| 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 | 60.3 | Low | 66.5 | Low | 223 Ų | 223 | 111.4 Ų | 111.4 | 100% | 1.099 | 65% | 0.651 | S | S | * | * | 0 | -38.5 | 0 | -89.1 | -172.3 | -112.6 | 0 | 0 | 114.2 | A3 A4 | M1-A3 PolarHBondContact O-N 3.34Å; M1-A4 PolarHBondContact O-N 2.61Å | |||
| 2 | A | 63.6 | Low | 66 | Low | 87 Ų | 87 | 116.5 Ų | 116.5 | 72% | 0.719 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.4 | -34.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | A5 A6 | A2-A5 PolarHBondContact O-N 3.01Å; A2-A6 PolarHBondContact O-N 2.85Å |
| 3 | A | 62.4 | Low | 64.9 | Low | 76 Ų | 76 | 120.5 Ų | 120.5 | 63% | 0.628 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.3 | -35.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 A6 L7 | M1-A3 PolarHBondContact O-N 3.34Å; A3-A6 PolarHBondContact O-N 3.12Å; A3-L7 PolarHBondContact O-N 2.91Å |
| 4 | A | 70.6 | Confident | 63.9 | Low | 69 Ų | 69 | 123.5 Ų | 123.5 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.6 | -34 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | M1 A6 L7 A8 | M1-A4 PolarHBondContact O-N 2.61Å; A4-A6 VanDerWaalsContact C-N 3.33Å; A4-A6 PolarHBondContact O-N 3Å; A4-L7 PolarHBondContact O-N 3.31Å; A4-A8 PolarHBondContact O-N 3.33Å; A4-A8 VanDerWaalsContact O-N 3.15Å |
| 5 | A | 71.4 | Confident | 62.3 | Low | 60 Ų | 60 | 123.9 Ų | 123.9 | 50% | 0.496 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -69.8 | -28.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A2 | A2-A5 PolarHBondContact O-N 3.01Å |
| 6 | A | 69.1 | Low | 61.2 | Low | 56 Ų | 56 | 130.8 Ų | 130.8 | 46% | 0.463 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -74 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2 A3 A4 R9 | A2-A6 PolarHBondContact O-N 2.85Å; A3-A6 PolarHBondContact O-N 3.12Å; A4-A6 VanDerWaalsContact C-N 3.33Å; A4-A6 PolarHBondContact O-N 3Å; A6-R9 PolarHBondContact O-N 2.73Å |
| 7 | L | 70.5 | Confident | 60.2 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 60% | 0.597 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -70.5 | -39.1 | 177.1 | -69.9 | 173.1 | 0 | 0 | 0 | 112.3 | A3 A4 R9 L10 E11 | A3-L7 PolarHBondContact O-N 2.91Å; A4-L7 PolarHBondContact O-N 3.31Å; L7-R9 PolarHBondContact O-N 3.13Å; L7-R9 VanDerWaalsContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 3.3Å; L7-E11 PolarHBondContact O-N 3.3Å; L7-E11 VanDerWaalsContact O-N 3.16Å |
| 8 | A | 72.8 | Confident | 59.2 | Low | 52 Ų | 52 | 135.3 Ų | 135.3 | 43% | 0.43 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -60.8 | -26.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A4 | A4-A8 PolarHBondContact O-N 3.33Å; A4-A8 VanDerWaalsContact O-N 3.15Å |
| 9 | R | 64.3 | Low | 58.8 | Low | 206 Ų | 206 | 130.8 Ų | 130.8 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -78.7 | -21.8 | 174.8 | -76.3 | -178.2 | 169.7 | 169.1 | -1.3 | 113.8 | A6 L7 | A6-R9 PolarHBondContact O-N 2.73Å; L7-R9 PolarHBondContact O-N 3.13Å; L7-R9 VanDerWaalsContact O-N 3.17Å |
| 10 | L | 61.3 | Low | 58.5 | Low | 116 Ų | 116 | 129.9 Ų | 129.9 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -85.1 | -36.2 | 176.4 | -85.2 | 158.9 | 0 | 0 | 0 | 111.7 | L7 K13 | L7-L10 PolarHBondContact O-N 3.3Å; L10-K13 PolarHBondContact O-N 3.38Å |
| 11 | E | 65 | Low | 58.4 | Low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -74.2 | -23.9 | -179.6 | -75.7 | -174.7 | 144.9 | 0 | 0 | 114.3 | L7 K13 | L7-E11 PolarHBondContact O-N 3.3Å; L7-E11 VanDerWaalsContact O-N 3.16Å; E11-K13 PolarHBondContact O-N 3.02Å |
| 12 | Q | 60.8 | Low | 58.8 | Low | 173 Ų | 173 | 121.3 Ų | 121.3 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -3.4 | 173.6 | -75 | -175 | -5.8 | 0 | 0 | 114.1 | Q14 | Q12-Q14 PolarHBondContact O-N 3.17Š|
| 13 | K | 52 | Low | 58.9 | Low | 168 Ų | 168 | 123.2 Ų | 123.2 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | trans | -79.7 | 64.4 | 170.6 | -77.2 | -177.2 | 172.3 | 179.4 | 0 | 111.3 | L10 E11 | L10-K13 PolarHBondContact O-N 3.38Å; E11-K13 PolarHBondContact O-N 3.02Å | ||
| 14 | Q | 50.3 | Low | 59.2 | Low | 163 Ų | 163 | 122.5 Ų | 122.5 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | trans | -76.4 | 146.9 | 155.8 | -87 | -171.7 | 1.1 | 0 | 0 | 110.1 | Q12 R16 | Q12-Q14 PolarHBondContact O-N 3.17Å; Q14-R16 PolarHBondContact O-N 3.19Å | ||
| 15 | P | 40.8 | Very low | 59.3 | Low | 129 Ų | 129 | 122.6 Ų | 122.6 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | trans | -76.2 | 88.5 | -166.5 | 31.7 | -33.4 | 0 | 0 | 0 | 110.1 | A17 | P15-A17 PolarHBondContact O-N 3.42Š| ||
| 16 | R | 43.8 | Very low | 59.4 | Low | 235 Ų | 235 | 124.7 Ų | 124.7 | 89% | 0.887 | 65% | 0.654 | S | S | * | * | trans | -67 | 118.9 | 164.2 | -72.8 | -173.2 | 175.4 | -175.7 | -1.1 | 107.7 | Q14 R18 | Q14-R16 PolarHBondContact O-N 3.19Å; R16-R18 PolarHBondContact O-N 2.91Å; R16-R18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | A | 44.4 | Very low | 59.7 | Low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 66% | 0.662 | S | S | * | * | trans | -37.9 | 119.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P15 G19 | P15-A17 PolarHBondContact O-N 3.42Å; A17-G19 VanDerWaalsContact C-N 3.34Å; A17-G19 PolarHBondContact O-N 3.19Å | ||
