarHBondContact O-CG2 3.42Å |
| 50 | G | 90.3 | Very high | 83.5 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 54% | 0.536 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -10.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K48 V97 | K48-G50 PolarHBondContact O-N 3.49Å; G50-V97 PolarHBondContact N-O 3.35Å |
| 51 | S | 91.5 | Very high | 85.1 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -86.9 | 161.7 | 175.6 | 71.3 | 0 | 0 | 0 | 0 | 112.4 | K48 E49 V97 | K48-S51 PolarHBondContact O-N 3.2Å; K48-S51 PolarHBondContact O-OG 2.95Å; E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 3.46Å; S51-V97 WeakPolarHBondContact O-CB 3.41Å; S51-V97 VanDerWaalsContact O-CG2 3.29Å; S51-V97 WeakPolarHBondContact O-CG2 3.45Å; S51-V97 PolarHBondContact O-N 2.77Å |
| 52 | S | 93.3 | Very high | 85.8 | Confident | 87 Ų | 87 | 74.2 Ų | 74.2 | 61% | 0.608 | 40% | 0.403 | S | S | * | . | trans | -83.2 | 143.1 | 165.2 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | I94 S95 | S52-I94 CarbonylContact C-O 3.54Å; S52-I94 VanDerWaalsContact CA-O 3.23Å; S52-I94 WeakPolarHBondContact CA-O 3.41Å; S52-S95 VanDerWaalsContact CA-O 3.29Å; S52-S95 WeakPolarHBondContact CA-O 3.4Å; S52-S95 WeakPolarHBondContact CB-O 3.36Å | ||
| 53 | M | 93.6 | Very high | 86.2 | Confident | 42 Ų | 42 | 78.6 Ų | 78.6 | 21% | 0.207 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 139.8 | 179.8 | -177.5 | 63.7 | -177.5 | 0 | 0 | 111.4 | I45 A47 I55 I94 V97 | I45-M53 HydrophobicContact CB-CE 4.04Å; I45-M53 HydrophobicContact CD1-CE 3.91Å; I45-M53 HydrophobicContact CG1-CE 4.36Å; A47-M53 HydrophobicContact CB-CB 4.15Å; A47-M53 HydrophobicContact CB-CG 4.08Å; A47-M53 HydrophobicContact CB-SD 4.4Å; M53-I55 HydrophobicContact CG-CG1 4.38Å; M53-I94 PolarHBondContact N-O 3.19Å; M53-I94 PolarHBondContact O-N 3.02Å; M53-V97 HydrophobicContact CB-CG2 3.82Å |
| 54 | L | 94 | Very high | 86.3 | Confident | 90 Ų | 90 | 75 Ų | 75 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.8 | 174.5 | -59.3 | -176.4 | 0 | 0 | 0 | 110.4 | V91 L92 N93 | L54-V91 HydrophobicContact CB-CG1 4.13Å; L54-L92 CarbonylContact C-O 3.56Å; L54-L92 WeakPolarHBondContact CA-O 3.27Å; L54-N93 HydrophobicContact CD2-CB 3.61Å |
| 55 | I | 93.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 73.6 Ų | 73.6 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 111.3 | 179.4 | -49.6 | -177.6 | 0 | 0 | 0 | 108.6 | I45 M53 W68 L92 I94 Y105 V121 | I45-I55 HydrophobicContact CD1-CB 4.35Å; I45-I55 HydrophobicContact CD1-CD1 3.66Å; I45-I55 HydrophobicContact CD1-CG1 3.59Å; I45-I55 HydrophobicContact CD1-CG2 4.02Å; M53-I55 HydrophobicContact CG-CG1 4.38Å; I55-W68 HydrophobicContact CB-CH2 4.23Å; I55-W68 HydrophobicContact CB-CZ2 4.47Å; I55-W68 HydrophobicContact CG2-CH2 3.44Å; I55-W68 VanDerWaalsContact CG2-CH2 3.44Å; I55-W68 HydrophobicContact CG2-CZ2 4.09Å; I55-W68 HydrophobicContact CG2-CZ3 4.05Å; I55-W68 WeakPolarHBondContact O-CZ2 3.39Å; I55-L92 HydrophobicContact CB-CB 4.23Å; I55-L92 HydrophobicContact CD1-CD2 4.2Å; I55-L92 PolarHBondContact N-O 3.24Å; I55-L92 PolarHBondContact O-N 2.77Å; I55-I94 HydrophobicContact CD1-CD1 3.89Å; I55-Y105 HydrophobicContact CD1-CG 4.44Å; I55-V121 HydrophobicContact CG2-CG1 3.68Å |
| 56 | E | 91.3 | Very high | 86.2 | Confident | 148 Ų | 148 | 72.5 Ų | 72.5 | 69% | 0.692 | 40% | 0.398 | S | S | * | . | trans | -81.3 | 138.7 | 177.2 | -64.4 | -179.1 | 179.4 | 0 | 0 | 111.3 | V91 Y119 | E56-V91 HydrophobicContact CG-CG1 4.38Å; E56-V91 HydrophobicContact CG-CG2 4.26Å; E56-Y119 WeakPolarHBondContact O-CE1 3.1Å | ||
| 57 | C | 89.8 | Confident | 86.2 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | trans | -91.1 | 107.7 | 175 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | V59 T60 V66 W68 C107 | C57-V59 PolarHBondContact O-N 2.82Å; C57-V59 WeakPolarHBondContact SG-CG2 3.08Å; C57-T60 VanDerWaalsContact CB-OG1 3.27Å; C57-T60 WeakPolarHBondContact CB-OG1 3.31Å; C57-T60 PolarHBondContact O-N 2.97Å; C57-T60 PolarHBondContact O-OG1 3.18Å; C57-T60 PolarHBondContact SG-OG1 2.69Å; C57-T60 VanDerWaalsContact SG-OG1 3.36Å; C57-V66 HydrophobicContact CB-CG1 4.29Å; C57-W68 HydrophobicContact CB-CH2 4.46Å; C57-W68 HydrophobicContact CB-CZ2 3.73Å; C57-C107 VanDerWaalsContact CA-SG 3.6Å; C57-C107 HydrophobicContact CB-CB 3.78Å; C57-C107 WeakPolarHBondContact CB-SG 3.27Å; C57-C107 WeakPolarHBondContact SG-CB 3.02Å; C57-C107 CovalentContact SG-SG 2.04Å; C57-C107 PolarHBondContact SG-SG 3.33Å | ||
| 58 | N | 87 | Confident | 86.3 | Confident | 107 Ų | 107 | 71.5 Ų | 71.5 | 57% | 0.572 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 27.4 | -175.1 | -166.4 | 50.8 | 0 | 0 | 0 | 114 | R43 Y119 | R43-N58 PolarHBondContact NH2-ND2 2.99Å; N58-Y119 HydrophobicContact CB-CD1 4.26Å; N58-Y119 HydrophobicContact CB-CD2 3.95Å; N58-Y119 HydrophobicContact CB-CE1 4.21Å; N58-Y119 HydrophobicContact CB-CE2 3.94Å; N58-Y119 HydrophobicContact CB-CG 4.12Å |
| 59 | V | 85.6 | Confident | 86.4 | Confident | 31 Ų | 31 | 68 Ų | 68 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | 4.2 | 175.1 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | C57 A109 R117 | C57-V59 PolarHBondContact O-N 2.82Å; C57-V59 WeakPolarHBondContact SG-CG2 3.08Å; V59-A109 HydrophobicContact CG2-CB 3.97Å; V59-R117 HydrophobicContact CB-CB 3.87Å; V59-R117 HydrophobicContact CG1-CB 4.13Å; V59-R117 HydrophobicContact CG2-CB 4.24Å |
| 60 | T | 76.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 23% | 0.227 | 37% | 0.366 | C | S | . | . | trans | -86.5 | 115.9 | -173.7 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | C57 E64 V66 K89 | C57-T60 VanDerWaalsContact CB-OG1 3.27Å; C57-T60 WeakPolarHBondContact CB-OG1 3.31Å; C57-T60 PolarHBondContact O-N 2.97Å; C57-T60 PolarHBondContact O-OG1 3.18Å; C57-T60 PolarHBondContact SG-OG1 2.69Å; C57-T60 VanDerWaalsContact SG-OG1 3.36Å; T60-E64 WeakPolarHBondContact CA-OE2 3.02Å; T60-V66 HydrophobicContact CG2-CG2 3.56Å; T60-K89 WeakPolarHBondContact CG2-O 3.33Å | ||
| 61 | D | 72.6 | Confident | 86.6 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 57% | 0.572 | 36% | 0.363 | S | S | * | . | trans | -96.9 | 169.7 | 165.3 | -73.3 | -37.7 | 0 | 0 | 0 | 111.6 | Q63 E64 | D61-Q63 PolarHBondContact O-N 2.71Å; D61-E64 HydrophobicContact CB-CG 4.31Å; D61-E64 PolarHBondContact N-OE2 3.06Å; D61-E64 PolarHBondContact O-N 2.59Å | ||
| 62 | V | 64.6 | Low | 86.6 | Confident | 152 Ų | 152 | 74.5 Ų | 74.5 | 92% | 0.921 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11.2 | -166.7 | 178.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 63 | Q | 62 | Low | 86.4 | Confident | 178 Ų | 178 | 72.9 Ų | 72.9 | 83% | 0.832 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.6 | 36.7 | -176.8 | -73.9 | -176.6 | -16.6 | 0 | 0 | 113.9 | D61 | D61-Q63 PolarHBondContact O-N 2.71Š|
| 64 | E | 78.4 | Confident | 86.3 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 12% | 0.121 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.2 | -179.4 | -61.2 | -174.1 | 145.8 | 0 | 0 | 112.8 | T60 D61 A109 S110 T111 R117 | T60-E64 WeakPolarHBondContact CA-OE2 3.02Å; D61-E64 HydrophobicContact CB-CG 4.31Å; D61-E64 PolarHBondContact N-OE2 3.06Å; D61-E64 PolarHBondContact O-N 2.59Å; E64-A109 HydrophobicContact CB-CB 4.19Å; E64-A109 WeakPolarHBondContact OE2-CB 3.4Å; E64-S110 WeakPolarHBondContact CA-O 3.13Å; E64-T111 PolarHBondContact OE1-OG1 3.48Å; E64-R117 IonicContact OE1-NH1 2.76Å; E64-R117 PolarHBondContact OE1-NH1 2.97Å |
| 65 | D | 86.8 | Confident | 86.3 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 56% | 0.556 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 115.4 | 169.1 | 178 | 34.3 | 0 | 0 | 0 | 109.1 | A109 S110 | D65-A109 WeakPolarHBondContact O-CA 3.36Å; D65-S110 PolarHBondContact N-O 3.09Å; D65-S110 PolarHBondContact O-N 2.92Å |
| 66 | V | 90.8 | Very high | 86.3 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.3 | -173.8 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | C57 T60 C107 A109 | C57-V66 HydrophobicContact CB-CG1 4.29Å; T60-V66 HydrophobicContact CG2-CG2 3.56Å; V66-C107 HydrophobicContact CG1-CB 4.17Å; V66-A109 HydrophobicContact CG2-CB 4.16Å |
| 67 | R | 92.6 | Very high | 86 | Confident | 98 Ų | 98 | 69.2 Ų | 69.2 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137.8 | 175.7 | -69 | -178.8 | -69.7 | 169.6 | -1.7 | 110.9 | Y69 L75 C107 V108 | R67-Y69 HydrophobicContact CB-CE2 4.01Å; R67-L75 HydrophobicContact CB-CD1 3.82Å; R67-L75 HydrophobicContact CG-CD1 4.18Å; R67-C107 CarbonylContact O-C 3.23Å; R67-C107 VanDerWaalsContact O-CA 3.31Å; R67-C107 WeakPolarHBondContact O-CA 3.08Å; R67-V108 PolarHBondContact N-O 2.86Å; R67-V108 PolarHBondContact O-N 2.96Å |
| 68 | W | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 139.1 | -179.7 | -82.3 | 95.2 | 0 | 0 | 0 | 112.3 | I55 C57 L75 L76 G90 L92 C107 V121 | I55-W68 HydrophobicContact CB-CH2 4.23Å; I55-W68 HydrophobicContact CB-CZ2 4.47Å; I55-W68 HydrophobicContact CG2-CH2 3.44Å; I55-W68 VanDerWaalsContact CG2-CH2 3.44Å; I55-W68 HydrophobicContact CG2-CZ2 4.09Å; I55-W68 HydrophobicContact CG2-CZ3 4.05Å; I55-W68 WeakPolarHBondContact O-CZ2 3.39Å; C57-W68 HydrophobicContact CB-CH2 4.46Å; C57-W68 HydrophobicContact CB-CZ2 3.73Å; W68-L75 WeakPolarHBondContact O-CA 3.34Å; W68-L76 HydrophobicContact CB-CB 4.1Å; W68-L76 HydrophobicContact CB-CD1 4.25Å; W68-L76 HydrophobicContact CB-CG 4.47Å; W68-L76 PolarHBondContact O-N 2.86Å; W68-G90 PolarHBondContact NE1-O 3.31Å; W68-L92 HydrophobicContact CB-CD2 4.32Å; W68-L92 HydrophobicContact CD2-CB 3.83Å; W68-L92 HydrophobicContact CD2-CD2 3.86Å; W68-L92 HydrophobicContact CD2-CG 4.41Å; W68-L92 HydrophobicContact CE3-CD2 3.9Å; W68-L92 HydrophobicContact CG-CB 3.98Å; W68-L92 HydrophobicContact CG-CD1 4.48Å; W68-L92 HydrophobicContact CG-CD2 4.08Å; W68-L92 HydrophobicContact CG-CG 4.42Å; W68-L92 HydrophobicContact CZ2-CB 4.07Å; W68-C107 HydrophobicContact CD2-CB 3.63Å; W68-C107 HydrophobicContact CE3-CB 3.78Å; W68-C107 HydrophobicContact CG-CB 4.31Å; W68-C107 HydrophobicContact CH2-CB 3.74Å; W68-C107 HydrophobicContact CZ2-CB 3.62Å; W68-C107 HydrophobicContact CZ3-CB 3.82Å; W68-V121 HydrophobicContact CZ3-CG1 4.45Å |
| 69 | Y | 94.8 | Very high | 85.4 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 24% | 0.239 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.8 | 177.1 | -60 | -91.3 | 0 | 0 | 0 | 110.4 | R67 L74 L75 Y105 T106 V108 | R67-Y69 HydrophobicContact CB-CE2 4.01Å; Y69-L74 WeakPolarHBondContact CA-O 3.34Å; Y69-L75 HydrophobicContact CD1-CB 4.43Å; Y69-L75 HydrophobicContact CE1-CB 4.11Å; Y69-L75 HydrophobicContact CE1-CD1 3.99Å; Y69-L75 HydrophobicContact CE2-CD1 4.37Å; Y69-Y105 WeakPolarHBondContact O-CA 3.44Å; Y69-T106 PolarHBondContact N-O 3.47Å; Y69-T106 PolarHBondContact O-N 3.42Å; Y69-V108 HydrophobicContact CD2-CG2 3.9Å; Y69-V108 HydrophobicContact CE2-CB 4.19Å; Y69-V108 HydrophobicContact CE2-CG2 3.68Å |
| 70 | N | 94.3 | Very high | 85.1 | Confident | 19 Ų | 19 | 87.2 Ų | 87.2 | 10% | 0.102 | 45% | 0.452 | C | S | . | . | trans | -86.7 | -177.2 | 171.7 | 70.5 | 11.1 | 0 | 0 | 0 | 112.1 | K72 G73 L74 L76 R104 Y105 | N70-K72 PolarHBondContact O-N 3.42Å; N70-K72 VanDerWaalsContact O-N 3.08Å; N70-K72 WeakPolarHBondContact OD1-CA 3.31Å; N70-K72 WeakPolarHBondContact OD1-CB 3.35Å; N70-K72 PolarHBondContact OD1-N 2.77Å; N70-G73 PolarHBondContact O-N 3.08Å; N70-G73 PolarHBondContact OD1-N 3.48Å; N70-L74 PolarHBondContact N-O 3.33Å; N70-L74 WeakPolarHBondContact OD1-CB 3.34Å; N70-L74 PolarHBondContact OD1-N 2.87Å; N70-L76 HydrophobicContact CB-CD1 4.21Å; N70-L76 HydrophobicContact CB-CD2 4.11Å; N70-L76 HydrophobicContact CB-CG 4.46Å; N70-R104 CarbonylContact C-O 3.58Å; N70-R104 VanDerWaalsContact C-O 3.23Å; N70-Y105 HydrophobicContact CB-CD1 4.37Å; N70-Y105 HydrophobicContact CB-CE1 3.99Å | ||
| 71 | S | 90.9 | Very high | 85.2 | Confident | 69 Ų | 69 | 88.8 Ų | 88.8 | 48% | 0.483 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.1 | -179.6 | 56 | 0 | 0 | 0 | 0 | 114.2 | R104 | S71-R104 WeakPolarHBondContact CA-O 3.29Å; S71-R104 PolarHBondContact N-O 2.92Å |
| 72 | K | 90.8 | Very high | 85.9 | Confident | 180 Ų | 180 | 84.4 Ų | 84.4 | 78% | 0.783 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 0.5 | 177.2 | -55.1 | -179.7 | -178.2 | 178.4 | 0 | 112.6 | N70 L74 | N70-K72 PolarHBondContact O-N 3.42Å; N70-K72 VanDerWaalsContact O-N 3.08Å; N70-K72 WeakPolarHBondContact OD1-CA 3.31Å; N70-K72 WeakPolarHBondContact OD1-CB 3.35Å; N70-K72 PolarHBondContact OD1-N 2.77Å; K72-L74 VanDerWaalsContact C-N 3.28Å; K72-L74 PolarHBondContact O-N 2.94Å |
| 73 | G | 89.8 | Confident | 87.2 | Confident | 52 Ų | 52 | 79.9 Ų | 79.9 | 54% | 0.536 | 42% | 0.424 | S | S | . | . | trans | 75.5 | 13.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N70 | N70-G73 PolarHBondContact O-N 3.08Å; N70-G73 PolarHBondContact OD1-N 3.48Å | ||
| 74 | L | 91.8 | Very high | 88.7 | Confident | 99 Ų | 99 | 74.3 Ų | 74.3 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 130.2 | 178.2 | -177.9 | 67.4 | 0 | 0 | 0 | 110.4 | Y69 N70 K72 L76 | Y69-L74 WeakPolarHBondContact CA-O 3.34Å; N70-L74 PolarHBondContact N-O 3.33Å; N70-L74 WeakPolarHBondContact OD1-CB 3.34Å; N70-L74 PolarHBondContact OD1-N 2.87Å; K72-L74 VanDerWaalsContact C-N 3.28Å; K72-L74 PolarHBondContact O-N 2.94Å; L74-L76 PolarHBondContact O-N 3.41Å |
| 75 | L | 93.3 | Very high | 89.4 | Confident | 68 Ų | 68 | 77 Ų | 77 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 123 | 171 | -178.8 | 67.9 | 0 | 0 | 0 | 110.1 | R67 W68 Y69 | R67-L75 HydrophobicContact CB-CD1 3.82Å; R67-L75 HydrophobicContact CG-CD1 4.18Å; W68-L75 WeakPolarHBondContact O-CA 3.34Å; Y69-L75 HydrophobicContact CD1-CB 4.43Å; Y69-L75 HydrophobicContact CE1-CB 4.11Å; Y69-L75 HydrophobicContact CE1-CD1 3.99Å; Y69-L75 HydrophobicContact CE2-CD1 4.37Å |
