| 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 | 40.3 | Very low | 44.8 | Very low | 232 Ų | 232 | 171.7 Ų | 171.7 | 100% | 1.143 | 87% | 0.873 | S | S | * | * | 0 | 57.2 | 0 | -61.3 | -155.1 | -80.4 | 0 | 0 | 107.3 | |||||
| 2 | E | 45.1 | Very low | 44.7 | Very low | 184 Ų | 184 | 173.8 Ų | 173.8 | 86% | 0.86 | 88% | 0.876 | S | S | * | * | 49.4 | 109 | 68.1 | -68.7 | 178.2 | 175.2 | 0 | 0 | 111.2 | |||||
| 3 | T | 50.4 | Low | 44.6 | Very low | 127 Ų | 127 | 169.3 Ų | 169.3 | 78% | 0.779 | 86% | 0.856 | S | S | * | * | trans | 149.2 | 82.3 | 139.4 | -50.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | L | 46.8 | Very low | 44.9 | Very low | 183 Ų | 183 | 164.3 Ų | 164.3 | 96% | 0.958 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -158.7 | 29.5 | 155.8 | -79.8 | -166.8 | 0 | 0 | 0 | 111.8 | ||
| 5 | A | 43.9 | Very low | 45.1 | Very low | 96 Ų | 96 | 160.1 Ų | 160.1 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -119.8 | 16.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 6 | S | 45.6 | Very low | 45.3 | Very low | 112 Ų | 112 | 156.3 Ų | 156.3 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -118.7 | 22.7 | -172.2 | -56.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 7 | M | 39.4 | Very low | 45.3 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -105.8 | 3.4 | -178.3 | -148.7 | 170.8 | 55 | 0 | 0 | 114.1 | ||
| 8 | W | 49.5 | Very low | 45.5 | Very low | 242 Ų | 242 | 151.6 Ų | 151.6 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -125.4 | 21.5 | -177.6 | -70.4 | 91.2 | 0 | 0 | 0 | 113.7 | ||
| 9 | E | 42.9 | Very low | 45.6 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -121.1 | 37 | 179.6 | -80.9 | -146.5 | 152.7 | 0 | 0 | 113.7 | ||
| 10 | H | 46.1 | Very low | 46 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -142.3 | 34.2 | 177.2 | -119.7 | 69 | 0 | 0 | 0 | 116.6 | ||
| 11 | E | 43 | Very low | 46.4 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -148.6 | 58.4 | 172.5 | -151.6 | 175.1 | -179.1 | 0 | 0 | 113.4 | ||||
| 12 | H | 44 | Very low | 47.2 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 91% | 0.912 | 74% | 0.743 | S | S | * | * | trans | -145.2 | 73.6 | 159.5 | -78.2 | -55.4 | 0 | 0 | 0 | 109.2 | P14 | H12-P14 WeakPolarHBondContact O-CD 3.34Š| ||
| 13 | D | 42.8 | Very low | 47.8 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | -89.3 | 111.8 | 166.9 | -162.7 | -1.7 | 0 | 0 | 0 | 108.8 | T15 | D13-T15 PolarHBondContact O-N 3.29Å; D13-T15 PolarHBondContact OD1-OG1 3.43Å | ||
| 14 | P | 49.3 | Very low | 48.2 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -2.2 | -174.4 | 29.2 | -33.7 | 0 | 0 | 0 | 113.7 | H12 | H12-P14 WeakPolarHBondContact O-CD 3.34Š|
| 15 | T | 48.2 | Very low | 48.7 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -21.6 | -176.8 | -46 | 0 | 0 | 0 | 0 | 113.5 | D13 L17 | D13-T15 PolarHBondContact O-N 3.29Å; D13-T15 PolarHBondContact OD1-OG1 3.43Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 3.42Å |
| 16 | V | 46.8 | Very low | 49.2 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -11.2 | -177.7 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 17 | L | 45.4 | Very low | 49.6 | Very low | 139 Ų | 139 | 136 Ų | 136 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -84.2 | -18.5 | -176.7 | -128.5 | 125.5 | 0 | 0 | 0 | 113.6 | T15 | T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 3.42Å |
| 18 | C | 49.4 | Very low | 50.3 | Low | 90 Ų | 90 | 130.4 Ų | 130.4 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.3 | -37.8 | -179.4 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | L20 D21 | C18-L20 VanDerWaalsContact C-N 3.32Å; C18-L20 PolarHBondContact O-N 3.01Å; C18-D21 PolarHBondContact O-N 3.41Å |
| 19 | D | 47.1 | Very low | 50.6 | Low | 119 Ų | 119 | 122 Ų | 122 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.2 | -24.9 | -178.3 | -78.2 | -19.1 | 0 | 0 | 0 | 113.2 | S23 | D19-S23 PolarHBondContact O-N 3.03Å |
| 20 | L | 53.3 | Low | 50.9 | Low | 125 Ų | 125 | 119.9 Ų | 119.9 | 65% | 0.654 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.7 | -29.1 | 177.5 | -100.9 | 149.1 | 0 | 0 | 0 | 112.6 | C18 R24 | C18-L20 VanDerWaalsContact C-N 3.32Å; C18-L20 PolarHBondContact O-N 3.01Å; L20-R24 WeakPolarHBondContact O-CB 3.39Å; L20-R24 PolarHBondContact O-N 2.98Å |
| 21 | D | 55.4 | Low | 51.3 | Low | 91 Ų | 91 | 117.9 Ų | 117.9 | 49% | 0.487 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.4 | -39.1 | 177 | -163.5 | 65.8 | 0 | 0 | 0 | 111.4 | C18 R24 N25 | C18-D21 PolarHBondContact O-N 3.41Å; D21-R24 WeakPolarHBondContact O-CB 3.4Å; D21-R24 PolarHBondContact O-N 3.33Å; D21-N25 VanDerWaalsContact O-CG 3.29Å; D21-N25 PolarHBondContact O-N 2.78Å; D21-N25 PolarHBondContact O-ND2 3.43Å; D21-N25 VanDerWaalsContact O-ND2 3.11Å; D21-N25 PolarHBondContact OD2-ND2 3.49Å; D21-N25 VanDerWaalsContact OD2-ND2 3.14Å |
| 22 | E | 56.5 | Low | 51.6 | Low | 136 Ų | 136 | 115.4 Ų | 115.4 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -40.3 | 177.1 | -122.7 | 176.1 | 162.5 | 0 | 0 | 112.3 | R24 N25 M26 | E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 2.98Å; E22-N25 PolarHBondContact O-N 2.97Å; E22-M26 PolarHBondContact O-N 3.31Å |
| 23 | S | 58.7 | Low | 52 | Low | 66 Ų | 66 | 111 Ų | 111 | 46% | 0.462 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.4 | -34.1 | 172.6 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | D19 L27 | D19-S23 PolarHBondContact O-N 3.03Å; S23-L27 VanDerWaalsContact O-CD1 3.23Å; S23-L27 WeakPolarHBondContact O-CD1 3.31Å; S23-L27 PolarHBondContact O-N 2.87Å |
| 24 | R | 57.9 | Low | 52.2 | Low | 183 Ų | 183 | 114.4 Ų | 114.4 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71 | -38.6 | 177.2 | -157.8 | 179.2 | -167.1 | -176.8 | 3.9 | 111.3 | L20 D21 E22 S28 | L20-R24 WeakPolarHBondContact O-CB 3.39Å; L20-R24 PolarHBondContact O-N 2.98Å; D21-R24 WeakPolarHBondContact O-CB 3.4Å; D21-R24 PolarHBondContact O-N 3.33Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 2.98Å; R24-S28 VanDerWaalsContact O-CB 3.32Å; R24-S28 WeakPolarHBondContact O-CB 3.25Å; R24-S28 PolarHBondContact O-N 3.15Å |
| 25 | N | 56.8 | Low | 52.1 | Low | 81 Ų | 81 | 113.8 Ų | 113.8 | 43% | 0.433 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.9 | -33.5 | 177.8 | -69.9 | -33.1 | 0 | 0 | 0 | 112.9 | D21 E22 S28 S29 | D21-N25 VanDerWaalsContact O-CG 3.29Å; D21-N25 PolarHBondContact O-N 2.78Å; D21-N25 PolarHBondContact O-ND2 3.43Å; D21-N25 VanDerWaalsContact O-ND2 3.11Å; D21-N25 PolarHBondContact OD2-ND2 3.49Å; D21-N25 VanDerWaalsContact OD2-ND2 3.14Å; E22-N25 PolarHBondContact O-N 2.97Å; N25-S28 WeakPolarHBondContact O-CB 3.33Å; N25-S28 PolarHBondContact O-N 3.35Å; N25-S29 WeakPolarHBondContact O-CB 3.46Å; N25-S29 PolarHBondContact O-N 2.96Å; N25-S29 PolarHBondContact O-OG 3.31Å |
| 26 | M | 54.7 | Low | 52.5 | Low | 142 Ų | 142 | 112.2 Ų | 112.2 | 70% | 0.7 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.9 | -43.6 | 172.5 | -86.2 | -78.1 | 165.3 | 0 | 0 | 112.8 | E22 S28 S29 L30 | E22-M26 PolarHBondContact O-N 3.31Å; M26-S28 VanDerWaalsContact C-N 3.29Å; M26-S28 PolarHBondContact O-N 2.97Å; M26-S29 PolarHBondContact O-N 3.43Å; M26-L30 PolarHBondContact O-N 3.1Å; M26-L30 VanDerWaalsContact O-N 3.13Å |
| 27 | L | 55.3 | Low | 52.8 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 62% | 0.618 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.5 | -34 | 171.4 | -90.9 | 108.7 | 0 | 0 | 0 | 111.8 | S23 L30 W31 | S23-L27 VanDerWaalsContact O-CD1 3.23Å; S23-L27 WeakPolarHBondContact O-CD1 3.31Å; S23-L27 PolarHBondContact O-N 2.87Å; L27-L30 PolarHBondContact O-N 3.45Å; L27-W31 PolarHBondContact O-N 2.85Å |
| 28 | S | 54.4 | Low | 53 | Low | 51 Ų | 51 | 116.1 Ų | 116.1 | 36% | 0.357 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.9 | -38.1 | 172.1 | -98.1 | 0 | 0 | 0 | 0 | 112.9 | R24 N25 M26 L30 W31 E32 | R24-S28 VanDerWaalsContact O-CB 3.32Å; R24-S28 WeakPolarHBondContact O-CB 3.25Å; R24-S28 PolarHBondContact O-N 3.15Å; N25-S28 WeakPolarHBondContact O-CB 3.33Å; N25-S28 PolarHBondContact O-N 3.35Å; M26-S28 VanDerWaalsContact C-N 3.29Å; M26-S28 PolarHBondContact O-N 2.97Å; S28-L30 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.4Å; S28-W31 PolarHBondContact O-NE1 3.1Å; S28-E32 PolarHBondContact O-N 2.93Å |
| 29 | S | 55.4 | Low | 53.2 | Low | 66 Ų | 66 | 117.7 Ų | 117.7 | 46% | 0.462 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.7 | -28.7 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | N25 M26 S33 | N25-S29 WeakPolarHBondContact O-CB 3.46Å; N25-S29 PolarHBondContact O-N 2.96Å; N25-S29 PolarHBondContact O-OG 3.31Å; M26-S29 PolarHBondContact O-N 3.43Å; S29-S33 WeakPolarHBondContact O-CB 3.45Å; S29-S33 PolarHBondContact O-N 3.44Å; S29-S33 VanDerWaalsContact O-N 3.12Å; S29-S33 PolarHBondContact O-OG 2.84Å |
| 30 | L | 49.2 | Very low | 53.7 | Low | 130 Ų | 130 | 115.9 Ų | 115.9 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.4 | -37 | -179.9 | -160 | 80.8 | 0 | 0 | 0 | 113 | M26 L27 S28 K34 | M26-L30 PolarHBondContact O-N 3.1Å; M26-L30 VanDerWaalsContact O-N 3.13Å; L27-L30 PolarHBondContact O-N 3.45Å; S28-L30 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.4Å; L30-K34 PolarHBondContact O-N 3.21Å |
| 31 | W | 54 | Low | 54 | Low | 149 Ų | 149 | 112.7 Ų | 112.7 | 56% | 0.564 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.9 | -37.3 | 173.8 | 82.7 | -72.8 | 0 | 0 | 0 | 111.5 | L27 S28 K34 C35 | L27-W31 PolarHBondContact O-N 2.85Å; S28-W31 PolarHBondContact O-NE1 3.1Å; W31-K34 PolarHBondContact O-N 3.03Å; W31-C35 PolarHBondContact O-N 3.35Å; W31-C35 PolarHBondContact O-SG 3.22Å |
| 32 | E | 48.9 | Very low | 54.2 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 59% | 0.593 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.8 | -40.6 | 176.8 | -82.9 | -179.8 | 163.5 | 0 | 0 | 112.3 | S28 K34 C35 | S28-E32 PolarHBondContact O-N 2.93Å; E32-K34 PolarHBondContact O-N 2.96Å; E32-C35 PolarHBondContact O-N 3.17Å |
| 33 | S | 52.4 | Low | 54.7 | Low | 103 Ų | 103 | 110.6 Ų | 110.6 | 72% | 0.72 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.9 | -20.5 | 177.1 | -73.7 | 0 | 0 | 0 | 0 | 114.1 | S29 | S29-S33 WeakPolarHBondContact O-CB 3.45Å; S29-S33 PolarHBondContact O-N 3.44Å; S29-S33 VanDerWaalsContact O-N 3.12Å; S29-S33 PolarHBondContact O-OG 2.84Å |
| 34 | K | 46.4 | Very low | 54.8 | Low | 188 Ų | 188 | 113 Ų | 113 | 82% | 0.817 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -92 | -6.4 | 177.3 | -161.3 | 168.9 | -180 | 176.6 | 0 | 113.2 | L30 W31 E32 | L30-K34 PolarHBondContact O-N 3.21Å; W31-K34 PolarHBondContact O-N 3.03Å; E32-K34 PolarHBondContact O-N 2.96Å |
| 35 | C | 48.6 | Very low | 55 | Low | 85 Ų | 85 | 111.5 Ų | 111.5 | 57% | 0.574 | 62% | 0.615 | S | S | * | * | trans | -92.2 | 11.9 | -179.1 | -70.9 | 0 | 0 | 0 | 0 | 114.3 | W31 E32 F37 | W31-C35 PolarHBondContact O-N 3.35Å; W31-C35 PolarHBondContact O-SG 3.22Å; E32-C35 PolarHBondContact O-N 3.17Å; C35-F37 PolarHBondContact O-N 3.35Å | ||
| 36 | A | 55.4 | Low | 55.8 | Low | 69 Ų | 69 | 111.8 Ų | 111.8 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -82.1 | 113.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 37 | F | 54.2 | Low | 57 | Low | 196 Ų | 196 | 111.9 Ų | 111.9 | 86% | 0.86 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 87.8 | 61.4 | 171.5 | -53.8 | -83.1 | 0 | 0 | 0 | 118.5 | C35 | C35-F37 PolarHBondContact O-N 3.35Š|
| 38 | T | 48.3 | Very low | 58.2 | Low | 124 Ų | 124 | 111.9 Ų | 111.9 | 76% | 0.761 | 62% | 0.616 | S | S | * | * | trans | -138.8 | 108.4 | 135.5 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 39 | P | 54.4 | Low | 59.6 | Low | 122 Ų | 122 | 113.5 Ų | 113.5 | 79% | 0.792 | 62% | 0.62 | S | S | * | * | trans | -71.1 | 145.5 | 171.4 | -10.6 | 26.5 | 0 | 0 | 0 | 110.6 | ||||
| 40 | S | 58.1 | Low | 61.2 | Low | 81 Ų | 81 | 113.4 Ų | 113.4 | 57% | 0.566 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 91.8 | -26.7 | 154 | -162.2 | 0 | 0 | 0 | 0 | 120 | M44 | S40-M44 WeakPolarHBondContact O-CG 3.33Š|
| 41 | A | 58.1 | Low | 63.3 | Low | 59 Ų | 59 | 110.9 Ų | 110.9 | 49% | 0.488 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.7 | -51.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L43 M44 W45 | A41-L43 PolarHBondContact O-N 3.04Å; A41-M44 PolarHBondContact O-N 2.89Å; A41-W45 PolarHBondContact O-N 3.41Å |
| 42 | G | 61.6 | Low | 65.1 | Low | 51 Ų | 51 | 109.6 Ų | 109.6 | 53% | 0.526 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.2 | -36.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T46 | G42-T46 PolarHBondContact O-N 3.28Å; G42-T46 PolarHBondContact O-OG1 2.92Å |
| 43 | L | 65.7 | Low | 67.3 | Low | 131 Ų | 131 | 109.4 Ų | 109.4 | 69% | 0.686 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.3 | -31.5 | 176.7 | -74.9 | 162.1 | 0 | 0 | 0 | 112.6 | A41 T46 Q47 | A41-L43 PolarHBondContact O-N 3.04Å; L43-T46 WeakPolarHBondContact CA-OG1 3.22Å; L43-T46 PolarHBondContact O-OG1 3.43Å; L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 PolarHBondContact O-N 3.14Å; L43-Q47 VanDerWaalsContact O-N 3.13Å |
| 44 | M | 62.1 | Low | 69.3 | Low | 116 Ų | 116 | 111 Ų | 111 | 57% | 0.571 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.4 | -39.4 | 176.5 | -71.7 | -66.6 | -64.7 | 0 | 0 | 111.5 | S40 A41 Q47 Q48 | S40-M44 WeakPolarHBondContact O-CG 3.33Å; A41-M44 PolarHBondContact O-N 2.89Å; M44-Q47 PolarHBondContact O-N 3.11Å; M44-Q48 WeakPolarHBondContact O-CB 3.35Å; M44-Q48 PolarHBondContact O-N 2.87Å |
| 45 | W | 60.5 | Low | 71.7 | Confident | 152 Ų | 152 | 110 Ų | 110 | 58% | 0.576 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.9 | -41.3 | 176.2 | -73 | 104.7 | 0 | 0 | 0 | 112.7 | A41 Q47 Q48 L49 | A41-W45 PolarHBondContact O-N 3.41Å; W45-Q47 VanDerWaalsContact C-N 3.34Å; W45-Q48 PolarHBondContact O-N 3.09Å; W45-L49 VanDerWaalsContact O-CB 3.31Å; W45-L49 WeakPolarHBondContact O-CB 3.45Å; W45-L49 VanDerWaalsContact O-CG 3.24Å; W45-L49 WeakPolarHBondContact O-CG 3.47Å; W45-L49 PolarHBondContact O-N 3.11Å |
| 46 | T | 74.4 | Confident | 74 | Confident | 88 Ų | 88 | 109.9 Ų | 109.9 | 54% | 0.54 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.1 | -37.8 | 176.1 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | G42 L43 S50 | G42-T46 PolarHBondContact O-N 3.28Å; G42-T46 PolarHBondContact O-OG1 2.92Å; L43-T46 WeakPolarHBondContact CA-OG1 3.22Å; L43-T46 PolarHBondContact O-OG1 3.43Å; T46-S50 WeakPolarHBondContact O-CB 3.25Å; T46-S50 PolarHBondContact O-N 3.37Å |