| 18 | R | 42.7 | Very low | 59.9 | Low | 244 Ų | 244 | 129.7 Ų | 129.7 | 92% | 0.921 | 66% | 0.661 | S | S | * | * | trans | -61 | 98.1 | 179.7 | -82 | -179.6 | 176.1 | 169.3 | -1 | 108 | R16 | R16-R18 PolarHBondContact O-N 2.91Å; R16-R18 VanDerWaalsContact O-N 3.14Å | ||
| 19 | G | 52 | Low | 60.3 | Low | 50 Ų | 50 | 132.7 Ų | 132.7 | 52% | 0.515 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 155 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | A17 T21 | A17-G19 VanDerWaalsContact C-N 3.34Å; A17-G19 PolarHBondContact O-N 3.19Å; G19-T21 PolarHBondContact O-N 2.94Å |
| 20 | P | 51.1 | Low | 60.9 | Low | 113 Ų | 113 | 126.4 Ų | 126.4 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 118.2 | -173.5 | 21.7 | -31.4 | 0 | 0 | 0 | 109.6 | D24 | P20-D24 HydrophobicContact CB-CB 4.24Š|
| 21 | T | 58 | Low | 61.7 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 52% | 0.515 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 149.4 | 178.3 | -4 | 0 | 0 | 0 | 0 | 109.2 | G19 Q23 D24 S25 | G19-T21 PolarHBondContact O-N 2.94Å; T21-Q23 PolarHBondContact O-N 3.11Å; T21-D24 WeakPolarHBondContact O-CB 3.42Å; T21-D24 PolarHBondContact O-N 3.07Å; T21-D24 PolarHBondContact OG1-OD2 3.37Å; T21-D24 VanDerWaalsContact OG1-OD2 3.07Å; T21-S25 PolarHBondContact O-N 3.4Å |
| 22 | S | 67.5 | Low | 62.3 | Low | 89 Ų | 89 | 128.6 Ų | 128.6 | 62% | 0.622 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -51.2 | -28.2 | 179.5 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | S25 I26 | S22-S25 PolarHBondContact O-N 3.2Å; S22-I26 WeakPolarHBondContact O-CD1 3.13Å; S22-I26 VanDerWaalsContact O-CG1 3.23Å; S22-I26 WeakPolarHBondContact O-CG1 3.39Å; S22-I26 PolarHBondContact O-N 3.39Å |
| 23 | Q | 67.3 | Low | 63.1 | Low | 126 Ų | 126 | 125.8 Ų | 125.8 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.4 | -36.9 | 171.8 | -82.3 | -169.7 | -13.8 | 0 | 0 | 114.3 | T21 I26 R27 | T21-Q23 PolarHBondContact O-N 3.11Å; Q23-I26 PolarHBondContact O-N 3.47Å; Q23-R27 WeakPolarHBondContact O-CB 2.93Å; Q23-R27 WeakPolarHBondContact O-CG 3.47Å; Q23-R27 PolarHBondContact O-N 3.31Å |
| 24 | D | 68.7 | Low | 64.2 | Low | 62 Ų | 62 | 123 Ų | 123 | 33% | 0.332 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.2 | -35.2 | 178 | -64.7 | -48.5 | 0 | 0 | 0 | 111.1 | P20 T21 R27 N28 | P20-D24 HydrophobicContact CB-CB 4.24Å; T21-D24 WeakPolarHBondContact O-CB 3.42Å; T21-D24 PolarHBondContact O-N 3.07Å; T21-D24 PolarHBondContact OG1-OD2 3.37Å; T21-D24 VanDerWaalsContact OG1-OD2 3.07Å; D24-R27 PolarHBondContact O-N 3.42Å; D24-N28 WeakPolarHBondContact O-CB 3.27Å; D24-N28 PolarHBondContact O-N 3.29Å; D24-N28 PolarHBondContact O-ND2 3.17Å |
| 25 | S | 71.6 | Confident | 65.3 | Low | 71 Ų | 71 | 120.9 Ų | 120.9 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.2 | -41.6 | 172.6 | -164.4 | 0 | 0 | 0 | 0 | 111.4 | T21 S22 N28 Q29 | T21-S25 PolarHBondContact O-N 3.4Å; S22-S25 PolarHBondContact O-N 3.2Å; S25-N28 PolarHBondContact O-N 3.38Å; S25-Q29 WeakPolarHBondContact O-CB 3.47Å; S25-Q29 PolarHBondContact O-N 3.1Å |
| 26 | I | 73.5 | Confident | 66.8 | Low | 103 Ų | 103 | 117 Ų | 117 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.9 | -45.3 | 177.6 | -66.9 | 161.1 | 0 | 0 | 0 | 110.4 | S22 Q23 N28 Q29 V30 | S22-I26 WeakPolarHBondContact O-CD1 3.13Å; S22-I26 VanDerWaalsContact O-CG1 3.23Å; S22-I26 WeakPolarHBondContact O-CG1 3.39Å; S22-I26 PolarHBondContact O-N 3.39Å; Q23-I26 PolarHBondContact O-N 3.47Å; I26-N28 PolarHBondContact O-N 2.94Å; I26-Q29 PolarHBondContact O-N 3.32Å; I26-V30 HydrophobicContact CG2-CG2 4.5Å; I26-V30 WeakPolarHBondContact O-CG2 3.41Å; I26-V30 PolarHBondContact O-N 3.38Å |
| 27 | R | 74.4 | Confident | 67.9 | Low | 168 Ų | 168 | 112.4 Ų | 112.4 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.3 | -40.9 | 177.6 | -77.4 | 176.4 | 176 | -179.6 | -0.4 | 112.5 | Q23 D24 R31 | Q23-R27 WeakPolarHBondContact O-CB 2.93Å; Q23-R27 WeakPolarHBondContact O-CG 3.47Å; Q23-R27 PolarHBondContact O-N 3.31Å; D24-R27 PolarHBondContact O-N 3.42Å; R27-R31 WeakPolarHBondContact O-CB 3.43Å; R27-R31 PolarHBondContact O-N 3.41Å |
| 28 | N | 76.4 | Confident | 68.8 | Low | 108 Ų | 108 | 110.5 Ų | 110.5 | 58% | 0.578 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.4 | -35.9 | 177.5 | -78 | -22 | 0 | 0 | 0 | 112.1 | D24 S25 I26 R31 K32 | D24-N28 WeakPolarHBondContact O-CB 3.27Å; D24-N28 PolarHBondContact O-N 3.29Å; D24-N28 PolarHBondContact O-ND2 3.17Å; S25-N28 PolarHBondContact O-N 3.38Å; I26-N28 PolarHBondContact O-N 2.94Å; N28-R31 PolarHBondContact O-N 3.28Å; N28-K32 VanDerWaalsContact O-CB 3.28Å; N28-K32 WeakPolarHBondContact O-CB 3.42Å; N28-K32 PolarHBondContact O-N 3.11Å |
| 29 | Q | 79.6 | Confident | 69.6 | Low | 115 Ų | 115 | 103.9 Ų | 103.9 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.9 | -46 | 177.2 | -163.9 | 156.6 | -2.7 | 0 | 0 | 111.5 | S25 I26 R31 K32 E33 | S25-Q29 WeakPolarHBondContact O-CB 3.47Å; S25-Q29 PolarHBondContact O-N 3.1Å; I26-Q29 PolarHBondContact O-N 3.32Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.78Å; Q29-K32 PolarHBondContact O-N 3.26Å; Q29-K32 VanDerWaalsContact O-N 3.17Å; Q29-E33 WeakPolarHBondContact O-CG 3.14Å; Q29-E33 PolarHBondContact O-N 2.88Å |