| 76 | L | 93.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 157.4 | -178.3 | -53.8 | -179.4 | 0 | 0 | 0 | 111.2 | W68 N70 L74 K78 W84 L92 Y105 | W68-L76 HydrophobicContact CB-CB 4.1Å; W68-L76 HydrophobicContact CB-CD1 4.25Å; W68-L76 HydrophobicContact CB-CG 4.47Å; W68-L76 PolarHBondContact O-N 2.86Å; N70-L76 HydrophobicContact CB-CD1 4.21Å; N70-L76 HydrophobicContact CB-CD2 4.11Å; N70-L76 HydrophobicContact CB-CG 4.46Å; L74-L76 PolarHBondContact O-N 3.41Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 3.16Å; L76-W84 HydrophobicContact CB-CB 4.03Å; L76-W84 HydrophobicContact CB-CG 4.29Å; L76-W84 HydrophobicContact CD1-CG 4.24Å; L76-W84 HydrophobicContact CD2-CD2 3.9Å; L76-W84 HydrophobicContact CD2-CE3 4.31Å; L76-W84 HydrophobicContact CD2-CG 4Å; L76-W84 HydrophobicContact CG-CG 4.41Å; L76-L92 HydrophobicContact CB-CD1 4.4Å; L76-L92 HydrophobicContact CD1-CD1 4.29Å; L76-L92 HydrophobicContact CD1-CD2 3.77Å; L76-Y105 HydrophobicContact CD1-CD1 3.72Å; L76-Y105 HydrophobicContact CD1-CE1 3.61Å |
| 77 | G | 86.3 | Confident | 89.5 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 77.1 | 11 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | W84 | G77-W84 WeakPolarHBondContact CA-O 3.24Š|
| 78 | K | 82.8 | Confident | 88.9 | Confident | 179 Ų | 179 | 82.3 Ų | 82.3 | 78% | 0.778 | 43% | 0.434 | S | S | * | . | trans | -74.9 | -26.5 | 176.6 | -169.1 | 179.1 | 179.2 | -175.5 | 0 | 113.3 | L76 | L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 3.16Å | ||
| 79 | E | 81.4 | Confident | 88.2 | Confident | 150 Ų | 150 | 90.9 Ų | 90.9 | 70% | 0.701 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -97.4 | 119.1 | -177.6 | -67.9 | 176.6 | 179.8 | 0 | 0 | 110.2 | G81 G82 | E79-G81 PolarHBondContact O-N 2.76Å; E79-G82 PolarHBondContact O-N 2.89Å; E79-G82 VanDerWaalsContact O-N 3.11Å |
| 80 | E | 78.2 | Confident | 87.8 | Confident | 200 Ų | 200 | 88.3 Ų | 88.3 | 94% | 0.935 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 129.6 | 172.9 | -70.6 | -173.6 | 174.3 | 0 | 0 | 110.3 | G82 | E80-G82 PolarHBondContact O-N 2.82Š|
| 81 | G | 78.5 | Confident | 87.7 | Confident | 69 Ų | 69 | 88.7 Ų | 88.7 | 71% | 0.711 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 5.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E79 | E79-G81 PolarHBondContact O-N 2.76Š|
| 82 | G | 87.5 | Confident | 87.8 | Confident | 16 Ų | 16 | 85.4 Ų | 85.4 | 17% | 0.165 | 44% | 0.443 | C | S | . | . | trans | -66.8 | 171.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | E79 E80 W84 Q85 | E79-G82 PolarHBondContact O-N 2.89Å; E79-G82 VanDerWaalsContact O-N 3.11Å; E80-G82 PolarHBondContact O-N 2.82Å; G82-W84 VanDerWaalsContact C-N 3.26Å; G82-W84 PolarHBondContact O-N 2.88Å; G82-Q85 WeakPolarHBondContact O-CG 3.49Å | ||
| 83 | K | 91.8 | Very high | 88 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 24% | 0.243 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -57.4 | -38.6 | 178.7 | 172.6 | 178.1 | 175.4 | 170.3 | 0 | 113.3 | I94 S95 V96 S98 D101 | K83-I94 HydrophobicContact CG-CG2 4.39Å; K83-S95 WeakPolarHBondContact CA-OG 3.46Å; K83-S95 PolarHBondContact O-N 3.41Å; K83-S95 PolarHBondContact O-OG 3.37Å; K83-V96 WeakPolarHBondContact CE-O 3.45Å; K83-V96 PolarHBondContact NZ-O 2.88Å; K83-S98 PolarHBondContact NZ-OG 3.01Å; K83-S98 VanDerWaalsContact NZ-OG 3.1Å; K83-D101 WeakPolarHBondContact CE-OD1 3.41Å; K83-D101 WeakPolarHBondContact CE-OD2 3.36Å; K83-D101 IonicContact NZ-OD1 3.22Å; K83-D101 PolarHBondContact NZ-OD1 3.3Å; K83-D101 IonicContact NZ-OD2 2.73Å; K83-D101 PolarHBondContact NZ-OD2 3.46Å |
| 84 | W | 94 | Very high | 88.2 | Confident | 62 Ų | 62 | 75.9 Ų | 75.9 | 24% | 0.235 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.6 | 178.7 | -59.5 | -84.9 | 0 | 0 | 0 | 109.1 | L76 G77 G82 L92 N93 | L76-W84 HydrophobicContact CB-CB 4.03Å; L76-W84 HydrophobicContact CB-CG 4.29Å; L76-W84 HydrophobicContact CD1-CG 4.24Å; L76-W84 HydrophobicContact CD2-CD2 3.9Å; L76-W84 HydrophobicContact CD2-CE3 4.31Å; L76-W84 HydrophobicContact CD2-CG 4Å; L76-W84 HydrophobicContact CG-CG 4.41Å; G77-W84 WeakPolarHBondContact CA-O 3.24Å; G82-W84 VanDerWaalsContact C-N 3.26Å; G82-W84 PolarHBondContact O-N 2.88Å; W84-L92 HydrophobicContact CB-CD1 4.06Å; W84-N93 WeakPolarHBondContact CA-O 3.41Å |
| 85 | Q | 92.9 | Very high | 88.3 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 38% | 0.379 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.6 | 179 | -62.7 | 178.3 | -20.8 | 0 | 0 | 109.3 | G82 N93 | G82-Q85 WeakPolarHBondContact O-CG 3.49Å; Q85-N93 HydrophobicContact CB-CB 4.32Å; Q85-N93 PolarHBondContact N-O 2.89Å; Q85-N93 PolarHBondContact O-N 2.86Å |
| 86 | I | 91.4 | Very high | 88.3 | Confident | 66 Ų | 66 | 74.3 Ų | 74.3 | 34% | 0.338 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 117.1 | 175.3 | -60 | 173.9 | 0 | 0 | 0 | 106.9 | ||
| 87 | Q | 88.4 | Confident | 88.3 | Confident | 87 Ų | 87 | 74.1 Ų | 74.1 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | trans | -83.6 | 177.1 | 177.4 | -61.8 | -169.5 | 56.3 | 0 | 0 | 111.4 | G90 V91 N93 | Q87-G90 PolarHBondContact O-N 2.83Å; Q87-G90 VanDerWaalsContact O-N 3.15Å; Q87-V91 HydrophobicContact CB-CB 4.34Å; Q87-V91 PolarHBondContact N-O 2.94Å; Q87-N93 HydrophobicContact CG-CB 4.18Å | ||
| 88 | E | 80.3 | Confident | 88.5 | Confident | 174 Ų | 174 | 74.3 Ų | 74.3 | 81% | 0.813 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -51.8 | 141.7 | 169.7 | -62.9 | -179.1 | -175 | 0 | 0 | 110.8 | G90 | E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 2.67Å |
| 89 | K | 78.9 | Confident | 88.8 | Confident | 181 Ų | 181 | 70 Ų | 70 | 79% | 0.787 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | 65.2 | 21.7 | -175.1 | -47.6 | 175.6 | -179.2 | 176.9 | 0 | 115 | T60 V91 | T60-K89 WeakPolarHBondContact CG2-O 3.33Å; K89-V91 VanDerWaalsContact C-N 3.33Å; K89-V91 PolarHBondContact O-N 3.46Å |
| 90 | G | 87.4 | Confident | 89.3 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | 75.2 | 18.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115 | W68 Q87 E88 | W68-G90 PolarHBondContact NE1-O 3.31Å; Q87-G90 PolarHBondContact O-N 2.83Å; Q87-G90 VanDerWaalsContact O-N 3.15Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 2.67Å |
| 91 | V | 91.4 | Very high | 89.9 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 126.1 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | L54 E56 Q87 K89 | L54-V91 HydrophobicContact CB-CG1 4.13Å; E56-V91 HydrophobicContact CG-CG1 4.38Å; E56-V91 HydrophobicContact CG-CG2 4.26Å; Q87-V91 HydrophobicContact CB-CB 4.34Å; Q87-V91 PolarHBondContact N-O 2.94Å; K89-V91 VanDerWaalsContact C-N 3.33Å; K89-V91 PolarHBondContact O-N 3.46Å |
| 92 | L | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.3 | 176.2 | 173.7 | 65.5 | 0 | 0 | 0 | 110.3 | L54 I55 W68 L76 W84 I94 Y105 | L54-L92 CarbonylContact C-O 3.56Å; L54-L92 WeakPolarHBondContact CA-O 3.27Å; I55-L92 HydrophobicContact CB-CB 4.23Å; I55-L92 HydrophobicContact CD1-CD2 4.2Å; I55-L92 PolarHBondContact N-O 3.24Å; I55-L92 PolarHBondContact O-N 2.77Å; W68-L92 HydrophobicContact CB-CD2 4.32Å; W68-L92 HydrophobicContact CD2-CB 3.83Å; W68-L92 HydrophobicContact CD2-CD2 3.86Å; W68-L92 HydrophobicContact CD2-CG 4.41Å; W68-L92 HydrophobicContact CE3-CD2 3.9Å; W68-L92 HydrophobicContact CG-CB 3.98Å; W68-L92 HydrophobicContact CG-CD1 4.48Å; W68-L92 HydrophobicContact CG-CD2 4.08Å; W68-L92 HydrophobicContact CG-CG 4.42Å; W68-L92 HydrophobicContact CZ2-CB 4.07Å; L76-L92 HydrophobicContact CB-CD1 4.4Å; L76-L92 HydrophobicContact CD1-CD1 4.29Å; L76-L92 HydrophobicContact CD1-CD2 3.77Å; W84-L92 HydrophobicContact CB-CD1 4.06Å; L92-I94 HydrophobicContact CG-CG1 4.29Å; L92-Y105 HydrophobicContact CD2-CD1 3.76Å; L92-Y105 HydrophobicContact CD2-CE1 4.18Å |
| 93 | N | 94.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 60.6 Ų | 60.6 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.2 | 171.2 | -173.5 | -0.6 | 0 | 0 | 0 | 110.5 | L54 W84 Q85 Q87 | L54-N93 HydrophobicContact CD2-CB 3.61Å; W84-N93 WeakPolarHBondContact CA-O 3.41Å; Q85-N93 HydrophobicContact CB-CB 4.32Å; Q85-N93 PolarHBondContact N-O 2.89Å; Q85-N93 PolarHBondContact O-N 2.86Å; Q87-N93 HydrophobicContact CG-CB 4.18Å |
| 94 | I | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 107.8 | 170.1 | -48.9 | -177.7 | 0 | 0 | 0 | 107 | S52 M53 I55 K83 L92 V97 Y105 L123 | S52-I94 CarbonylContact C-O 3.54Å; S52-I94 VanDerWaalsContact CA-O 3.23Å; S52-I94 WeakPolarHBondContact CA-O 3.41Å; M53-I94 PolarHBondContact N-O 3.19Å; M53-I94 PolarHBondContact O-N 3.02Å; I55-I94 HydrophobicContact CD1-CD1 3.89Å; K83-I94 HydrophobicContact CG-CG2 4.39Å; L92-I94 HydrophobicContact CG-CG1 4.29Å; I94-V97 HydrophobicContact CB-CG2 4.16Å; I94-V97 HydrophobicContact CG2-CG2 3.86Å; I94-Y105 HydrophobicContact CD1-CE1 4.31Å; I94-L123 HydrophobicContact CD1-CD2 3.83Å |
| 95 | S | 93.1 | Very high | 91.1 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -62.2 | -49.6 | -174.1 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | S52 K83 | S52-S95 VanDerWaalsContact CA-O 3.29Å; S52-S95 WeakPolarHBondContact CA-O 3.4Å; S52-S95 WeakPolarHBondContact CB-O 3.36Å; K83-S95 WeakPolarHBondContact CA-OG 3.46Å; K83-S95 PolarHBondContact O-N 3.41Å; K83-S95 PolarHBondContact O-OG 3.37Å |
| 96 | V | 93 | Very high | 91.2 | Very high | 86 Ų | 86 | 59.1 Ų | 59.1 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -132.6 | 102.8 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | K83 S98 | K83-V96 WeakPolarHBondContact CE-O 3.45Å; K83-V96 PolarHBondContact NZ-O 2.88Å; V96-S98 PolarHBondContact O-N 3.29Å |
| 97 | V | 93.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | trans | -69.6 | 131.2 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | A47 G50 S51 M53 I94 V125 | A47-V97 HydrophobicContact CB-CB 4.48Å; A47-V97 HydrophobicContact CB-CG1 3.99Å; A47-V97 HydrophobicContact CB-CG2 4.09Å; G50-V97 PolarHBondContact N-O 3.35Å; S51-V97 WeakPolarHBondContact O-CB 3.41Å; S51-V97 VanDerWaalsContact O-CG2 3.29Å; S51-V97 WeakPolarHBondContact O-CG2 3.45Å; S51-V97 PolarHBondContact O-N 2.77Å; M53-V97 HydrophobicContact CB-CG2 3.82Å; I94-V97 HydrophobicContact CB-CG2 4.16Å; I94-V97 HydrophobicContact CG2-CG2 3.86Å; V97-V125 HydrophobicContact CG1-CB 4.37Å; V97-V125 HydrophobicContact CG1-CG1 3.77Å; V97-V125 HydrophobicContact CG1-CG2 3.64Å | ||
| 98 | S | 91.4 | Very high | 91.4 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | trans | -116.3 | 156.5 | 174.8 | 67.7 | 0 | 0 | 0 | 0 | 109.8 | K83 V96 G100 D101 | K83-S98 PolarHBondContact NZ-OG 3.01Å; K83-S98 VanDerWaalsContact NZ-OG 3.1Å; V96-S98 PolarHBondContact O-N 3.29Å; S98-G100 PolarHBondContact O-N 2.89Å; S98-G100 VanDerWaalsContact O-N 3.09Å; S98-D101 WeakPolarHBondContact CA-OD2 3.18Å; S98-D101 WeakPolarHBondContact CB-OD2 3.36Å; S98-D101 PolarHBondContact N-OD2 3.48Å; S98-D101 WeakPolarHBondContact O-CB 3.48Å; S98-D101 PolarHBondContact O-N 2.79Å; S98-D101 PolarHBondContact OG-OD1 3.43Å; S98-D101 PolarHBondContact OG-OD2 2.75Å | ||
| 99 | F | 89.8 | Confident | 91.9 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 38% | 0.382 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -55.4 | -30.3 | 176 | -172 | -103.7 | 0 | 0 | 0 | 113.7 | E49 D101 R102 Y127 | E49-F99 PolarHBondContact OE1-N 2.99Å; F99-D101 PolarHBondContact O-N 3.21Å; F99-R102 WeakPolarHBondContact O-CD 3.34Å; F99-R102 WeakPolarHBondContact O-CG 3.18Å; F99-R102 PolarHBondContact O-N 3.3Å; F99-Y127 HydrophobicContact CD2-CD2 4.24Å |
| 100 | G | 89.9 | Confident | 92.4 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 63% | 0.629 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -69.6 | -15.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | S98 R102 | S98-G100 PolarHBondContact O-N 2.89Å; S98-G100 VanDerWaalsContact O-N 3.09Å; G100-R102 VanDerWaalsContact C-N 3.26Å; G100-R102 PolarHBondContact O-N 2.76Å |
| 101 | D | 91.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -80.4 | -10.1 | 179.3 | -59.5 | -45 | 0 | 0 | 0 | 113.1 | K83 S98 F99 G103 Y105 L123 | K83-D101 WeakPolarHBondContact CE-OD1 3.41Å; K83-D101 WeakPolarHBondContact CE-OD2 3.36Å; K83-D101 IonicContact NZ-OD1 3.22Å; K83-D101 PolarHBondContact NZ-OD1 3.3Å; K83-D101 IonicContact NZ-OD2 2.73Å; K83-D101 PolarHBondContact NZ-OD2 3.46Å; S98-D101 WeakPolarHBondContact CA-OD2 3.18Å; S98-D101 WeakPolarHBondContact CB-OD2 3.36Å; S98-D101 PolarHBondContact N-OD2 3.48Å; S98-D101 WeakPolarHBondContact O-CB 3.48Å; S98-D101 PolarHBondContact O-N 2.79Å; S98-D101 PolarHBondContact OG-OD1 3.43Å; S98-D101 PolarHBondContact OG-OD2 2.75Å; F99-D101 PolarHBondContact O-N 3.21Å; D101-G103 PolarHBondContact O-N 2.88Å; D101-Y105 WeakPolarHBondContact O-CE2 3.46Å; D101-Y105 PolarHBondContact O-OH 3.44Å; D101-L123 HydrophobicContact CB-CD2 4.24Å |
| 102 | R | 92.8 | Very high | 91.3 | Very high | 146 Ų | 146 | 41.1 Ų | 41.1 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | trans | -54.8 | 139.5 | 177.9 | 71.6 | -171 | 179.3 | 117.2 | -0.2 | 110.7 | F99 G100 L123 V125 | F99-R102 WeakPolarHBondContact O-CD 3.34Å; F99-R102 WeakPolarHBondContact O-CG 3.18Å; F99-R102 PolarHBondContact O-N 3.3Å; G100-R102 VanDerWaalsContact C-N 3.26Å; G100-R102 PolarHBondContact O-N 2.76Å; R102-L123 WeakPolarHBondContact CA-O 3.48Å; R102-V125 HydrophobicContact CB-CG2 4.07Å | ||