| 47 | Q | 78.9 | Confident | 76 | Confident | 144 Ų | 144 | 113 Ų | 113 | 67% | 0.673 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.3 | -33.7 | 175.7 | -166 | 158.5 | 12.7 | 0 | 0 | 112.8 | L43 M44 W45 P51 | L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 PolarHBondContact O-N 3.14Å; L43-Q47 VanDerWaalsContact O-N 3.13Å; M44-Q47 PolarHBondContact O-N 3.11Å; W45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-P51 VanDerWaalsContact O-CD 3.22Å; Q47-P51 WeakPolarHBondContact O-CD 3.47Å |
| 48 | Q | 81.8 | Confident | 78.1 | Confident | 118 Ų | 118 | 110 Ų | 110 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.5 | -36.8 | 174.9 | -172.8 | -176.3 | -36.5 | 0 | 0 | 112.7 | M44 W45 P51 H52 | M44-Q48 WeakPolarHBondContact O-CB 3.35Å; M44-Q48 PolarHBondContact O-N 2.87Å; W45-Q48 PolarHBondContact O-N 3.09Å; Q48-P51 WeakPolarHBondContact O-CD 3.47Å; Q48-H52 PolarHBondContact O-CD2 3.29Å |
| 49 | L | 82.6 | Confident | 80.5 | Confident | 85 Ų | 85 | 108.7 Ų | 108.7 | 45% | 0.445 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -82.7 | -23.4 | 179.8 | -68.4 | 169.8 | 0 | 0 | 0 | 113 | W45 H52 L53 | W45-L49 VanDerWaalsContact O-CB 3.31Å; W45-L49 WeakPolarHBondContact O-CB 3.45Å; W45-L49 VanDerWaalsContact O-CG 3.24Å; W45-L49 WeakPolarHBondContact O-CG 3.47Å; W45-L49 PolarHBondContact O-N 3.11Å; L49-H52 CarbonylContact O-C 3.45Å; L49-H52 WeakPolarHBondContact O-CA 3.48Å; L49-H52 WeakPolarHBondContact O-CB 3.38Å; L49-H52 PolarHBondContact O-N 2.86Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.9Å |
| 50 | S | 90.4 | Very high | 82.6 | Confident | 63 Ų | 63 | 108.4 Ų | 108.4 | 44% | 0.441 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -52.7 | -47.5 | -179.1 | 170.9 | 0 | 0 | 0 | 0 | 113.6 | T46 H52 L53 Q54 | T46-S50 WeakPolarHBondContact O-CB 3.25Å; T46-S50 PolarHBondContact O-N 3.37Å; S50-H52 VanDerWaalsContact C-N 3.31Å; S50-H52 PolarHBondContact O-N 3.03Å; S50-L53 PolarHBondContact O-N 2.75Å; S50-Q54 WeakPolarHBondContact O-CB 3.47Å; S50-Q54 PolarHBondContact O-N 2.9Å |
| 51 | P | 91.7 | Very high | 84.5 | Confident | 78 Ų | 78 | 109 Ų | 109 | 51% | 0.506 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.3 | -36.7 | 174.2 | -23.3 | 33.1 | 0 | 0 | 0 | 113.4 | Q47 Q48 R55 | Q47-P51 VanDerWaalsContact O-CD 3.22Å; Q47-P51 WeakPolarHBondContact O-CD 3.47Å; Q48-P51 WeakPolarHBondContact O-CD 3.47Å; P51-R55 WeakPolarHBondContact O-CB 3.42Å; P51-R55 PolarHBondContact O-N 3.09Å |
| 52 | H | 93.2 | Very high | 86.4 | Confident | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.8 | -40.2 | 178.5 | -70.2 | -75.3 | 0 | 0 | 0 | 112 | Q48 L49 S50 R55 N56 | Q48-H52 PolarHBondContact O-CD2 3.29Å; L49-H52 CarbonylContact O-C 3.45Å; L49-H52 WeakPolarHBondContact O-CA 3.48Å; L49-H52 WeakPolarHBondContact O-CB 3.38Å; L49-H52 PolarHBondContact O-N 2.86Å; S50-H52 VanDerWaalsContact C-N 3.31Å; S50-H52 PolarHBondContact O-N 3.03Å; H52-R55 PolarHBondContact O-N 3.01Å; H52-N56 WeakPolarHBondContact O-CB 3.32Å; H52-N56 PolarHBondContact O-N 2.95Å |
| 53 | L | 94.8 | Very high | 88.2 | Confident | 122 Ų | 122 | 110.4 Ų | 110.4 | 64% | 0.639 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 174.9 | -69.2 | 173.1 | 0 | 0 | 0 | 111.2 | L49 S50 N56 K57 | L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.9Å; S50-L53 PolarHBondContact O-N 2.75Å; L53-N56 PolarHBondContact O-N 3.18Å; L53-K57 PolarHBondContact O-N 3.38Å |
| 54 | Q | 94.6 | Very high | 89.7 | Confident | 138 Ų | 138 | 109.4 Ų | 109.4 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 175.4 | -176.4 | 177.3 | -26.9 | 0 | 0 | 111.5 | S50 N56 K57 Q58 | S50-Q54 WeakPolarHBondContact O-CB 3.47Å; S50-Q54 PolarHBondContact O-N 2.9Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 2.92Å; Q54-K57 PolarHBondContact O-N 2.93Å; Q54-Q58 PolarHBondContact O-N 3.41Å |
| 55 | R | 96.5 | Very high | 91.5 | Very high | 166 Ų | 166 | 110.3 Ų | 110.3 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 173.4 | -173.3 | -171.9 | -177.2 | 98.8 | 0.2 | 111.3 | P51 H52 Q58 L59 | P51-R55 WeakPolarHBondContact O-CB 3.42Å; P51-R55 PolarHBondContact O-N 3.09Å; H52-R55 PolarHBondContact O-N 3.01Å; R55-Q58 PolarHBondContact O-N 2.75Å; R55-L59 HydrophobicContact CG-CD1 4.27Å; R55-L59 VanDerWaalsContact O-CG 3.32Å; R55-L59 WeakPolarHBondContact O-CG 3.37Å; R55-L59 PolarHBondContact O-N 3.32Å |
| 56 | N | 97.4 | Very high | 93.3 | Very high | 83 Ų | 83 | 109.6 Ų | 109.6 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 179.2 | -165.4 | -85.4 | 0 | 0 | 0 | 111.2 | H52 L53 Q54 Q58 L59 Q60 | H52-N56 WeakPolarHBondContact O-CB 3.32Å; H52-N56 PolarHBondContact O-N 2.95Å; L53-N56 PolarHBondContact O-N 3.18Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 2.92Å; N56-Q58 PolarHBondContact O-N 3.4Å; N56-L59 WeakPolarHBondContact O-CB 3.44Å; N56-L59 PolarHBondContact O-N 2.94Å; N56-L59 VanDerWaalsContact O-N 3.17Å; N56-Q60 WeakPolarHBondContact O-CG 3.49Å; N56-Q60 PolarHBondContact O-N 2.83Å; N56-Q60 PolarHBondContact OD1-NE2 3.4Å |
| 57 | K | 97.1 | Very high | 94.4 | Very high | 133 Ų | 133 | 110.8 Ų | 110.8 | 58% | 0.578 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.3 | -47.4 | 173 | -176.5 | 179.1 | 178 | -179.1 | 0 | 111.8 | L53 Q54 L59 Q60 D61 | L53-K57 PolarHBondContact O-N 3.38Å; Q54-K57 PolarHBondContact O-N 2.93Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 3.37Å; K57-Q60 WeakPolarHBondContact O-CB 3.4Å; K57-Q60 PolarHBondContact O-N 3.29Å; K57-Q60 VanDerWaalsContact O-N 3.1Å; K57-D61 PolarHBondContact O-N 3.48Å |
| 58 | Q | 98.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 110.8 Ų | 110.8 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.2 | -37.7 | 177 | -173.3 | -179.8 | 9 | 0 | 0 | 112.2 | Q54 R55 N56 A62 | Q54-Q58 PolarHBondContact O-N 3.41Å; R55-Q58 PolarHBondContact O-N 2.75Å; N56-Q58 PolarHBondContact O-N 3.4Å; Q58-A62 VanDerWaalsContact O-CB 3.29Å; Q58-A62 WeakPolarHBondContact O-CB 3.31Å; Q58-A62 PolarHBondContact O-N 2.83Å |
| 59 | L | 98.6 | Very high | 96.1 | Very high | 97 Ų | 97 | 109 Ų | 109 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69 | -37 | 175.4 | -71.3 | 172.3 | 0 | 0 | 0 | 112.2 | R55 N56 K57 A62 L63 | R55-L59 HydrophobicContact CG-CD1 4.27Å; R55-L59 VanDerWaalsContact O-CG 3.32Å; R55-L59 WeakPolarHBondContact O-CG 3.37Å; R55-L59 PolarHBondContact O-N 3.32Å; N56-L59 WeakPolarHBondContact O-CB 3.44Å; N56-L59 PolarHBondContact O-N 2.94Å; N56-L59 VanDerWaalsContact O-N 3.17Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 3.37Å; L59-A62 PolarHBondContact O-N 2.93Å; L59-L63 WeakPolarHBondContact O-CB 3.28Å; L59-L63 PolarHBondContact O-N 3.19Å |
| 60 | Q | 98.1 | Very high | 96.8 | Very high | 116 Ų | 116 | 109.6 Ų | 109.6 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 173.8 | -71.4 | 174.5 | 8.6 | 0 | 0 | 111 | N56 K57 A62 L63 L64 | N56-Q60 WeakPolarHBondContact O-CG 3.49Å; N56-Q60 PolarHBondContact O-N 2.83Å; N56-Q60 PolarHBondContact OD1-NE2 3.4Å; K57-Q60 WeakPolarHBondContact O-CB 3.4Å; K57-Q60 PolarHBondContact O-N 3.29Å; K57-Q60 VanDerWaalsContact O-N 3.1Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 2.88Å; Q60-L63 PolarHBondContact O-N 2.83Å; Q60-L64 WeakPolarHBondContact O-CB 3.47Å; Q60-L64 PolarHBondContact O-N 3.08Å |
| 61 | D | 98.2 | Very high | 97.2 | Very high | 93 Ų | 93 | 109.1 Ų | 109.1 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.5 | -64.7 | -23.4 | 0 | 0 | 0 | 110.6 | K57 L64 Q65 | K57-D61 PolarHBondContact O-N 3.48Å; D61-L64 PolarHBondContact O-N 3.31Å; D61-Q65 WeakPolarHBondContact O-CB 3.49Å; D61-Q65 PolarHBondContact O-N 2.88Å |
| 62 | A | 98.4 | Very high | 97.6 | Very high | 42 Ų | 42 | 110.8 Ų | 110.8 | 35% | 0.347 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q58 L59 Q60 Q65 R66 | Q58-A62 VanDerWaalsContact O-CB 3.29Å; Q58-A62 WeakPolarHBondContact O-CB 3.31Å; Q58-A62 PolarHBondContact O-N 2.83Å; L59-A62 PolarHBondContact O-N 2.93Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 2.88Å; A62-Q65 PolarHBondContact O-N 3.45Å; A62-R66 VanDerWaalsContact O-CG 3.24Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 2.81Å |
| 63 | L | 98.6 | Very high | 97.8 | Very high | 98 Ų | 98 | 109.2 Ų | 109.2 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 177.3 | -176.7 | 152.2 | 0 | 0 | 0 | 110.2 | L59 Q60 Q65 R66 E67 | L59-L63 WeakPolarHBondContact O-CB 3.28Å; L59-L63 PolarHBondContact O-N 3.19Å; Q60-L63 PolarHBondContact O-N 2.83Å; L63-Q65 VanDerWaalsContact C-N 3.3Å; L63-Q65 PolarHBondContact O-N 2.95Å; L63-R66 CarbonylContact O-C 3.59Å; L63-R66 WeakPolarHBondContact O-CA 3.32Å; L63-R66 WeakPolarHBondContact O-CB 3.31Å; L63-R66 PolarHBondContact O-N 2.75Å; L63-E67 VanDerWaalsContact CD2-CD 3.47Å; L63-E67 HydrophobicContact CD2-CG 4.02Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.34Å; L63-E67 WeakPolarHBondContact O-CG 3.45Å; L63-E67 PolarHBondContact O-N 2.97Å |
| 64 | L | 98.4 | Very high | 98 | Very high | 111 Ų | 111 | 109.2 Ų | 109.2 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.1 | -43.3 | 176.6 | -176.6 | 66 | 0 | 0 | 0 | 111.5 | Q60 D61 R66 E67 E68 | Q60-L64 WeakPolarHBondContact O-CB 3.47Å; Q60-L64 PolarHBondContact O-N 3.08Å; D61-L64 PolarHBondContact O-N 3.31Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.42Å; L64-E67 WeakPolarHBondContact O-CB 3.45Å; L64-E67 PolarHBondContact O-N 3.34Å; L64-E68 PolarHBondContact O-N 2.97Å |
| 65 | Q | 98.6 | Very high | 98.2 | Very high | 135 Ų | 135 | 109.5 Ų | 109.5 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -36.3 | 175 | -171.4 | -175.6 | -25.2 | 0 | 0 | 112.3 | D61 A62 L63 E69 | D61-Q65 WeakPolarHBondContact O-CB 3.49Å; D61-Q65 PolarHBondContact O-N 2.88Å; A62-Q65 PolarHBondContact O-N 3.45Å; L63-Q65 VanDerWaalsContact C-N 3.3Å; L63-Q65 PolarHBondContact O-N 2.95Å; Q65-E69 PolarHBondContact O-N 3.42Å |
| 66 | R | 98.2 | Very high | 98.2 | Very high | 137 Ų | 137 | 105.7 Ų | 105.7 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.1 | -33.3 | 176.1 | -66.8 | -68.6 | 168.2 | 83.7 | -1.4 | 112.2 | A62 L63 L64 L70 Q262 | A62-R66 VanDerWaalsContact O-CG 3.24Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 2.81Å; L63-R66 CarbonylContact O-C 3.59Å; L63-R66 WeakPolarHBondContact O-CA 3.32Å; L63-R66 WeakPolarHBondContact O-CB 3.31Å; L63-R66 PolarHBondContact O-N 2.75Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.42Å; R66-L70 VanDerWaalsContact O-CB 3.23Å; R66-L70 WeakPolarHBondContact O-CB 3.4Å; R66-L70 PolarHBondContact O-N 3.43Å; R66-Q262 VanDerWaalsContact NH1-NE2 3.16Å; R66-Q262 VanDerWaalsContact NH2-NE2 3.14Å |
| 67 | E | 97.9 | Very high | 98.3 | Very high | 112 Ų | 112 | 105.7 Ų | 105.7 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 173.5 | -71.1 | 179.5 | 161.6 | 0 | 0 | 111.6 | L63 L64 L70 A71 | L63-E67 VanDerWaalsContact CD2-CD 3.47Å; L63-E67 HydrophobicContact CD2-CG 4.02Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.34Å; L63-E67 WeakPolarHBondContact O-CG 3.45Å; L63-E67 PolarHBondContact O-N 2.97Å; L64-E67 WeakPolarHBondContact O-CB 3.45Å; L64-E67 PolarHBondContact O-N 3.34Å; E67-L70 PolarHBondContact O-N 3.49Å; E67-A71 PolarHBondContact O-N 3.5Å |
| 68 | E | 98.2 | Very high | 98.3 | Very high | 145 Ų | 145 | 103.2 Ų | 103.2 | 68% | 0.678 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 175.3 | -175.1 | -178.9 | 177 | 0 | 0 | 111.9 | L64 L70 A71 R72 | L64-E68 PolarHBondContact O-N 2.97Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.23Å; E68-A71 WeakPolarHBondContact O-CB 3.37Å; E68-A71 PolarHBondContact O-N 3.05Å; E68-R72 PolarHBondContact O-N 3.08Å |
| 69 | E | 98 | Very high | 98.3 | Very high | 79 Ų | 79 | 103.3 Ų | 103.3 | 37% | 0.369 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 177.7 | -178.9 | 62.6 | -176.2 | 0 | 0 | 111.7 | Q65 R72 L73 | Q65-E69 PolarHBondContact O-N 3.42Å; E69-R72 PolarHBondContact O-N 3.47Å; E69-R72 IonicContact OE1-CZ 3.93Å; E69-R72 IonicContact OE1-NE 3.57Å; E69-R72 IonicContact OE1-NH2 2.72Å; E69-R72 PolarHBondContact OE1-NH2 2.89Å; E69-R72 IonicContact OE2-CZ 3.03Å; E69-R72 IonicContact OE2-NE 3.52Å; E69-R72 PolarHBondContact OE2-NE 3.4Å; E69-R72 IonicContact OE2-NH2 3.37Å; E69-R72 PolarHBondContact OE2-NH2 3.37Å; E69-L73 HydrophobicContact CG-CD1 4.27Å; E69-L73 WeakPolarHBondContact O-CB 3.15Å; E69-L73 WeakPolarHBondContact O-CG 3.32Å; E69-L73 PolarHBondContact O-N 3.44Å |
| 70 | L | 98.6 | Very high | 98.2 | Very high | 98 Ų | 98 | 103.8 Ų | 103.8 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.3 | -174.4 | 136.1 | 0 | 0 | 0 | 111.4 | R66 E67 E68 L73 Q74 | R66-L70 VanDerWaalsContact O-CB 3.23Å; R66-L70 WeakPolarHBondContact O-CB 3.4Å; R66-L70 PolarHBondContact O-N 3.43Å; E67-L70 PolarHBondContact O-N 3.49Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.23Å; L70-L73 PolarHBondContact O-N 3.29Å; L70-Q74 HydrophobicContact CD2-CG 4.31Å; L70-Q74 VanDerWaalsContact CD2-NE2 3.27Å; L70-Q74 WeakPolarHBondContact O-CB 3.45Å; L70-Q74 VanDerWaalsContact O-CG 3.23Å; L70-Q74 WeakPolarHBondContact O-CG 3.49Å; L70-Q74 PolarHBondContact O-N 2.88Å |
| 71 | A | 98.3 | Very high | 98.2 | Very high | 53 Ų | 53 | 106.5 Ų | 106.5 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | E67 E68 L73 Q74 E75 | E67-A71 PolarHBondContact O-N 3.5Å; E68-A71 WeakPolarHBondContact O-CB 3.37Å; E68-A71 PolarHBondContact O-N 3.05Å; A71-L73 PolarHBondContact O-N 3.46Å; A71-Q74 PolarHBondContact O-N 2.8Å; A71-E75 PolarHBondContact O-N 2.81Å |
| 72 | R | 98.6 | Very high | 98.1 | Very high | 114 Ų | 114 | 103.8 Ų | 103.8 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.7 | -169.1 | -179.1 | 75.8 | 92.6 | -0.9 | 112 | E68 E69 Q74 E75 E76 | E68-R72 PolarHBondContact O-N 3.08Å; E69-R72 PolarHBondContact O-N 3.47Å; E69-R72 IonicContact OE1-CZ 3.93Å; E69-R72 IonicContact OE1-NE 3.57Å; E69-R72 IonicContact OE1-NH2 2.72Å; E69-R72 PolarHBondContact OE1-NH2 2.89Å; E69-R72 IonicContact OE2-CZ 3.03Å; E69-R72 IonicContact OE2-NE 3.52Å; E69-R72 PolarHBondContact OE2-NE 3.4Å; E69-R72 IonicContact OE2-NH2 3.37Å; E69-R72 PolarHBondContact OE2-NH2 3.37Å; R72-Q74 PolarHBondContact O-N 2.8Å; R72-E75 PolarHBondContact O-N 2.79Å; R72-E76 IonicContact CZ-OE1 3.61Å; R72-E76 IonicContact NH1-OE1 2.83Å; R72-E76 PolarHBondContact NH1-OE1 3.42Å; R72-E76 PolarHBondContact O-N 3.49Å |