| 30 | V | 78.8 | Confident | 69.8 | Low | 73 Ų | 73 | 106.4 Ų | 106.4 | 44% | 0.442 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.7 | -41.6 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | I26 K32 E33 L34 | I26-V30 HydrophobicContact CG2-CG2 4.5Å; I26-V30 WeakPolarHBondContact O-CG2 3.41Å; I26-V30 PolarHBondContact O-N 3.38Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3.37Å; V30-E33 PolarHBondContact O-N 3.02Å; V30-L34 HydrophobicContact CG1-CD1 4.06Å; V30-L34 WeakPolarHBondContact O-CB 3.45Å; V30-L34 WeakPolarHBondContact O-CG 3.47Å; V30-L34 PolarHBondContact O-N 3.35Å |
| 31 | R | 76.7 | Confident | 69.8 | Low | 167 Ų | 167 | 105.3 Ų | 105.3 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.2 | -36.7 | 177.3 | -170.8 | 176.4 | -176.3 | 167.6 | 2.6 | 112.2 | R27 N28 Q29 Q35 | R27-R31 WeakPolarHBondContact O-CB 3.43Å; R27-R31 PolarHBondContact O-N 3.41Å; N28-R31 PolarHBondContact O-N 3.28Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.78Å; R31-Q35 WeakPolarHBondContact O-CB 3.42Å; R31-Q35 WeakPolarHBondContact O-CG 3.35Å; R31-Q35 PolarHBondContact O-N 2.74Å |
| 32 | K | 78.3 | Confident | 69.1 | Low | 162 Ų | 162 | 107.6 Ų | 107.6 | 70% | 0.704 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.5 | -37.6 | 179.1 | -165.6 | 176.2 | -178.4 | -177 | 0 | 111.7 | N28 Q29 V30 A36 | N28-K32 VanDerWaalsContact O-CB 3.28Å; N28-K32 WeakPolarHBondContact O-CB 3.42Å; N28-K32 PolarHBondContact O-N 3.11Å; Q29-K32 PolarHBondContact O-N 3.26Å; Q29-K32 VanDerWaalsContact O-N 3.17Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3.37Å; K32-A36 WeakPolarHBondContact O-CB 3.48Å; K32-A36 PolarHBondContact O-N 3.32Å |
| 33 | E | 78.2 | Confident | 67.9 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.2 | -46.5 | 174.3 | -73.9 | 172.5 | -176.7 | 0 | 0 | 111.7 | Q29 V30 Q35 A36 E37 | Q29-E33 WeakPolarHBondContact O-CG 3.14Å; Q29-E33 PolarHBondContact O-N 2.88Å; V30-E33 PolarHBondContact O-N 3.02Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 2.59Å; E33-A36 PolarHBondContact O-N 3.03Å; E33-A36 VanDerWaalsContact O-N 3.13Å; E33-E37 PolarHBondContact O-N 3.42Å |
| 34 | L | 74.5 | Confident | 66.4 | Low | 109 Ų | 109 | 110.7 Ų | 110.7 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62 | -36.2 | 175.7 | -74.4 | 171.2 | 0 | 0 | 0 | 113.2 | V30 A38 | V30-L34 HydrophobicContact CG1-CD1 4.06Å; V30-L34 WeakPolarHBondContact O-CB 3.45Å; V30-L34 WeakPolarHBondContact O-CG 3.47Å; V30-L34 PolarHBondContact O-N 3.35Å; L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 3.18Å |
| 35 | Q | 73.4 | Confident | 64.6 | Low | 119 Ų | 119 | 111.3 Ų | 111.3 | 56% | 0.556 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.5 | -39.3 | 174 | -82 | -176.2 | -23.1 | 0 | 0 | 111.8 | R31 E33 A38 T39 | R31-Q35 WeakPolarHBondContact O-CB 3.42Å; R31-Q35 WeakPolarHBondContact O-CG 3.35Å; R31-Q35 PolarHBondContact O-N 2.74Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 2.59Å; Q35-A38 PolarHBondContact O-N 2.87Å; Q35-T39 PolarHBondContact O-N 3.33Å; Q35-T39 PolarHBondContact O-OG1 3.33Å |
| 36 | A | 72.6 | Confident | 63.1 | Low | 48 Ų | 48 | 112.3 Ų | 112.3 | 40% | 0.397 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.4 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K32 E33 A38 T39 S40 | K32-A36 WeakPolarHBondContact O-CB 3.48Å; K32-A36 PolarHBondContact O-N 3.32Å; E33-A36 PolarHBondContact O-N 3.03Å; E33-A36 VanDerWaalsContact O-N 3.13Å; A36-A38 VanDerWaalsContact C-N 3.34Å; A36-T39 PolarHBondContact O-N 2.78Å; A36-S40 VanDerWaalsContact O-CB 3.3Å; A36-S40 WeakPolarHBondContact O-CB 3.34Å; A36-S40 PolarHBondContact O-N 3.08Å; A36-S40 PolarHBondContact O-OG 3.18Å |
| 37 | E | 66.7 | Low | 61.3 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.6 | -35.3 | 174 | -71.7 | -176.4 | 167.5 | 0 | 0 | 112.5 | E33 S41 | E33-E37 PolarHBondContact O-N 3.42Å; E37-S41 PolarHBondContact O-N 3.14Å; E37-S41 PolarHBondContact O-OG 2.81Å |
| 38 | A | 63.2 | Low | 59.4 | Low | 59 Ų | 59 | 109 Ų | 109 | 49% | 0.488 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.1 | -29 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L34 Q35 A36 S41 | L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 3.18Å; Q35-A38 PolarHBondContact O-N 2.87Å; A36-A38 VanDerWaalsContact C-N 3.34Å; A38-S41 PolarHBondContact O-OG 3.42Å |
| 39 | T | 59.3 | Low | 57.3 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 64% | 0.638 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -87.1 | -28.9 | 173.7 | 26.6 | 0 | 0 | 0 | 0 | 113.4 | Q35 A36 S41 N42 | Q35-T39 PolarHBondContact O-N 3.33Å; Q35-T39 PolarHBondContact O-OG1 3.33Å; A36-T39 PolarHBondContact O-N 2.78Å; T39-S41 PolarHBondContact O-N 3.03Å; T39-N42 PolarHBondContact O-N 3.07Å |
| 40 | S | 56.5 | Low | 55 | Low | 104 Ų | 104 | 112.1 Ų | 112.1 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.3 | -15.7 | 175 | -74 | 0 | 0 | 0 | 0 | 113.8 | A36 N42 | A36-S40 VanDerWaalsContact O-CB 3.3Å; A36-S40 WeakPolarHBondContact O-CB 3.34Å; A36-S40 PolarHBondContact O-N 3.08Å; A36-S40 PolarHBondContact O-OG 3.18Å; S40-N42 VanDerWaalsContact C-N 3.33Å |