| 103 | G | 93.9 | Very high | 90.6 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 22% | 0.216 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.6 | -163.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D101 I122 L123 | D101-G103 PolarHBondContact O-N 2.88Å; G103-I122 CarbonylContact O-C 3.59Å; G103-L123 PolarHBondContact N-O 3.01Å; G103-L123 PolarHBondContact O-N 2.68Å |
| 104 | R | 95.1 | Very high | 89.7 | Confident | 133 Ų | 133 | 50.1 Ų | 50.1 | 50% | 0.502 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130 | -176.4 | -168.2 | -177.8 | -46 | -66.2 | -4.3 | 110.5 | N70 S71 T120 V121 | N70-R104 CarbonylContact C-O 3.58Å; N70-R104 VanDerWaalsContact C-O 3.23Å; S71-R104 WeakPolarHBondContact CA-O 3.29Å; S71-R104 PolarHBondContact N-O 2.92Å; R104-T120 HydrophobicContact CG-CG2 3.32Å; R104-V121 WeakPolarHBondContact CA-O 3.21Å |
| 105 | Y | 94.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.3 | 169.8 | -71.8 | -101.9 | 0 | 0 | 0 | 108.6 | I55 Y69 N70 L76 L92 I94 D101 T120 V121 L123 | I55-Y105 HydrophobicContact CD1-CG 4.44Å; Y69-Y105 WeakPolarHBondContact O-CA 3.44Å; N70-Y105 HydrophobicContact CB-CD1 4.37Å; N70-Y105 HydrophobicContact CB-CE1 3.99Å; L76-Y105 HydrophobicContact CD1-CD1 3.72Å; L76-Y105 HydrophobicContact CD1-CE1 3.61Å; L92-Y105 HydrophobicContact CD2-CD1 3.76Å; L92-Y105 HydrophobicContact CD2-CE1 4.18Å; I94-Y105 HydrophobicContact CD1-CE1 4.31Å; D101-Y105 WeakPolarHBondContact O-CE2 3.46Å; D101-Y105 PolarHBondContact O-OH 3.44Å; Y105-T120 WeakPolarHBondContact O-CA 3.46Å; Y105-V121 PolarHBondContact N-O 3.29Å; Y105-V121 PolarHBondContact O-N 3.47Å; Y105-L123 HydrophobicContact CD2-CB 3.75Å; Y105-L123 HydrophobicContact CD2-CD2 4.37Å; Y105-L123 HydrophobicContact CE2-CB 3.63Å; Y105-L123 HydrophobicContact CE2-CD2 3.62Å; Y105-L123 HydrophobicContact CE2-CG 4.27Å |
| 106 | T | 94.2 | Very high | 88.9 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 121.6 | -178.7 | -57 | 0 | 0 | 0 | 0 | 108.6 | Y69 V108 N118 Y119 T120 | Y69-T106 PolarHBondContact N-O 3.47Å; Y69-T106 PolarHBondContact O-N 3.42Å; T106-V108 HydrophobicContact CG2-CG2 4.45Å; T106-N118 HydrophobicContact CG2-CB 4.47Å; T106-Y119 CarbonylContact C-O 3.58Å; T106-Y119 WeakPolarHBondContact CA-O 3.22Å; T106-T120 PolarHBondContact OG1-OG1 3.42Å |
| 107 | C | 93 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 143.2 | 165.4 | 68 | 0 | 0 | 0 | 0 | 110.2 | C57 V66 R67 W68 N118 Y119 | C57-C107 VanDerWaalsContact CA-SG 3.6Å; C57-C107 HydrophobicContact CB-CB 3.78Å; C57-C107 WeakPolarHBondContact CB-SG 3.27Å; C57-C107 WeakPolarHBondContact SG-CB 3.02Å; C57-C107 CovalentContact SG-SG 2.04Å; C57-C107 PolarHBondContact SG-SG 3.33Å; V66-C107 HydrophobicContact CG1-CB 4.17Å; R67-C107 CarbonylContact O-C 3.23Å; R67-C107 VanDerWaalsContact O-CA 3.31Å; R67-C107 WeakPolarHBondContact O-CA 3.08Å; W68-C107 HydrophobicContact CD2-CB 3.63Å; W68-C107 HydrophobicContact CE3-CB 3.78Å; W68-C107 HydrophobicContact CG-CB 4.31Å; W68-C107 HydrophobicContact CH2-CB 3.74Å; W68-C107 HydrophobicContact CZ2-CB 3.62Å; W68-C107 HydrophobicContact CZ3-CB 3.82Å; C107-N118 CarbonylContact O-C 3.53Å; C107-N118 VanDerWaalsContact O-CA 3.24Å; C107-N118 WeakPolarHBondContact O-CA 3.38Å; C107-Y119 PolarHBondContact N-O 2.9Å; C107-Y119 PolarHBondContact O-N 3.49Å; C107-Y119 VanDerWaalsContact SG-CB 3.59Å |
| 108 | V | 92.2 | Very high | 88.6 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.127 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 109.9 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 106.3 | R67 Y69 T106 R117 N118 | R67-V108 PolarHBondContact N-O 2.86Å; R67-V108 PolarHBondContact O-N 2.96Å; Y69-V108 HydrophobicContact CD2-CG2 3.9Å; Y69-V108 HydrophobicContact CE2-CB 4.19Å; Y69-V108 HydrophobicContact CE2-CG2 3.68Å; T106-V108 HydrophobicContact CG2-CG2 4.45Å; V108-R117 WeakPolarHBondContact CA-O 3.25Å; V108-N118 WeakPolarHBondContact CG1-OD1 3.5Å; V108-N118 WeakPolarHBondContact CG2-OD1 3.32Å |
| 109 | A | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V59 E64 D65 V66 T116 R117 | V59-A109 HydrophobicContact CG2-CB 3.97Å; E64-A109 HydrophobicContact CB-CB 4.19Å; E64-A109 WeakPolarHBondContact OE2-CB 3.4Å; D65-A109 WeakPolarHBondContact O-CA 3.36Å; V66-A109 HydrophobicContact CG2-CB 4.16Å; A109-T116 CarbonylContact O-C 3.49Å; A109-T116 WeakPolarHBondContact O-CA 3.39Å; A109-R117 PolarHBondContact N-O 2.92Å; A109-R117 PolarHBondContact O-N 3.23Å |
| 110 | S | 87.9 | Confident | 88.8 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.8 | 175.7 | -169 | 0 | 0 | 0 | 0 | 109.7 | E64 D65 | E64-S110 WeakPolarHBondContact CA-O 3.13Å; D65-S110 PolarHBondContact N-O 3.09Å; D65-S110 PolarHBondContact O-N 2.92Å |
| 111 | T | 81.8 | Confident | 88.9 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 149.1 | 169.3 | -46.7 | 0 | 0 | 0 | 0 | 109.4 | E64 I113 G114 L115 | E64-T111 PolarHBondContact OE1-OG1 3.48Å; T111-I113 HydrophobicContact CG2-CG1 4.31Å; T111-I113 PolarHBondContact O-N 2.96Å; T111-G114 PolarHBondContact O-N 3.22Å; T111-L115 PolarHBondContact N-O 3.36Å |
| 112 | G | 75.6 | Confident | 89.1 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 84% | 0.835 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -12.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G114 | G112-G114 VanDerWaalsContact C-N 3.33Š|
| 113 | I | 78.1 | Confident | 89.2 | Confident | 161 Ų | 161 | 52.3 Ų | 52.3 | 83% | 0.826 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 9.3 | 176.7 | -44.4 | 169.6 | 0 | 0 | 0 | 111.6 | T111 L115 | T111-I113 HydrophobicContact CG2-CG1 4.31Å; T111-I113 PolarHBondContact O-N 2.96Å; I113-L115 VanDerWaalsContact C-N 3.34Å; I113-L115 PolarHBondContact O-N 2.95Å |
| 114 | G | 76.5 | Confident | 89.1 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 81.2 | 6.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T111 G112 | T111-G114 PolarHBondContact O-N 3.22Å; G112-G114 VanDerWaalsContact C-N 3.33Å |
| 115 | L | 83.3 | Confident | 89 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | trans | -77.4 | 133.1 | 171.9 | -174.2 | 61.8 | 0 | 0 | 0 | 109.9 | T111 I113 R117 | T111-L115 PolarHBondContact N-O 3.36Å; I113-L115 VanDerWaalsContact C-N 3.34Å; I113-L115 PolarHBondContact O-N 2.95Å; L115-R117 VanDerWaalsContact CD2-NH2 3.32Å | ||
| 116 | T | 87.5 | Confident | 88.7 | Confident | 80 Ų | 80 | 54 Ų | 54 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.2 | 178.1 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | A109 | A109-T116 CarbonylContact O-C 3.49Å; A109-T116 WeakPolarHBondContact O-CA 3.39Å |
| 117 | R | 89.1 | Confident | 87.9 | Confident | 99 Ų | 99 | 57 Ų | 57 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.5 | 176.3 | -65.8 | -171.8 | 179.6 | 94.3 | -3.1 | 110.1 | V59 E64 V108 A109 L115 | V59-R117 HydrophobicContact CB-CB 3.87Å; V59-R117 HydrophobicContact CG1-CB 4.13Å; V59-R117 HydrophobicContact CG2-CB 4.24Å; E64-R117 IonicContact OE1-NH1 2.76Å; E64-R117 PolarHBondContact OE1-NH1 2.97Å; V108-R117 WeakPolarHBondContact CA-O 3.25Å; A109-R117 PolarHBondContact N-O 2.92Å; A109-R117 PolarHBondContact O-N 3.23Å; L115-R117 VanDerWaalsContact CD2-NH2 3.32Å |
| 118 | N | 90.7 | Very high | 87 | Confident | 102 Ų | 102 | 58.6 Ų | 58.6 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.1 | -177.3 | -59.2 | -23.6 | 0 | 0 | 0 | 110.5 | T106 C107 V108 | T106-N118 HydrophobicContact CG2-CB 4.47Å; C107-N118 CarbonylContact O-C 3.53Å; C107-N118 VanDerWaalsContact O-CA 3.24Å; C107-N118 WeakPolarHBondContact O-CA 3.38Å; V108-N118 WeakPolarHBondContact CG1-OD1 3.5Å; V108-N118 WeakPolarHBondContact CG2-OD1 3.32Å |
| 119 | Y | 90.9 | Very high | 85.7 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.9 | 171.6 | 167.6 | -100.5 | 0 | 0 | 0 | 110.3 | R43 E56 N58 T106 C107 V121 | R43-Y119 PolarHBondContact NE-OH 3.19Å; R43-Y119 PolarHBondContact NH2-OH 2.96Å; E56-Y119 WeakPolarHBondContact O-CE1 3.1Å; N58-Y119 HydrophobicContact CB-CD1 4.26Å; N58-Y119 HydrophobicContact CB-CD2 3.95Å; N58-Y119 HydrophobicContact CB-CE1 4.21Å; N58-Y119 HydrophobicContact CB-CE2 3.94Å; N58-Y119 HydrophobicContact CB-CG 4.12Å; T106-Y119 CarbonylContact C-O 3.58Å; T106-Y119 WeakPolarHBondContact CA-O 3.22Å; C107-Y119 PolarHBondContact N-O 2.9Å; C107-Y119 PolarHBondContact O-N 3.49Å; C107-Y119 VanDerWaalsContact SG-CB 3.59Å; Y119-V121 HydrophobicContact CE1-CB 4.19Å |
| 120 | T | 92.9 | Very high | 84.5 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 39% | 0.393 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.3 | -173.1 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | R104 Y105 T106 | R104-T120 HydrophobicContact CG-CG2 3.32Å; Y105-T120 WeakPolarHBondContact O-CA 3.46Å; T106-T120 PolarHBondContact OG1-OG1 3.42Å |
| 121 | V | 93.9 | Very high | 83.4 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.5 | 178.1 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | R43 I45 I55 W68 R104 Y105 Y119 | R43-V121 VanDerWaalsContact O-CG2 3.25Å; R43-V121 WeakPolarHBondContact O-CG2 3.18Å; I45-V121 HydrophobicContact CB-CG2 4.43Å; I45-V121 HydrophobicContact CD1-CG1 4.4Å; I45-V121 HydrophobicContact CD1-CG2 4.01Å; I45-V121 HydrophobicContact CG1-CG2 3.92Å; I45-V121 HydrophobicContact CG2-CG2 3.82Å; I55-V121 HydrophobicContact CG2-CG1 3.68Å; W68-V121 HydrophobicContact CZ3-CG1 4.45Å; R104-V121 WeakPolarHBondContact CA-O 3.21Å; Y105-V121 PolarHBondContact N-O 3.29Å; Y105-V121 PolarHBondContact O-N 3.47Å; Y119-V121 HydrophobicContact CE1-CB 4.19Å |
| 122 | I | 94.8 | Very high | 83 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 26% | 0.256 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113 | 176.1 | -59.3 | 175.6 | 0 | 0 | 0 | 108.9 | R43 Y44 I45 G103 R124 | R43-I122 PolarHBondContact O-N 3.2Å; Y44-I122 CarbonylContact C-O 3.51Å; Y44-I122 WeakPolarHBondContact CA-O 3.29Å; I45-I122 PolarHBondContact N-O 2.8Å; G103-I122 CarbonylContact O-C 3.59Å; I122-R124 HydrophobicContact CG2-CG 4.48Å; I122-R124 PolarHBondContact O-N 3.49Å |
| 123 | L | 94.4 | Very high | 83.2 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 114.1 | 171.5 | -177.4 | 62.8 | 0 | 0 | 0 | 109.7 | I45 A47 I94 D101 R102 G103 Y105 V125 | I45-L123 HydrophobicContact CD1-CD1 3.9Å; I45-L123 HydrophobicContact CG1-CB 4.41Å; I45-L123 HydrophobicContact CG1-CD1 3.78Å; A47-L123 HydrophobicContact CB-CD1 3.76Å; I94-L123 HydrophobicContact CD1-CD2 3.83Å; D101-L123 HydrophobicContact CB-CD2 4.24Å; R102-L123 WeakPolarHBondContact CA-O 3.48Å; G103-L123 PolarHBondContact N-O 3.01Å; G103-L123 PolarHBondContact O-N 2.68Å; Y105-L123 HydrophobicContact CD2-CB 3.75Å; Y105-L123 HydrophobicContact CD2-CD2 4.37Å; Y105-L123 HydrophobicContact CE2-CB 3.63Å; Y105-L123 HydrophobicContact CE2-CD2 3.62Å; Y105-L123 HydrophobicContact CE2-CG 4.27Å; L123-V125 HydrophobicContact CD2-CG2 4.47Å; L123-V125 HydrophobicContact CG-CG2 4.24Å |
| 124 | R | 93.6 | Very high | 83.4 | Confident | 132 Ų | 132 | 64.8 Ų | 64.8 | 50% | 0.498 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.8 | 166.2 | -62.8 | -173.9 | -177.8 | -162.9 | 1.1 | 108.3 | Y44 I45 L46 A47 I122 | Y44-R124 HydrophobicContact CD2-CG 4.44Å; I45-R124 PolarHBondContact O-N 2.82Å; L46-R124 WeakPolarHBondContact CA-O 3.23Å; L46-R124 HydrophobicContact CD1-CB 3.93Å; A47-R124 PolarHBondContact N-O 2.88Å; I122-R124 HydrophobicContact CG2-CG 4.48Å; I122-R124 PolarHBondContact O-N 3.49Å |
| 125 | V | 92.4 | Very high | 83.9 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 11% | 0.109 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.9 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | A47 E49 V97 R102 L123 Y127 | A47-V125 CarbonylContact O-C 3.58Å; A47-V125 VanDerWaalsContact O-CA 3.29Å; A47-V125 WeakPolarHBondContact O-CA 3.29Å; E49-V125 HydrophobicContact CB-CG1 4.02Å; V97-V125 HydrophobicContact CG1-CB 4.37Å; V97-V125 HydrophobicContact CG1-CG1 3.77Å; V97-V125 HydrophobicContact CG1-CG2 3.64Å; R102-V125 HydrophobicContact CB-CG2 4.07Å; L123-V125 HydrophobicContact CD2-CG2 4.47Å; L123-V125 HydrophobicContact CG-CG2 4.24Å; V125-Y127 PolarHBondContact O-N 3.4Å |
| 126 | A | 88.2 | Confident | 84 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 111.9 | 168 | 0 | 0 | 0 | 0 | 0 | 107.9 | L46 A47 E49 T128 | L46-A126 HydrophobicContact CD1-CB 4.04Å; L46-A126 HydrophobicContact CG-CB 4.46Å; A47-A126 PolarHBondContact O-N 3.3Å; E49-A126 PolarHBondContact N-O 3.27Å; A126-T128 PolarHBondContact O-N 3Å; A126-T128 VanDerWaalsContact O-N 3.16Å |
| 127 | Y | 78.2 | Confident | 84.1 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 37% | 0.373 | 37% | 0.366 | S | S | . | . | trans | -60.4 | 116.8 | 175.4 | -175 | -108.8 | 0 | 0 | 0 | 109.2 | E49 F99 V125 N129 L132 | E49-Y127 WeakPolarHBondContact OE2-CD2 3.25Å; E49-Y127 VanDerWaalsContact OE2-CE2 3.27Å; E49-Y127 WeakPolarHBondContact OE2-CE2 3.16Å; F99-Y127 HydrophobicContact CD2-CD2 4.24Å; V125-Y127 PolarHBondContact O-N 3.4Å; Y127-N129 HydrophobicContact CE1-CB 4.39Å; Y127-N129 WeakPolarHBondContact CE1-OD1 3.47Å; Y127-N129 PolarHBondContact O-N 3.36Å; Y127-L132 HydrophobicContact CE1-CB 4.46Å; Y127-L132 HydrophobicContact CE1-CD1 4.3Å; Y127-L132 WeakPolarHBondContact OH-CD1 3.46Å; Y127-L132 WeakPolarHBondContact OH-CG 3.38Å | ||
| 128 | T | 72.8 | Confident | 84.2 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | trans | -82.8 | 114.9 | 168.1 | 55 | 0 | 0 | 0 | 0 | 105.8 | K48 E49 A126 S130 | K48-T128 HydrophobicContact CD-CG2 3.79Å; K48-T128 HydrophobicContact CG-CG2 3.19Å; E49-T128 HydrophobicContact CB-CG2 4.2Å; E49-T128 WeakPolarHBondContact O-CG2 3.42Å; A126-T128 PolarHBondContact O-N 3Å; A126-T128 VanDerWaalsContact O-N 3.16Å; T128-S130 PolarHBondContact O-N 3.46Å; T128-S130 PolarHBondContact O-OG 3.39Å | ||