| 73 | L | 98.7 | Very high | 98 | Very high | 89 Ų | 89 | 107.9 Ų | 107.9 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 177.7 | -72.3 | 173.6 | 0 | 0 | 0 | 112.5 | E69 L70 A71 E76 N77 | E69-L73 HydrophobicContact CG-CD1 4.27Å; E69-L73 WeakPolarHBondContact O-CB 3.15Å; E69-L73 WeakPolarHBondContact O-CG 3.32Å; E69-L73 PolarHBondContact O-N 3.44Å; L70-L73 PolarHBondContact O-N 3.29Å; A71-L73 PolarHBondContact O-N 3.46Å; L73-E76 PolarHBondContact O-N 2.98Å; L73-N77 WeakPolarHBondContact O-CB 3.15Å; L73-N77 PolarHBondContact O-N 2.9Å |
| 74 | Q | 98.3 | Very high | 97.8 | Very high | 122 Ų | 122 | 109.2 Ų | 109.2 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 174.4 | -77.9 | 177.7 | -11.9 | 0 | 0 | 111.8 | L70 A71 R72 N77 S78 | L70-Q74 HydrophobicContact CD2-CG 4.31Å; L70-Q74 VanDerWaalsContact CD2-NE2 3.27Å; L70-Q74 WeakPolarHBondContact O-CB 3.45Å; L70-Q74 VanDerWaalsContact O-CG 3.23Å; L70-Q74 WeakPolarHBondContact O-CG 3.49Å; L70-Q74 PolarHBondContact O-N 2.88Å; A71-Q74 PolarHBondContact O-N 2.8Å; R72-Q74 PolarHBondContact O-N 2.8Å; Q74-N77 PolarHBondContact O-N 3.49Å; Q74-S78 WeakPolarHBondContact O-CB 3.1Å; Q74-S78 PolarHBondContact O-N 2.96Å |
| 75 | E | 98.2 | Very high | 97.5 | Very high | 144 Ų | 144 | 107.2 Ų | 107.2 | 67% | 0.673 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.4 | -49 | 174.1 | -175.4 | -175.7 | -169 | 0 | 0 | 111.1 | A71 R72 N77 S78 K79 | A71-E75 PolarHBondContact O-N 2.81Å; R72-E75 PolarHBondContact O-N 2.79Å; E75-N77 VanDerWaalsContact C-N 3.33Å; E75-N77 PolarHBondContact O-N 2.8Å; E75-S78 WeakPolarHBondContact O-CB 3.4Å; E75-S78 PolarHBondContact O-N 2.91Å; E75-K79 WeakPolarHBondContact O-CB 3.25Å; E75-K79 PolarHBondContact O-N 3.04Å |
| 76 | E | 98.1 | Very high | 97.2 | Very high | 86 Ų | 86 | 104 Ų | 104 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 177.1 | -72.2 | -178 | -170.4 | 0 | 0 | 111.8 | R72 L73 S78 K79 L80 | R72-E76 IonicContact CZ-OE1 3.61Å; R72-E76 IonicContact NH1-OE1 2.83Å; R72-E76 PolarHBondContact NH1-OE1 3.42Å; R72-E76 PolarHBondContact O-N 3.49Å; L73-E76 PolarHBondContact O-N 2.98Å; E76-S78 VanDerWaalsContact C-N 3.35Å; E76-S78 PolarHBondContact O-N 3.11Å; E76-K79 WeakPolarHBondContact O-CB 3.37Å; E76-K79 PolarHBondContact O-N 3.3Å; E76-L80 WeakPolarHBondContact O-CG 3.01Å; E76-L80 PolarHBondContact O-N 3.19Å |
| 77 | N | 98 | Very high | 96.9 | Very high | 82 Ų | 82 | 101.2 Ų | 101.2 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.2 | -160.8 | -74.3 | 0 | 0 | 0 | 111.5 | L73 Q74 E75 K79 L80 R81 | L73-N77 WeakPolarHBondContact O-CB 3.15Å; L73-N77 PolarHBondContact O-N 2.9Å; Q74-N77 PolarHBondContact O-N 3.49Å; E75-N77 VanDerWaalsContact C-N 3.33Å; E75-N77 PolarHBondContact O-N 2.8Å; N77-K79 VanDerWaalsContact C-N 3.33Å; N77-K79 PolarHBondContact O-N 2.97Å; N77-L80 PolarHBondContact O-N 2.76Å; N77-R81 VanDerWaalsContact O-CG 3.31Å; N77-R81 WeakPolarHBondContact O-CG 3.43Å; N77-R81 PolarHBondContact O-N 3.47Å; N77-R81 PolarHBondContact OD1-NE 2.89Å |
| 78 | S | 97.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 102.5 Ų | 102.5 | 57% | 0.566 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | 174.3 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | Q74 E75 E76 L80 R81 G82 | Q74-S78 WeakPolarHBondContact O-CB 3.1Å; Q74-S78 PolarHBondContact O-N 2.96Å; E75-S78 WeakPolarHBondContact O-CB 3.4Å; E75-S78 PolarHBondContact O-N 2.91Å; E76-S78 VanDerWaalsContact C-N 3.35Å; E76-S78 PolarHBondContact O-N 3.11Å; S78-L80 PolarHBondContact O-N 2.94Å; S78-R81 WeakPolarHBondContact O-CB 3.3Å; S78-R81 PolarHBondContact O-N 3.38Å; S78-G82 PolarHBondContact O-N 2.98Å |
| 79 | K | 97.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 99.7 Ų | 99.7 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -44.9 | 176.8 | -169.1 | -178.7 | -171.3 | 175.8 | 0 | 111.9 | E75 E76 N77 G82 F83 | E75-K79 WeakPolarHBondContact O-CB 3.25Å; E75-K79 PolarHBondContact O-N 3.04Å; E76-K79 WeakPolarHBondContact O-CB 3.37Å; E76-K79 PolarHBondContact O-N 3.3Å; N77-K79 VanDerWaalsContact C-N 3.33Å; N77-K79 PolarHBondContact O-N 2.97Å; K79-G82 WeakPolarHBondContact O-CA 3.45Å; K79-G82 PolarHBondContact O-N 2.84Å; K79-F83 HydrophobicContact CD-CE2 4.08Å; K79-F83 HydrophobicContact CG-CD2 3.94Å; K79-F83 HydrophobicContact CG-CE2 3.64Å; K79-F83 WeakPolarHBondContact O-CD2 3.24Å; K79-F83 PolarHBondContact O-N 2.85Å |
| 80 | L | 97.8 | Very high | 96 | Very high | 108 Ų | 108 | 99.3 Ų | 99.3 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 176.1 | -72.1 | 173.3 | 0 | 0 | 0 | 111.7 | E76 N77 S78 G82 F83 L84 | E76-L80 WeakPolarHBondContact O-CG 3.01Å; E76-L80 PolarHBondContact O-N 3.19Å; N77-L80 PolarHBondContact O-N 2.76Å; S78-L80 PolarHBondContact O-N 2.94Å; L80-G82 VanDerWaalsContact C-N 3.32Å; L80-G82 PolarHBondContact O-N 3.32Å; L80-F83 PolarHBondContact O-N 3.24Å; L80-L84 WeakPolarHBondContact O-CG 3.36Å; L80-L84 PolarHBondContact O-N 3.43Å |
| 81 | R | 96.4 | Very high | 95.7 | Very high | 173 Ų | 173 | 97.9 Ų | 97.9 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 173.3 | -71.9 | 172.5 | 179.2 | -87.3 | 0.9 | 111.5 | N77 S78 L84 S85 | N77-R81 VanDerWaalsContact O-CG 3.31Å; N77-R81 WeakPolarHBondContact O-CG 3.43Å; N77-R81 PolarHBondContact O-N 3.47Å; N77-R81 PolarHBondContact OD1-NE 2.89Å; S78-R81 WeakPolarHBondContact O-CB 3.3Å; S78-R81 PolarHBondContact O-N 3.38Å; R81-L84 PolarHBondContact O-N 3.23Å; R81-S85 WeakPolarHBondContact O-CB 3.33Å; R81-S85 PolarHBondContact O-N 2.85Å; R81-S85 PolarHBondContact O-OG 3.45Å |
| 82 | G | 96.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 99.9 Ų | 99.9 | 37% | 0.371 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -55.6 | -51.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | S78 K79 L80 L84 S85 S86 | S78-G82 PolarHBondContact O-N 2.98Å; K79-G82 WeakPolarHBondContact O-CA 3.45Å; K79-G82 PolarHBondContact O-N 2.84Å; L80-G82 VanDerWaalsContact C-N 3.32Å; L80-G82 PolarHBondContact O-N 3.32Å; G82-L84 PolarHBondContact O-N 3.18Å; G82-S85 PolarHBondContact O-N 2.99Å; G82-S85 PolarHBondContact O-OG 2.81Å; G82-S86 WeakPolarHBondContact O-CB 3.09Å; G82-S86 PolarHBondContact O-N 3.19Å |
| 83 | F | 96.3 | Very high | 95 | Very high | 127 Ų | 127 | 99.1 Ų | 99.1 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 177.2 | -82.1 | -63.4 | 0 | 0 | 0 | 113.2 | K79 L80 S85 S86 S87 | K79-F83 HydrophobicContact CD-CE2 4.08Å; K79-F83 HydrophobicContact CG-CD2 3.94Å; K79-F83 HydrophobicContact CG-CE2 3.64Å; K79-F83 WeakPolarHBondContact O-CD2 3.24Å; K79-F83 PolarHBondContact O-N 2.85Å; L80-F83 PolarHBondContact O-N 3.24Å; F83-S85 PolarHBondContact O-N 3.25Å; F83-S86 PolarHBondContact O-N 2.94Å; F83-S87 WeakPolarHBondContact O-CB 3.26Å; F83-S87 PolarHBondContact O-N 2.91Å |
| 84 | L | 94.8 | Very high | 94.7 | Very high | 126 Ų | 126 | 101.1 Ų | 101.1 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 179 | -72 | 173.3 | 0 | 0 | 0 | 111.4 | L80 R81 G82 F88 | L80-L84 WeakPolarHBondContact O-CG 3.36Å; L80-L84 PolarHBondContact O-N 3.43Å; R81-L84 PolarHBondContact O-N 3.23Å; G82-L84 PolarHBondContact O-N 3.18Å; L84-F88 WeakPolarHBondContact O-CB 3.21Å; L84-F88 PolarHBondContact O-N 3.16Å |
| 85 | S | 93.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 101.4 Ų | 101.4 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 177.4 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | R81 G82 F83 V89 | R81-S85 WeakPolarHBondContact O-CB 3.33Å; R81-S85 PolarHBondContact O-N 2.85Å; R81-S85 PolarHBondContact O-OG 3.45Å; G82-S85 PolarHBondContact O-N 2.99Å; G82-S85 PolarHBondContact O-OG 2.81Å; F83-S85 PolarHBondContact O-N 3.25Å; S85-V89 VanDerWaalsContact O-CB 3.32Å; S85-V89 WeakPolarHBondContact O-CB 3.31Å; S85-V89 WeakPolarHBondContact O-CG2 3.47Å; S85-V89 PolarHBondContact O-N 3.45Å |
| 86 | S | 92.4 | Very high | 94.1 | Very high | 69 Ų | 69 | 96.8 Ų | 96.8 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | G82 F83 F88 V89 T90 | G82-S86 WeakPolarHBondContact O-CB 3.09Å; G82-S86 PolarHBondContact O-N 3.19Å; F83-S86 PolarHBondContact O-N 2.94Å; S86-F88 PolarHBondContact O-N 3.02Å; S86-V89 PolarHBondContact O-N 3.49Å; S86-T90 WeakPolarHBondContact O-CB 3.42Å; S86-T90 VanDerWaalsContact O-CG2 3.25Å; S86-T90 WeakPolarHBondContact O-CG2 3.39Å; S86-T90 PolarHBondContact O-N 2.92Å; S86-T90 PolarHBondContact O-OG1 3.41Å |
| 87 | S | 90.4 | Very high | 93.8 | Very high | 77 Ų | 77 | 98.5 Ų | 98.5 | 54% | 0.538 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | F83 T90 N91 | F83-S87 WeakPolarHBondContact O-CB 3.26Å; F83-S87 PolarHBondContact O-N 2.91Å; S87-T90 WeakPolarHBondContact CA-OG1 3.21Å; S87-T90 PolarHBondContact O-OG1 2.8Å; S87-N91 VanDerWaalsContact O-CB 3.31Å; S87-N91 WeakPolarHBondContact O-CB 2.86Å; S87-N91 PolarHBondContact O-N 3.23Å |
| 88 | F | 91.9 | Very high | 93.6 | Very high | 139 Ų | 139 | 101.3 Ų | 101.3 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -48.1 | 177.3 | -179.6 | -101.8 | 0 | 0 | 0 | 111.9 | L84 S86 T90 N91 L92 | L84-F88 WeakPolarHBondContact O-CB 3.21Å; L84-F88 PolarHBondContact O-N 3.16Å; S86-F88 PolarHBondContact O-N 3.02Å; F88-T90 PolarHBondContact O-N 3.24Å; F88-N91 PolarHBondContact O-N 3.3Å; F88-L92 HydrophobicContact CE1-CD1 3.7Å; F88-L92 HydrophobicContact CZ-CD1 3.69Å; F88-L92 WeakPolarHBondContact O-CB 3.14Å; F88-L92 PolarHBondContact O-N 3.2Å |
| 89 | V | 94.4 | Very high | 93.2 | Very high | 87 Ų | 87 | 103.2 Ų | 103.2 | 53% | 0.527 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 180 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | S85 S86 L92 Q93 | S85-V89 VanDerWaalsContact O-CB 3.32Å; S85-V89 WeakPolarHBondContact O-CB 3.31Å; S85-V89 WeakPolarHBondContact O-CG2 3.47Å; S85-V89 PolarHBondContact O-N 3.45Å; S86-V89 PolarHBondContact O-N 3.49Å; V89-L92 PolarHBondContact O-N 2.89Å; V89-Q93 WeakPolarHBondContact O-CB 3.42Å; V89-Q93 PolarHBondContact O-N 3.48Å |
| 90 | T | 90.8 | Very high | 92.4 | Very high | 71 Ų | 71 | 99.8 Ų | 99.8 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.8 | 51.1 | 0 | 0 | 0 | 0 | 112 | S86 S87 F88 L92 Q93 E94 | S86-T90 WeakPolarHBondContact O-CB 3.42Å; S86-T90 VanDerWaalsContact O-CG2 3.25Å; S86-T90 WeakPolarHBondContact O-CG2 3.39Å; S86-T90 PolarHBondContact O-N 2.92Å; S86-T90 PolarHBondContact O-OG1 3.41Å; S87-T90 WeakPolarHBondContact CA-OG1 3.21Å; S87-T90 PolarHBondContact O-OG1 2.8Å; F88-T90 PolarHBondContact O-N 3.24Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 3.4Å; T90-Q93 PolarHBondContact O-N 3.48Å; T90-E94 WeakPolarHBondContact O-CB 3.27Å; T90-E94 PolarHBondContact O-N 2.81Å |
| 91 | N | 92.2 | Very high | 91.6 | Very high | 67 Ų | 67 | 96.1 Ų | 96.1 | 36% | 0.358 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.9 | -170.4 | -95.6 | 0 | 0 | 0 | 112 | S87 F88 E94 K95 | S87-N91 VanDerWaalsContact O-CB 3.31Å; S87-N91 WeakPolarHBondContact O-CB 2.86Å; S87-N91 PolarHBondContact O-N 3.23Å; F88-N91 PolarHBondContact O-N 3.3Å; N91-E94 PolarHBondContact O-N 2.82Å; N91-K95 WeakPolarHBondContact O-CB 3.47Å; N91-K95 WeakPolarHBondContact O-CG 3.4Å; N91-K95 PolarHBondContact O-N 3.17Å; N91-K95 WeakPolarHBondContact OD1-CD 3.47Å; N91-K95 VanDerWaalsContact OD1-CE 3.25Å; N91-K95 WeakPolarHBondContact OD1-CE 3.36Å; N91-K95 PolarHBondContact OD1-NZ 2.86Å |
| 92 | L | 89.4 | Confident | 90.8 | Very high | 95 Ų | 95 | 92 Ų | 92 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 179.7 | -152 | 154.4 | 0 | 0 | 0 | 110.8 | F88 V89 T90 K95 A96 | F88-L92 HydrophobicContact CE1-CD1 3.7Å; F88-L92 HydrophobicContact CZ-CD1 3.69Å; F88-L92 WeakPolarHBondContact O-CB 3.14Å; F88-L92 PolarHBondContact O-N 3.2Å; V89-L92 PolarHBondContact O-N 2.89Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 3.4Å; L92-K95 PolarHBondContact O-N 2.9Å; L92-A96 WeakPolarHBondContact O-CB 3.38Å; L92-A96 PolarHBondContact O-N 2.93Å |
| 93 | Q | 92.3 | Very high | 89.9 | Confident | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.9 | -170.9 | -173.8 | 12 | 0 | 0 | 111.9 | V89 T90 A96 K97 | V89-Q93 WeakPolarHBondContact O-CB 3.42Å; V89-Q93 PolarHBondContact O-N 3.48Å; T90-Q93 PolarHBondContact O-N 3.48Å; Q93-A96 PolarHBondContact O-N 3.26Å; Q93-K97 HydrophobicContact CG-CD 4.38Å; Q93-K97 VanDerWaalsContact NE2-NZ 3.19Å; Q93-K97 WeakPolarHBondContact O-CB 3.39Å; Q93-K97 VanDerWaalsContact O-CG 3.31Å; Q93-K97 WeakPolarHBondContact O-CG 3.44Å; Q93-K97 PolarHBondContact O-N 3.49Å |
| 94 | E | 92.2 | Very high | 88.7 | Confident | 131 Ų | 131 | 100.2 Ų | 100.2 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 177.3 | -170.3 | -172.9 | 170.5 | 0 | 0 | 111.4 | T90 N91 A96 K97 K98 | T90-E94 WeakPolarHBondContact O-CB 3.27Å; T90-E94 PolarHBondContact O-N 2.81Å; N91-E94 PolarHBondContact O-N 2.82Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 2.96Å; E94-K97 WeakPolarHBondContact O-CB 3.41Å; E94-K97 PolarHBondContact O-N 3.36Å; E94-K98 WeakPolarHBondContact O-CB 3.31Å; E94-K98 PolarHBondContact O-N 2.85Å |
| 95 | K | 93.3 | Very high | 87.5 | Confident | 128 Ų | 128 | 97.5 Ų | 97.5 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 175 | -78 | 174.9 | 171.9 | 160.4 | 0 | 111.8 | N91 L92 K98 L99 | N91-K95 WeakPolarHBondContact O-CB 3.47Å; N91-K95 WeakPolarHBondContact O-CG 3.4Å; N91-K95 PolarHBondContact O-N 3.17Å; N91-K95 WeakPolarHBondContact OD1-CD 3.47Å; N91-K95 VanDerWaalsContact OD1-CE 3.25Å; N91-K95 WeakPolarHBondContact OD1-CE 3.36Å; N91-K95 PolarHBondContact OD1-NZ 2.86Å; L92-K95 PolarHBondContact O-N 2.9Å; K95-K98 PolarHBondContact O-N 3.2Å; K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.14Å; K95-L99 PolarHBondContact O-N 2.86Å |
| 96 | A | 90.3 | Very high | 86.2 | Confident | 47 Ų | 47 | 99.3 Ų | 99.3 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L92 Q93 E94 K98 L99 T100 | L92-A96 WeakPolarHBondContact O-CB 3.38Å; L92-A96 PolarHBondContact O-N 2.93Å; Q93-A96 PolarHBondContact O-N 3.26Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 2.96Å; A96-K98 PolarHBondContact O-N 3.26Å; A96-L99 PolarHBondContact O-N 2.77Å; A96-T100 WeakPolarHBondContact O-CG2 3.48Å; A96-T100 PolarHBondContact O-N 3.38Å; A96-T100 PolarHBondContact O-OG1 2.94Å |
| 97 | K | 92.1 | Very high | 85 | Confident | 122 Ų | 122 | 103.1 Ų | 103.1 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 175 | -75.3 | 172.1 | -179 | 171.4 | 0 | 111.4 | Q93 E94 T100 A101 | Q93-K97 HydrophobicContact CG-CD 4.38Å; Q93-K97 VanDerWaalsContact NE2-NZ 3.19Å; Q93-K97 WeakPolarHBondContact O-CB 3.39Å; Q93-K97 VanDerWaalsContact O-CG 3.31Å; Q93-K97 WeakPolarHBondContact O-CG 3.44Å; Q93-K97 PolarHBondContact O-N 3.49Å; E94-K97 WeakPolarHBondContact O-CB 3.41Å; E94-K97 PolarHBondContact O-N 3.36Å; K97-T100 PolarHBondContact O-N 2.81Å; K97-T100 PolarHBondContact O-OG1 3.02Å; K97-A101 WeakPolarHBondContact O-CB 3.28Å; K97-A101 PolarHBondContact O-N 2.93Å |