| 41 | S | 51.1 | Low | 52.8 | Low | 89 Ų | 89 | 114 Ų | 114 | 62% | 0.622 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 3.2 | 174.8 | 37.1 | 0 | 0 | 0 | 0 | 114 | E37 A38 T39 | E37-S41 PolarHBondContact O-N 3.14Å; E37-S41 PolarHBondContact O-OG 2.81Å; A38-S41 PolarHBondContact O-OG 3.42Å; T39-S41 PolarHBondContact O-N 3.03Å |
| 42 | N | 42.6 | Very low | 50.9 | Low | 133 Ų | 133 | 112.1 Ų | 112.1 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | -125.1 | 39.3 | -171.5 | -103.4 | -10.9 | 0 | 0 | 0 | 114.5 | T39 S40 P44 | T39-N42 PolarHBondContact O-N 3.07Å; S40-N42 VanDerWaalsContact C-N 3.33Å; N42-P44 WeakPolarHBondContact O-CD 3.46Å | ||
| 43 | N | 42.4 | Very low | 48.6 | Very low | 155 Ų | 155 | 109.8 Ų | 109.8 | 83% | 0.829 | 69% | 0.692 | S | S | * | * | trans | -107.7 | 108.3 | 176.3 | -135.7 | 12.6 | 0 | 0 | 0 | 111.8 | ||||
| 44 | P | 35.4 | Very low | 46.3 | Very low | 124 Ų | 124 | 112.3 Ų | 112.3 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | trans | -88.1 | 104.5 | 174.7 | 33 | -26.5 | 0 | 0 | 0 | 109.3 | N42 | N42-P44 WeakPolarHBondContact O-CD 3.46Š| ||
| 45 | G | 32.3 | Very low | 44.2 | Very low | 76 Ų | 76 | 112.8 Ų | 112.8 | 78% | 0.784 | 71% | 0.713 | S | S | * | * | trans | 155.3 | 94.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 46 | A | 39.9 | Very low | 42 | Very low | 92 Ų | 92 | 116 Ų | 116 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | trans | -174.3 | 130.2 | 138.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | G48 | A46-G48 PolarHBondContact O-N 3.47Å; A46-G48 VanDerWaalsContact O-N 3.08Å | ||
| 47 | P | 34.8 | Very low | 40.5 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 93% | 0.929 | 74% | 0.744 | S | S | * | * | trans | -81.1 | 90.5 | 176.2 | 32.6 | -28.5 | 0 | 0 | 0 | 108.5 | ||||
| 48 | G | 35.4 | Very low | 38.8 | Very low | 58 Ų | 58 | 123.5 Ų | 123.5 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | -125.9 | 106.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | A46 N50 | A46-G48 PolarHBondContact O-N 3.47Å; A46-G48 VanDerWaalsContact O-N 3.08Å; G48-N50 VanDerWaalsContact C-N 3.3Å; G48-N50 PolarHBondContact O-N 2.92Å | ||
| 49 | T | 31.2 | Very low | 38 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | trans | -53 | 89 | 172.9 | -56 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 50 | N | 32.8 | Very low | 37.6 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -131.7 | 87 | 163.6 | -86.7 | -26.8 | 0 | 0 | 0 | 106.3 | G48 V52 | G48-N50 VanDerWaalsContact C-N 3.3Å; G48-N50 PolarHBondContact O-N 2.92Å; N50-V52 VanDerWaalsContact C-N 3.27Å; N50-V52 PolarHBondContact O-N 3.5Å | ||
| 51 | S | 31.7 | Very low | 37.5 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -59.9 | 94.7 | 163.9 | 51.3 | 0 | 0 | 0 | 0 | 107.8 | P53 | S51-P53 WeakPolarHBondContact O-CD 3.43Š| ||
| 52 | V | 36 | Very low | 37.9 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -56.6 | 117.8 | 157.5 | 175.7 | 0 | 0 | 0 | 0 | 104.2 | N50 E54 | N50-V52 VanDerWaalsContact C-N 3.27Å; N50-V52 PolarHBondContact O-N 3.5Å; V52-E54 PolarHBondContact O-N 3.41Å | ||
| 53 | P | 31 | Very low | 39.1 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | trans | -62.7 | 114.6 | 172.8 | -5.3 | 19.5 | 0 | 0 | 0 | 105.1 | S51 | S51-P53 WeakPolarHBondContact O-CD 3.43Š| ||
| 54 | E | 28.7 | Very low | 40.3 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -45.6 | 136.2 | 156.6 | -79.8 | -178.2 | 143.5 | 0 | 0 | 106.5 | V52 K56 | V52-E54 PolarHBondContact O-N 3.41Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 2.9Å | ||
| 55 | P | 30.7 | Very low | 42.3 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | trans | -59 | 104.7 | 172.3 | 26.1 | -29.3 | 0 | 0 | 0 | 105.1 | E57 | P55-E57 PolarHBondContact O-N 2.83Š| ||
| 56 | K | 28.2 | Very low | 44.5 | Very low | 187 Ų | 187 | 118.7 Ų | 118.7 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | trans | -57.4 | 103.4 | 164.5 | -72.7 | 178.9 | 178.5 | 178.5 | 0 | 103 | E54 E58 | E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 2.9Å; K56-E58 PolarHBondContact O-N 3.02Å | ||
| 57 | E | 40.1 | Very low | 46.6 | Very low | 169 Ų | 169 | 115.8 Ų | 115.8 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | trans | -60.1 | 91.7 | 165.5 | -73.9 | -173 | 162.7 | 0 | 0 | 104.5 | P55 I59 | P55-E57 PolarHBondContact O-N 2.83Å; E57-I59 HydrophobicContact CB-CG1 4.47Å; E57-I59 PolarHBondContact O-N 2.85Å | ||
| 58 | E | 32.4 | Very low | 49.2 | Very low | 175 Ų | 175 | 111.1 Ų | 111.1 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | trans | -65.5 | 81.2 | 166 | -77.5 | -176.4 | 166.6 | 0 | 0 | 105.5 | K56 S60 | K56-E58 PolarHBondContact O-N 3.02Å; E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.02Å | ||
| 59 | I | 44.9 | Very low | 51.9 | Low | 121 Ų | 121 | 109.9 Ų | 109.9 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | trans | -58.4 | 103.2 | 167.4 | -60.1 | 167.3 | 0 | 0 | 0 | 104 | E57 L63 | E57-I59 HydrophobicContact CB-CG1 4.47Å; E57-I59 PolarHBondContact O-N 2.85Å; I59-L63 HydrophobicContact CG2-CD2 4.06Å | ||
| 60 | S | 51.8 | Low | 54.8 | Low | 78 Ų | 78 | 103.1 Ų | 103.1 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | trans | -53.1 | 130.1 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 108 | E58 H62 | E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.02Å; S60-H62 PolarHBondContact O-N 2.83Å | ||