| 129 | N | 65.8 | Low | 84.3 | Confident | 99 Ų | 99 | 69 Ų | 69 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | trans | -61.1 | 85.6 | 177.8 | -119.5 | -35.2 | 0 | 0 | 0 | 109.7 | Y127 G131 G133 | Y127-N129 HydrophobicContact CE1-CB 4.39Å; Y127-N129 WeakPolarHBondContact CE1-OD1 3.47Å; Y127-N129 PolarHBondContact O-N 3.36Å; N129-G131 PolarHBondContact O-N 2.91Å; N129-G133 WeakPolarHBondContact OD1-CA 3.31Å; N129-G133 PolarHBondContact OD1-N 3.42Å | ||
| 130 | S | 65.6 | Low | 84.5 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 70% | 0.699 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -74.3 | 30 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | T128 | T128-S130 PolarHBondContact O-N 3.46Å; T128-S130 PolarHBondContact O-OG 3.39Å |
| 131 | G | 64.5 | Low | 84.6 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 115.3 | -11.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | N129 L134 Y135 | N129-G131 PolarHBondContact O-N 2.91Å; G131-L134 PolarHBondContact O-N 2.89Å; G131-Y135 WeakPolarHBondContact O-CB 3.27Å; G131-Y135 PolarHBondContact O-N 2.9Å |
| 132 | L | 74.8 | Confident | 84.7 | Confident | 88 Ų | 88 | 76.2 Ų | 76.2 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 178.8 | -73.7 | -176.6 | 0 | 0 | 0 | 112.2 | Y127 L134 Y135 F136 | Y127-L132 HydrophobicContact CE1-CB 4.46Å; Y127-L132 HydrophobicContact CE1-CD1 4.3Å; Y127-L132 WeakPolarHBondContact OH-CD1 3.46Å; Y127-L132 WeakPolarHBondContact OH-CG 3.38Å; L132-L134 PolarHBondContact O-N 3.32Å; L132-Y135 WeakPolarHBondContact O-CB 3.35Å; L132-Y135 PolarHBondContact O-N 3.27Å; L132-F136 HydrophobicContact CB-CD2 4.48Å; L132-F136 HydrophobicContact CB-CE2 4.18Å; L132-F136 WeakPolarHBondContact O-CD2 2.92Å; L132-F136 PolarHBondContact O-N 2.93Å |
| 133 | G | 78.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 21% | 0.206 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N129 F136 V137 | N129-G133 WeakPolarHBondContact OD1-CA 3.31Å; N129-G133 PolarHBondContact OD1-N 3.42Å; G133-F136 PolarHBondContact O-N 3.39Å; G133-V137 VanDerWaalsContact O-CG2 3.27Å; G133-V137 WeakPolarHBondContact O-CG2 3.42Å; G133-V137 PolarHBondContact O-N 2.82Å |
| 134 | L | 81.8 | Confident | 84.9 | Confident | 120 Ų | 120 | 82.2 Ų | 82.2 | 63% | 0.628 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 174.7 | -67.2 | 176 | 0 | 0 | 0 | 111.7 | G131 L132 V137 I138 | G131-L134 PolarHBondContact O-N 2.89Å; L132-L134 PolarHBondContact O-N 3.32Å; L134-V137 PolarHBondContact O-N 2.9Å; L134-I138 WeakPolarHBondContact O-CB 3.27Å; L134-I138 WeakPolarHBondContact O-CD1 3.41Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.33Å |
| 135 | Y | 87.5 | Confident | 85 | Confident | 145 Ų | 145 | 78.4 Ų | 78.4 | 57% | 0.569 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.3 | -47.7 | 174.3 | 172.6 | -94.5 | 0 | 0 | 0 | 111.3 | G131 L132 V137 I138 V139 | G131-Y135 WeakPolarHBondContact O-CB 3.27Å; G131-Y135 PolarHBondContact O-N 2.9Å; L132-Y135 WeakPolarHBondContact O-CB 3.35Å; L132-Y135 PolarHBondContact O-N 3.27Å; Y135-V137 PolarHBondContact O-N 3.47Å; Y135-I138 PolarHBondContact O-N 2.89Å; Y135-V139 HydrophobicContact CD1-CG2 4.28Å; Y135-V139 HydrophobicContact CD2-CG2 4.43Å; Y135-V139 HydrophobicContact CE1-CG2 3.92Å; Y135-V139 HydrophobicContact CE2-CG2 4.09Å; Y135-V139 WeakPolarHBondContact O-CB 3.42Å; Y135-V139 VanDerWaalsContact O-CG2 3.25Å; Y135-V139 WeakPolarHBondContact O-CG2 3.34Å; Y135-V139 PolarHBondContact O-N 3.46Å |
| 136 | F | 86.4 | Confident | 85.1 | Confident | 124 Ų | 124 | 82 Ų | 82 | 54% | 0.544 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 176.1 | -70.5 | -62.7 | 0 | 0 | 0 | 112.1 | L132 G133 I138 V139 C140 | L132-F136 HydrophobicContact CB-CD2 4.48Å; L132-F136 HydrophobicContact CB-CE2 4.18Å; L132-F136 WeakPolarHBondContact O-CD2 2.92Å; L132-F136 PolarHBondContact O-N 2.93Å; G133-F136 PolarHBondContact O-N 3.39Å; F136-I138 PolarHBondContact O-N 3.36Å; F136-V139 PolarHBondContact O-N 2.89Å; F136-C140 WeakPolarHBondContact O-CB 3.31Å; F136-C140 PolarHBondContact O-N 2.84Å; F136-C140 PolarHBondContact O-SG 3.12Å |
| 137 | V | 88.6 | Confident | 85.4 | Confident | 82 Ų | 82 | 82 Ų | 82 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 111 | G133 L134 Y135 C140 L141 | G133-V137 VanDerWaalsContact O-CG2 3.27Å; G133-V137 WeakPolarHBondContact O-CG2 3.42Å; G133-V137 PolarHBondContact O-N 2.82Å; L134-V137 PolarHBondContact O-N 2.9Å; Y135-V137 PolarHBondContact O-N 3.47Å; V137-C140 PolarHBondContact O-N 3.37Å; V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 HydrophobicContact CG1-CG 4.48Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.31Å; V137-L141 PolarHBondContact O-N 2.92Å |
| 138 | I | 91.3 | Very high | 86.2 | Confident | 101 Ų | 101 | 82.4 Ų | 82.4 | 52% | 0.518 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.3 | -68.1 | 163.4 | 0 | 0 | 0 | 110.7 | L134 Y135 F136 C140 L141 V142 | L134-I138 WeakPolarHBondContact O-CB 3.27Å; L134-I138 WeakPolarHBondContact O-CD1 3.41Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.33Å; Y135-I138 PolarHBondContact O-N 2.89Å; F136-I138 PolarHBondContact O-N 3.36Å; I138-C140 VanDerWaalsContact C-N 3.32Å; I138-C140 PolarHBondContact O-N 3.49Å; I138-L141 PolarHBondContact O-N 3.47Å; I138-V142 HydrophobicContact CG2-CG2 4.37Å; I138-V142 WeakPolarHBondContact O-CG2 3.34Å; I138-V142 PolarHBondContact O-N 3.28Å |
| 139 | V | 93.8 | Very high | 87.2 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 40% | 0.4 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 111 | Y135 F136 V142 A143 | Y135-V139 HydrophobicContact CD1-CG2 4.28Å; Y135-V139 HydrophobicContact CD2-CG2 4.43Å; Y135-V139 HydrophobicContact CE1-CG2 3.92Å; Y135-V139 HydrophobicContact CE2-CG2 4.09Å; Y135-V139 WeakPolarHBondContact O-CB 3.42Å; Y135-V139 VanDerWaalsContact O-CG2 3.25Å; Y135-V139 WeakPolarHBondContact O-CG2 3.34Å; Y135-V139 PolarHBondContact O-N 3.46Å; F136-V139 PolarHBondContact O-N 2.89Å; V139-V142 PolarHBondContact O-N 3.45Å; V139-A143 WeakPolarHBondContact O-CB 3.38Å; V139-A143 PolarHBondContact O-N 3.22Å |
| 140 | C | 94.1 | Very high | 88.5 | Confident | 62 Ų | 62 | 84.6 Ų | 84.6 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 176 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | F136 V137 I138 A143 F144 | F136-C140 WeakPolarHBondContact O-CB 3.31Å; F136-C140 PolarHBondContact O-N 2.84Å; F136-C140 PolarHBondContact O-SG 3.12Å; V137-C140 PolarHBondContact O-N 3.37Å; I138-C140 VanDerWaalsContact C-N 3.32Å; I138-C140 PolarHBondContact O-N 3.49Å; C140-A143 PolarHBondContact O-N 3.19Å; C140-F144 WeakPolarHBondContact O-CB 3.25Å; C140-F144 PolarHBondContact O-N 3.1Å |
| 141 | L | 95.2 | Very high | 89.5 | Confident | 114 Ų | 114 | 84 Ų | 84 | 60% | 0.597 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 178.1 | -71.1 | 174.7 | 0 | 0 | 0 | 112 | V137 I138 F144 A145 | V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 HydrophobicContact CG1-CG 4.48Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.31Å; V137-L141 PolarHBondContact O-N 2.92Å; I138-L141 PolarHBondContact O-N 3.47Å; L141-F144 PolarHBondContact O-N 2.9Å; L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 3.12Å |
| 142 | V | 96.5 | Very high | 91 | Very high | 80 Ų | 80 | 86.3 Ų | 86.3 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 176.5 | 172 | 0 | 0 | 0 | 0 | 110.5 | I138 V139 F144 A145 I146 | I138-V142 HydrophobicContact CG2-CG2 4.37Å; I138-V142 WeakPolarHBondContact O-CG2 3.34Å; I138-V142 PolarHBondContact O-N 3.28Å; V139-V142 PolarHBondContact O-N 3.45Å; V142-F144 PolarHBondContact O-N 3.15Å; V142-A145 PolarHBondContact O-N 3.5Å; V142-I146 HydrophobicContact CG1-CD1 3.82Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.34Å; V142-I146 PolarHBondContact O-N 3.19Å |
| 143 | A | 95.8 | Very high | 91.8 | Very high | 33 Ų | 33 | 84.5 Ų | 84.5 | 27% | 0.273 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V139 C140 I146 T147 | V139-A143 WeakPolarHBondContact O-CB 3.38Å; V139-A143 PolarHBondContact O-N 3.22Å; C140-A143 PolarHBondContact O-N 3.19Å; A143-I146 PolarHBondContact O-N 3.14Å; A143-T147 WeakPolarHBondContact O-CG2 3.26Å; A143-T147 PolarHBondContact O-N 3.15Å; A143-T147 PolarHBondContact O-OG1 3.01Å |
| 144 | F | 96.6 | Very high | 92.4 | Very high | 144 Ų | 144 | 89.2 Ų | 89.2 | 63% | 0.632 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 178.6 | -172.7 | -97.4 | 0 | 0 | 0 | 112.8 | C140 L141 V142 I146 T147 M148 | C140-F144 WeakPolarHBondContact O-CB 3.25Å; C140-F144 PolarHBondContact O-N 3.1Å; L141-F144 PolarHBondContact O-N 2.9Å; V142-F144 PolarHBondContact O-N 3.15Å; F144-I146 VanDerWaalsContact C-N 3.35Å; F144-I146 PolarHBondContact O-N 3.25Å; F144-T147 WeakPolarHBondContact CA-OG1 3.45Å; F144-T147 PolarHBondContact O-N 3.1Å; F144-T147 PolarHBondContact O-OG1 3.35Å; F144-M148 WeakPolarHBondContact O-CB 3.34Å; F144-M148 PolarHBondContact O-N 3.29Å |
| 145 | A | 95.8 | Very high | 92.9 | Very high | 52 Ų | 52 | 89.5 Ų | 89.5 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L141 V142 M148 V149 | L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 3.12Å; V142-A145 PolarHBondContact O-N 3.5Å; A145-M148 PolarHBondContact O-N 3.48Å; A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 2.99Å |
| 146 | I | 95.6 | Very high | 93 | Very high | 93 Ų | 93 | 85.6 Ų | 85.6 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.9 | -66.7 | 165.9 | 0 | 0 | 0 | 110.6 | V142 A143 F144 M148 V149 L150 | V142-I146 HydrophobicContact CG1-CD1 3.82Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.34Å; V142-I146 PolarHBondContact O-N 3.19Å; A143-I146 PolarHBondContact O-N 3.14Å; F144-I146 VanDerWaalsContact C-N 3.35Å; F144-I146 PolarHBondContact O-N 3.25Å; I146-M148 VanDerWaalsContact C-N 3.34Å; I146-M148 PolarHBondContact O-N 3.38Å; I146-V149 PolarHBondContact O-N 3.49Å; I146-L150 HydrophobicContact CG2-CD1 3.82Å; I146-L150 HydrophobicContact CG2-CG 4.26Å; I146-L150 WeakPolarHBondContact O-CB 3.44Å; I146-L150 VanDerWaalsContact O-CG 3.26Å; I146-L150 WeakPolarHBondContact O-CG 3.34Å; I146-L150 PolarHBondContact O-N 2.93Å |
| 147 | T | 93.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 85.6 Ų | 85.6 | 27% | 0.27 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 179 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | A143 F144 L150 N151 | A143-T147 WeakPolarHBondContact O-CG2 3.26Å; A143-T147 PolarHBondContact O-N 3.15Å; A143-T147 PolarHBondContact O-OG1 3.01Å; F144-T147 WeakPolarHBondContact CA-OG1 3.45Å; F144-T147 PolarHBondContact O-N 3.1Å; F144-T147 PolarHBondContact O-OG1 3.35Å; T147-L150 PolarHBondContact O-N 2.96Å; T147-N151 VanDerWaalsContact O-CB 3.25Å; T147-N151 WeakPolarHBondContact O-CB 3.47Å; T147-N151 PolarHBondContact O-N 3.42Å; T147-N151 PolarHBondContact O-ND2 2.96Å |
| 148 | M | 94.7 | Very high | 93.3 | Very high | 103 Ų | 103 | 85.7 Ų | 85.7 | 51% | 0.507 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 175.5 | -166.2 | -159.8 | 84.2 | 0 | 0 | 111.1 | F144 A145 I146 L150 N151 V152 | F144-M148 WeakPolarHBondContact O-CB 3.34Å; F144-M148 PolarHBondContact O-N 3.29Å; A145-M148 PolarHBondContact O-N 3.48Å; I146-M148 VanDerWaalsContact C-N 3.34Å; I146-M148 PolarHBondContact O-N 3.38Å; M148-L150 PolarHBondContact O-N 3.35Å; M148-N151 PolarHBondContact O-N 2.94Å; M148-V152 VanDerWaalsContact O-CG2 3.31Å; M148-V152 WeakPolarHBondContact O-CG2 3.44Å; M148-V152 PolarHBondContact O-N 3.46Å |
| 149 | V | 94.6 | Very high | 93.1 | Very high | 90 Ų | 90 | 83.7 Ų | 83.7 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | A145 I146 N151 V152 A153 | A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 2.99Å; I146-V149 PolarHBondContact O-N 3.49Å; V149-N151 VanDerWaalsContact C-N 3.33Å; V149-N151 PolarHBondContact O-N 2.83Å; V149-V152 PolarHBondContact O-N 3.26Å; V149-A153 WeakPolarHBondContact O-CB 3.24Å; V149-A153 PolarHBondContact O-N 3.15Å |
| 150 | L | 92.1 | Very high | 93 | Very high | 88 Ų | 88 | 84.1 Ų | 84.1 | 46% | 0.461 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 177.7 | -70 | 175.8 | 0 | 0 | 0 | 112.2 | I146 T147 M148 A153 R154 | I146-L150 HydrophobicContact CG2-CD1 3.82Å; I146-L150 HydrophobicContact CG2-CG 4.26Å; I146-L150 WeakPolarHBondContact O-CB 3.44Å; I146-L150 VanDerWaalsContact O-CG 3.26Å; I146-L150 WeakPolarHBondContact O-CG 3.34Å; I146-L150 PolarHBondContact O-N 2.93Å; T147-L150 PolarHBondContact O-N 2.96Å; M148-L150 PolarHBondContact O-N 3.35Å; L150-A153 PolarHBondContact O-N 3.09Å; L150-R154 PolarHBondContact O-N 3.37Å |
| 151 | N | 88.2 | Confident | 92.4 | Very high | 88 Ų | 88 | 87.5 Ų | 87.5 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 177.8 | -73.1 | -20 | 0 | 0 | 0 | 111.4 | T147 M148 V149 R154 L155 | T147-N151 VanDerWaalsContact O-CB 3.25Å; T147-N151 WeakPolarHBondContact O-CB 3.47Å; T147-N151 PolarHBondContact O-N 3.42Å; T147-N151 PolarHBondContact O-ND2 2.96Å; M148-N151 PolarHBondContact O-N 2.94Å; V149-N151 VanDerWaalsContact C-N 3.33Å; V149-N151 PolarHBondContact O-N 2.83Å; N151-R154 PolarHBondContact O-N 2.95Å; N151-L155 WeakPolarHBondContact O-CB 3.46Å; N151-L155 PolarHBondContact O-N 3.35Å |
| 152 | V | 94.8 | Very high | 91.7 | Very high | 76 Ų | 76 | 87.1 Ų | 87.1 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | M148 V149 R154 L155 C156 | M148-V152 VanDerWaalsContact O-CG2 3.31Å; M148-V152 WeakPolarHBondContact O-CG2 3.44Å; M148-V152 PolarHBondContact O-N 3.46Å; V149-V152 PolarHBondContact O-N 3.26Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 3.41Å; V152-L155 PolarHBondContact O-N 3.11Å; V152-L155 VanDerWaalsContact O-N 3.15Å; V152-C156 WeakPolarHBondContact O-CB 3.37Å; V152-C156 PolarHBondContact O-N 3.35Å; V152-C156 PolarHBondContact O-SG 2.73Å |