| 98 | K | 93.8 | Very high | 83.7 | Confident | 141 Ų | 141 | 106.2 Ų | 106.2 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -47.1 | 175.8 | -172.1 | 174.7 | -179.9 | 178 | 0 | 111.8 | E94 K95 A96 T100 A101 D102 | E94-K98 WeakPolarHBondContact O-CB 3.31Å; E94-K98 PolarHBondContact O-N 2.85Å; K95-K98 PolarHBondContact O-N 3.2Å; A96-K98 PolarHBondContact O-N 3.26Å; K98-T100 VanDerWaalsContact C-N 3.35Å; K98-T100 PolarHBondContact O-N 3.04Å; K98-A101 PolarHBondContact O-N 3.41Å; K98-D102 PolarHBondContact O-N 3.45Å |
| 99 | L | 89.1 | Confident | 82 | Confident | 121 Ų | 121 | 104.7 Ų | 104.7 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 177 | -71.1 | 173.9 | 0 | 0 | 0 | 112.7 | K95 A96 R103 | K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.14Å; K95-L99 PolarHBondContact O-N 2.86Å; A96-L99 PolarHBondContact O-N 2.77Å; L99-R103 VanDerWaalsContact O-CB 3.25Å; L99-R103 WeakPolarHBondContact O-CB 3.41Å; L99-R103 PolarHBondContact O-N 2.78Å |
| 100 | T | 80.9 | Confident | 80.2 | Confident | 62 Ų | 62 | 106 Ų | 106 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.1 | -31.9 | 176.5 | 63 | 0 | 0 | 0 | 0 | 113 | A96 K97 K98 R104 | A96-T100 WeakPolarHBondContact O-CG2 3.48Å; A96-T100 PolarHBondContact O-N 3.38Å; A96-T100 PolarHBondContact O-OG1 2.94Å; K97-T100 PolarHBondContact O-N 2.81Å; K97-T100 PolarHBondContact O-OG1 3.02Å; K98-T100 VanDerWaalsContact C-N 3.35Å; K98-T100 PolarHBondContact O-N 3.04Å; T100-R104 WeakPolarHBondContact O-CB 3.43Å; T100-R104 WeakPolarHBondContact O-CG 3.33Å; T100-R104 PolarHBondContact O-N 3.03Å; T100-R104 VanDerWaalsContact O-N 3.11Å; T100-R104 PolarHBondContact O-NE 3.44Å; T100-R104 VanDerWaalsContact O-NE 3.09Å |
| 101 | A | 81.1 | Confident | 78.5 | Confident | 32 Ų | 32 | 106.3 Ų | 106.3 | 26% | 0.264 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -49.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K97 K98 R103 R104 N105 | K97-A101 WeakPolarHBondContact O-CB 3.28Å; K97-A101 PolarHBondContact O-N 2.93Å; K98-A101 PolarHBondContact O-N 3.41Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.07Å; A101-R104 PolarHBondContact O-N 3.2Å; A101-R104 VanDerWaalsContact O-N 3.14Å; A101-N105 PolarHBondContact O-N 2.64Å; A101-N105 PolarHBondContact O-ND2 3.33Å; A101-N105 VanDerWaalsContact O-ND2 3.11Å |
| 102 | D | 78.8 | Confident | 76.6 | Confident | 87 Ų | 87 | 107.5 Ų | 107.5 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.7 | -76.8 | -15.9 | 0 | 0 | 0 | 111.8 | K98 R104 N105 L106 | K98-D102 PolarHBondContact O-N 3.45Å; D102-R104 VanDerWaalsContact C-N 3.35Å; D102-R104 PolarHBondContact O-N 2.95Å; D102-N105 PolarHBondContact O-N 3.41Å; D102-L106 WeakPolarHBondContact O-CB 3.41Å; D102-L106 PolarHBondContact O-N 2.91Å |
| 103 | R | 79.1 | Confident | 74.9 | Confident | 182 Ų | 182 | 109.9 Ų | 109.9 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 174.6 | -167.2 | 176.7 | 82.2 | 173.4 | 4.1 | 112 | L99 A101 K107 | L99-R103 VanDerWaalsContact O-CB 3.25Å; L99-R103 WeakPolarHBondContact O-CB 3.41Å; L99-R103 PolarHBondContact O-N 2.78Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.07Å; R103-K107 WeakPolarHBondContact O-CB 3.34Å; R103-K107 PolarHBondContact O-N 3.36Å |
| 104 | R | 71.2 | Confident | 72.8 | Confident | 152 Ų | 152 | 111.6 Ų | 111.6 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.9 | -39 | 176.8 | -79.9 | 179.9 | -75.6 | 148.3 | -7.5 | 112 | T100 A101 D102 K107 R108 | T100-R104 WeakPolarHBondContact O-CB 3.43Å; T100-R104 WeakPolarHBondContact O-CG 3.33Å; T100-R104 PolarHBondContact O-N 3.03Å; T100-R104 VanDerWaalsContact O-N 3.11Å; T100-R104 PolarHBondContact O-NE 3.44Å; T100-R104 VanDerWaalsContact O-NE 3.09Å; A101-R104 PolarHBondContact O-N 3.2Å; A101-R104 VanDerWaalsContact O-N 3.14Å; D102-R104 VanDerWaalsContact C-N 3.35Å; D102-R104 PolarHBondContact O-N 2.95Å; R104-K107 PolarHBondContact O-N 3.5Å; R104-R108 WeakPolarHBondContact O-CB 3.22Å; R104-R108 PolarHBondContact O-N 3.36Å |
| 105 | N | 68.3 | Low | 70.7 | Confident | 70 Ų | 70 | 113.3 Ų | 113.3 | 37% | 0.374 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.5 | -42.9 | 175.9 | -68.7 | -37.7 | 0 | 0 | 0 | 111.7 | A101 D102 K107 R108 N109 | A101-N105 PolarHBondContact O-N 2.64Å; A101-N105 PolarHBondContact O-ND2 3.33Å; A101-N105 VanDerWaalsContact O-ND2 3.11Å; D102-N105 PolarHBondContact O-N 3.41Å; N105-K107 VanDerWaalsContact C-N 3.34Å; N105-K107 PolarHBondContact O-N 3.41Å; N105-R108 PolarHBondContact O-N 2.89Å; N105-R108 PolarHBondContact OD1-NH1 3.21Å; N105-N109 VanDerWaalsContact O-CG 3.22Å; N105-N109 PolarHBondContact O-N 3.48Å; N105-N109 PolarHBondContact O-ND2 3.44Å; N105-N109 VanDerWaalsContact O-ND2 3.17Å |
| 106 | L | 66 | Low | 68.2 | Low | 107 Ų | 107 | 114.6 Ų | 114.6 | 56% | 0.56 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.2 | -42.3 | 174 | -174.4 | 63.1 | 0 | 0 | 0 | 111.8 | D102 N109 Q110 | D102-L106 WeakPolarHBondContact O-CB 3.41Å; D102-L106 PolarHBondContact O-N 2.91Å; L106-N109 PolarHBondContact O-N 3.48Å; L106-Q110 PolarHBondContact O-N 2.85Å |
| 107 | K | 67.7 | Low | 66.7 | Low | 148 Ų | 148 | 116.8 Ų | 116.8 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.5 | -38.2 | 178.9 | -143.7 | 175.9 | -176.5 | -171.7 | 0 | 112.3 | R103 R104 N105 Q110 S111 | R103-K107 WeakPolarHBondContact O-CB 3.34Å; R103-K107 PolarHBondContact O-N 3.36Å; R104-K107 PolarHBondContact O-N 3.5Å; N105-K107 VanDerWaalsContact C-N 3.34Å; N105-K107 PolarHBondContact O-N 3.41Å; K107-Q110 PolarHBondContact O-N 3.22Å; K107-S111 PolarHBondContact O-N 3.29Å; K107-S111 PolarHBondContact O-OG 3.4Å |
| 108 | R | 62.5 | Low | 64.1 | Low | 143 Ų | 143 | 116 Ų | 116 | 54% | 0.54 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.8 | -41.2 | 175 | -166.3 | -175.1 | -62.9 | 109.7 | -3.8 | 112 | R104 N105 Q110 S111 S112 | R104-R108 WeakPolarHBondContact O-CB 3.22Å; R104-R108 PolarHBondContact O-N 3.36Å; N105-R108 PolarHBondContact O-N 2.89Å; N105-R108 PolarHBondContact OD1-NH1 3.21Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; R108-S111 WeakPolarHBondContact CA-OG 3.42Å; R108-S111 PolarHBondContact O-N 3.49Å; R108-S111 PolarHBondContact O-OG 2.93Å; R108-S112 PolarHBondContact O-N 3.5Å; R108-S112 VanDerWaalsContact O-N 3.1Å |
| 109 | N | 57.8 | Low | 61.9 | Low | 107 Ų | 107 | 118.1 Ų | 118.1 | 57% | 0.572 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.2 | -27.4 | 176.1 | -65.5 | -25.1 | 0 | 0 | 0 | 112.7 | N105 L106 S112 | N105-N109 VanDerWaalsContact O-CG 3.22Å; N105-N109 PolarHBondContact O-N 3.48Å; N105-N109 PolarHBondContact O-ND2 3.44Å; N105-N109 VanDerWaalsContact O-ND2 3.17Å; L106-N109 PolarHBondContact O-N 3.48Å; N109-S112 PolarHBondContact O-OG 2.84Å |
| 110 | Q | 56.1 | Low | 59.5 | Low | 115 Ų | 115 | 119 Ų | 119 | 54% | 0.537 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.5 | -39.6 | 170.1 | -83.8 | -178.1 | 6.6 | 0 | 0 | 112.2 | L106 K107 R108 S112 L113 N114 | L106-Q110 PolarHBondContact O-N 2.85Å; K107-Q110 PolarHBondContact O-N 3.22Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-S112 VanDerWaalsContact C-N 3.35Å; Q110-S112 PolarHBondContact O-N 3.48Å; Q110-L113 PolarHBondContact O-N 2.89Å; Q110-N114 PolarHBondContact O-ND2 3.33Å |
| 111 | S | 55 | Low | 57.9 | Low | 76 Ų | 76 | 127.9 Ų | 127.9 | 53% | 0.531 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.1 | -29.9 | 177.7 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | K107 R108 L113 N114 | K107-S111 PolarHBondContact O-N 3.29Å; K107-S111 PolarHBondContact O-OG 3.4Å; R108-S111 WeakPolarHBondContact CA-OG 3.42Å; R108-S111 PolarHBondContact O-N 3.49Å; R108-S111 PolarHBondContact O-OG 2.93Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.46Å; S111-N114 PolarHBondContact O-N 3.04Å |
| 112 | S | 52.2 | Low | 55.9 | Low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -13.1 | 175.8 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | R108 N109 Q110 | R108-S112 PolarHBondContact O-N 3.5Å; R108-S112 VanDerWaalsContact O-N 3.1Å; N109-S112 PolarHBondContact O-OG 2.84Å; Q110-S112 VanDerWaalsContact C-N 3.35Å; Q110-S112 PolarHBondContact O-N 3.48Å |
| 113 | L | 53.9 | Low | 54.3 | Low | 146 Ų | 146 | 135.1 Ų | 135.1 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -11.7 | 176.1 | -168.7 | 65.3 | 0 | 0 | 0 | 112.6 | Q110 S111 | Q110-L113 PolarHBondContact O-N 2.89Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.46Å |
| 114 | N | 48.2 | Very low | 52.7 | Low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -105.1 | 22.9 | -171.3 | -76.2 | -64.5 | 0 | 0 | 0 | 114.2 | Q110 S111 | Q110-N114 PolarHBondContact O-ND2 3.33Å; S111-N114 PolarHBondContact O-N 3.04Å |
| 115 | H | 47.6 | Very low | 51.1 | Low | 168 Ų | 168 | 133.6 Ų | 133.6 | 78% | 0.778 | 69% | 0.687 | S | S | * | * | trans | -135.7 | 81.7 | 174.5 | -159.9 | -75.4 | 0 | 0 | 0 | 112.5 | ||||
| 116 | E | 41.5 | Very low | 50.3 | Low | 154 Ų | 154 | 135.2 Ų | 135.2 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | trans | -147.8 | 127 | 149.6 | -150 | -73.1 | 149.1 | 0 | 0 | 108.3 | ||||
| 117 | P | 57.1 | Low | 49.2 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | trans | -102.2 | 112.5 | 179.8 | 35.4 | -23 | 0 | 0 | 0 | 110.3 | ||||
| 118 | S | 37.4 | Very low | 48.1 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | -163 | 130.5 | 149.3 | -100.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 119 | E | 48.8 | Very low | 47.2 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -41.6 | 136.2 | 155.1 | -57.9 | -177.1 | 143.3 | 0 | 0 | 111 | ||||
| 120 | V | 38.3 | Very low | 46.6 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | 169.5 | 123.1 | 132.7 | 157.2 | 0 | 0 | 0 | 0 | 107.7 | G122 | V120-G122 PolarHBondContact O-N 2.98Š| ||
| 121 | R | 46.6 | Very low | 46.5 | Very low | 250 Ų | 250 | 146.2 Ų | 146.2 | 94% | 0.943 | 76% | 0.764 | S | S | * | * | trans | -47 | 118.4 | 169.2 | 175.3 | 179.7 | -70.5 | -141.2 | -3.1 | 111.3 | ||||
| 122 | G | 39.1 | Very low | 46.4 | Very low | 67 Ų | 67 | 153.6 Ų | 153.6 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 169.6 | 88.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V120 | V120-G122 PolarHBondContact O-N 2.98Š| ||
| 123 | R | 46.2 | Very low | 46.3 | Very low | 204 Ų | 204 | 155.4 Ų | 155.4 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 44.1 | 119.8 | 147 | -150.9 | -162.2 | -65.5 | -100.5 | 9.5 | 118.8 | F125 | R123-F125 PolarHBondContact O-N 3.03Š| ||
| 124 | P | 45.1 | Very low | 46.4 | Very low | 132 Ų | 132 | 154 Ų | 154 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -88.9 | 107.6 | 160.8 | 24.9 | -12.5 | 0 | 0 | 0 | 110.5 | ||||
| 125 | F | 37.3 | Very low | 47 | Very low | 169 Ų | 169 | 157 Ų | 157 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -63.9 | 125.7 | 158.4 | -91.3 | -93.4 | 0 | 0 | 0 | 110 | R123 K127 | R123-F125 PolarHBondContact O-N 3.03Å; F125-K127 PolarHBondContact O-N 3.2Å | ||
| 126 | S | 51.7 | Low | 47.3 | Very low | 104 Ų | 104 | 155.5 Ų | 155.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 10.8 | 103.1 | 143.2 | 163.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 127 | K | 43.9 | Very low | 48 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -112.2 | 117.3 | 151.3 | -75.5 | -175.7 | 180 | 178.9 | 0 | 108.6 | F125 I129 | F125-K127 PolarHBondContact O-N 3.2Å; K127-I129 PolarHBondContact O-N 2.89Å | ||
| 128 | Q | 44.8 | Very low | 47.9 | Very low | 172 Ų | 172 | 153.7 Ų | 153.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -52.3 | 122.7 | -172.2 | -68.5 | 159.1 | -24.1 | 0 | 0 | 111.8 | T130 | Q128-T130 VanDerWaalsContact C-N 3.35Å; Q128-T130 PolarHBondContact O-N 2.98Å | ||
| 129 | I | 42 | Very low | 48.6 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -70.3 | 97.7 | 162.5 | -64.1 | 159.5 | 0 | 0 | 0 | 105.9 | K127 K131 | K127-I129 PolarHBondContact O-N 2.89Å; I129-K131 PolarHBondContact O-N 2.93Å | ||
| 130 | T | 45 | Very low | 48.5 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -60.4 | 107.9 | 167.9 | 9.5 | 0 | 0 | 0 | 0 | 107.6 | Q128 R132 | Q128-T130 VanDerWaalsContact C-N 3.35Å; Q128-T130 PolarHBondContact O-N 2.98Å; T130-R132 PolarHBondContact O-N 3.34Å | ||
| 131 | K | 55 | Low | 48.7 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -55.9 | 99.6 | 171.5 | -67 | 177.9 | 177.7 | 176.6 | 0 | 107.9 | I129 V133 | I129-K131 PolarHBondContact O-N 2.93Å; K131-V133 VanDerWaalsContact C-N 3.33Å; K131-V133 PolarHBondContact O-N 2.91Å | ||
| 132 | R | 53.7 | Low | 48.5 | Very low | 231 Ų | 231 | 146.1 Ų | 146.1 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -66.5 | 100.5 | 164 | -71.6 | -171.1 | -73.3 | 169.4 | -2.9 | 105.9 | T130 C134 | T130-R132 PolarHBondContact O-N 3.34Å; R132-C134 PolarHBondContact O-N 3.18Å | ||
| 133 | V | 50.3 | Low | 48.6 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -60.1 | 104.8 | 164.8 | 175.7 | 0 | 0 | 0 | 0 | 105.8 | K131 R135 | K131-V133 VanDerWaalsContact C-N 3.33Å; K131-V133 PolarHBondContact O-N 2.91Å; V133-R135 VanDerWaalsContact C-N 3.29Å; V133-R135 PolarHBondContact O-N 3.39Å | ||
| 134 | C | 55.9 | Low | 48.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | -64.7 | 93.8 | 168.2 | -67.6 | 0 | 0 | 0 | 0 | 107.3 | R132 N136 | R132-C134 PolarHBondContact O-N 3.18Å; C134-N136 PolarHBondContact O-N 3.2Å | ||
| 135 | R | 60.7 | Low | 48 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -66.9 | 119.5 | 161.2 | 53.6 | -175.3 | 168.3 | 121.6 | -1.1 | 107.5 | V133 L137 | V133-R135 VanDerWaalsContact C-N 3.29Å; V133-R135 PolarHBondContact O-N 3.39Å; R135-L137 HydrophobicContact CG-CD2 4.29Å; R135-L137 PolarHBondContact O-N 3.32Å; R135-L137 VanDerWaalsContact O-N 3.1Å | ||
| 136 | N | 52.8 | Low | 48.7 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -64.1 | 106.7 | 171.4 | -87.7 | -63.2 | 0 | 0 | 0 | 108.2 | C134 T138 | C134-N136 PolarHBondContact O-N 3.2Å; N136-T138 PolarHBondContact O-N 2.83Å | ||
| 137 | L | 57.4 | Low | 48.5 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 53% | 0.534 | 77% | 0.766 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | 6.8 | 175.7 | -65.6 | 174.9 | 0 | 0 | 0 | 112.8 | R135 | R135-L137 HydrophobicContact CG-CD2 4.29Å; R135-L137 PolarHBondContact O-N 3.32Å; R135-L137 VanDerWaalsContact O-N 3.1Å |
| 138 | T | 53 | Low | 47.9 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -13.5 | -178 | 25.9 | 0 | 0 | 0 | 0 | 113.9 | N136 | N136-T138 PolarHBondContact O-N 2.83Š|