| 61 | P | 54.3 | Low | 57.7 | Low | 120 Ų | 120 | 98.7 Ų | 98.7 | 78% | 0.779 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -62.4 | -15.8 | -178.6 | 23.5 | -32.4 | 0 | 0 | 0 | 112.4 | L63 | P61-L63 PolarHBondContact O-N 3.04Š|
| 62 | H | 58.7 | Low | 60.5 | Low | 160 Ų | 160 | 93.3 Ų | 93.3 | 74% | 0.741 | 52% | 0.515 | S | S | * | . | trans | -95.8 | 65.8 | 178.8 | -55.8 | -71.7 | 0 | 0 | 0 | 111.8 | S60 A64 | S60-H62 PolarHBondContact O-N 2.83Å; H62-A64 PolarHBondContact O-N 3.45Å | ||
| 63 | L | 68 | Low | 63.1 | Low | 112 Ų | 112 | 90.8 Ų | 90.8 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | trans | -65.9 | 128.9 | 172.9 | -65.7 | 174.7 | 0 | 0 | 0 | 110.3 | I59 P61 V65 | I59-L63 HydrophobicContact CG2-CD2 4.06Å; P61-L63 PolarHBondContact O-N 3.04Å; L63-V65 PolarHBondContact O-N 3.38Å | ||
| 64 | A | 68.8 | Low | 65.8 | Low | 53 Ų | 53 | 88.3 Ų | 88.3 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -63.6 | -24 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H62 L285 Q297 | H62-A64 PolarHBondContact O-N 3.45Å; A64-L285 HydrophobicContact CB-CD2 3.83Å; A64-Q297 PolarHBondContact O-NE2 3.34Å |
| 65 | V | 76.6 | Confident | 68.7 | Low | 25 Ų | 25 | 83.5 Ų | 83.5 | 15% | 0.152 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -145.2 | 139.8 | 174.7 | -169.6 | 0 | 0 | 0 | 0 | 107.9 | L63 G67 Q220 L285 | L63-V65 PolarHBondContact O-N 3.38Å; V65-G67 WeakPolarHBondContact CG1-O 3.49Å; V65-G67 PolarHBondContact O-N 3.12Å; V65-G67 VanDerWaalsContact O-N 3.14Å; V65-Q220 VanDerWaalsContact CG1-OE1 3.32Å; V65-L285 HydrophobicContact CG2-CD1 3.53Å; V65-L285 HydrophobicContact CG2-CD2 3.94Å; V65-L285 HydrophobicContact CG2-CG 4.38Å |
| 66 | P | 79 | Confident | 71.5 | Confident | 74 Ų | 74 | 80.4 Ų | 80.4 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -66 | -12.5 | 179.3 | 25 | -35.1 | 0 | 0 | 0 | 114.4 | F69 | P66-F69 HydrophobicContact CG-CE2 4.1Å; P66-F69 HydrophobicContact CG-CZ 4.39Å |
| 67 | G | 84.6 | Confident | 74.5 | Confident | 30 Ų | 30 | 74.5 Ų | 74.5 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | trans | 161.5 | -173 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V65 F69 Q220 | V65-G67 WeakPolarHBondContact CG1-O 3.49Å; V65-G67 PolarHBondContact O-N 3.12Å; V65-G67 VanDerWaalsContact O-N 3.14Å; G67-F69 WeakPolarHBondContact O-CD2 3.49Å; G67-Q220 PolarHBondContact O-OE1 3.27Å | ||
| 68 | V | 88.5 | Confident | 76.9 | Confident | 45 Ų | 45 | 69.7 Ų | 69.7 | 27% | 0.273 | 41% | 0.414 | S | S | . | . | trans | -106.9 | 126.6 | 174 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | F70 L217 Y283 | V68-F70 HydrophobicContact CB-CE2 4.5Å; V68-F70 HydrophobicContact CG1-CE2 3.8Å; V68-F70 HydrophobicContact CG1-CZ 3.74Å; V68-L217 HydrophobicContact CG1-CD1 3.52Å; V68-Y283 HydrophobicContact CG1-CD1 3.95Å; V68-Y283 HydrophobicContact CG1-CD2 4.39Å; V68-Y283 HydrophobicContact CG1-CE1 3.71Å; V68-Y283 HydrophobicContact CG1-CE2 4.19Å; V68-Y283 HydrophobicContact CG1-CG 4.29Å; V68-Y283 HydrophobicContact CG2-CD2 3.94Å; V68-Y283 HydrophobicContact CG2-CE2 4.23Å; V68-Y283 HydrophobicContact CG2-CG 4.19Å | ||
| 69 | F | 92 | Very high | 79.7 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 160.5 | -174.3 | -60.2 | -101.5 | 0 | 0 | 0 | 111.4 | P66 G67 T78 L79 R80 L217 D218 Q220 | P66-F69 HydrophobicContact CG-CE2 4.1Å; P66-F69 HydrophobicContact CG-CZ 4.39Å; G67-F69 WeakPolarHBondContact O-CD2 3.49Å; F69-T78 HydrophobicContact CB-CG2 3.52Å; F69-T78 HydrophobicContact CD1-CG2 3.92Å; F69-T78 HydrophobicContact CG-CG2 4.04Å; F69-L79 CarbonylContact C-O 3.45Å; F69-L79 WeakPolarHBondContact CA-O 3.4Å; F69-R80 HydrophobicContact CD1-CG 4.17Å; F69-R80 HydrophobicContact CE1-CG 4Å; F69-L217 WeakPolarHBondContact O-CD1 3.17Å; F69-D218 HydrophobicContact CB-CB 4.01Å; F69-D218 WeakPolarHBondContact O-CB 3.38Å; F69-D218 PolarHBondContact O-N 3.05Å; F69-Q220 HydrophobicContact CD2-CG 4.41Å |
| 70 | F | 92.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 142.9 | -174.6 | -59.2 | -96.1 | 0 | 0 | 0 | 110.3 | V68 T78 L79 R81 R84 A215 T216 L217 Y283 Y301 | V68-F70 HydrophobicContact CB-CE2 4.5Å; V68-F70 HydrophobicContact CG1-CE2 3.8Å; V68-F70 HydrophobicContact CG1-CZ 3.74Å; F70-T78 CarbonylContact O-C 3.53Å; F70-T78 WeakPolarHBondContact O-CA 3.43Å; F70-L79 PolarHBondContact N-O 3.01Å; F70-L79 PolarHBondContact O-N 2.94Å; F70-R81 HydrophobicContact CE2-CB 4.04Å; F70-R84 HydrophobicContact CB-CG 4.09Å; F70-R84 VanDerWaalsContact CD1-NH1 3.35Å; F70-R84 HydrophobicContact CD2-CG 4.14Å; F70-R84 HydrophobicContact CG-CG 4.22Å; F70-A215 HydrophobicContact CB-CB 3.86Å; F70-T216 CarbonylContact C-O 3.55Å; F70-T216 WeakPolarHBondContact CA-O 3.45Å; F70-T216 VanDerWaalsContact CB-O 3.3Å; F70-T216 WeakPolarHBondContact CB-O 3.43Å; F70-L217 HydrophobicContact CD1-CB 4.44Å; F70-L217 HydrophobicContact CD1-CD1 4.16Å; F70-L217 HydrophobicContact CE1-CB 4.44Å; F70-L217 HydrophobicContact CE1-CD1 3.69Å; F70-L217 HydrophobicContact CZ-CD1 4Å; F70-Y283 HydrophobicContact CZ-CE1 4.11Å; F70-Y283 WeakPolarHBondContact CZ-OH 3.23Å; F70-Y301 HydrophobicContact CE1-CE1 4.49Å; F70-Y301 WeakPolarHBondContact CE1-OH 3.3Å |