| 153 | A | 92.6 | Very high | 91.3 | Very high | 49 Ų | 49 | 90.5 Ų | 90.5 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V149 L150 C156 M157 | V149-A153 WeakPolarHBondContact O-CB 3.24Å; V149-A153 PolarHBondContact O-N 3.15Å; L150-A153 PolarHBondContact O-N 3.09Å; A153-C156 PolarHBondContact O-N 3.36Å; A153-M157 WeakPolarHBondContact O-CB 3.5Å; A153-M157 VanDerWaalsContact O-CG 3.24Å; A153-M157 WeakPolarHBondContact O-CG 3.45Å; A153-M157 PolarHBondContact O-N 3.24Å |
| 154 | R | 91.3 | Very high | 90.9 | Very high | 119 Ų | 119 | 94.2 Ų | 94.2 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 173.2 | -81.7 | -161.9 | -147.9 | -98.7 | 5.1 | 111.9 | L150 N151 V152 C156 M157 V158 | L150-R154 PolarHBondContact O-N 3.37Å; N151-R154 PolarHBondContact O-N 2.95Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 3.41Å; R154-C156 VanDerWaalsContact C-N 3.32Å; R154-C156 PolarHBondContact O-N 3.47Å; R154-M157 PolarHBondContact O-N 3.17Å; R154-V158 WeakPolarHBondContact O-CG2 3.24Å; R154-V158 PolarHBondContact O-N 3.15Å |
| 155 | L | 91.8 | Very high | 90.3 | Very high | 126 Ų | 126 | 90.6 Ų | 90.6 | 66% | 0.66 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 179.6 | -176.7 | 64.5 | 0 | 0 | 0 | 110.6 | N151 V152 V158 S159 | N151-L155 WeakPolarHBondContact O-CB 3.46Å; N151-L155 PolarHBondContact O-N 3.35Å; V152-L155 PolarHBondContact O-N 3.11Å; V152-L155 VanDerWaalsContact O-N 3.15Å; L155-V158 PolarHBondContact O-N 3.01Å; L155-S159 VanDerWaalsContact O-CB 3.3Å; L155-S159 WeakPolarHBondContact O-CB 3.39Å; L155-S159 PolarHBondContact O-N 2.86Å; L155-S159 PolarHBondContact O-OG 3.37Å |
| 156 | C | 89.7 | Confident | 89.8 | Confident | 64 Ų | 64 | 94.4 Ų | 94.4 | 43% | 0.432 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.9 | -49.9 | 175.3 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | V152 A153 R154 V158 S159 S160 | V152-C156 WeakPolarHBondContact O-CB 3.37Å; V152-C156 PolarHBondContact O-N 3.35Å; V152-C156 PolarHBondContact O-SG 2.73Å; A153-C156 PolarHBondContact O-N 3.36Å; R154-C156 VanDerWaalsContact C-N 3.32Å; R154-C156 PolarHBondContact O-N 3.47Å; C156-V158 VanDerWaalsContact C-N 3.34Å; C156-V158 PolarHBondContact O-N 3.31Å; C156-S159 WeakPolarHBondContact CA-OG 3.46Å; C156-S159 PolarHBondContact O-N 3.37Å; C156-S159 PolarHBondContact O-OG 3.2Å; C156-S160 PolarHBondContact O-N 3.35Å; C156-S160 PolarHBondContact O-OG 3.35Å |
| 157 | M | 89.7 | Confident | 89.3 | Confident | 123 Ų | 123 | 95.9 Ų | 95.9 | 61% | 0.606 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.9 | -42 | 178.6 | -71.9 | -68.2 | -66.2 | 0 | 0 | 112.9 | A153 R154 H161 | A153-M157 WeakPolarHBondContact O-CB 3.5Å; A153-M157 VanDerWaalsContact O-CG 3.24Å; A153-M157 WeakPolarHBondContact O-CG 3.45Å; A153-M157 PolarHBondContact O-N 3.24Å; R154-M157 PolarHBondContact O-N 3.17Å; M157-H161 PolarHBondContact O-CD2 3.42Å; M157-H161 PolarHBondContact O-N 2.97Å; M157-H161 VanDerWaalsContact O-N 3.15Å |
| 158 | V | 91.5 | Very high | 88.8 | Confident | 84 Ų | 84 | 98 Ų | 98 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | R154 L155 C156 S160 H161 L162 | R154-V158 WeakPolarHBondContact O-CG2 3.24Å; R154-V158 PolarHBondContact O-N 3.15Å; L155-V158 PolarHBondContact O-N 3.01Å; C156-V158 VanDerWaalsContact C-N 3.34Å; C156-V158 PolarHBondContact O-N 3.31Å; V158-S160 VanDerWaalsContact C-N 3.3Å; V158-S160 PolarHBondContact O-N 2.83Å; V158-H161 PolarHBondContact O-N 3.48Å; V158-L162 HydrophobicContact CG1-CD1 4.12Å; V158-L162 HydrophobicContact CG1-CG 4.35Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.26Å |
| 159 | S | 86.2 | Confident | 87.9 | Confident | 60 Ų | 60 | 97.4 Ų | 97.4 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 178.7 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | L155 C156 L162 K163 | L155-S159 VanDerWaalsContact O-CB 3.3Å; L155-S159 WeakPolarHBondContact O-CB 3.39Å; L155-S159 PolarHBondContact O-N 2.86Å; L155-S159 PolarHBondContact O-OG 3.37Å; C156-S159 WeakPolarHBondContact CA-OG 3.46Å; C156-S159 PolarHBondContact O-N 3.37Å; C156-S159 PolarHBondContact O-OG 3.2Å; S159-L162 PolarHBondContact O-N 3.03Å; S159-K163 WeakPolarHBondContact O-CB 3.42Å; S159-K163 PolarHBondContact O-N 3.36Å |
| 160 | S | 91.9 | Very high | 87.1 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | C156 V158 K163 E164 | C156-S160 PolarHBondContact O-N 3.35Å; C156-S160 PolarHBondContact O-OG 3.35Å; V158-S160 VanDerWaalsContact C-N 3.3Å; V158-S160 PolarHBondContact O-N 2.83Å; S160-K163 PolarHBondContact O-N 2.93Å; S160-E164 PolarHBondContact O-N 2.93Å |
| 161 | H | 82.9 | Confident | 86.5 | Confident | 133 Ų | 133 | 98.4 Ų | 98.4 | 62% | 0.616 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 174.3 | -95.4 | -71.5 | 0 | 0 | 0 | 112.1 | M157 V158 K163 E164 T165 | M157-H161 PolarHBondContact O-CD2 3.42Å; M157-H161 PolarHBondContact O-N 2.97Å; M157-H161 VanDerWaalsContact O-N 3.15Å; V158-H161 PolarHBondContact O-N 3.48Å; H161-K163 VanDerWaalsContact C-N 3.34Å; H161-K163 PolarHBondContact O-N 3.49Å; H161-E164 PolarHBondContact O-N 3.35Å; H161-T165 WeakPolarHBondContact O-CG2 3.42Å; H161-T165 PolarHBondContact O-N 3.47Å; H161-T165 PolarHBondContact O-OG1 3.46Å |
| 162 | L | 80 | Confident | 85.6 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 177 | -72 | 177 | 0 | 0 | 0 | 111.5 | V158 S159 E164 T165 E166 | V158-L162 HydrophobicContact CG1-CD1 4.12Å; V158-L162 HydrophobicContact CG1-CG 4.35Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.26Å; S159-L162 PolarHBondContact O-N 3.03Å; L162-E164 VanDerWaalsContact C-N 3.31Å; L162-E164 PolarHBondContact O-N 2.9Å; L162-T165 VanDerWaalsContact CA-OG1 3.3Å; L162-T165 WeakPolarHBondContact CA-OG1 3.3Å; L162-T165 PolarHBondContact O-N 3.01Å; L162-T165 PolarHBondContact O-OG1 3.49Å; L162-E166 WeakPolarHBondContact O-CB 3.5Å; L162-E166 PolarHBondContact O-N 2.81Å |
| 163 | K | 87.1 | Confident | 84.3 | Confident | 150 Ų | 150 | 100.4 Ų | 100.4 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -38.5 | 176.2 | -170.1 | 174.7 | -177.7 | 176.6 | 0 | 112.4 | S159 S160 H161 E166 K167 | S159-K163 WeakPolarHBondContact O-CB 3.42Å; S159-K163 PolarHBondContact O-N 3.36Å; S160-K163 PolarHBondContact O-N 2.93Å; H161-K163 VanDerWaalsContact C-N 3.34Å; H161-K163 PolarHBondContact O-N 3.49Å; K163-E166 PolarHBondContact O-N 3.37Å; K163-K167 WeakPolarHBondContact O-CB 3.41Å; K163-K167 PolarHBondContact O-N 2.88Å |
| 164 | E | 88.7 | Confident | 83.2 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 175 | -161.2 | 63.1 | -154.3 | 0 | 0 | 111.5 | S160 H161 L162 K167 T168 | S160-E164 PolarHBondContact O-N 2.93Å; H161-E164 PolarHBondContact O-N 3.35Å; L162-E164 VanDerWaalsContact C-N 3.31Å; L162-E164 PolarHBondContact O-N 2.9Å; E164-K167 PolarHBondContact O-N 2.7Å; E164-T168 WeakPolarHBondContact O-CB 3.47Å; E164-T168 PolarHBondContact O-N 3.32Å; E164-T168 PolarHBondContact O-OG1 2.88Å |
| 165 | T | 82.9 | Confident | 82 | Confident | 68 Ų | 68 | 105.5 Ų | 105.5 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 174.9 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | H161 L162 T168 I169 | H161-T165 WeakPolarHBondContact O-CG2 3.42Å; H161-T165 PolarHBondContact O-N 3.47Å; H161-T165 PolarHBondContact O-OG1 3.46Å; L162-T165 VanDerWaalsContact CA-OG1 3.3Å; L162-T165 WeakPolarHBondContact CA-OG1 3.3Å; L162-T165 PolarHBondContact O-N 3.01Å; L162-T165 PolarHBondContact O-OG1 3.49Å; T165-T168 PolarHBondContact O-N 2.98Å; T165-I169 WeakPolarHBondContact O-CB 3.29Å; T165-I169 WeakPolarHBondContact O-CD1 3.42Å; T165-I169 WeakPolarHBondContact O-CG1 3.23Å; T165-I169 PolarHBondContact O-N 3.43Å |
| 166 | E | 85.6 | Confident | 80.7 | Confident | 133 Ų | 133 | 103.7 Ų | 103.7 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 174.4 | -178.7 | -173.2 | 177.4 | 0 | 0 | 110.3 | L162 K163 T168 I169 N170 | L162-E166 WeakPolarHBondContact O-CB 3.5Å; L162-E166 PolarHBondContact O-N 2.81Å; K163-E166 PolarHBondContact O-N 3.37Å; E166-T168 VanDerWaalsContact C-N 3.33Å; E166-T168 PolarHBondContact O-N 3.31Å; E166-I169 PolarHBondContact O-N 3.42Å; E166-N170 VanDerWaalsContact O-CB 3.23Å; E166-N170 WeakPolarHBondContact O-CB 3.2Å; E166-N170 PolarHBondContact O-N 2.79Å |
| 167 | K | 86.4 | Confident | 79.3 | Confident | 124 Ų | 124 | 102.4 Ų | 102.4 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 176.7 | -172.8 | -177 | 175.2 | -167.7 | 0 | 111.9 | K163 E164 N170 E171 | K163-K167 WeakPolarHBondContact O-CB 3.41Å; K163-K167 PolarHBondContact O-N 2.88Å; E164-K167 PolarHBondContact O-N 2.7Å; K167-N170 PolarHBondContact O-N 3.17Å; K167-E171 VanDerWaalsContact O-CB 3.29Å; K167-E171 WeakPolarHBondContact O-CB 3.38Å; K167-E171 PolarHBondContact O-N 2.82Å |
| 168 | T | 82.3 | Confident | 77.9 | Confident | 87 Ų | 87 | 103 Ų | 103 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.6 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | E164 T165 E166 E171 F172 | E164-T168 WeakPolarHBondContact O-CB 3.47Å; E164-T168 PolarHBondContact O-N 3.32Å; E164-T168 PolarHBondContact O-OG1 2.88Å; T165-T168 PolarHBondContact O-N 2.98Å; E166-T168 VanDerWaalsContact C-N 3.33Å; E166-T168 PolarHBondContact O-N 3.31Å; T168-E171 PolarHBondContact O-N 3.4Å; T168-F172 WeakPolarHBondContact O-CB 3.49Å; T168-F172 PolarHBondContact O-N 2.97Å |
| 169 | I | 76.8 | Confident | 76.5 | Confident | 92 Ų | 92 | 107.3 Ų | 107.3 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 177.7 | -70.6 | 166.1 | 0 | 0 | 0 | 110.6 | T165 E166 E171 F172 F173 | T165-I169 WeakPolarHBondContact O-CB 3.29Å; T165-I169 WeakPolarHBondContact O-CD1 3.42Å; T165-I169 WeakPolarHBondContact O-CG1 3.23Å; T165-I169 PolarHBondContact O-N 3.43Å; E166-I169 PolarHBondContact O-N 3.42Å; I169-E171 VanDerWaalsContact C-N 3.28Å; I169-E171 PolarHBondContact O-N 3.08Å; I169-F172 WeakPolarHBondContact O-CB 3.47Å; I169-F172 PolarHBondContact O-N 2.94Å; I169-F173 HydrophobicContact CG2-CD2 3.59Å; I169-F173 HydrophobicContact CG2-CE2 3.36Å; I169-F173 WeakPolarHBondContact O-CD2 3.43Å; I169-F173 PolarHBondContact O-N 2.89Å |
| 170 | N | 76.2 | Confident | 75.4 | Confident | 108 Ų | 108 | 110.7 Ų | 110.7 | 58% | 0.578 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -37.7 | 177.8 | -176.3 | 68.4 | 0 | 0 | 0 | 111.5 | E166 K167 R174 | E166-N170 VanDerWaalsContact O-CB 3.23Å; E166-N170 WeakPolarHBondContact O-CB 3.2Å; E166-N170 PolarHBondContact O-N 2.79Å; K167-N170 PolarHBondContact O-N 3.17Å; N170-R174 VanDerWaalsContact O-CB 3.3Å; N170-R174 WeakPolarHBondContact O-CB 3.48Å; N170-R174 PolarHBondContact O-N 3.45Å; N170-R174 VanDerWaalsContact O-N 3.08Å |
| 171 | E | 80.5 | Confident | 74.1 | Confident | 91 Ų | 91 | 111.3 Ų | 111.3 | 43% | 0.425 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 173.5 | -172.3 | 138.1 | -147.5 | 0 | 0 | 111.8 | K167 T168 I169 F173 R174 T175 | K167-E171 VanDerWaalsContact O-CB 3.29Å; K167-E171 WeakPolarHBondContact O-CB 3.38Å; K167-E171 PolarHBondContact O-N 2.82Å; T168-E171 PolarHBondContact O-N 3.4Å; I169-E171 VanDerWaalsContact C-N 3.28Å; I169-E171 PolarHBondContact O-N 3.08Å; E171-F173 PolarHBondContact O-N 2.94Å; E171-R174 CarbonylContact O-C 3.59Å; E171-R174 WeakPolarHBondContact O-CB 3.3Å; E171-R174 PolarHBondContact O-N 2.89Å; E171-R174 IonicContact OE1-NH2 2.85Å; E171-T175 HydrophobicContact CG-CG2 4.28Å; E171-T175 PolarHBondContact O-N 3.19Å; E171-T175 PolarHBondContact O-OG1 3.21Å |
| 172 | F | 69 | Low | 73.2 | Confident | 98 Ų | 98 | 109.3 Ų | 109.3 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 174.5 | -173.7 | -97.2 | 0 | 0 | 0 | 112 | T168 I169 R174 T175 E176 | T168-F172 WeakPolarHBondContact O-CB 3.49Å; T168-F172 PolarHBondContact O-N 2.97Å; I169-F172 WeakPolarHBondContact O-CB 3.47Å; I169-F172 PolarHBondContact O-N 2.94Å; F172-R174 VanDerWaalsContact C-N 3.28Å; F172-R174 PolarHBondContact O-N 3.43Å; F172-T175 PolarHBondContact O-N 2.85Å; F172-E176 HydrophobicContact CE2-CB 4.5Å; F172-E176 WeakPolarHBondContact CE2-OE2 3.38Å; F172-E176 WeakPolarHBondContact CZ-OE2 3.31Å; F172-E176 CarbonylContact O-C 3.54Å; F172-E176 WeakPolarHBondContact O-CA 3.16Å; F172-E176 WeakPolarHBondContact O-CB 3.39Å; F172-E176 PolarHBondContact O-N 3.05Å |
| 173 | F | 67.9 | Low | 72.5 | Confident | 108 Ų | 108 | 110.9 Ų | 110.9 | 47% | 0.474 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -29.2 | 175.5 | -76.7 | -65.8 | 0 | 0 | 0 | 113.4 | I169 E171 L181 | I169-F173 HydrophobicContact CG2-CD2 3.59Å; I169-F173 HydrophobicContact CG2-CE2 3.36Å; I169-F173 WeakPolarHBondContact O-CD2 3.43Å; I169-F173 PolarHBondContact O-N 2.89Å; E171-F173 PolarHBondContact O-N 2.94Å; F173-L181 HydrophobicContact CE1-CD1 4.21Å; F173-L181 HydrophobicContact CE1-CD2 4.15Å |
| 174 | R | 69.7 | Low | 71.4 | Confident | 185 Ų | 185 | 106.5 Ų | 106.5 | 70% | 0.698 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -78.3 | -35.7 | 179.1 | -163.7 | -176.9 | 75.2 | 113.9 | 0.3 | 112.7 | N170 E171 F172 | N170-R174 VanDerWaalsContact O-CB 3.3Å; N170-R174 WeakPolarHBondContact O-CB 3.48Å; N170-R174 PolarHBondContact O-N 3.45Å; N170-R174 VanDerWaalsContact O-N 3.08Å; E171-R174 CarbonylContact O-C 3.59Å; E171-R174 WeakPolarHBondContact O-CB 3.3Å; E171-R174 PolarHBondContact O-N 2.89Å; E171-R174 IonicContact OE1-NH2 2.85Å; F172-R174 VanDerWaalsContact C-N 3.28Å; F172-R174 PolarHBondContact O-N 3.43Å |
| 175 | T | 65.4 | Low | 70.2 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -96.3 | -29.5 | -176.6 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | E171 F172 | E171-T175 HydrophobicContact CG-CG2 4.28Å; E171-T175 PolarHBondContact O-N 3.19Å; E171-T175 PolarHBondContact O-OG1 3.21Å; F172-T175 PolarHBondContact O-N 2.85Å |