| 139 | A | 53.1 | Low | 47.5 | Very low | 69 Ų | 69 | 141.2 Ų | 141.2 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -88 | -19.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F141 | A139-F141 VanDerWaalsContact C-N 3.26Å; A139-F141 PolarHBondContact O-N 3.37Å |
| 140 | E | 46.5 | Very low | 47.6 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -74.1 | -17.3 | -176.8 | -63.1 | -83.3 | 133 | 0 | 0 | 112.5 | ||
| 141 | F | 43.5 | Very low | 47.3 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -87.4 | -2.1 | -179.3 | -75.5 | -80.4 | 0 | 0 | 0 | 114.7 | A139 | A139-F141 VanDerWaalsContact C-N 3.26Å; A139-F141 PolarHBondContact O-N 3.37Å |
| 142 | C | 42.5 | Very low | 46.9 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -101.8 | -5 | -178.7 | -73.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 143 | S | 40.3 | Very low | 46.6 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -113.1 | -8.2 | -172.9 | -60.3 | 0 | 0 | 0 | 0 | 115.1 | S145 | S143-S145 PolarHBondContact O-N 2.72Š|
| 144 | E | 35.5 | Very low | 46.9 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 15.1 | -175.5 | -151.4 | 167.4 | 174.6 | 0 | 0 | 114.3 | ||
| 145 | S | 43.9 | Very low | 47.6 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -4.2 | 173.8 | -172.7 | 0 | 0 | 0 | 0 | 114 | S143 | S143-S145 PolarHBondContact O-N 2.72Š|
| 146 | S | 51.6 | Low | 48.1 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -132.1 | 72.4 | -173.1 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 147 | A | 48 | Very low | 49.3 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | trans | 167.3 | 75.6 | 142.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 148 | R | 30.3 | Very low | 50.4 | Low | 235 Ų | 235 | 122 Ų | 122 | 89% | 0.887 | 72% | 0.716 | S | S | * | * | trans | -157.2 | 81.9 | 152.2 | -159.9 | 81.6 | -175.3 | -167 | 1.9 | 111.5 | ||||
| 149 | S | 36.7 | Very low | 51.7 | Low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | trans | 36.6 | 117.1 | 140.2 | 64.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 150 | A | 44.7 | Very low | 53.3 | Low | 106 Ų | 106 | 123.4 Ų | 123.4 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | trans | 72.9 | 64.8 | 131 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 151 | S | 37.3 | Very low | 55.1 | Low | 96 Ų | 96 | 118.1 Ų | 118.1 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | trans | -144.6 | 140.7 | 135.4 | 69.4 | 0 | 0 | 0 | 0 | 108.1 | E153 | S151-E153 VanDerWaalsContact C-N 3.25Å; S151-E153 PolarHBondContact O-N 3.44Å | ||
| 152 | P | 46.9 | Very low | 56.8 | Low | 135 Ų | 135 | 118.4 Ų | 118.4 | 88% | 0.877 | 67% | 0.673 | S | S | * | * | trans | -80.6 | 80.6 | 178.9 | 32.3 | -29.7 | 0 | 0 | 0 | 108.1 | ||||
| 153 | E | 48.1 | Very low | 58.7 | Low | 168 Ų | 168 | 119.2 Ų | 119.2 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -71.3 | 119.4 | 163 | -165.2 | 169.7 | -172.2 | 0 | 0 | 106.7 | S151 S155 | S151-E153 VanDerWaalsContact C-N 3.25Å; S151-E153 PolarHBondContact O-N 3.44Å; E153-S155 PolarHBondContact O-N 2.8Å | ||
| 154 | P | 55 | Low | 60.7 | Low | 87 Ų | 87 | 119.9 Ų | 119.9 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | trans | -64.2 | 111.5 | -177.6 | 25.8 | -31.4 | 0 | 0 | 0 | 107.1 | L156 | P154-L156 PolarHBondContact O-N 3.48Š| ||
| 155 | S | 71.8 | Confident | 62.8 | Low | 56 Ų | 56 | 114.4 Ų | 114.4 | 39% | 0.392 | 66% | 0.656 | S | S | . | * | trans | -47.1 | 133.6 | 174.9 | 65.9 | 0 | 0 | 0 | 0 | 108.1 | E153 D157 L158 W159 | E153-S155 PolarHBondContact O-N 2.8Å; S155-D157 PolarHBondContact O-N 2.89Å; S155-L158 WeakPolarHBondContact O-CA 3.32Å; S155-L158 WeakPolarHBondContact O-CB 3.42Å; S155-L158 PolarHBondContact O-N 3.36Å; S155-L158 WeakPolarHBondContact OG-CB 3.23Å; S155-L158 WeakPolarHBondContact OG-CD1 3.49Å; S155-L158 VanDerWaalsContact OG-CG 3.27Å; S155-L158 WeakPolarHBondContact OG-CG 3.35Å; S155-L158 PolarHBondContact OG-N 3.22Å; S155-W159 PolarHBondContact O-N 3.04Å | ||
| 156 | L | 70.6 | Confident | 64.4 | Low | 137 Ų | 137 | 113.6 Ų | 113.6 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -49.4 | -35.1 | -177.6 | -74.5 | 165.8 | 0 | 0 | 0 | 111.5 | P154 W159 V160 | P154-L156 PolarHBondContact O-N 3.48Å; L156-W159 PolarHBondContact O-N 3.45Å; L156-V160 WeakPolarHBondContact O-CB 3.47Å; L156-V160 VanDerWaalsContact O-CG2 3.26Å; L156-V160 WeakPolarHBondContact O-CG2 3.45Å; L156-V160 PolarHBondContact O-N 3.37Å |
| 157 | D | 79.5 | Confident | 65.7 | Low | 121 Ų | 121 | 114.6 Ų | 114.6 | 65% | 0.647 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.3 | -45.9 | 175.7 | -64 | -20.2 | 0 | 0 | 0 | 112.7 | S155 W159 V160 L161 | S155-D157 PolarHBondContact O-N 2.89Å; D157-W159 VanDerWaalsContact C-N 3.33Å; D157-W159 PolarHBondContact O-N 2.99Å; D157-V160 PolarHBondContact O-N 3.01Å; D157-L161 WeakPolarHBondContact O-CB 3.23Å; D157-L161 WeakPolarHBondContact O-CD1 3.46Å; D157-L161 WeakPolarHBondContact O-CG 3.46Å; D157-L161 PolarHBondContact O-N 2.85Å |
| 158 | L | 79.6 | Confident | 66.8 | Low | 80 Ų | 80 | 112.7 Ų | 112.7 | 42% | 0.419 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.5 | -38.4 | 173.5 | -79.8 | 162.8 | 0 | 0 | 0 | 112.4 | S155 R162 | S155-L158 WeakPolarHBondContact O-CA 3.32Å; S155-L158 WeakPolarHBondContact O-CB 3.42Å; S155-L158 PolarHBondContact O-N 3.36Å; S155-L158 WeakPolarHBondContact OG-CB 3.23Å; S155-L158 WeakPolarHBondContact OG-CD1 3.49Å; S155-L158 VanDerWaalsContact OG-CG 3.27Å; S155-L158 WeakPolarHBondContact OG-CG 3.35Å; S155-L158 PolarHBondContact OG-N 3.22Å; L158-R162 VanDerWaalsContact O-CB 3.31Å; L158-R162 WeakPolarHBondContact O-CB 3.38Å; L158-R162 PolarHBondContact O-N 3.48Å |
| 159 | W | 79.7 | Confident | 68.2 | Low | 144 Ų | 144 | 110.4 Ų | 110.4 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.5 | -43.5 | 177.4 | 179.5 | 84.3 | 0 | 0 | 0 | 111.8 | S155 L156 D157 R162 M163 | S155-W159 PolarHBondContact O-N 3.04Å; L156-W159 PolarHBondContact O-N 3.45Å; D157-W159 VanDerWaalsContact C-N 3.33Å; D157-W159 PolarHBondContact O-N 2.99Å; W159-R162 PolarHBondContact O-N 3.05Å; W159-M163 HydrophobicContact CD2-CG 4.1Å; W159-M163 HydrophobicContact CE3-CG 4.42Å; W159-M163 HydrophobicContact CH2-CG 4.19Å; W159-M163 HydrophobicContact CZ2-CG 3.84Å; W159-M163 HydrophobicContact CZ2-SD 4.3Å; W159-M163 HydrophobicContact CZ3-CG 4.46Å; W159-M163 WeakPolarHBondContact O-CB 3.21Å; W159-M163 WeakPolarHBondContact O-CG 3.32Å; W159-M163 PolarHBondContact O-N 3.23Å |
| 160 | V | 88 | Confident | 69.4 | Low | 63 Ų | 63 | 112.3 Ų | 112.3 | 38% | 0.382 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.7 | -45.4 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L156 D157 R162 M163 L164 | L156-V160 WeakPolarHBondContact O-CB 3.47Å; L156-V160 VanDerWaalsContact O-CG2 3.26Å; L156-V160 WeakPolarHBondContact O-CG2 3.45Å; L156-V160 PolarHBondContact O-N 3.37Å; D157-V160 PolarHBondContact O-N 3.01Å; V160-R162 PolarHBondContact O-N 2.83Å; V160-M163 PolarHBondContact O-N 3.4Å; V160-L164 HydrophobicContact CG1-CD1 3.73Å; V160-L164 HydrophobicContact CG1-CG 4.39Å; V160-L164 WeakPolarHBondContact O-CB 3.19Å; V160-L164 VanDerWaalsContact O-CG 3.3Å; V160-L164 WeakPolarHBondContact O-CG 3.48Å; V160-L164 PolarHBondContact O-N 3.28Å |
| 161 | L | 84.4 | Confident | 70 | Confident | 41 Ų | 41 | 109.7 Ų | 109.7 | 22% | 0.215 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -58.8 | -46.4 | 175.7 | -74.2 | 172.3 | 0 | 0 | 0 | 111 | D157 M163 L164 G165 L166 D168 | D157-L161 WeakPolarHBondContact O-CB 3.23Å; D157-L161 WeakPolarHBondContact O-CD1 3.46Å; D157-L161 WeakPolarHBondContact O-CG 3.46Å; D157-L161 PolarHBondContact O-N 2.85Å; L161-M163 PolarHBondContact O-N 2.91Å; L161-L164 CarbonylContact O-C 3.59Å; L161-L164 PolarHBondContact O-N 3.43Å; L161-G165 PolarHBondContact O-N 2.87Å; L161-L166 CarbonylContact C-O 3.58Å; L161-L166 WeakPolarHBondContact CB-O 3.24Å; L161-L166 HydrophobicContact CD2-CB 3.63Å; L161-L166 HydrophobicContact CD2-CD1 4.49Å; L161-L166 PolarHBondContact O-N 3.17Å; L161-D168 HydrophobicContact CD1-CB 3.7Å |
| 162 | R | 79.3 | Confident | 70.5 | Confident | 194 Ų | 194 | 112 Ų | 112 | 73% | 0.732 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.3 | -39.5 | 175.9 | -172.5 | 173.3 | -175.1 | 142.1 | 0.3 | 113.1 | L158 W159 V160 G165 | L158-R162 VanDerWaalsContact O-CB 3.31Å; L158-R162 WeakPolarHBondContact O-CB 3.38Å; L158-R162 PolarHBondContact O-N 3.48Å; W159-R162 PolarHBondContact O-N 3.05Å; V160-R162 PolarHBondContact O-N 2.83Å; R162-G165 PolarHBondContact O-N 3.31Å |
| 163 | M | 81.4 | Confident | 70.3 | Confident | 129 Ų | 129 | 109.9 Ų | 109.9 | 64% | 0.635 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70 | -31.4 | 177 | -75.4 | -63 | -59.7 | 0 | 0 | 113 | W159 V160 L161 | W159-M163 HydrophobicContact CD2-CG 4.1Å; W159-M163 HydrophobicContact CE3-CG 4.42Å; W159-M163 HydrophobicContact CH2-CG 4.19Å; W159-M163 HydrophobicContact CZ2-CG 3.84Å; W159-M163 HydrophobicContact CZ2-SD 4.3Å; W159-M163 HydrophobicContact CZ3-CG 4.46Å; W159-M163 WeakPolarHBondContact O-CB 3.21Å; W159-M163 WeakPolarHBondContact O-CG 3.32Å; W159-M163 PolarHBondContact O-N 3.23Å; V160-M163 PolarHBondContact O-N 3.4Å; L161-M163 PolarHBondContact O-N 2.91Å |
| 164 | L | 82.1 | Confident | 70.1 | Confident | 118 Ų | 118 | 108.5 Ų | 108.5 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -89 | -1.9 | 178.1 | -65.3 | 175.3 | 0 | 0 | 0 | 113.3 | V160 L161 L166 | V160-L164 HydrophobicContact CG1-CD1 3.73Å; V160-L164 HydrophobicContact CG1-CG 4.39Å; V160-L164 WeakPolarHBondContact O-CB 3.19Å; V160-L164 VanDerWaalsContact O-CG 3.3Å; V160-L164 WeakPolarHBondContact O-CG 3.48Å; V160-L164 PolarHBondContact O-N 3.28Å; L161-L164 CarbonylContact O-C 3.59Å; L161-L164 PolarHBondContact O-N 3.43Å; L164-L166 HydrophobicContact CB-CB 4.5Å; L164-L166 HydrophobicContact CB-CD1 4Å; L164-L166 HydrophobicContact CB-CG 3.96Å; L164-L166 HydrophobicContact CD1-CD1 4.28Å; L164-L166 PolarHBondContact O-N 3.1Å |
| 165 | G | 78.9 | Confident | 69.7 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 73% | 0.732 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.1 | 18.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L161 R162 | L161-G165 PolarHBondContact O-N 2.87Å; R162-G165 PolarHBondContact O-N 3.31Å |
| 166 | L | 78 | Confident | 68.6 | Low | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | trans | -95.9 | 144.1 | 177.8 | -60.1 | 176.9 | 0 | 0 | 0 | 108.5 | L161 L164 | L161-L166 CarbonylContact C-O 3.58Å; L161-L166 WeakPolarHBondContact CB-O 3.24Å; L161-L166 HydrophobicContact CD2-CB 3.63Å; L161-L166 HydrophobicContact CD2-CD1 4.49Å; L161-L166 PolarHBondContact O-N 3.17Å; L164-L166 HydrophobicContact CB-CB 4.5Å; L164-L166 HydrophobicContact CB-CD1 4Å; L164-L166 HydrophobicContact CB-CG 3.96Å; L164-L166 HydrophobicContact CD1-CD1 4.28Å; L164-L166 PolarHBondContact O-N 3.1Å | ||
| 167 | K | 78.6 | Confident | 67.6 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | trans | -109.8 | 137 | 179 | -173.3 | 163 | 171.4 | 170.5 | 0 | 109.2 | Q169 T171 D173 | K167-Q169 PolarHBondContact O-N 3.42Å; K167-T171 WeakPolarHBondContact CE-O 3.37Å; K167-D173 WeakPolarHBondContact CE-OD2 3.48Å; K167-D173 IonicContact NZ-OD2 2.64Å; K167-D173 PolarHBondContact NZ-OD2 3.48Å | ||
| 168 | D | 71.4 | Confident | 66 | Low | 57 Ų | 57 | 113.3 Ų | 113.3 | 31% | 0.305 | 61% | 0.608 | S | S | . | * | trans | -67.2 | 132.3 | 172.1 | -179.4 | 47.6 | 0 | 0 | 0 | 109.3 | L161 N170 T171 | L161-D168 HydrophobicContact CD1-CB 3.7Å; D168-N170 PolarHBondContact O-N 2.99Å; D168-N170 VanDerWaalsContact O-N 3.08Å; D168-N170 WeakPolarHBondContact OD2-CB 3.29Å; D168-N170 PolarHBondContact OD2-N 3.37Å; D168-T171 PolarHBondContact O-N 2.91Å; D168-T171 PolarHBondContact OD2-OG1 2.92Å | ||
| 169 | Q | 61.1 | Low | 64.2 | Low | 186 Ų | 186 | 119.1 Ų | 119.1 | 87% | 0.869 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -14.3 | -172 | -163.8 | 156.7 | 6.5 | 0 | 0 | 112.7 | K167 | K167-Q169 PolarHBondContact O-N 3.42Š|
| 170 | N | 61.5 | Low | 62.2 | Low | 137 Ų | 137 | 118 Ų | 118 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -2.1 | 178.6 | -46.8 | -54.1 | 0 | 0 | 0 | 113.3 | D168 I172 | D168-N170 PolarHBondContact O-N 2.99Å; D168-N170 VanDerWaalsContact O-N 3.08Å; D168-N170 WeakPolarHBondContact OD2-CB 3.29Å; D168-N170 PolarHBondContact OD2-N 3.37Å; N170-I172 PolarHBondContact O-N 2.95Å |
| 171 | T | 56.1 | Low | 60.1 | Low | 51 Ų | 51 | 120.4 Ų | 120.4 | 31% | 0.313 | 67% | 0.667 | S | S | . | * | trans | -99.3 | 79.6 | 179.1 | -46.1 | 0 | 0 | 0 | 0 | 109.4 | K167 D168 D173 | K167-T171 WeakPolarHBondContact CE-O 3.37Å; D168-T171 PolarHBondContact O-N 2.91Å; D168-T171 PolarHBondContact OD2-OG1 2.92Å; T171-D173 PolarHBondContact O-N 2.99Å; T171-D173 VanDerWaalsContact O-N 3.16Å | ||
| 172 | I | 47.7 | Very low | 58 | Low | 144 Ų | 144 | 126.6 Ų | 126.6 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | -72.3 | 105.7 | 166.3 | -45.1 | 172.3 | 0 | 0 | 0 | 106.1 | N170 T174 | N170-I172 PolarHBondContact O-N 2.95Å; I172-T174 PolarHBondContact O-N 3.35Å | ||
| 173 | D | 44.7 | Very low | 56.2 | Low | 91 Ų | 91 | 127.3 Ų | 127.3 | 49% | 0.487 | 71% | 0.707 | S | S | . | * | trans | -61.4 | 103.2 | 169 | -75.4 | -42.4 | 0 | 0 | 0 | 108.2 | K167 T171 S175 | K167-D173 WeakPolarHBondContact CE-OD2 3.48Å; K167-D173 IonicContact NZ-OD2 2.64Å; K167-D173 PolarHBondContact NZ-OD2 3.48Å; T171-D173 PolarHBondContact O-N 2.99Å; T171-D173 VanDerWaalsContact O-N 3.16Å; D173-S175 PolarHBondContact O-N 2.86Å | ||
| 174 | T | 42.1 | Very low | 53.9 | Low | 139 Ų | 139 | 128.5 Ų | 128.5 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -89.9 | 32.6 | 170.3 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | I172 | I172-T174 PolarHBondContact O-N 3.35Š| ||
| 175 | S | 46.9 | Very low | 51.9 | Low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -106.9 | 8.8 | 177.5 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | D173 E177 | D173-S175 PolarHBondContact O-N 2.86Å; S175-E177 PolarHBondContact O-N 2.92Å | ||
| 176 | S | 49.8 | Very low | 50.1 | Low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -97.8 | 45 | -175.5 | 72.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 177 | E | 48.9 | Very low | 47.9 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | -150.7 | 100 | 166 | -68 | -163.4 | 138 | 0 | 0 | 110.9 | S175 | S175-E177 PolarHBondContact O-N 2.92Š| ||
| 178 | S | 45.3 | Very low | 45.6 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 166.9 | 59.5 | 144.9 | -74 | 0 | 0 | 0 | 0 | 112.3 | ||