| 71 | I | 92.7 | Very high | 83.6 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.5 | 180 | -57 | 174.7 | 0 | 0 | 0 | 108.5 | A215 T216 D218 | I71-A215 CarbonylContact O-C 3.48Å; I71-A215 VanDerWaalsContact O-CA 3.3Å; I71-A215 WeakPolarHBondContact O-CA 3.36Å; I71-T216 PolarHBondContact N-O 3.18Å; I71-T216 PolarHBondContact O-N 3.47Å; I71-T216 PolarHBondContact O-OG1 3.26Å; I71-D218 HydrophobicContact CD1-CB 4.15Å; I71-D218 HydrophobicContact CG1-CB 3.84Å |
| 72 | C | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -74.6 | 122.1 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | L74 T75 G76 V77 L79 | C72-L74 PolarHBondContact O-N 2.82Å; C72-T75 WeakPolarHBondContact CB-OG1 3.49Å; C72-T75 PolarHBondContact O-N 3.48Å; C72-G76 WeakPolarHBondContact O-CA 3.46Å; C72-G76 PolarHBondContact O-N 3.07Å; C72-V77 PolarHBondContact N-O 2.87Å; C72-L79 HydrophobicContact CB-CD1 3.98Å | ||
| 73 | P | 89.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 63.6 Ų | 63.6 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -23.1 | -178.7 | 27.6 | -37 | 0 | 0 | 0 | 113.4 | V213 | P73-V213 HydrophobicContact CG-CG1 3.6Š|
| 74 | L | 88.2 | Confident | 87.8 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -35.4 | -178.9 | -61.6 | 178.2 | 0 | 0 | 0 | 113.1 | C72 A91 I92 M106 V213 | C72-L74 PolarHBondContact O-N 2.82Å; L74-A91 HydrophobicContact CB-CB 4.14Å; L74-A91 HydrophobicContact CD1-CB 3.96Å; L74-I92 HydrophobicContact CD1-CG1 3.68Å; L74-M106 HydrophobicContact CD1-SD 4.06Å; L74-M106 HydrophobicContact CD2-CE 4.47Å; L74-M106 HydrophobicContact CD2-SD 3.7Å; L74-V213 HydrophobicContact CD1-CG1 4.03Å; L74-V213 HydrophobicContact CG-CG1 3.99Å |
| 75 | T | 89.3 | Confident | 88.8 | Confident | 66 Ų | 66 | 62.6 Ų | 62.6 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -12.5 | -173.2 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | C72 V77 H87 A91 | C72-T75 WeakPolarHBondContact CB-OG1 3.49Å; C72-T75 PolarHBondContact O-N 3.48Å; T75-V77 PolarHBondContact O-N 3.33Å; T75-V77 WeakPolarHBondContact OG1-CG2 3.49Å; T75-V77 PolarHBondContact OG1-N 3.13Å; T75-H87 PolarHBondContact OG1-NE2 3.15Å; T75-A91 HydrophobicContact CG2-CB 3.75Å |
| 76 | G | 89.6 | Confident | 89.6 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 54% | 0.536 | 36% | 0.355 | S | S | . | . | trans | 69.2 | 4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | C72 | C72-G76 WeakPolarHBondContact O-CA 3.46Å; C72-G76 PolarHBondContact O-N 3.07Å | ||
| 77 | V | 91.1 | Very high | 90.2 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | trans | -77.3 | 135.5 | -175.9 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | C72 T75 L79 | C72-V77 PolarHBondContact N-O 2.87Å; T75-V77 PolarHBondContact O-N 3.33Å; T75-V77 WeakPolarHBondContact OG1-CG2 3.49Å; T75-V77 PolarHBondContact OG1-N 3.13Å; V77-L79 HydrophobicContact CG1-CD2 3.83Å; V77-L79 HydrophobicContact CG1-CG 4.29Å | ||
| 78 | T | 91.3 | Very high | 90.6 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.2 | 172.4 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | F69 F70 D218 | F69-T78 HydrophobicContact CB-CG2 3.52Å; F69-T78 HydrophobicContact CD1-CG2 3.92Å; F69-T78 HydrophobicContact CG-CG2 4.04Å; F70-T78 CarbonylContact O-C 3.53Å; F70-T78 WeakPolarHBondContact O-CA 3.43Å; T78-D218 HydrophobicContact CG2-CB 4.48Å; T78-D218 VanDerWaalsContact CG2-OD2 3.28Å; T78-D218 WeakPolarHBondContact CG2-OD2 3.45Å |
| 79 | L | 90.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.2 | -169.3 | -59.5 | 167 | 0 | 0 | 0 | 111.2 | F69 F70 C72 V77 Q83 R84 H87 | F69-L79 CarbonylContact C-O 3.45Å; F69-L79 WeakPolarHBondContact CA-O 3.4Å; F70-L79 PolarHBondContact N-O 3.01Å; F70-L79 PolarHBondContact O-N 2.94Å; C72-L79 HydrophobicContact CB-CD1 3.98Å; V77-L79 HydrophobicContact CG1-CD2 3.83Å; V77-L79 HydrophobicContact CG1-CG 4.29Å; L79-Q83 HydrophobicContact CD2-CB 4.49Å; L79-R84 HydrophobicContact CB-CG 4.33Å; L79-H87 HydrophobicContact CD1-CB 3.58Å; L79-H87 HydrophobicContact CD2-CB 3.97Å; L79-H87 HydrophobicContact CG-CB 4.44Å |
| 80 | R | 91.5 | Very high | 90.9 | Very high | 138 Ų | 138 | 68.7 Ų | 68.7 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 160.2 | 166.9 | -66.6 | -174.9 | 174.8 | -171.2 | -1 | 111 | F69 D82 Q83 R84 | F69-R80 HydrophobicContact CD1-CG 4.17Å; F69-R80 HydrophobicContact CE1-CG 4Å; R80-D82 VanDerWaalsContact C-N 3.26Å; R80-D82 WeakPolarHBondContact CB-OD1 3.35Å; R80-D82 PolarHBondContact O-N 2.63Å; R80-Q83 PolarHBondContact O-N 2.64Å; R80-R84 WeakPolarHBondContact O-CG 3.42Å; R80-R84 PolarHBondContact O-N 2.86Å |
| 81 | R | 87.5 | Confident | 90.9 | Very high | 163 Ų | 163 | 69.3 Ų | 69.3 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -40.9 | -175.3 | -175.4 | 179.4 | 176.4 | -176 | -0.6 | 113.8 | F70 Q83 R84 | F70-R81 HydrophobicContact CE2-CB 4.04Å; R81-Q83 VanDerWaalsContact C-N 3.35Å; R81-R84 PolarHBondContact O-NE 3.47Å |
| 82 | D | 89.2 | Confident | 90.8 | Very high | 122 Ų | 122 | 66.7 Ų | 66.7 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -29.8 | 179.6 | 54.8 | -53.4 | 0 | 0 | 0 | 113.3 | R80 | R80-D82 VanDerWaalsContact C-N 3.26Å; R80-D82 WeakPolarHBondContact CB-OD1 3.35Å; R80-D82 PolarHBondContact O-N 2.63Å |