| 176 | E | 63.4 | Low | 69.3 | Low | 87 Ų | 87 | 108.1 Ų | 108.1 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -122.2 | 80.9 | 178.1 | -67.6 | -175.2 | -177.9 | 0 | 0 | 108.4 | F172 K180 | F172-E176 HydrophobicContact CE2-CB 4.5Å; F172-E176 WeakPolarHBondContact CE2-OE2 3.38Å; F172-E176 WeakPolarHBondContact CZ-OE2 3.31Å; F172-E176 CarbonylContact O-C 3.54Å; F172-E176 WeakPolarHBondContact O-CA 3.16Å; F172-E176 WeakPolarHBondContact O-CB 3.39Å; F172-E176 PolarHBondContact O-N 3.05Å; E176-K180 HydrophobicContact CB-CB 4.42Å; E176-K180 HydrophobicContact CB-CG 4.44Å |
| 177 | G | 62.1 | Low | 68.3 | Low | 37 Ų | 37 | 106.7 Ų | 106.7 | 38% | 0.381 | 53% | 0.528 | S | S | . | . | trans | -57.9 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E179 K180 | G177-E179 PolarHBondContact O-N 3.33Å; G177-K180 PolarHBondContact O-N 2.93Å | ||
| 178 | I | 60.2 | Low | 67 | Low | 136 Ų | 136 | 102.6 Ų | 102.6 | 70% | 0.697 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -38.6 | -27.8 | 178.8 | -63.5 | 165.7 | 0 | 0 | 0 | 113.7 | Q182 | I178-Q182 WeakPolarHBondContact O-CB 3.43Å; I178-Q182 PolarHBondContact O-N 3.43Å |
| 179 | E | 61.9 | Low | 65.9 | Low | 174 Ų | 174 | 105.3 Ų | 105.3 | 81% | 0.813 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -39.2 | 176.7 | -65.2 | -175.3 | 157.8 | 0 | 0 | 115.1 | G177 K183 | G177-E179 PolarHBondContact O-N 3.33Å; E179-K183 WeakPolarHBondContact O-CB 3.47Å; E179-K183 PolarHBondContact O-N 3.45Å |
| 180 | K | 62 | Low | 64.9 | Low | 132 Ų | 132 | 105.2 Ų | 105.2 | 57% | 0.574 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -79.6 | -35.6 | 178.8 | -70.9 | -84.3 | 177.6 | 155.6 | 0 | 111.3 | E176 G177 K183 A184 | E176-K180 HydrophobicContact CB-CB 4.42Å; E176-K180 HydrophobicContact CB-CG 4.44Å; G177-K180 PolarHBondContact O-N 2.93Å; K180-K183 PolarHBondContact O-N 3.32Å; K180-A184 WeakPolarHBondContact O-CB 3.37Å; K180-A184 PolarHBondContact O-N 3.15Å |
| 181 | L | 64.9 | Low | 64 | Low | 87 Ų | 87 | 103.6 Ų | 103.6 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 174.2 | -162.8 | 86.9 | 0 | 0 | 0 | 111.4 | F173 K183 A184 F185 | F173-L181 HydrophobicContact CE1-CD1 4.21Å; F173-L181 HydrophobicContact CE1-CD2 4.15Å; L181-K183 VanDerWaalsContact C-N 3.34Å; L181-K183 PolarHBondContact O-N 3.38Å; L181-A184 PolarHBondContact O-N 2.87Å; L181-F185 WeakPolarHBondContact O-CB 3.41Å; L181-F185 PolarHBondContact O-N 3.02Å |
| 182 | Q | 63.8 | Low | 62.5 | Low | 91 Ų | 91 | 104.2 Ų | 104.2 | 43% | 0.425 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 176.4 | -170.2 | 63.4 | 38.2 | 0 | 0 | 111 | I178 F185 D186 | I178-Q182 WeakPolarHBondContact O-CB 3.43Å; I178-Q182 PolarHBondContact O-N 3.43Å; Q182-F185 PolarHBondContact O-N 3.33Å; Q182-D186 PolarHBondContact NE2-OD1 3.3Å; Q182-D186 WeakPolarHBondContact O-CB 3.38Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 3.04Å |
| 183 | K | 66.2 | Low | 61.6 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -38.5 | 175.4 | -168.3 | 171.6 | -175.1 | 173.8 | 0 | 112.5 | E179 K180 L181 I187 | E179-K183 WeakPolarHBondContact O-CB 3.47Å; E179-K183 PolarHBondContact O-N 3.45Å; K180-K183 PolarHBondContact O-N 3.32Å; L181-K183 VanDerWaalsContact C-N 3.34Å; L181-K183 PolarHBondContact O-N 3.38Å; K183-I187 HydrophobicContact CG-CD1 4.22Å; K183-I187 WeakPolarHBondContact O-CB 3.43Å; K183-I187 WeakPolarHBondContact O-CD1 3.47Å; K183-I187 WeakPolarHBondContact O-CG1 3.29Å; K183-I187 PolarHBondContact O-N 2.88Å |
| 184 | A | 63.7 | Low | 60.6 | Low | 59 Ų | 59 | 107 Ų | 107 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | K180 L181 I187 A188 | K180-A184 WeakPolarHBondContact O-CB 3.37Å; K180-A184 PolarHBondContact O-N 3.15Å; L181-A184 PolarHBondContact O-N 2.87Å; A184-I187 PolarHBondContact O-N 2.81Å; A184-A188 WeakPolarHBondContact O-CB 3.36Å; A184-A188 PolarHBondContact O-N 3.39Å |
| 185 | F | 64.3 | Low | 59.6 | Low | 131 Ų | 131 | 102.5 Ų | 102.5 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | 174.2 | -176.9 | -96.1 | 0 | 0 | 0 | 112.2 | L181 Q182 A188 K189 | L181-F185 WeakPolarHBondContact O-CB 3.41Å; L181-F185 PolarHBondContact O-N 3.02Å; Q182-F185 PolarHBondContact O-N 3.33Å; F185-A188 WeakPolarHBondContact O-CB 3.05Å; F185-A188 PolarHBondContact O-N 3.49Å; F185-K189 PolarHBondContact O-N 3.38Å |
| 186 | D | 63.3 | Low | 59 | Low | 82 Ų | 82 | 100.9 Ų | 100.9 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 175.8 | -72.8 | -22.9 | 0 | 0 | 0 | 111.6 | Q182 K189 S190 | Q182-D186 PolarHBondContact NE2-OD1 3.3Å; Q182-D186 WeakPolarHBondContact O-CB 3.38Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 3.04Å; D186-K189 WeakPolarHBondContact O-CB 3.34Å; D186-K189 PolarHBondContact O-N 2.84Å; D186-S190 PolarHBondContact O-N 3.46Å |
| 187 | I | 64.3 | Low | 58.7 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 52% | 0.523 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 170.8 | -68.5 | 164.3 | 0 | 0 | 0 | 110.5 | K183 A184 K189 S190 | K183-I187 HydrophobicContact CG-CD1 4.22Å; K183-I187 WeakPolarHBondContact O-CB 3.43Å; K183-I187 WeakPolarHBondContact O-CD1 3.47Å; K183-I187 WeakPolarHBondContact O-CG1 3.29Å; K183-I187 PolarHBondContact O-N 2.88Å; A184-I187 PolarHBondContact O-N 2.81Å; I187-K189 VanDerWaalsContact C-N 3.29Å; I187-K189 PolarHBondContact O-N 2.91Å; I187-S190 WeakPolarHBondContact O-CB 3.28Å; I187-S190 PolarHBondContact O-N 3.46Å; I187-S190 VanDerWaalsContact O-N 3.09Å; I187-S190 PolarHBondContact O-OG 3.27Å |
| 188 | A | 60 | Low | 58.4 | Low | 39 Ų | 39 | 107 Ų | 107 | 32% | 0.322 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -33.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A184 F185 S190 I191 | A184-A188 WeakPolarHBondContact O-CB 3.36Å; A184-A188 PolarHBondContact O-N 3.39Å; F185-A188 WeakPolarHBondContact O-CB 3.05Å; F185-A188 PolarHBondContact O-N 3.49Å; A188-S190 PolarHBondContact O-N 3.5Å; A188-I191 HydrophobicContact CB-CD1 4.45Å; A188-I191 WeakPolarHBondContact O-CB 3.34Å; A188-I191 WeakPolarHBondContact O-CG1 3.37Å; A188-I191 PolarHBondContact O-N 2.89Å; A188-I191 VanDerWaalsContact O-N 3.1Å |
| 189 | K | 58 | Low | 58.1 | Low | 144 Ų | 144 | 103 Ų | 103 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.5 | -24.2 | 174 | -167.8 | 175 | -178.2 | 175.2 | 0 | 113.2 | F185 D186 I187 I191 | F185-K189 PolarHBondContact O-N 3.38Å; D186-K189 WeakPolarHBondContact O-CB 3.34Å; D186-K189 PolarHBondContact O-N 2.84Å; I187-K189 VanDerWaalsContact C-N 3.29Å; I187-K189 PolarHBondContact O-N 2.91Å; K189-I191 VanDerWaalsContact C-N 3.31Å |
| 190 | S | 55.6 | Low | 57.9 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 63% | 0.629 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.3 | 174.9 | 75 | 0 | 0 | 0 | 0 | 114 | D186 I187 A188 P192 | D186-S190 PolarHBondContact O-N 3.46Å; I187-S190 WeakPolarHBondContact O-CB 3.28Å; I187-S190 PolarHBondContact O-N 3.46Å; I187-S190 VanDerWaalsContact O-N 3.09Å; I187-S190 PolarHBondContact O-OG 3.27Å; A188-S190 PolarHBondContact O-N 3.5Å; S190-P192 WeakPolarHBondContact O-CD 3.39Å |
| 191 | I | 58.3 | Low | 57.9 | Low | 73 Ų | 73 | 96.2 Ų | 96.2 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -79 | 117.8 | 176.2 | -56 | 173.8 | 0 | 0 | 0 | 108.8 | A188 K189 I193 F194 | A188-I191 HydrophobicContact CB-CD1 4.45Å; A188-I191 WeakPolarHBondContact O-CB 3.34Å; A188-I191 WeakPolarHBondContact O-CG1 3.37Å; A188-I191 PolarHBondContact O-N 2.89Å; A188-I191 VanDerWaalsContact O-N 3.1Å; K189-I191 VanDerWaalsContact C-N 3.31Å; I191-I193 HydrophobicContact CG2-CB 4.18Å; I191-I193 HydrophobicContact CG2-CD1 4.08Å; I191-I193 HydrophobicContact CG2-CG1 3.98Å; I191-I193 PolarHBondContact O-N 2.91Å; I191-F194 PolarHBondContact O-N 3.25Å |
| 192 | P | 48.2 | Very low | 57.6 | Low | 104 Ų | 104 | 99.1 Ų | 99.1 | 68% | 0.675 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 11.1 | -173.2 | 25.4 | -33.2 | 0 | 0 | 0 | 115.7 | S190 | S190-P192 WeakPolarHBondContact O-CD 3.39Š|
| 193 | I | 51.5 | Low | 57.4 | Low | 121 Ų | 121 | 97.2 Ų | 97.2 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -31.9 | 175.1 | -57.4 | 176.5 | 0 | 0 | 0 | 110.9 | I191 T199 | I191-I193 HydrophobicContact CG2-CB 4.18Å; I191-I193 HydrophobicContact CG2-CD1 4.08Å; I191-I193 HydrophobicContact CG2-CG1 3.98Å; I191-I193 PolarHBondContact O-N 2.91Å; I193-T199 PolarHBondContact O-OG1 3.11Å; I193-T199 VanDerWaalsContact O-OG1 3.05Å |
| 194 | F | 46.6 | Very low | 57.2 | Low | 145 Ų | 145 | 95.9 Ų | 95.9 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -93.6 | -9.8 | -177.6 | -75.5 | -84.1 | 0 | 0 | 0 | 114.7 | I191 | I191-F194 PolarHBondContact O-N 3.25Š|
| 195 | T | 48.3 | Very low | 57.2 | Low | 90 Ų | 90 | 96.8 Ų | 96.8 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -104.1 | -1.4 | -178.5 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | A197 | T195-A197 PolarHBondContact O-N 2.93Š|
| 196 | S | 52.2 | Low | 57.2 | Low | 55 Ų | 55 | 93.5 Ų | 93.5 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -63.4 | 129.3 | 173.2 | 173 | 0 | 0 | 0 | 0 | 109.4 | K198 T199 V200 | S196-K198 PolarHBondContact O-N 3.28Å; S196-K198 PolarHBondContact OG-N 3.31Å; S196-T199 PolarHBondContact O-N 3.33Å; S196-V200 PolarHBondContact O-N 2.89Å |
| 197 | A | 58.5 | Low | 57 | Low | 76 Ų | 76 | 96.4 Ų | 96.4 | 63% | 0.628 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -48.9 | -29.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T195 V200 E201 | T195-A197 PolarHBondContact O-N 2.93Å; A197-V200 PolarHBondContact O-N 2.94Å; A197-E201 VanDerWaalsContact O-CG 3.31Å; A197-E201 WeakPolarHBondContact O-CG 3.47Å; A197-E201 PolarHBondContact O-N 3.48Å |
| 198 | K | 54.2 | Low | 56.9 | Low | 176 Ų | 176 | 97.8 Ų | 97.8 | 77% | 0.765 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.9 | -33.2 | 177 | -138.3 | 172.6 | -173.3 | 173.9 | 0 | 113.6 | S196 F202 | S196-K198 PolarHBondContact O-N 3.28Å; S196-K198 PolarHBondContact OG-N 3.31Å; K198-F202 VanDerWaalsContact O-CB 3.28Å; K198-F202 WeakPolarHBondContact O-CB 3.13Å; K198-F202 PolarHBondContact O-N 2.93Å |
| 199 | T | 54.3 | Low | 57 | Low | 52 Ų | 52 | 102.5 Ų | 102.5 | 32% | 0.319 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -78.3 | -33.8 | 176.8 | -40.6 | 0 | 0 | 0 | 0 | 111.1 | I193 S196 A203 | I193-T199 PolarHBondContact O-OG1 3.11Å; I193-T199 VanDerWaalsContact O-OG1 3.05Å; S196-T199 PolarHBondContact O-N 3.33Å; T199-A203 WeakPolarHBondContact O-CB 3.27Å; T199-A203 PolarHBondContact O-N 2.95Å |
| 200 | V | 58.9 | Low | 57.4 | Low | 66 Ų | 66 | 99.7 Ų | 99.7 | 40% | 0.4 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 174 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | S196 A197 A203 K204 | S196-V200 PolarHBondContact O-N 2.89Å; A197-V200 PolarHBondContact O-N 2.94Å; V200-A203 PolarHBondContact O-N 2.6Å; V200-K204 HydrophobicContact CG1-CD 4.49Å; V200-K204 WeakPolarHBondContact O-CG 3.26Å; V200-K204 PolarHBondContact O-N 3.29Å |
| 201 | E | 61.5 | Low | 57.8 | Low | 99 Ų | 99 | 102.1 Ų | 102.1 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 175.1 | -67.6 | -54 | 131.3 | 0 | 0 | 111.8 | A197 A203 K204 V205 | A197-E201 VanDerWaalsContact O-CG 3.31Å; A197-E201 WeakPolarHBondContact O-CG 3.47Å; A197-E201 PolarHBondContact O-N 3.48Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-A203 PolarHBondContact O-N 3.46Å; E201-K204 PolarHBondContact O-N 2.86Å; E201-K204 IonicContact OE1-NZ 3.78Å; E201-K204 PolarHBondContact OE1-NZ 3.49Å; E201-V205 WeakPolarHBondContact O-CB 3.14Å; E201-V205 VanDerWaalsContact O-CG2 3.26Å; E201-V205 WeakPolarHBondContact O-CG2 3.37Å; E201-V205 PolarHBondContact O-N 3.48Å |
| 202 | F | 57.2 | Low | 58.4 | Low | 147 Ų | 147 | 101.6 Ų | 101.6 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -37.8 | 172.6 | -171.1 | -96.3 | 0 | 0 | 0 | 112.3 | K198 V205 T206 | K198-F202 VanDerWaalsContact O-CB 3.28Å; K198-F202 WeakPolarHBondContact O-CB 3.13Å; K198-F202 PolarHBondContact O-N 2.93Å; F202-V205 PolarHBondContact O-N 2.77Å; F202-T206 VanDerWaalsContact O-CB 3.3Å; F202-T206 WeakPolarHBondContact O-CB 3.49Å; F202-T206 PolarHBondContact O-N 2.88Å; F202-T206 PolarHBondContact O-OG1 2.76Å |
| 203 | A | 61.2 | Low | 59.1 | Low | 52 Ų | 52 | 103 Ų | 103 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | T199 V200 E201 T206 Q207 | T199-A203 WeakPolarHBondContact O-CB 3.27Å; T199-A203 PolarHBondContact O-N 2.95Å; V200-A203 PolarHBondContact O-N 2.6Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-A203 PolarHBondContact O-N 3.46Å; A203-T206 PolarHBondContact O-N 2.98Å; A203-Q207 VanDerWaalsContact O-CB 3.27Å; A203-Q207 WeakPolarHBondContact O-CB 3.3Å; A203-Q207 PolarHBondContact O-N 2.73Å |
| 204 | K | 61.6 | Low | 59.7 | Low | 111 Ų | 111 | 99.8 Ų | 99.8 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 172.2 | -73.2 | 174.4 | -174.1 | 170.3 | 0 | 111.7 | V200 E201 T206 Q207 F208 | V200-K204 HydrophobicContact CG1-CD 4.49Å; V200-K204 WeakPolarHBondContact O-CG 3.26Å; V200-K204 PolarHBondContact O-N 3.29Å; E201-K204 PolarHBondContact O-N 2.86Å; E201-K204 IonicContact OE1-NZ 3.78Å; E201-K204 PolarHBondContact OE1-NZ 3.49Å; K204-T206 VanDerWaalsContact C-N 3.33Å; K204-T206 PolarHBondContact O-N 2.94Å; K204-Q207 PolarHBondContact O-N 2.85Å; K204-F208 VanDerWaalsContact O-CB 3.23Å; K204-F208 WeakPolarHBondContact O-CB 3.46Å; K204-F208 PolarHBondContact O-N 2.92Å |
| 205 | V | 63.8 | Low | 60.8 | Low | 78 Ų | 78 | 97.7 Ų | 97.7 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.8 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | E201 F202 K209 | E201-V205 WeakPolarHBondContact O-CB 3.14Å; E201-V205 VanDerWaalsContact O-CG2 3.26Å; E201-V205 WeakPolarHBondContact O-CG2 3.37Å; E201-V205 PolarHBondContact O-N 3.48Å; F202-V205 PolarHBondContact O-N 2.77Å; V205-K209 HydrophobicContact CG1-CG 4.29Å; V205-K209 VanDerWaalsContact O-CB 3.26Å; V205-K209 WeakPolarHBondContact O-CB 3.14Å; V205-K209 WeakPolarHBondContact O-CG 3.38Å; V205-K209 PolarHBondContact O-N 3.35Å |