| 179 | E | 41.5 | Very low | 43.6 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -147 | 53.3 | 163.8 | -78.2 | -76.2 | 137.2 | 0 | 0 | 108.9 | ||
| 180 | S | 39.2 | Very low | 42.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -153.1 | 56.1 | 168.4 | 68.9 | 0 | 0 | 0 | 0 | 112 | ||
| 181 | S | 42.7 | Very low | 41 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -159.8 | 96.1 | 160.7 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 182 | L | 40.7 | Very low | 39.7 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -179.8 | 27.7 | 153.9 | -99.4 | -179.4 | 0 | 0 | 0 | 114.6 | ||
| 183 | K | 41.3 | Very low | 39.1 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -139.7 | 62.9 | 169.9 | -66.5 | -172.4 | -177.9 | 178.2 | 0 | 111.5 | ||
| 184 | D | 33 | Very low | 39.3 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -153.8 | 55.6 | 162.2 | -147.6 | 24.3 | 0 | 0 | 0 | 112.5 | ||||
| 185 | L | 40.4 | Very low | 38.8 | Very low | 171 Ų | 171 | 141 Ų | 141 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -144.6 | 52.5 | 172.6 | -129.5 | 143.4 | 0 | 0 | 0 | 111.1 | ||||
| 186 | V | 41.2 | Very low | 38.1 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -145.5 | 122.7 | 157.7 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | ||
| 187 | Y | 31.9 | Very low | 37.4 | Very low | 209 Ų | 209 | 143.1 Ų | 143.1 | 82% | 0.82 | 82% | 0.819 | S | S | * | * | trans | 91.2 | 79.4 | 171.2 | -106.5 | -94 | 0 | 0 | 0 | 118.9 | ||||
| 188 | C | 31.3 | Very low | 37.9 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -122.1 | 107.4 | 142.9 | -89.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 189 | D | 28.6 | Very low | 37 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | 179.4 | 135.7 | 149 | -104.1 | -8 | 0 | 0 | 0 | 106 | ||||
| 190 | A | 33.5 | Very low | 36.7 | Very low | 62 Ų | 62 | 135.4 Ų | 135.4 | 51% | 0.512 | 80% | 0.804 | S | S | . | * | cis | -169.4 | 165.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 191 | F | 33.8 | Very low | 36.3 | Very low | 212 Ų | 212 | 135.6 Ų | 135.6 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | 76.5 | 120 | 159.1 | -57.7 | -72.4 | 0 | 0 | 0 | 121.2 | ||||
| 192 | G | 29.2 | Very low | 36 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 124.7 | 78.3 | 138 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 193 | S | 34.1 | Very low | 35.5 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 154.5 | 146.6 | -149 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 194 | P | 49.9 | Very low | 35 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -150.9 | 156.9 | 78.7 | 40.4 | -21.3 | 0 | 0 | 0 | 117.1 | |||||
| 195 | V | 32.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 62 | 116.1 | 133.8 | 158.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 196 | S | 30.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | 178.5 | 130.6 | 108.7 | -73.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 197 | T | 36 | Very low | 34.1 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -128.5 | 177.8 | 161.3 | 35.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 198 | P | 59.1 | Low | 34 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -135.4 | 177.3 | -39.7 | 34.6 | -16.8 | 0 | 0 | 0 | 112.1 | ||||
| 199 | S | 27.2 | Very low | 34.1 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -166.9 | 115.3 | 154.5 | -165.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 200 | S | 34.6 | Very low | 34.2 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | 57.6 | 127.2 | 89.5 | -146.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 201 | V | 31.2 | Very low | 34.1 | Very low | 125 Ų | 125 | 129 Ų | 129 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | -163.3 | 140.7 | 57 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 202 | H | 35.9 | Very low | 34.1 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -78.1 | 128.8 | 164.2 | 177.9 | 73.8 | 0 | 0 | 0 | 109.9 | ||||
| 203 | S | 29.6 | Very low | 34.2 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -139.2 | 131.9 | 165.9 | -171.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 204 | Y | 31.1 | Very low | 34.2 | Very low | 186 Ų | 186 | 131 Ų | 131 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | trans | -61.8 | 156.7 | 176.8 | -134.1 | -111.2 | 0 | 0 | 0 | 113.3 | ||||
| 205 | C | 31.3 | Very low | 34 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | -178.5 | 113 | 122.3 | -91 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 206 | Q | 32.8 | Very low | 34 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -106.1 | 170.2 | 150.5 | -85 | -175.5 | 14.1 | 0 | 0 | 108.7 | ||||
| 207 | T | 31.5 | Very low | 34.1 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 100.2 | 134 | 163.8 | -49.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 208 | A | 30.8 | Very low | 33.9 | Very low | 82 Ų | 82 | 133 Ų | 133 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | -163.6 | 149.2 | -2.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 209 | A | 33.3 | Very low | 32.6 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | 54.8 | 126.4 | 113.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 210 | G | 30.9 | Very low | 32.7 | Very low | 83 Ų | 83 | 132 Ų | 132 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -169.3 | 92.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 211 | E | 31.1 | Very low | 32.8 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 136.9 | 176.5 | 177.3 | -173.7 | 163.4 | 0 | 0 | 111.1 | ||||
| 212 | T | 33 | Very low | 33.7 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -165 | 138.5 | 143.8 | -27.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 213 | D | 31 | Very low | 33.5 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 81% | 0.806 | S | S | * | * | trans | -70.5 | 155.2 | -178.9 | -69 | -67.9 | 0 | 0 | 0 | 117.9 | ||||
| 214 | H | 34.5 | Very low | 33.8 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | 10.7 | 162.4 | 142 | -74.5 | -59.5 | 0 | 0 | 0 | 122.7 | ||||
| 215 | P | 47.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | cis | -148.7 | 168.1 | 32.1 | 39 | -16 | 0 | 0 | 0 | 120.4 | ||||
| 216 | S | 31 | Very low | 34.9 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 33.5 | 129.6 | 140.3 | -166.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 217 | S | 33.6 | Very low | 35.3 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | -161.6 | 150.1 | 127.5 | -153.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 218 | E | 32.2 | Very low | 35.3 | Very low | 186 Ų | 186 | 129 Ų | 129 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -82.9 | 169.1 | -163 | -63.1 | 165.9 | 118 | 0 | 0 | 116.3 | ||||
| 219 | G | 30.2 | Very low | 35 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 159.5 | 79.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 220 | T | 30.8 | Very low | 34.9 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | 76.4 | 110.8 | 100.5 | -56.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 221 | F | 35.6 | Very low | 34.8 | Very low | 198 Ų | 198 | 130.5 Ų | 130.5 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -73.9 | 171.5 | 168.4 | -63.4 | -90.2 | 0 | 0 | 0 | 112.4 | ||||
| 222 | P | 51.1 | Low | 35.6 | Very low | 131 Ų | 131 | 128 Ų | 128 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | -145.5 | 179.9 | 81.5 | 32 | -9.1 | 0 | 0 | 0 | 116 | |||||
| 223 | A | 30.8 | Very low | 35.5 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -80.5 | 161.3 | -162 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 224 | R | 35.3 | Very low | 35.4 | Very low | 213 Ų | 213 | 125.8 Ų | 125.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 10.3 | 154.2 | 141.9 | -130.4 | -162.2 | 169.3 | -163.5 | 1 | 120 | ||||
| 225 | P | 47.4 | Very low | 35.2 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -144.5 | 166.6 | 79.5 | 33 | -12.7 | 0 | 0 | 0 | 116.2 | |||||
| 226 | A | 38.9 | Very low | 34.4 | Very low | 51 Ų | 51 | 123.9 Ų | 123.9 | 42% | 0.421 | 79% | 0.794 | S | S | . | * | trans | -76.9 | 174 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 227 | P | 41.5 | Very low | 35 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -124.4 | 133.2 | 144.7 | 33.5 | -21.3 | 0 | 0 | 0 | 112.7 | ||||
| 228 | T | 30.6 | Very low | 34.7 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -112.5 | 134.5 | 162.5 | -32.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 229 | C | 25.7 | Very low | 34.7 | Very low | 118 Ų | 118 | 120 Ų | 120 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -174.3 | 114.1 | 149 | -95.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 230 | S | 31.3 | Very low | 34.6 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 86.4 | 119.6 | 87.8 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 231 | G | 28.4 | Very low | 34.7 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -69.5 | -165 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 232 | P | 46.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | -149.4 | 164 | 65 | 36.5 | -15.2 | 0 | 0 | 0 | 118.5 | |||||
| 233 | V | 31.8 | Very low | 33.3 | Very low | 149 Ų | 149 | 120.6 Ų | 120.6 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | trans | 33.9 | 121.3 | 138 | -170.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 234 | G | 28.4 | Very low | 33.2 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -174.6 | 94.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 235 | A | 30.1 | Very low | 32.8 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 54.6 | 122.6 | 146.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 236 | L | 31.2 | Very low | 31.8 | Very low | 150 Ų | 150 | 118.5 Ų | 118.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -50.8 | 173.8 | 155.8 | -90.1 | 125 | 0 | 0 | 0 | 114.5 | ||||
| 237 | P | 43.3 | Very low | 31.4 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -134 | 153.5 | 29.1 | 34.2 | -11.9 | 0 | 0 | 0 | 116 | ||||
| 238 | S | 27.8 | Very low | 30.9 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | 60.3 | 96.7 | 71.9 | -131 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 239 | S | 31.3 | Very low | 30.7 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -147 | 97.1 | 155.9 | -62.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 240 | A | 28.9 | Very low | 31.3 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | 50.1 | 92.7 | 74.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 241 | L | 32 | Very low | 31.3 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -135.4 | 92.3 | 148.2 | -78.3 | -178.4 | 0 | 0 | 0 | 109.1 | ||||
| 242 | T | 30.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | 28 | 116.9 | 133.9 | 44.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 243 | E | 28.5 | Very low | 30.5 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -40.7 | 133.5 | 143.5 | -72.4 | -176.3 | 135.3 | 0 | 0 | 111.8 | ||||
| 244 | I | 27.9 | Very low | 30.2 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | trans | -128.1 | 95.9 | 146.2 | -58.1 | 178.8 | 0 | 0 | 0 | 106.4 | S246 | I244-S246 PolarHBondContact O-N 2.92Š| ||
| 245 | C | 27 | Very low | 30.4 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -70.2 | 116.6 | 155.4 | -109.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 246 | S | 26.6 | Very low | 30.4 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -146.2 | 111.9 | 153.4 | -157.9 | 0 | 0 | 0 | 0 | 111.3 | I244 | I244-S246 PolarHBondContact O-N 2.92Š| ||
| 247 | T | 30.3 | Very low | 30.3 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -60.8 | 135 | 169.1 | 33.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 248 | R | 30.6 | Very low | 29.8 | Very low | 256 Ų | 256 | 145.4 Ų | 145.4 | 97% | 0.966 | 81% | 0.81 | S | S | * | * | trans | 124.5 | 115.4 | 149.6 | -84 | -178 | 158.1 | 177.8 | -4.8 | 112.7 | ||||
| 249 | G | 27.5 | Very low | 30 | Very low | 79 Ų | 79 | 146.8 Ų | 146.8 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 169.3 | 95.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 250 | V | 36.8 | Very low | 30.1 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -68.6 | 127.5 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 251 | Q | 31.5 | Very low | 30.2 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -168.5 | 105.8 | 157.9 | -104.3 | 159.4 | 39.1 | 0 | 0 | 108.9 | ||||
| 252 | L | 29.8 | Very low | 30.2 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | 82.1 | 90.8 | 98.3 | -151.7 | 101.5 | 0 | 0 | 0 | 110.8 | E254 | L252-E254 PolarHBondContact O-N 3.31Š| |||
| 253 | L | 29 | Very low | 30.2 | Very low | 166 Ų | 166 | 152 Ų | 152 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -75.5 | 99.8 | 174.8 | -176.3 | 68.6 | 0 | 0 | 0 | 108.4 | S255 | L253-S255 PolarHBondContact O-N 3.22Š| ||
| 254 | E | 26.5 | Very low | 30.2 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -68.1 | 112.8 | 163.4 | -76.9 | -165.9 | 145 | 0 | 0 | 109 | L252 | L252-E254 PolarHBondContact O-N 3.31Š| ||
| 255 | S | 32.7 | Very low | 30.2 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -91.9 | 113.8 | 170.6 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | L253 W257 | L253-S255 PolarHBondContact O-N 3.22Å; S255-W257 PolarHBondContact O-N 3.2Å | ||
| 256 | N | 28.8 | Very low | 30.2 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -43.9 | 124.8 | 170 | -62.8 | -35.7 | 0 | 0 | 0 | 112.6 | ||||
| 257 | W | 28.6 | Very low | 30.3 | Very low | 239 Ų | 239 | 150.8 Ų | 150.8 | 91% | 0.905 | 81% | 0.813 | S | S | * | * | trans | -108.4 | 128.8 | 169.8 | -169.6 | -90.1 | 0 | 0 | 0 | 109.9 | S255 | S255-W257 PolarHBondContact O-N 3.2Š| ||
| 258 | T | 34.6 | Very low | 30.2 | Very low | 106 Ų | 106 | 156.3 Ų | 156.3 | 65% | 0.65 | 82% | 0.819 | S | S | * | * | trans | -92.2 | 141.9 | 171.4 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | T260 | T258-T260 PolarHBondContact O-N 3.35Š| ||
| 259 | P | 31.4 | Very low | 30.1 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -79.2 | 120.9 | 179.9 | 30.9 | -29.8 | 0 | 0 | 0 | 110.6 | ||||
| 260 | T | 33.1 | Very low | 30.1 | Very low | 125 Ų | 125 | 151 Ų | 151 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | -104.4 | 127.5 | 166.8 | -57.4 | 0 | 0 | 0 | 0 | 109 | T258 | T258-T260 PolarHBondContact O-N 3.35Š| ||