| 83 | Q | 91.1 | Very high | 90.9 | Very high | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -20 | -174.9 | -64 | 169.2 | -6.9 | 0 | 0 | 113.3 | L79 R80 R81 D85 A86 H87 | L79-Q83 HydrophobicContact CD2-CB 4.49Å; R80-Q83 PolarHBondContact O-N 2.64Å; R81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-D85 PolarHBondContact O-N 2.97Å; Q83-A86 PolarHBondContact O-N 3.14Å; Q83-H87 WeakPolarHBondContact O-CB 3.31Å; Q83-H87 PolarHBondContact O-N 2.85Å |
| 84 | R | 89.7 | Confident | 91 | Very high | 52 Ų | 52 | 71.4 Ų | 71.4 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.9 | -51.4 | -170.6 | -50.9 | 179.3 | -51 | 179.5 | 12.2 | 113.1 | F70 L79 R80 R81 H87 I88 A215 | F70-R84 HydrophobicContact CB-CG 4.09Å; F70-R84 VanDerWaalsContact CD1-NH1 3.35Å; F70-R84 HydrophobicContact CD2-CG 4.14Å; F70-R84 HydrophobicContact CG-CG 4.22Å; L79-R84 HydrophobicContact CB-CG 4.33Å; R80-R84 WeakPolarHBondContact O-CG 3.42Å; R80-R84 PolarHBondContact O-N 2.86Å; R81-R84 PolarHBondContact O-NE 3.47Å; R84-H87 PolarHBondContact O-N 3.27Å; R84-I88 WeakPolarHBondContact O-CB 3.43Å; R84-I88 WeakPolarHBondContact O-CG1 3.32Å; R84-I88 PolarHBondContact O-N 2.88Å; R84-A215 HydrophobicContact CB-CB 4.39Å; R84-A215 HydrophobicContact CG-CB 4.48Å |
| 85 | D | 89.6 | Confident | 91.2 | Very high | 93 Ų | 93 | 71.3 Ų | 71.3 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | -173.2 | -67.1 | -3.8 | 0 | 0 | 0 | 109.4 | Q83 H87 I88 K89 | Q83-D85 PolarHBondContact O-N 2.97Å; D85-H87 PolarHBondContact O-N 3.17Å; D85-I88 PolarHBondContact O-N 3.37Å; D85-K89 VanDerWaalsContact O-CG 3.25Å; D85-K89 WeakPolarHBondContact O-CG 3.46Å; D85-K89 PolarHBondContact O-N 2.98Å |
| 86 | A | 92.5 | Very high | 91.4 | Very high | 57 Ų | 57 | 70.3 Ų | 70.3 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q83 K89 Q90 | Q83-A86 PolarHBondContact O-N 3.14Å; A86-K89 WeakPolarHBondContact O-CB 3.26Å; A86-K89 PolarHBondContact O-N 3.2Å; A86-Q90 WeakPolarHBondContact O-CG 3.31Å; A86-Q90 PolarHBondContact O-N 2.91Å |
| 87 | H | 92.7 | Very high | 91.5 | Very high | 40 Ų | 40 | 72.8 Ų | 72.8 | 19% | 0.185 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 179.7 | -171.7 | 88.7 | 0 | 0 | 0 | 112.4 | T75 L79 Q83 R84 D85 K89 Q90 A91 | T75-H87 PolarHBondContact OG1-NE2 3.15Å; L79-H87 HydrophobicContact CD1-CB 3.58Å; L79-H87 HydrophobicContact CD2-CB 3.97Å; L79-H87 HydrophobicContact CG-CB 4.44Å; Q83-H87 WeakPolarHBondContact O-CB 3.31Å; Q83-H87 PolarHBondContact O-N 2.85Å; R84-H87 PolarHBondContact O-N 3.27Å; D85-H87 PolarHBondContact O-N 3.17Å; H87-K89 VanDerWaalsContact C-N 3.29Å; H87-K89 PolarHBondContact O-N 3.49Å; H87-Q90 PolarHBondContact O-N 2.97Å; H87-A91 WeakPolarHBondContact O-CB 3.47Å; H87-A91 PolarHBondContact O-N 3.22Å |
| 88 | I | 91.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.7 | -69.5 | 166.8 | 0 | 0 | 0 | 110.1 | R84 D85 Q90 A91 I92 T110 V213 A215 | R84-I88 WeakPolarHBondContact O-CB 3.43Å; R84-I88 WeakPolarHBondContact O-CG1 3.32Å; R84-I88 PolarHBondContact O-N 2.88Å; D85-I88 PolarHBondContact O-N 3.37Å; I88-Q90 PolarHBondContact O-N 3.11Å; I88-A91 PolarHBondContact O-N 3.35Å; I88-I92 HydrophobicContact CG2-CD1 3.8Å; I88-I92 HydrophobicContact CG2-CG1 4.44Å; I88-I92 WeakPolarHBondContact O-CG1 2.99Å; I88-I92 PolarHBondContact O-N 3.2Å; I88-T110 HydrophobicContact CG2-CG2 3.81Å; I88-V213 HydrophobicContact CG2-CB 4.3Å; I88-V213 HydrophobicContact CG2-CG1 4.1Å; I88-A215 HydrophobicContact CD1-CB 4.03Å |
| 89 | K | 92.6 | Very high | 91.7 | Very high | 96 Ų | 96 | 74.6 Ų | 74.6 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 175.7 | -68.2 | -167.4 | 177.7 | -166.7 | 0 | 111.5 | D85 A86 H87 I92 L93 F111 | D85-K89 VanDerWaalsContact O-CG 3.25Å; D85-K89 WeakPolarHBondContact O-CG 3.46Å; D85-K89 PolarHBondContact O-N 2.98Å; A86-K89 WeakPolarHBondContact O-CB 3.26Å; A86-K89 PolarHBondContact O-N 3.2Å; H87-K89 VanDerWaalsContact C-N 3.29Å; H87-K89 PolarHBondContact O-N 3.49Å; K89-I92 PolarHBondContact O-N 3.45Å; K89-L93 VanDerWaalsContact O-CG 3.29Å; K89-L93 WeakPolarHBondContact O-CG 3.26Å; K89-L93 PolarHBondContact O-N 2.82Å; K89-F111 HydrophobicContact CB-CE1 3.88Å; K89-F111 HydrophobicContact CB-CE2 4.39Å; K89-F111 HydrophobicContact CB-CZ 3.58Å; K89-F111 HydrophobicContact CD-CE1 4.3Å; K89-F111 HydrophobicContact CD-CE2 4.28Å; K89-F111 HydrophobicContact CD-CZ 4.12Å; K89-F111 HydrophobicContact CG-CD1 4.03Å; K89-F111 HydrophobicContact CG-CE1 3.43Å; K89-F111 VanDerWaalsContact CG-CE1 3.43Å; K89-F111 HydrophobicContact CG-CE2 4.15Å; K89-F111 HydrophobicContact CG-CZ 3.5Å; K89-F111 VanDerWaalsContact CG-CZ 3.5Å |
| 90 | Q | 94 | Very high | 91.9 | Very high | 131 Ų | 131 | 77.1 Ų | 77.1 | 61% | 0.612 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 178.3 | -72.8 | 177 | -24.6 | 0 | 0 | 112.4 | A86 H87 I88 I92 L93 S94 | A86-Q90 WeakPolarHBondContact O-CG 3.31Å; A86-Q90 PolarHBondContact O-N 2.91Å; H87-Q90 PolarHBondContact O-N 2.97Å; I88-Q90 PolarHBondContact O-N 3.11Å; Q90-I92 PolarHBondContact O-N 2.83Å; Q90-L93 PolarHBondContact O-N 2.99Å; Q90-S94 WeakPolarHBondContact O-CB 3.34Å; Q90-S94 PolarHBondContact O-N 3.24Å |