| 206 | T | 63.3 | Low | 61.4 | Low | 62 Ų | 62 | 97.8 Ų | 97.8 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | F202 A203 K204 K209 T210 | F202-T206 VanDerWaalsContact O-CB 3.3Å; F202-T206 WeakPolarHBondContact O-CB 3.49Å; F202-T206 PolarHBondContact O-N 2.88Å; F202-T206 PolarHBondContact O-OG1 2.76Å; A203-T206 PolarHBondContact O-N 2.98Å; K204-T206 VanDerWaalsContact C-N 3.33Å; K204-T206 PolarHBondContact O-N 2.94Å; T206-K209 PolarHBondContact O-N 3.45Å; T206-T210 VanDerWaalsContact O-CB 3.28Å; T206-T210 WeakPolarHBondContact O-CB 3.43Å; T206-T210 PolarHBondContact O-N 2.85Å; T206-T210 PolarHBondContact O-OG1 3.38Å |
| 207 | Q | 59.4 | Low | 62.1 | Low | 143 Ų | 143 | 99.4 Ų | 99.4 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 176.8 | -171.4 | -178.6 | -0.5 | 0 | 0 | 111.2 | A203 K204 T210 M211 | A203-Q207 VanDerWaalsContact O-CB 3.27Å; A203-Q207 WeakPolarHBondContact O-CB 3.3Å; A203-Q207 PolarHBondContact O-N 2.73Å; K204-Q207 PolarHBondContact O-N 2.85Å; Q207-T210 PolarHBondContact O-N 2.88Å; Q207-M211 WeakPolarHBondContact O-CB 3.19Å; Q207-M211 PolarHBondContact O-N 3.29Å |
| 208 | F | 63.2 | Low | 62.5 | Low | 130 Ų | 130 | 101.1 Ų | 101.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 176.4 | -177.9 | -95.7 | 0 | 0 | 0 | 111.6 | K204 T210 M211 E212 | K204-F208 VanDerWaalsContact O-CB 3.23Å; K204-F208 WeakPolarHBondContact O-CB 3.46Å; K204-F208 PolarHBondContact O-N 2.92Å; F208-T210 VanDerWaalsContact C-N 3.33Å; F208-T210 PolarHBondContact O-N 2.83Å; F208-M211 PolarHBondContact O-N 2.79Å; F208-E212 WeakPolarHBondContact O-CB 3.34Å; F208-E212 PolarHBondContact O-N 3.38Å |
| 209 | K | 60.4 | Low | 63 | Low | 139 Ų | 139 | 98 Ų | 98 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.9 | -33.3 | 177.2 | -71.2 | -71.4 | -177.4 | -176.7 | 0 | 112.9 | V205 T206 F213 | V205-K209 HydrophobicContact CG1-CG 4.29Å; V205-K209 VanDerWaalsContact O-CB 3.26Å; V205-K209 WeakPolarHBondContact O-CB 3.14Å; V205-K209 WeakPolarHBondContact O-CG 3.38Å; V205-K209 PolarHBondContact O-N 3.35Å; T206-K209 PolarHBondContact O-N 3.45Å; K209-F213 VanDerWaalsContact O-CB 3.29Å; K209-F213 WeakPolarHBondContact O-CB 3.47Å; K209-F213 PolarHBondContact O-N 3.34Å |
| 210 | T | 66.9 | Low | 63.2 | Low | 84 Ų | 84 | 101 Ų | 101 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.5 | -37.8 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 111 | T206 Q207 F208 F213 A214 | T206-T210 VanDerWaalsContact O-CB 3.28Å; T206-T210 WeakPolarHBondContact O-CB 3.43Å; T206-T210 PolarHBondContact O-N 2.85Å; T206-T210 PolarHBondContact O-OG1 3.38Å; Q207-T210 PolarHBondContact O-N 2.88Å; F208-T210 VanDerWaalsContact C-N 3.33Å; F208-T210 PolarHBondContact O-N 2.83Å; T210-F213 PolarHBondContact O-N 3.43Å; T210-A214 WeakPolarHBondContact O-CB 3.34Å; T210-A214 PolarHBondContact O-N 3.48Å |
| 211 | M | 65.6 | Low | 63.1 | Low | 142 Ų | 142 | 100.4 Ų | 100.4 | 70% | 0.7 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 173.4 | -175.7 | 174.8 | 160.3 | 0 | 0 | 111.5 | Q207 F208 A214 R215 | Q207-M211 WeakPolarHBondContact O-CB 3.19Å; Q207-M211 PolarHBondContact O-N 3.29Å; F208-M211 PolarHBondContact O-N 2.79Å; M211-A214 PolarHBondContact O-N 2.82Å; M211-R215 PolarHBondContact O-N 2.8Å |
| 212 | E | 69.4 | Low | 63 | Low | 61 Ų | 61 | 104.8 Ų | 104.8 | 29% | 0.285 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 175.8 | -161.4 | 62.3 | -150.1 | 0 | 0 | 111.7 | F208 R215 H216 | F208-E212 WeakPolarHBondContact O-CB 3.34Å; F208-E212 PolarHBondContact O-N 3.38Å; E212-R215 WeakPolarHBondContact O-CB 3.49Å; E212-R215 PolarHBondContact O-N 3.29Å; E212-R215 IonicContact OE1-CZ 3.95Å; E212-R215 VanDerWaalsContact OE1-CZ 3.22Å; E212-R215 IonicContact OE1-NE 3.94Å; E212-R215 PolarHBondContact OE1-NE 3.21Å; E212-R215 IonicContact OE1-NH2 3.92Å; E212-R215 PolarHBondContact OE1-NH2 2.7Å; E212-R215 IonicContact OE2-NE 2.94Å; E212-H216 PolarHBondContact O-CD2 2.82Å; E212-H216 PolarHBondContact O-N 3.3Å; E212-H216 IonicContact OE1-NE2 3.29Å |
| 213 | F | 63.5 | Low | 63 | Low | 134 Ų | 134 | 101.9 Ų | 101.9 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 174.2 | -175.6 | -112 | 0 | 0 | 0 | 112 | K209 T210 R215 H216 I217 | K209-F213 VanDerWaalsContact O-CB 3.29Å; K209-F213 WeakPolarHBondContact O-CB 3.47Å; K209-F213 PolarHBondContact O-N 3.34Å; T210-F213 PolarHBondContact O-N 3.43Å; F213-R215 VanDerWaalsContact C-N 3.34Å; F213-H216 PolarHBondContact O-N 2.88Å; F213-I217 HydrophobicContact CD1-CD1 3.66Å; F213-I217 HydrophobicContact CE1-CD1 3.3Å; F213-I217 HydrophobicContact CE1-CG1 4.3Å; F213-I217 HydrophobicContact CE2-CD1 4.42Å; F213-I217 HydrophobicContact CG-CD1 4.38Å; F213-I217 HydrophobicContact CZ-CD1 3.72Å; F213-I217 HydrophobicContact CZ-CG1 4.34Å; F213-I217 WeakPolarHBondContact O-CG1 3.47Å; F213-I217 PolarHBondContact O-N 2.83Å |
| 214 | A | 63.6 | Low | 62.6 | Low | 53 Ų | 53 | 104.1 Ų | 104.1 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T210 M211 I217 E218 | T210-A214 WeakPolarHBondContact O-CB 3.34Å; T210-A214 PolarHBondContact O-N 3.48Å; M211-A214 PolarHBondContact O-N 2.82Å; A214-I217 PolarHBondContact O-N 3.18Å; A214-E218 PolarHBondContact O-N 3Å |
| 215 | R | 70 | Confident | 61.8 | Low | 102 Ų | 102 | 104.5 Ų | 104.5 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 173.9 | -166.6 | -170.1 | 68.9 | 67.5 | 2.8 | 111.6 | M211 E212 F213 I217 E218 E219 | M211-R215 PolarHBondContact O-N 2.8Å; E212-R215 WeakPolarHBondContact O-CB 3.49Å; E212-R215 PolarHBondContact O-N 3.29Å; E212-R215 IonicContact OE1-CZ 3.95Å; E212-R215 VanDerWaalsContact OE1-CZ 3.22Å; E212-R215 IonicContact OE1-NE 3.94Å; E212-R215 PolarHBondContact OE1-NE 3.21Å; E212-R215 IonicContact OE1-NH2 3.92Å; E212-R215 PolarHBondContact OE1-NH2 2.7Å; E212-R215 IonicContact OE2-NE 2.94Å; F213-R215 VanDerWaalsContact C-N 3.34Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-I217 PolarHBondContact O-N 2.9Å; R215-E218 PolarHBondContact O-N 3.42Å; R215-E219 IonicContact CZ-OE2 3.87Å; R215-E219 IonicContact NH1-OE2 2.79Å; R215-E219 PolarHBondContact NH1-OE2 3.09Å; R215-E219 WeakPolarHBondContact O-CB 3.28Å; R215-E219 PolarHBondContact O-N 3.42Å |
| 216 | H | 61.3 | Low | 61 | Low | 91 Ų | 91 | 107.7 Ų | 107.7 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 174.5 | -76.6 | -60 | 0 | 0 | 0 | 112.8 | E212 F213 E219 L220 | E212-H216 PolarHBondContact O-CD2 2.82Å; E212-H216 PolarHBondContact O-N 3.3Å; E212-H216 IonicContact OE1-NE2 3.29Å; F213-H216 PolarHBondContact O-N 2.88Å; H216-E219 PolarHBondContact O-N 3.32Å; H216-L220 WeakPolarHBondContact O-CB 3.38Å; H216-L220 PolarHBondContact O-N 3.38Å |
| 217 | I | 65.5 | Low | 59.9 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.9 | -41 | 173.3 | -71.1 | 168.7 | 0 | 0 | 0 | 110.9 | F213 A214 R215 E219 L220 A221 | F213-I217 HydrophobicContact CD1-CD1 3.66Å; F213-I217 HydrophobicContact CE1-CD1 3.3Å; F213-I217 HydrophobicContact CE1-CG1 4.3Å; F213-I217 HydrophobicContact CE2-CD1 4.42Å; F213-I217 HydrophobicContact CG-CD1 4.38Å; F213-I217 HydrophobicContact CZ-CD1 3.72Å; F213-I217 HydrophobicContact CZ-CG1 4.34Å; F213-I217 WeakPolarHBondContact O-CG1 3.47Å; F213-I217 PolarHBondContact O-N 2.83Å; A214-I217 PolarHBondContact O-N 3.18Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-I217 PolarHBondContact O-N 2.9Å; I217-E219 VanDerWaalsContact C-N 3.32Å; I217-E219 PolarHBondContact O-N 3.48Å; I217-L220 PolarHBondContact O-N 3.45Å; I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.23Å; I217-A221 PolarHBondContact O-N 3.1Å |
| 218 | E | 67.6 | Low | 59.4 | Low | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.523 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.3 | -38.1 | 176.3 | -163.3 | -171.1 | 150.7 | 0 | 0 | 111.6 | A214 R215 A221 R222 | A214-E218 PolarHBondContact O-N 3Å; R215-E218 PolarHBondContact O-N 3.42Å; E218-A221 PolarHBondContact O-N 2.61Å; E218-R222 PolarHBondContact O-N 3.28Å; E218-R222 IonicContact OE1-CZ 2.74Å; E218-R222 IonicContact OE1-NH1 3.89Å; E218-R222 PolarHBondContact OE1-NH1 2.86Å; E218-R222 IonicContact OE1-NH2 2.59Å |
| 219 | E | 65.5 | Low | 58.4 | Low | 109 Ų | 109 | 109.8 Ų | 109.8 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.3 | -37.1 | 176 | -162 | 162.1 | -158.1 | 0 | 0 | 111.8 | R215 H216 I217 R222 S223 | R215-E219 IonicContact CZ-OE2 3.87Å; R215-E219 IonicContact NH1-OE2 2.79Å; R215-E219 PolarHBondContact NH1-OE2 3.09Å; R215-E219 WeakPolarHBondContact O-CB 3.28Å; R215-E219 PolarHBondContact O-N 3.42Å; H216-E219 PolarHBondContact O-N 3.32Å; I217-E219 VanDerWaalsContact C-N 3.32Å; I217-E219 PolarHBondContact O-N 3.48Å; E219-R222 PolarHBondContact O-N 3.05Å; E219-S223 PolarHBondContact O-N 3.37Å; E219-S223 PolarHBondContact O-OG 3.24Å |
| 220 | L | 58.7 | Low | 57.7 | Low | 116 Ų | 116 | 110 Ų | 110 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.6 | -43.6 | 169.7 | -124.2 | 93.9 | 0 | 0 | 0 | 111.5 | H216 I217 R222 S223 I224 | H216-L220 WeakPolarHBondContact O-CB 3.38Å; H216-L220 PolarHBondContact O-N 3.38Å; I217-L220 PolarHBondContact O-N 3.45Å; L220-R222 PolarHBondContact O-N 2.81Å; L220-S223 PolarHBondContact O-N 2.9Å; L220-S223 VanDerWaalsContact O-N 3.15Å; L220-S223 PolarHBondContact O-OG 2.82Å; L220-I224 WeakPolarHBondContact O-CG1 3.34Å; L220-I224 PolarHBondContact O-N 2.95Å |
| 221 | A | 56.4 | Low | 56.8 | Low | 53 Ų | 53 | 114.5 Ų | 114.5 | 44% | 0.438 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.8 | -29.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I217 E218 | I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.23Å; I217-A221 PolarHBondContact O-N 3.1Å; E218-A221 PolarHBondContact O-N 2.61Å |
| 222 | R | 58.5 | Low | 55.7 | Low | 191 Ų | 191 | 114.5 Ų | 114.5 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -76.5 | -22.8 | 176.6 | -139.1 | 178.5 | -137.4 | 99 | -2.1 | 113.8 | E218 E219 L220 | E218-R222 PolarHBondContact O-N 3.28Å; E218-R222 IonicContact OE1-CZ 2.74Å; E218-R222 IonicContact OE1-NH1 3.89Å; E218-R222 PolarHBondContact OE1-NH1 2.86Å; E218-R222 IonicContact OE1-NH2 2.59Å; E219-R222 PolarHBondContact O-N 3.05Å; L220-R222 PolarHBondContact O-N 2.81Å |
| 223 | S | 58.4 | Low | 54.1 | Low | 86 Ų | 86 | 118.1 Ų | 118.1 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -91.7 | -9.8 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | E219 L220 P225 | E219-S223 PolarHBondContact O-N 3.37Å; E219-S223 PolarHBondContact O-OG 3.24Å; L220-S223 PolarHBondContact O-N 2.9Å; L220-S223 VanDerWaalsContact O-N 3.15Å; L220-S223 PolarHBondContact O-OG 2.82Å; S223-P225 WeakPolarHBondContact O-CD 3.26Å |
| 224 | I | 51.3 | Low | 52.9 | Low | 99 Ų | 99 | 121 Ų | 121 | 51% | 0.508 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -83.6 | 115.5 | 168.9 | -61.5 | 164.9 | 0 | 0 | 0 | 107.8 | L220 L226 | L220-I224 WeakPolarHBondContact O-CG1 3.34Å; L220-I224 PolarHBondContact O-N 2.95Å; I224-L226 PolarHBondContact O-N 3.05Å |
| 225 | P | 45.7 | Very low | 51.6 | Low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 66% | 0.657 | S | S | * | * | trans | -69.4 | 97.5 | 175.5 | 28.4 | -31.3 | 0 | 0 | 0 | 108.8 | S223 | S223-P225 WeakPolarHBondContact O-CD 3.26Š| ||
| 226 | L | 46.7 | Very low | 49.5 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | trans | -67.6 | 128.5 | 168 | -71.2 | 170.2 | 0 | 0 | 0 | 108.7 | I224 | I224-L226 PolarHBondContact O-N 3.05Š| ||
| 227 | P | 39.6 | Very low | 48.2 | Very low | 103 Ų | 103 | 128 Ų | 128 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -55.9 | 145.2 | 167.8 | -20.9 | 31.4 | 0 | 0 | 0 | 110.7 | L229 | P227-L229 PolarHBondContact O-N 3.01Š| ||
| 228 | P | 50.4 | Low | 46.8 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -82.1 | 80.2 | -174.4 | 34.1 | -33.3 | 0 | 0 | 0 | 110.7 | ||||
| 229 | L | 41.1 | Very low | 45 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -154.3 | 118.8 | 172.3 | -68.9 | 177.9 | 0 | 0 | 0 | 106.6 | P227 | P227-L229 PolarHBondContact O-N 3.01Š| ||
| 230 | I | 45.1 | Very low | 43.3 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | cis | -154.3 | 126.8 | 21.5 | -82.1 | 144.1 | 0 | 0 | 0 | 107.3 | N232 | I230-N232 PolarHBondContact O-N 3.46Š| ||
| 231 | L | 48.6 | Very low | 41.9 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 93% | 0.927 | 75% | 0.746 | S | S | * | * | trans | -74.7 | 91.9 | 160 | -87.4 | 156.2 | 0 | 0 | 0 | 108.5 | ||||
| 232 | N | 42.6 | Very low | 40.7 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 173.8 | 80.8 | 146.2 | -105.1 | -7.3 | 0 | 0 | 0 | 110.8 | I230 | I230-N232 PolarHBondContact O-N 3.46Š| ||
| 233 | C | 36.1 | Very low | 40.1 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | trans | -101 | 84.6 | 149.2 | -80.8 | 0 | 0 | 0 | 0 | 107 | S235 | C233-S235 PolarHBondContact O-N 3.4Š| ||
| 234 | R | 39.1 | Very low | 38.6 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -68.6 | 121.8 | 161 | -166.8 | 177.6 | -161 | 170.5 | 3.8 | 106.1 | F236 | R234-F236 HydrophobicContact CB-CE2 4.42Å; R234-F236 WeakPolarHBondContact O-CD2 3.31Å; R234-F236 PolarHBondContact O-N 3.35Å | ||
| 235 | S | 35 | Very low | 37.6 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -57.8 | 100.3 | 165.5 | 51.7 | 0 | 0 | 0 | 0 | 108.1 | C233 S237 | C233-S235 PolarHBondContact O-N 3.4Å; S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 2.79Å | ||