| 261 | E | 31.5 | Very low | 29.7 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -39.1 | 135.8 | 176.5 | -67 | -95.3 | 125.8 | 0 | 0 | 114.7 | ||||
| 262 | Q | 30.7 | Very low | 29.4 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 61% | 0.612 | 81% | 0.807 | S | S | * | * | trans | -85.7 | 120.4 | 176.8 | -74 | -175.8 | -26.3 | 0 | 0 | 111 | R66 | R66-Q262 VanDerWaalsContact NH1-NE2 3.16Å; R66-Q262 VanDerWaalsContact NH2-NE2 3.14Å | ||
| 263 | L | 31.1 | Very low | 29.3 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | -90.4 | 112.8 | 157 | -73.8 | 172.3 | 0 | 0 | 0 | 108.9 | F265 | L263-F265 HydrophobicContact CB-CE2 4.47Š| ||
| 264 | C | 28.9 | Very low | 29.2 | Very low | 119 Ų | 119 | 142 Ų | 142 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 123.2 | 172.2 | -69.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 265 | F | 26.5 | Very low | 29.3 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -106.2 | 120.9 | 165.2 | -75.9 | -80.6 | 0 | 0 | 0 | 109.8 | L263 | L263-F265 HydrophobicContact CB-CE2 4.47Š| ||
| 266 | T | 28.3 | Very low | 29 | Very low | 142 Ų | 142 | 142 Ų | 142 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | trans | -95.2 | 119.4 | 163.9 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 267 | S | 28.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -77.5 | 135.4 | 172.3 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 268 | R | 28.1 | Very low | 28.8 | Very low | 248 Ų | 248 | 135.9 Ų | 135.9 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -132.7 | 114.8 | 162.6 | -151.6 | 175.6 | -159.6 | -134.1 | 3.6 | 109.9 | ||||
| 269 | S | 28.6 | Very low | 28.4 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -85.5 | 136.4 | 168.2 | -62.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 270 | S | 27.6 | Very low | 28.2 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | -179.3 | 135.7 | 121.9 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 271 | S | 27.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 55.4 | 118 | 135.4 | -53 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 272 | G | 25.1 | Very low | 27.6 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -95.4 | -172.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 273 | S | 27.6 | Very low | 27.4 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -162.7 | 158.8 | 145.9 | 81.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 274 | V | 26.9 | Very low | 27.1 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -91.2 | 139.5 | -169.6 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 275 | L | 29.1 | Very low | 27.1 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | -174.8 | 122.2 | 133.1 | -126.7 | 82.1 | 0 | 0 | 0 | 114.8 | ||||
| 276 | N | 25.6 | Very low | 27.1 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | trans | 51.7 | 118.3 | 131.7 | -93.6 | -22.1 | 0 | 0 | 0 | 124.6 | ||||
| 277 | K | 26.8 | Very low | 27.4 | Very low | 178 Ų | 178 | 124.3 Ų | 124.3 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | 80.6 | 132 | 114.7 | -93.8 | -178.8 | 179.7 | -176.7 | 0 | 122.5 | |||||
| 278 | S | 27 | Very low | 27.4 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 81.9 | 143.5 | 144.9 | -54.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 279 | Q | 26.6 | Very low | 28 | Very low | 171 Ų | 171 | 120.1 Ų | 120.1 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | cis | -176 | 159.6 | -12 | -134.5 | 179.6 | -101.1 | 0 | 0 | 105.2 | ||||
| 280 | V | 26.4 | Very low | 28.1 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | trans | 79.6 | 102.9 | 144.5 | 172.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 281 | S | 24.5 | Very low | 28.6 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 88.7 | 128.2 | 114.1 | -57.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 282 | S | 26.7 | Very low | 28.6 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 92.3 | 123.9 | 130.1 | 80.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 283 | S | 28.1 | Very low | 29.3 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 59.9 | 136.3 | 140 | 63.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 284 | G | 24.8 | Very low | 29.6 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | cis | 170.8 | 155.2 | 9.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 285 | C | 27.7 | Very low | 30.1 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | 34.7 | 115.8 | 149.7 | -50 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 286 | S | 26.5 | Very low | 30.6 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | 165.7 | 132.3 | 92.5 | -71.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 287 | A | 35.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -63.6 | 129.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 288 | M | 27.8 | Very low | 32.5 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | trans | -132.3 | 111.6 | 150.5 | -73.7 | -146.5 | 75.8 | 0 | 0 | 108.8 | S290 | M288-S290 PolarHBondContact O-N 2.88Š| ||
| 289 | S | 41.6 | Very low | 33.7 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -55.5 | 115.2 | 163.9 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 290 | S | 29.8 | Very low | 35.2 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -122.7 | 97.7 | 168.2 | -60 | 0 | 0 | 0 | 0 | 106.7 | M288 S292 | M288-S290 PolarHBondContact O-N 2.88Å; S290-S292 VanDerWaalsContact C-N 3.31Å; S290-S292 PolarHBondContact O-N 3.21Å | ||
| 291 | Q | 38.9 | Very low | 36.5 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -58.8 | 99.1 | 165.3 | -69.5 | -177.1 | -3.1 | 0 | 0 | 107.7 | L293 | Q291-L293 PolarHBondContact O-N 3.13Š| ||
| 292 | S | 27.7 | Very low | 38.2 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 50% | 0.503 | 73% | 0.725 | S | S | . | * | trans | -79.6 | 114.2 | 170.3 | 167.2 | 0 | 0 | 0 | 0 | 108 | S290 H294 | S290-S292 VanDerWaalsContact C-N 3.31Å; S290-S292 PolarHBondContact O-N 3.21Å; S292-H294 VanDerWaalsContact CB-NE2 3.28Å; S292-H294 WeakPolarHBondContact CB-NE2 3.43Å; S292-H294 PolarHBondContact O-CD2 3.43Å; S292-H294 PolarHBondContact O-N 2.91Å; S292-H294 PolarHBondContact OG-CD2 2.91Å; S292-H294 PolarHBondContact OG-CE1 3.49Å; S292-H294 PolarHBondContact OG-NE2 3.21Å | ||
| 293 | L | 41.1 | Very low | 40.5 | Very low | 174 Ų | 174 | 121.8 Ų | 121.8 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | trans | -60.9 | 78.8 | 169 | -172.4 | 78.5 | 0 | 0 | 0 | 109 | Q291 K295 | Q291-L293 PolarHBondContact O-N 3.13Å; L293-K295 PolarHBondContact O-N 3.41Å | ||
| 294 | H | 32.3 | Very low | 42.2 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -78.4 | 118.2 | 172.2 | -69.7 | -71.3 | 0 | 0 | 0 | 108.5 | S292 | S292-H294 VanDerWaalsContact CB-NE2 3.28Å; S292-H294 WeakPolarHBondContact CB-NE2 3.43Å; S292-H294 PolarHBondContact O-CD2 3.43Å; S292-H294 PolarHBondContact O-N 2.91Å; S292-H294 PolarHBondContact OG-CD2 2.91Å; S292-H294 PolarHBondContact OG-CE1 3.49Å; S292-H294 PolarHBondContact OG-NE2 3.21Å | ||
| 295 | K | 39 | Very low | 44.2 | Very low | 189 Ų | 189 | 121.9 Ų | 121.9 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -44.6 | 132.9 | 163.7 | -65 | 174.4 | 178.7 | 177.9 | 0 | 108.2 | L293 T297 | L293-K295 PolarHBondContact O-N 3.41Å; K295-T297 PolarHBondContact O-N 3.19Å | ||
| 296 | P | 39.6 | Very low | 45.5 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 81% | 0.805 | 68% | 0.676 | S | S | * | * | trans | -65.4 | 116.1 | -173.8 | 26.1 | -30.9 | 0 | 0 | 0 | 108 | D298 | P296-D298 PolarHBondContact O-N 3.48Š| ||
| 297 | T | 42.6 | Very low | 46.7 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | trans | -54 | 113.3 | 156.1 | -48.2 | 0 | 0 | 0 | 0 | 105.2 | K295 L299 | K295-T297 PolarHBondContact O-N 3.19Å; T297-L299 VanDerWaalsContact C-N 3.3Å; T297-L299 PolarHBondContact O-N 3.4Å | ||
| 298 | D | 48.3 | Very low | 47.7 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | -55.2 | 97.8 | 178.2 | -167.5 | 15 | 0 | 0 | 0 | 107.5 | P296 A300 | P296-D298 PolarHBondContact O-N 3.48Å; D298-A300 PolarHBondContact O-N 3.23Å | ||
| 299 | L | 53.4 | Low | 49.4 | Very low | 139 Ų | 139 | 115 Ų | 115 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | trans | -75 | 85.2 | -174.6 | -150.7 | 88.3 | 0 | 0 | 0 | 105.1 | T297 F301 | T297-L299 VanDerWaalsContact C-N 3.3Å; T297-L299 PolarHBondContact O-N 3.4Å; L299-F301 PolarHBondContact O-N 3.19Å | ||
| 300 | A | 57.8 | Low | 50.7 | Low | 41 Ų | 41 | 113.5 Ų | 113.5 | 34% | 0.339 | 65% | 0.648 | S | S | . | * | trans | -59.9 | -9.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D298 | D298-A300 PolarHBondContact O-N 3.23Š| ||
| 301 | F | 53.4 | Low | 53 | Low | 120 Ų | 120 | 109.9 Ų | 109.9 | 53% | 0.526 | 62% | 0.622 | S | S | . | * | trans | -142.8 | 119.7 | 179.9 | -48.3 | -70.2 | 0 | 0 | 0 | 112 | L299 S315 F316 | L299-F301 PolarHBondContact O-N 3.19Å; F301-S315 WeakPolarHBondContact CA-O 3.32Å; F301-F316 AromaticContact CD1-CD1 3.52Å; F301-F316 HydrophobicContact CD1-CD1 3.52Å; F301-F316 AromaticContact CD1-CE1 3.63Å; F301-F316 HydrophobicContact CD1-CE1 3.63Å; F301-F316 HydrophobicContact CD1-CG 4.12Å; F301-F316 HydrophobicContact CD1-CZ 4.41Å; F301-F316 AromaticContact CE1-CD1 3.23Å; F301-F316 HydrophobicContact CE1-CD1 3.23Å; F301-F316 AromaticContact CE1-CE1 3.57Å; F301-F316 HydrophobicContact CE1-CE1 3.57Å; F301-F316 HydrophobicContact CE1-CG 4.1Å; F301-F316 HydrophobicContact CZ-CD1 4.41Å | ||
| 302 | S | 60.4 | Low | 55.1 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.2 | 169.2 | 69.3 | 0 | 0 | 0 | 0 | 110.1 | S315 | S302-S315 PolarHBondContact O-N 3.49Å; S302-S315 VanDerWaalsContact OG-CB 3.24Å; S302-S315 WeakPolarHBondContact OG-CB 3.49Å; S302-S315 PolarHBondContact OG-OG 2.97Å; S302-S315 VanDerWaalsContact OG-OG 3.11Å |
| 303 | M | 74 | Confident | 57.9 | Low | 118 Ų | 118 | 102 Ų | 102 | 58% | 0.581 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.5 | 178.9 | -176.6 | 178.5 | 69 | 0 | 0 | 110.9 | K312 T313 | M303-K312 HydrophobicContact CG-CG 4.21Å; M303-K312 HydrophobicContact SD-CD 4.24Å; M303-K312 WeakPolarHBondContact SD-CE 3.35Å; M303-K312 HydrophobicContact SD-CG 4.24Å; M303-T313 WeakPolarHBondContact CA-O 3.33Å |
| 304 | S | 65.2 | Low | 60.2 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.3 | 175.9 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | T313 | S304-T313 PolarHBondContact N-O 3.38Å; S304-T313 PolarHBondContact O-N 3.01Å; S304-T313 VanDerWaalsContact O-N 3.08Å |
| 305 | L | 65.2 | Low | 62.8 | Low | 122 Ų | 122 | 89.5 Ų | 89.5 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.6 | 171 | -58.5 | 179.7 | 0 | 0 | 0 | 108 | K312 | L305-K312 HydrophobicContact CD2-CB 3.91Å; L305-K312 HydrophobicContact CD2-CG 3.83Å |
| 306 | S | 56 | Low | 65 | Low | 52 Ų | 52 | 83.8 Ų | 83.8 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | trans | -79.4 | 125.8 | 173.7 | -68.3 | 0 | 0 | 0 | 0 | 109.4 | S308 S309 | S306-S308 PolarHBondContact O-N 3.17Å; S306-S309 PolarHBondContact O-N 3.35Å | ||
| 307 | P | 52.4 | Low | 67.2 | Low | 145 Ų | 145 | 81.6 Ų | 81.6 | 94% | 0.942 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.2 | -177.1 | -26 | 34.8 | 0 | 0 | 0 | 114.9 | ||
| 308 | S | 56.2 | Low | 69.3 | Low | 117 Ų | 117 | 81.7 Ų | 81.7 | 82% | 0.818 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -4.7 | -175.7 | 51 | 0 | 0 | 0 | 0 | 114.5 | S306 | S306-S308 PolarHBondContact O-N 3.17Š|
| 309 | S | 63.4 | Low | 71.3 | Confident | 53 Ų | 53 | 75 Ų | 75 | 37% | 0.371 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -151.1 | 144.5 | 179 | 61.8 | 0 | 0 | 0 | 0 | 111 | S306 V311 | S306-S309 PolarHBondContact O-N 3.35Å; S309-V311 PolarHBondContact O-N 3.27Å; S309-V311 VanDerWaalsContact OG-CG2 3.22Å; S309-V311 WeakPolarHBondContact OG-CG2 3.44Å |
| 310 | S | 68.7 | Low | 73.1 | Confident | 77 Ų | 77 | 72.3 Ų | 72.3 | 54% | 0.538 | 42% | 0.419 | S | S | . | . | trans | -69.2 | 31.4 | 175 | 57 | 0 | 0 | 0 | 0 | 113 | K325 | S310-K325 PolarHBondContact OG-O 3.4Å; S310-K325 VanDerWaalsContact OG-O 3.09Å | ||
| 311 | V | 76.9 | Confident | 74.8 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 17% | 0.17 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118.4 | -179.7 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | S309 F322 I323 R324 | S309-V311 PolarHBondContact O-N 3.27Å; S309-V311 VanDerWaalsContact OG-CG2 3.22Å; S309-V311 WeakPolarHBondContact OG-CG2 3.44Å; V311-F322 HydrophobicContact CG1-CB 4.49Å; V311-F322 HydrophobicContact CG1-CD1 4.4Å; V311-I323 CarbonylContact C-O 3.52Å; V311-I323 VanDerWaalsContact CA-O 3.32Å; V311-I323 WeakPolarHBondContact CA-O 3.23Å; V311-R324 HydrophobicContact CB-CB 4.35Å; V311-R324 HydrophobicContact CG2-CB 3.71Å |
| 312 | K | 84.6 | Confident | 76.5 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 35% | 0.348 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118.7 | 171.9 | -173.1 | -177.8 | -170.7 | -165.3 | 0 | 108.4 | M303 L305 H314 I323 | M303-K312 HydrophobicContact CG-CG 4.21Å; M303-K312 HydrophobicContact SD-CD 4.24Å; M303-K312 WeakPolarHBondContact SD-CE 3.35Å; M303-K312 HydrophobicContact SD-CG 4.24Å; L305-K312 HydrophobicContact CD2-CB 3.91Å; L305-K312 HydrophobicContact CD2-CG 3.83Å; K312-H314 VanDerWaalsContact CD-NE2 3.28Å; K312-H314 WeakPolarHBondContact CD-NE2 3.47Å; K312-H314 WeakPolarHBondContact CE-CE1 3.31Å; K312-H314 WeakPolarHBondContact CE-NE2 3.44Å; K312-H314 PolarHBondContact NZ-NE2 3.28Å; K312-I323 HydrophobicContact CB-CB 4.33Å; K312-I323 PolarHBondContact N-O 3.19Å; K312-I323 PolarHBondContact O-N 3.3Å |
| 313 | T | 86.4 | Confident | 78 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 9% | 0.086 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134 | 177.4 | -52.2 | 0 | 0 | 0 | 0 | 109.3 | M303 S304 A321 F322 | M303-T313 WeakPolarHBondContact CA-O 3.33Å; S304-T313 PolarHBondContact N-O 3.38Å; S304-T313 PolarHBondContact O-N 3.01Å; S304-T313 VanDerWaalsContact O-N 3.08Å; T313-A321 CarbonylContact C-O 3.55Å; T313-A321 WeakPolarHBondContact CA-O 3.42Å; T313-F322 HydrophobicContact CG2-CD1 3.79Å; T313-F322 HydrophobicContact CG2-CE1 3.5Å; T313-F322 HydrophobicContact CG2-CZ 4.17Å; T313-F322 WeakPolarHBondContact OG1-CD1 3.36Å |
| 314 | H | 87.4 | Confident | 78.7 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 18% | 0.181 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.2 | 174.1 | -67 | -89.3 | 0 | 0 | 0 | 108.7 | K312 F316 Q320 A321 | K312-H314 VanDerWaalsContact CD-NE2 3.28Å; K312-H314 WeakPolarHBondContact CD-NE2 3.47Å; K312-H314 WeakPolarHBondContact CE-CE1 3.31Å; K312-H314 WeakPolarHBondContact CE-NE2 3.44Å; K312-H314 PolarHBondContact NZ-NE2 3.28Å; H314-F316 HydrophobicContact CB-CD2 4.34Å; H314-F316 HydrophobicContact CB-CE2 3.46Å; H314-F316 VanDerWaalsContact CB-CE2 3.46Å; H314-F316 HydrophobicContact CB-CZ 4Å; H314-F316 WeakPolarHBondContact O-CD2 3.24Å; H314-Q320 WeakPolarHBondContact O-CA 3.43Å; H314-A321 HydrophobicContact CB-CB 4.24Å; H314-A321 PolarHBondContact N-O 3.13Å; H314-A321 PolarHBondContact O-N 3.28Å |
| 315 | S | 86.9 | Confident | 79.7 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.7 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | F301 S302 | F301-S315 WeakPolarHBondContact CA-O 3.32Å; S302-S315 PolarHBondContact O-N 3.49Å; S302-S315 VanDerWaalsContact OG-CB 3.24Å; S302-S315 WeakPolarHBondContact OG-CB 3.49Å; S302-S315 PolarHBondContact OG-OG 2.97Å; S302-S315 VanDerWaalsContact OG-OG 3.11Å |
| 316 | F | 86.1 | Confident | 80.5 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 30% | 0.303 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.4 | 175.9 | -59.3 | -104.2 | 0 | 0 | 0 | 108.6 | F301 H314 Q318 G319 A321 W335 | F301-F316 AromaticContact CD1-CD1 3.52Å; F301-F316 HydrophobicContact CD1-CD1 3.52Å; F301-F316 AromaticContact CD1-CE1 3.63Å; F301-F316 HydrophobicContact CD1-CE1 3.63Å; F301-F316 HydrophobicContact CD1-CG 4.12Å; F301-F316 HydrophobicContact CD1-CZ 4.41Å; F301-F316 AromaticContact CE1-CD1 3.23Å; F301-F316 HydrophobicContact CE1-CD1 3.23Å; F301-F316 AromaticContact CE1-CE1 3.57Å; F301-F316 HydrophobicContact CE1-CE1 3.57Å; F301-F316 HydrophobicContact CE1-CG 4.1Å; F301-F316 HydrophobicContact CZ-CD1 4.41Å; H314-F316 HydrophobicContact CB-CD2 4.34Å; H314-F316 HydrophobicContact CB-CE2 3.46Å; H314-F316 VanDerWaalsContact CB-CE2 3.46Å; H314-F316 HydrophobicContact CB-CZ 4Å; H314-F316 WeakPolarHBondContact O-CD2 3.24Å; F316-Q318 PolarHBondContact O-N 3.28Å; F316-G319 CarbonylContact C-O 3.17Å; F316-G319 WeakPolarHBondContact CA-O 3.46Å; F316-G319 WeakPolarHBondContact CB-O 3.22Å; F316-G319 PolarHBondContact N-O 2.95Å; F316-G319 PolarHBondContact O-N 3.11Å; F316-G319 VanDerWaalsContact O-N 3.17Å; F316-A321 HydrophobicContact CE2-CB 3.86Å; F316-W335 HydrophobicContact CB-CH2 3.99Å; F316-W335 HydrophobicContact CB-CZ3 4.42Å; F316-W335 AromaticContact CD2-CH2 4Å; F316-W335 HydrophobicContact CD2-CH2 4Å; F316-W335 AromaticContact CD2-CZ3 3.56Å; F316-W335 HydrophobicContact CD2-CZ3 3.56Å; F316-W335 HydrophobicContact CE2-CZ3 4.02Å; F316-W335 HydrophobicContact CG-CH2 4.06Å; F316-W335 HydrophobicContact CG-CZ3 4.07Å |
| 317 | P | 85.1 | Confident | 81.8 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 51% | 0.506 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -35.8 | 172.8 | -26.1 | 34.7 | 0 | 0 | 0 | 112.9 | R338 | P317-R338 WeakPolarHBondContact O-CD 3.45Š|
| 318 | Q | 86.7 | Confident | 83.3 | Confident | 124 Ų | 124 | 68 Ų | 68 | 58% | 0.579 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.9 | -176.9 | -56.2 | 79.9 | 8 | 0 | 0 | 114 | F316 W335 R338 | F316-Q318 PolarHBondContact O-N 3.28Å; Q318-W335 HydrophobicContact CB-CH2 4.47Å; Q318-W335 HydrophobicContact CB-CZ2 4.19Å; Q318-R338 PolarHBondContact O-N 3.47Å |
| 319 | G | 90.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.3 | -166.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F316 V336 | F316-G319 CarbonylContact C-O 3.17Å; F316-G319 WeakPolarHBondContact CA-O 3.46Å; F316-G319 WeakPolarHBondContact CB-O 3.22Å; F316-G319 PolarHBondContact N-O 2.95Å; F316-G319 PolarHBondContact O-N 3.11Å; F316-G319 VanDerWaalsContact O-N 3.17Å; G319-V336 CarbonylContact C-O 3.56Å; G319-V336 WeakPolarHBondContact CA-O 3.5Å |
| 320 | Q | 92.3 | Very high | 85.5 | Confident | 84 Ų | 84 | 69.8 Ų | 69.8 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.2 | -179.4 | -65.5 | -175.5 | -46.9 | 0 | 0 | 110.7 | H314 F322 V336 | H314-Q320 WeakPolarHBondContact O-CA 3.43Å; Q320-F322 HydrophobicContact CB-CE2 3.82Å; Q320-F322 HydrophobicContact CB-CZ 4Å; Q320-V336 PolarHBondContact N-O 3.2Å; Q320-V336 PolarHBondContact O-N 3.44Å |
| 321 | A | 92.3 | Very high | 86.3 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T313 H314 F316 F333 T334 W335 | T313-A321 CarbonylContact C-O 3.55Å; T313-A321 WeakPolarHBondContact CA-O 3.42Å; H314-A321 HydrophobicContact CB-CB 4.24Å; H314-A321 PolarHBondContact N-O 3.13Å; H314-A321 PolarHBondContact O-N 3.28Å; F316-A321 HydrophobicContact CE2-CB 3.86Å; A321-F333 HydrophobicContact CB-CE2 3.85Å; A321-F333 HydrophobicContact CB-CZ 4.11Å; A321-T334 CarbonylContact C-O 3.57Å; A321-T334 WeakPolarHBondContact CA-O 3.43Å; A321-W335 HydrophobicContact CB-CE3 3.81Å; A321-W335 HydrophobicContact CB-CZ3 4.08Å |
| 322 | F | 90.7 | Very high | 86.8 | Confident | 59 Ų | 59 | 75 Ų | 75 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.8 | 176 | -55.1 | -92 | 0 | 0 | 0 | 109.2 | V311 T313 Q320 F333 T334 V336 | V311-F322 HydrophobicContact CG1-CB 4.49Å; V311-F322 HydrophobicContact CG1-CD1 4.4Å; T313-F322 HydrophobicContact CG2-CD1 3.79Å; T313-F322 HydrophobicContact CG2-CE1 3.5Å; T313-F322 HydrophobicContact CG2-CZ 4.17Å; T313-F322 WeakPolarHBondContact OG1-CD1 3.36Å; Q320-F322 HydrophobicContact CB-CE2 3.82Å; Q320-F322 HydrophobicContact CB-CZ 4Å; F322-F333 CarbonylContact O-C 3.48Å; F322-F333 WeakPolarHBondContact O-CA 3.32Å; F322-T334 PolarHBondContact N-O 3.37Å; F322-T334 PolarHBondContact O-N 3.14Å; F322-V336 HydrophobicContact CD2-CG2 4.2Å; F322-V336 HydrophobicContact CE2-CB 4.3Å; F322-V336 HydrophobicContact CE2-CG2 3.73Å |
| 323 | I | 90.7 | Very high | 87.2 | Confident | 47 Ų | 47 | 77.7 Ų | 77.7 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124 | 178 | -56.8 | 172.6 | 0 | 0 | 0 | 107.5 | V311 K312 W331 N332 F333 | V311-I323 CarbonylContact C-O 3.52Å; V311-I323 VanDerWaalsContact CA-O 3.32Å; V311-I323 WeakPolarHBondContact CA-O 3.23Å; K312-I323 HydrophobicContact CB-CB 4.33Å; K312-I323 PolarHBondContact N-O 3.19Å; K312-I323 PolarHBondContact O-N 3.3Å; I323-W331 HydrophobicContact CG2-CE3 3.73Å; I323-W331 HydrophobicContact CG2-CZ3 4.02Å; I323-N332 WeakPolarHBondContact CA-O 3.16Å; I323-F333 HydrophobicContact CG1-CD2 4.07Å |
| 324 | R | 89.2 | Confident | 87.5 | Confident | 139 Ų | 139 | 80.4 Ų | 80.4 | 53% | 0.525 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.9 | 176.2 | 70 | 179.8 | -178 | -177.6 | -0.8 | 112 | V311 W331 N332 | V311-R324 HydrophobicContact CB-CB 4.35Å; V311-R324 HydrophobicContact CG2-CB 3.71Å; R324-W331 WeakPolarHBondContact O-CA 3.48Å; R324-N332 HydrophobicContact CG-CB 3.83Å; R324-N332 PolarHBondContact N-O 3.47Å; R324-N332 PolarHBondContact O-N 3.14Å |
| 325 | K | 86.4 | Confident | 87.7 | Confident | 97 Ų | 97 | 83.6 Ų | 83.6 | 42% | 0.422 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.5 | 171.9 | -163.6 | 175.5 | -179.6 | 176.6 | 0 | 109.1 | S310 G329 R330 W331 | S310-K325 PolarHBondContact OG-O 3.4Å; S310-K325 VanDerWaalsContact OG-O 3.09Å; K325-G329 WeakPolarHBondContact CE-O 3.46Å; K325-R330 WeakPolarHBondContact CA-O 3.44Å; K325-W331 HydrophobicContact CB-CD2 4.25Å; K325-W331 HydrophobicContact CB-CE3 3.82Å; K325-W331 HydrophobicContact CB-CH2 3.98Å; K325-W331 HydrophobicContact CB-CZ2 4.38Å; K325-W331 HydrophobicContact CB-CZ3 3.68Å; K325-W331 HydrophobicContact CD-CH2 4.06Å; K325-W331 HydrophobicContact CD-CZ2 3.8Å; K325-W331 HydrophobicContact CG-CD2 4.29Å; K325-W331 HydrophobicContact CG-CE3 4.35Å; K325-W331 HydrophobicContact CG-CH2 4.39Å; K325-W331 HydrophobicContact CG-CZ2 4.3Å; K325-W331 HydrophobicContact CG-CZ3 4.41Å |
| 326 | D | 81.9 | Confident | 88 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | trans | -75.2 | 171.9 | 174.2 | 69 | 20.2 | 0 | 0 | 0 | 112.1 | G328 G329 R330 | D326-G328 PolarHBondContact O-N 2.88Å; D326-G328 VanDerWaalsContact OD1-C 3.24Å; D326-G328 WeakPolarHBondContact OD1-CA 3.1Å; D326-G328 PolarHBondContact OD1-N 3.39Å; D326-G329 PolarHBondContact O-N 2.88Å; D326-G329 PolarHBondContact OD1-N 2.85Å; D326-R330 PolarHBondContact N-O 3.34Å; D326-R330 PolarHBondContact OD1-N 2.87Å; D326-R330 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 327 | T | 83.3 | Confident | 88.1 | Confident | 160 Ų | 160 | 86 Ų | 86 | 98% | 0.982 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -18.7 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 113 | G329 | T327-G329 VanDerWaalsContact C-N 3.3Š|
| 328 | G | 83.4 | Confident | 88.2 | Confident | 72 Ų | 72 | 91.3 Ų | 91.3 | 74% | 0.742 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | D326 | D326-G328 PolarHBondContact O-N 2.88Å; D326-G328 VanDerWaalsContact OD1-C 3.24Å; D326-G328 WeakPolarHBondContact OD1-CA 3.1Å; D326-G328 PolarHBondContact OD1-N 3.39Å |
| 329 | G | 80.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 94.4 Ų | 94.4 | 35% | 0.351 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 82.5 | 4.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K325 D326 T327 | K325-G329 WeakPolarHBondContact CE-O 3.46Å; D326-G329 PolarHBondContact O-N 2.88Å; D326-G329 PolarHBondContact OD1-N 2.85Å; T327-G329 VanDerWaalsContact C-N 3.3Å |
| 330 | R | 85.1 | Confident | 86.8 | Confident | 174 Ų | 174 | 103.1 Ų | 103.1 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | trans | -81 | 140.8 | 175.3 | 173.7 | -162 | -55.1 | -89 | -0.1 | 110.3 | K325 D326 | K325-R330 WeakPolarHBondContact CA-O 3.44Å; D326-R330 PolarHBondContact N-O 3.34Å; D326-R330 PolarHBondContact OD1-N 2.87Å; D326-R330 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 331 | W | 86.7 | Confident | 85.4 | Confident | 162 Ų | 162 | 108.9 Ų | 108.9 | 61% | 0.614 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 131.3 | 174.7 | -66.1 | 102.5 | 0 | 0 | 0 | 110.5 | I323 R324 K325 | I323-W331 HydrophobicContact CG2-CE3 3.73Å; I323-W331 HydrophobicContact CG2-CZ3 4.02Å; R324-W331 WeakPolarHBondContact O-CA 3.48Å; K325-W331 HydrophobicContact CB-CD2 4.25Å; K325-W331 HydrophobicContact CB-CE3 3.82Å; K325-W331 HydrophobicContact CB-CH2 3.98Å; K325-W331 HydrophobicContact CB-CZ2 4.38Å; K325-W331 HydrophobicContact CB-CZ3 3.68Å; K325-W331 HydrophobicContact CD-CH2 4.06Å; K325-W331 HydrophobicContact CD-CZ2 3.8Å; K325-W331 HydrophobicContact CG-CD2 4.29Å; K325-W331 HydrophobicContact CG-CE3 4.35Å; K325-W331 HydrophobicContact CG-CH2 4.39Å; K325-W331 HydrophobicContact CG-CZ2 4.3Å; K325-W331 HydrophobicContact CG-CZ3 4.41Å |
| 332 | N | 86.7 | Confident | 85.1 | Confident | 52 Ų | 52 | 114.1 Ų | 114.1 | 28% | 0.278 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 128 | 173.7 | -64.9 | -76.2 | 0 | 0 | 0 | 108.7 | I323 R324 | I323-N332 WeakPolarHBondContact CA-O 3.16Å; R324-N332 HydrophobicContact CG-CB 3.83Å; R324-N332 PolarHBondContact N-O 3.47Å; R324-N332 PolarHBondContact O-N 3.14Å |
| 333 | F | 92.4 | Very high | 84.8 | Confident | 136 Ų | 136 | 116.9 Ų | 116.9 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.4 | 177.2 | 176.9 | -93.1 | 0 | 0 | 0 | 109.5 | A321 F322 I323 W335 | A321-F333 HydrophobicContact CB-CE2 3.85Å; A321-F333 HydrophobicContact CB-CZ 4.11Å; F322-F333 CarbonylContact O-C 3.48Å; F322-F333 WeakPolarHBondContact O-CA 3.32Å; I323-F333 HydrophobicContact CG1-CD2 4.07Å; F333-W335 HydrophobicContact CE1-CB 3.84Å; F333-W335 HydrophobicContact CZ-CB 4.2Å |
| 334 | T | 92.7 | Very high | 84.5 | Confident | 71 Ų | 71 | 120.8 Ų | 120.8 | 44% | 0.436 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.2 | 123.9 | 176.3 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | A321 F322 V336 | A321-T334 CarbonylContact C-O 3.57Å; A321-T334 WeakPolarHBondContact CA-O 3.43Å; F322-T334 PolarHBondContact N-O 3.37Å; F322-T334 PolarHBondContact O-N 3.14Å; T334-V336 HydrophobicContact CG2-CG2 4.42Å |
| 335 | W | 93.4 | Very high | 84.2 | Confident | 107 Ų | 107 | 119.8 Ų | 119.8 | 41% | 0.405 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.1 | 174.6 | 176.6 | -106.4 | 0 | 0 | 0 | 110 | F316 Q318 A321 F333 | F316-W335 HydrophobicContact CB-CH2 3.99Å; F316-W335 HydrophobicContact CB-CZ3 4.42Å; F316-W335 AromaticContact CD2-CH2 4Å; F316-W335 HydrophobicContact CD2-CH2 4Å; F316-W335 AromaticContact CD2-CZ3 3.56Å; F316-W335 HydrophobicContact CD2-CZ3 3.56Å; F316-W335 HydrophobicContact CE2-CZ3 4.02Å; F316-W335 HydrophobicContact CG-CH2 4.06Å; F316-W335 HydrophobicContact CG-CZ3 4.07Å; Q318-W335 HydrophobicContact CB-CH2 4.47Å; Q318-W335 HydrophobicContact CB-CZ2 4.19Å; A321-W335 HydrophobicContact CB-CE3 3.81Å; A321-W335 HydrophobicContact CB-CZ3 4.08Å; F333-W335 HydrophobicContact CE1-CB 3.84Å; F333-W335 HydrophobicContact CZ-CB 4.2Å |
| 336 | V | 91.8 | Very high | 84.1 | Confident | 69 Ų | 69 | 121.2 Ų | 121.2 | 42% | 0.418 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.5 | 104.9 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | G319 Q320 F322 T334 | G319-V336 CarbonylContact C-O 3.56Å; G319-V336 WeakPolarHBondContact CA-O 3.5Å; Q320-V336 PolarHBondContact N-O 3.2Å; Q320-V336 PolarHBondContact O-N 3.44Å; F322-V336 HydrophobicContact CD2-CG2 4.2Å; F322-V336 HydrophobicContact CE2-CB 4.3Å; F322-V336 HydrophobicContact CE2-CG2 3.73Å; T334-V336 HydrophobicContact CG2-CG2 4.42Å |
| 337 | P | 89.4 | Confident | 84.2 | Confident | 79 Ų | 79 | 125.5 Ų | 125.5 | 51% | 0.513 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.6 | 143.6 | 177.8 | 28 | -32.6 | 0 | 0 | 0 | 110.4 | Q339 | P337-Q339 PolarHBondContact O-N 3.12Å |
| 338 | R | 86.8 | Confident | 84.3 | Confident | 189 Ų | 189 | 123.1 Ų | 123.1 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 122.8 | 165.7 | -101.1 | 177.5 | 153.1 | -115.4 | -2.2 | 107.7 | P317 Q318 E340 | P317-R338 WeakPolarHBondContact O-CD 3.45Å; Q318-R338 PolarHBondContact O-N 3.47Å; R338-E340 PolarHBondContact O-N 3.22Å |
| 339 | Q | 75.6 | Confident | 84.4 | Confident | 190 Ų | 190 | 127 Ų | 127 | 89% | 0.888 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 123.2 | 167.4 | -64.5 | -170.6 | 46.4 | 0 | 0 | 107.4 | P337 | P337-Q339 PolarHBondContact O-N 3.12Š|
| 340 | E | 71.4 | Confident | 84.7 | Confident | 183 Ų | 183 | 134.8 Ų | 134.8 | 86% | 0.855 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 141.8 | 167.4 | -72.1 | -173 | 156.9 | 0 | 0 | 109 | R338 | R338-E340 PolarHBondContact O-N 3.22Š|
| 341 | P | 64.4 | Low | 84.7 | Confident | 205 Ų | 205 | 131.2 Ų | 131.2 | 100% | 1.331 | 64% | 0.641 | S | S | * | * | trans | -61 | 0 | 179.9 | -20.4 | 31.3 | 0 | 0 | 0 | 114.9 |
Retrieved 341 of 341 residues in 190.3 ms
(Link to these results)