| 236 | F | 27.4 | Very low | 36.9 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -75.6 | 88.9 | 164.7 | -76.9 | -81.7 | 0 | 0 | 0 | 107.4 | R234 | R234-F236 HydrophobicContact CB-CE2 4.42Å; R234-F236 WeakPolarHBondContact O-CD2 3.31Å; R234-F236 PolarHBondContact O-N 3.35Å | ||
| 237 | S | 32.9 | Very low | 36.7 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 130.7 | 144 | 48.3 | 0 | 0 | 0 | 0 | 107.5 | S235 | S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 2.79Å | ||
| 238 | E | 35.3 | Very low | 36.1 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -50.9 | 144.1 | 176.4 | -61.5 | 168.1 | 140.7 | 0 | 0 | 112.5 | ||||
| 239 | E | 31.4 | Very low | 35 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | 179.5 | 117.1 | 126.5 | -172.6 | 157.6 | -163.4 | 0 | 0 | 112.7 | |||||
| 240 | N | 28.4 | Very low | 34.5 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 47.8 | 125 | 146.8 | -77.8 | -3.1 | 0 | 0 | 0 | 125.7 | ||||
| 241 | M | 29.2 | Very low | 33.7 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | 86.4 | 98.6 | 121.6 | -159.6 | 69.4 | 89.7 | 0 | 0 | 121.7 | |||||
| 242 | N | 31.7 | Very low | 32.6 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | 78.2 | 162.3 | 136.5 | -114 | 23.5 | 0 | 0 | 0 | 121.6 | ||||
| 243 | P | 45.8 | Very low | 32 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | -119.1 | -177.6 | -122.6 | 27.8 | -3.1 | 0 | 0 | 0 | 113 | |||||
| 244 | E | 28.3 | Very low | 31.7 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | 120.2 | 127.1 | 147 | -163 | 170.3 | 156.2 | 0 | 0 | 118.1 | ||||
| 245 | N | 28.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 86.9 | 140.7 | 154.6 | -71 | -23.7 | 0 | 0 | 0 | 124.2 | ||||
| 246 | D | 31.9 | Very low | 31 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -74.9 | -171.1 | -165.2 | -149.7 | 16.7 | 0 | 0 | 0 | 114.6 | ||||
| 247 | P | 43.6 | Very low | 31.3 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | -121.4 | 163.5 | -114.3 | 39.2 | -19.4 | 0 | 0 | 0 | 114.4 | |||||
| 248 | G | 26.2 | Very low | 31.3 | Very low | 73 Ų | 73 | 147.2 Ų | 147.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 168.6 | 119.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 249 | K | 27.9 | Very low | 31.2 | Very low | 208 Ų | 208 | 146.4 Ų | 146.4 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | 73.6 | 103.5 | 144.2 | -59.3 | -173.4 | 179.6 | -177.5 | 0 | 121 | ||||
| 250 | M | 29.7 | Very low | 31.1 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | 34.4 | 139.8 | 119 | -155 | 147.7 | -174.7 | 0 | 0 | 123.3 | |||||
| 251 | A | 28 | Very low | 31.3 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | 85.6 | 141.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 252 | T | 25.5 | Very low | 31.7 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | cis | -165.5 | 159.5 | 19.5 | -16.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 253 | S | 30.5 | Very low | 32.4 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -22.4 | 144.7 | 165.6 | 56.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 254 | A | 28.7 | Very low | 32 | Very low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | 173.7 | 129.5 | 110.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 255 | S | 32.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -67.4 | 129.7 | 173.1 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 256 | R | 27.9 | Very low | 32.8 | Very low | 228 Ų | 228 | 137.1 Ų | 137.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -143.7 | 108.2 | 160.2 | -172.4 | 172.9 | -93.4 | 173 | -6.9 | 110.4 | ||||
| 257 | N | 33.8 | Very low | 32.9 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -60.3 | 127.1 | 175.1 | -151.8 | 13.1 | 0 | 0 | 0 | 110.9 | ||||
| 258 | R | 32.1 | Very low | 32.9 | Very low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -138.2 | 110.5 | 160.8 | -83.8 | -166.7 | 174.5 | 174.7 | -1.2 | 109.3 | ||||
| 259 | Q | 33.4 | Very low | 33.6 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -66.4 | 143.8 | 166.3 | -71 | 164.4 | -18.1 | 0 | 0 | 109.8 | ||||
| 260 | A | 29.1 | Very low | 34.2 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -113.8 | 124 | 167 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 261 | L | 34.2 | Very low | 34.8 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65 | 138.6 | -178.2 | -80.2 | 67.9 | 0 | 0 | 0 | 112.1 | ||
| 262 | G | 36.3 | Very low | 35.3 | Very low | 63 Ų | 63 | 142.9 Ų | 142.9 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -95 | 164.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 263 | P | 46.4 | Very low | 35.9 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 158.9 | -169.2 | 31.3 | -35.5 | 0 | 0 | 0 | 113.4 | ||
| 264 | P | 38.2 | Very low | 36.2 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 137.3 | -170.5 | 31.2 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 265 | C | 34.1 | Very low | 36.8 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 149.5 | 168.3 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 266 | P | 39.6 | Very low | 37.3 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -69.9 | 133.2 | 165.2 | -5.7 | 22.1 | 0 | 0 | 0 | 111.1 | ||
| 267 | D | 34.3 | Very low | 38.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -0.3 | 115.2 | 171.6 | -62.1 | -36.5 | 0 | 0 | 0 | 120.4 | I269 | D267-I269 VanDerWaalsContact C-N 3.31Å; D267-I269 PolarHBondContact O-N 2.99Å | ||
| 268 | Q | 42 | Very low | 38.5 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 77.2 | 161.3 | -68 | 174.9 | -13.8 | 0 | 0 | 110.8 | ||
| 269 | I | 41.1 | Very low | 39 | Very low | 122 Ų | 122 | 137 Ų | 137 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | -15.2 | 165.9 | -58.9 | -177.2 | 0 | 0 | 0 | 112.5 | D267 | D267-I269 VanDerWaalsContact C-N 3.31Å; D267-I269 PolarHBondContact O-N 2.99Å |
| 270 | E | 40.3 | Very low | 39.2 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -95.5 | -19.9 | 179.2 | -65 | -155.2 | 153.1 | 0 | 0 | 115.2 | ||
| 271 | E | 42.8 | Very low | 39.8 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -77.7 | -27.7 | -177.7 | -143.4 | 171.2 | -170.7 | 0 | 0 | 112.5 | ||
| 272 | E | 38.1 | Very low | 40.1 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -78.8 | -26.2 | -177.5 | -159.9 | 167.4 | -166.3 | 0 | 0 | 113.1 | M274 | E272-M274 PolarHBondContact O-N 3.47Å |
| 273 | K | 39.1 | Very low | 40.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -73.8 | -22.9 | 177 | -80.3 | -175.2 | 177.8 | 176.3 | 0 | 114 | ||
| 274 | M | 37 | Very low | 39.6 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -83.1 | -28.5 | -179.7 | -159.2 | 177.5 | -160.1 | 0 | 0 | 112.3 | E272 | E272-M274 PolarHBondContact O-N 3.47Å |
| 275 | C | 41.2 | Very low | 39.4 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -75.9 | -35.2 | 176.7 | -70.9 | 0 | 0 | 0 | 0 | 112.9 | M278 | C275-M278 PolarHBondContact O-N 3.43Å |
| 276 | E | 43.1 | Very low | 39.2 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -75.4 | -26.8 | -176.2 | -135.6 | -178.6 | -178.3 | 0 | 0 | 113.5 | M278 | E276-M278 VanDerWaalsContact C-N 3.31Å; E276-M278 PolarHBondContact O-N 3.49Å |
| 277 | A | 43.9 | Very low | 38.6 | Very low | 69 Ų | 69 | 146.3 Ų | 146.3 | 57% | 0.57 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -71.6 | -22.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 278 | M | 41.4 | Very low | 38.4 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -90.4 | -15.6 | -176.3 | -70.3 | -90.3 | -86.5 | 0 | 0 | 113.3 | C275 E276 | C275-M278 PolarHBondContact O-N 3.43Å; E276-M278 VanDerWaalsContact C-N 3.31Å; E276-M278 PolarHBondContact O-N 3.49Å |
| 279 | L | 42.9 | Very low | 37.8 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -93.8 | -10.8 | -176.3 | -71 | 172.1 | 0 | 0 | 0 | 114.5 | ||
| 280 | S | 39.3 | Very low | 37.2 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -91.8 | -12.7 | 179.4 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 281 | S | 40.8 | Very low | 36.9 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -91.2 | -8.4 | -178.3 | -160.8 | 0 | 0 | 0 | 0 | 114 | R283 | S281-R283 PolarHBondContact O-N 3.38Š|
| 282 | G | 40.3 | Very low | 36.4 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | -95.8 | 43.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 283 | R | 39.9 | Very low | 36.1 | Very low | 230 Ų | 230 | 140 Ų | 140 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | trans | -155.3 | 77.9 | 168.5 | -148.1 | 177.9 | -162.8 | -178.6 | 4.7 | 113.6 | S281 | S281-R283 PolarHBondContact O-N 3.38Š| ||
| 284 | Q | 31.7 | Very low | 35.5 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | -149.1 | 118.1 | 146.6 | -151.6 | 80.8 | 13.2 | 0 | 0 | 109.2 | ||||
| 285 | R | 34.2 | Very low | 35.2 | Very low | 226 Ų | 226 | 138.3 Ų | 138.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -95.4 | 162.3 | 172.9 | -157 | -175.5 | -151.1 | 145.3 | 4 | 108.3 | ||||
| 286 | N | 30.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | trans | 91.4 | 136.7 | 171.7 | -71.7 | 35.1 | 0 | 0 | 0 | 114.7 | ||||
| 287 | D | 27.6 | Very low | 34.1 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | cis | -161.9 | 154.3 | 4.4 | -97.9 | -33.2 | 0 | 0 | 0 | 108 | ||||
| 288 | G | 28.9 | Very low | 33.4 | Very low | 63 Ų | 63 | 144.7 Ų | 144.7 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 108.8 | 109.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 289 | T | 29.3 | Very low | 32.9 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | 54.1 | 117.5 | 131.7 | -28.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 290 | G | 29.1 | Very low | 32.3 | Very low | 64 Ų | 64 | 145.8 Ų | 145.8 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | cis | 126.8 | 118.2 | 31.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 291 | E | 33.8 | Very low | 31.8 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 95% | 0.949 | 80% | 0.802 | S | S | * | * | trans | -179.5 | 118.8 | 149.9 | -101.4 | 175.3 | 176.3 | 0 | 0 | 110.4 | ||||
| 292 | D | 32.3 | Very low | 31.5 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -72.7 | 156.6 | 175.4 | -68.5 | -52.5 | 0 | 0 | 0 | 112 | ||||
| 293 | L | 31.7 | Very low | 31.1 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -168.6 | 90.7 | 136.6 | -100.6 | 146.2 | 0 | 0 | 0 | 113.2 | ||||
| 294 | N | 26.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | 21.4 | 123.6 | 130.7 | -159.9 | 13.4 | 0 | 0 | 0 | 120.1 | ||||
| 295 | V | 30.1 | Very low | 31 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -104.7 | 113.9 | 163.6 | 177.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 296 | S | 31.6 | Very low | 31.1 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 138.8 | -179.2 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 297 | L | 30.2 | Very low | 31.4 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 126.6 | 178.5 | -158.2 | 84.4 | 0 | 0 | 0 | 110.1 | ||
| 298 | H | 29.1 | Very low | 31.8 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 119.1 | 172.4 | -112 | 40.7 | 0 | 0 | 0 | 112.2 | ||
| 299 | K | 29.9 | Very low | 32.3 | Very low | 200 Ų | 200 | 151.2 Ų | 151.2 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -94.4 | 113.9 | 172.8 | -167.5 | 177.1 | -173.3 | 176.3 | 0 | 107.2 | ||||
| 300 | V | 30.9 | Very low | 32.8 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 123.2 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 109 | ||
| 301 | K | 28.8 | Very low | 33.3 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 75% | 0.752 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 129.9 | 169 | -173.4 | -177 | 178.3 | -163.7 | 0 | 107.5 | ||
| 302 | V | 33.7 | Very low | 33.3 | Very low | 120 Ų | 120 | 152 Ų | 152 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 122.4 | 173.9 | 174.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 303 | D | 32.7 | Very low | 33.4 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 128.7 | 168.6 | -75.6 | -36.6 | 0 | 0 | 0 | 109.2 | ||
| 304 | I | 35.4 | Very low | 33.5 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 77% | 0.774 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 128.4 | 167.2 | -63.7 | 178.5 | 0 | 0 | 0 | 106.5 | ||
| 305 | K | 34 | Very low | 33.8 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 81% | 0.813 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -102 | 120.6 | 179.4 | -149 | 178 | -174.7 | -176.8 | 0 | 107.8 | ||
| 306 | D | 36.1 | Very low | 34.1 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 123.8 | 173.2 | -59.8 | -50.8 | 0 | 0 | 0 | 109.3 | ||
| 307 | D | 36.7 | Very low | 34.2 | Very low | 160 Ų | 160 | 155.9 Ų | 155.9 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | trans | -108.1 | 110.1 | 165.7 | -86.6 | -31.3 | 0 | 0 | 0 | 108.6 | ||||
| 308 | E | 37.7 | Very low | 34.5 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 86% | 0.86 | 85% | 0.845 | S | S | * | * | trans | -98.4 | 123 | 164.8 | -171.4 | 175.1 | 132.8 | 0 | 0 | 108 | ||||
| 309 | S | 38.3 | Very low | 34.9 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 84% | 0.839 | 85% | 0.846 | S | S | * | * | trans | -143.5 | 112.7 | 162.8 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 310 | S | 39.8 | Very low | 35.4 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 84% | 0.844 | S | S | * | * | trans | -76.4 | 130.2 | 166.4 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 311 | A | 40.3 | Very low | 35.8 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 100% | 1.455 | 85% | 0.848 | S | S | * | * | trans | -168.3 | 0 | 141.5 | 0 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 311 of 311 residues in 132.8 ms
(Link to these results)