| 91 | A | 92.6 | Very high | 92 | Very high | 12 Ų | 12 | 71 Ų | 71 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L74 T75 H87 I88 S94 H95 | L74-A91 HydrophobicContact CB-CB 4.14Å; L74-A91 HydrophobicContact CD1-CB 3.96Å; T75-A91 HydrophobicContact CG2-CB 3.75Å; H87-A91 WeakPolarHBondContact O-CB 3.47Å; H87-A91 PolarHBondContact O-N 3.22Å; I88-A91 PolarHBondContact O-N 3.35Å; A91-S94 PolarHBondContact O-N 3.39Å; A91-H95 PolarHBondContact O-N 3.18Å |
| 92 | I | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 175.8 | -69.2 | 169 | 0 | 0 | 0 | 110.5 | L74 I88 K89 Q90 S94 H95 F96 A103 M106 K107 T110 F111 V213 | L74-I92 HydrophobicContact CD1-CG1 3.68Å; I88-I92 HydrophobicContact CG2-CD1 3.8Å; I88-I92 HydrophobicContact CG2-CG1 4.44Å; I88-I92 WeakPolarHBondContact O-CG1 2.99Å; I88-I92 PolarHBondContact O-N 3.2Å; K89-I92 PolarHBondContact O-N 3.45Å; Q90-I92 PolarHBondContact O-N 2.83Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3.08Å; I92-H95 WeakPolarHBondContact O-CB 3.37Å; I92-H95 PolarHBondContact O-N 3.26Å; I92-F96 HydrophobicContact CG2-CE2 4.26Å; I92-F96 VanDerWaalsContact O-CD2 3.31Å; I92-F96 WeakPolarHBondContact O-CD2 3.17Å; I92-F96 PolarHBondContact O-N 3.03Å; I92-A103 WeakPolarHBondContact CG2-O 3.34Å; I92-M106 HydrophobicContact CD1-CB 4.08Å; I92-M106 HydrophobicContact CG1-CB 4.08Å; I92-M106 HydrophobicContact CG2-CB 4.15Å; I92-K107 HydrophobicContact CG2-CB 4Å; I92-T110 HydrophobicContact CD1-CG2 3.94Å; I92-F111 HydrophobicContact CB-CE1 4.5Å; I92-F111 HydrophobicContact CD1-CE1 3.87Å; I92-V213 HydrophobicContact CD1-CB 4.37Å; I92-V213 HydrophobicContact CD1-CG2 4.32Å |
| 93 | L | 92.7 | Very high | 92.5 | Very high | 91 Ų | 91 | 58.5 Ų | 58.5 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 177.9 | -70.4 | 174.7 | 0 | 0 | 0 | 112.5 | K89 Q90 H95 F96 | K89-L93 VanDerWaalsContact O-CG 3.29Å; K89-L93 WeakPolarHBondContact O-CG 3.26Å; K89-L93 PolarHBondContact O-N 2.82Å; Q90-L93 PolarHBondContact O-N 2.99Å; L93-H95 VanDerWaalsContact C-N 3.33Å; L93-F96 HydrophobicContact CD2-CE2 4.33Å; L93-F96 WeakPolarHBondContact O-CB 3.5Å; L93-F96 PolarHBondContact O-N 3.48Å |
| 94 | S | 92.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 54 Ų | 54 | 57% | 0.573 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | 175.3 | -170 | 0 | 0 | 0 | 0 | 112.1 | Q90 A91 I92 F96 S97 | Q90-S94 WeakPolarHBondContact O-CB 3.34Å; Q90-S94 PolarHBondContact O-N 3.24Å; A91-S94 PolarHBondContact O-N 3.39Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3.08Å; S94-F96 PolarHBondContact O-N 3.02Å; S94-S97 PolarHBondContact O-N 3.37Å; S94-S97 PolarHBondContact O-OG 2.86Å |
| 95 | H | 92.2 | Very high | 92.9 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -19.3 | -179.4 | -158.2 | -55.4 | 0 | 0 | 0 | 113.6 | A91 I92 L93 S97 T98 D99 A103 M106 | A91-H95 PolarHBondContact O-N 3.18Å; I92-H95 WeakPolarHBondContact O-CB 3.37Å; I92-H95 PolarHBondContact O-N 3.26Å; L93-H95 VanDerWaalsContact C-N 3.33Å; H95-S97 PolarHBondContact O-N 3.01Å; H95-S97 VanDerWaalsContact O-N 3.14Å; H95-T98 PolarHBondContact O-N 3.45Å; H95-D99 PolarHBondContact O-N 3.44Å; H95-A103 HydrophobicContact CB-CB 4.15Å; H95-M106 HydrophobicContact CB-CE 4.09Å |
| 96 | F | 92.5 | Very high | 93 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 20% | 0.197 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.9 | 174.4 | -86.6 | -92.2 | 0 | 0 | 0 | 113.1 | I92 L93 S94 T98 P100 A103 S104 K107 E163 | I92-F96 HydrophobicContact CG2-CE2 4.26Å; I92-F96 VanDerWaalsContact O-CD2 3.31Å; I92-F96 WeakPolarHBondContact O-CD2 3.17Å; I92-F96 PolarHBondContact O-N 3.03Å; L93-F96 HydrophobicContact CD2-CE2 4.33Å; L93-F96 WeakPolarHBondContact O-CB 3.5Å; L93-F96 PolarHBondContact O-N 3.48Å; S94-F96 PolarHBondContact O-N 3.02Å; F96-T98 VanDerWaalsContact C-N 3.3Å; F96-T98 PolarHBondContact O-N 3.02Å; F96-P100 WeakPolarHBondContact O-CG 3.18Å; F96-A103 HydrophobicContact CB-CB 4.22Å; F96-A103 HydrophobicContact CD1-CB 4.01Å; F96-A103 HydrophobicContact CD2-CB 3.44Å; F96-A103 VanDerWaalsContact CD2-CB 3.44Å; F96-A103 HydrophobicContact CE1-CB 4.2Å; F96-A103 HydrophobicContact CE2-CB 3.67Å; F96-A103 HydrophobicContact CG-CB 3.63Å; F96-A103 HydrophobicContact CZ-CB 4.05Å; F96-S104 WeakPolarHBondContact CE1-OG 3.26Å; F96-K107 HydrophobicContact CE2-CD 4.2Å; F96-K107 HydrophobicContact CZ-CD 4.05Å; F96-E163 HydrophobicContact CE1-CB 3.77Å; F96-E163 HydrophobicContact CE1-CG 4.27Å; F96-E163 HydrophobicContact CZ-CB 4.2Å |
| 97 | S | 92.2 | Very high | 93.1 | Very high | 104 Ų | 104 | 47.3 Ų | 47.3 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26 | 176.5 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | S94 H95 | S94-S97 PolarHBondContact O-N 3.37Å; S94-S97 PolarHBondContact O-OG 2.86Å; H95-S97 PolarHBondContact O-N 3.01Å; H95-S97 VanDerWaalsContact O-N 3.14Å |
| 98 | T | 92.8 | Very high | 93.2 | Very high | 113 Ų | 113 | 45.4 Ų | 45.4 | 69% | 0.693 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -50.5 | -176.3 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | H95 F96 | H95-T98 PolarHBondContact O-N 3.45Å; F96-T98 VanDerWaalsContact C-N 3.3Å; F96-T98 PolarHBondContact O-N 3.02Å |
| 99 | D | 93.1 | Very high | 93.3 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | trans | -143.2 | 98.2 | 177.7 | -174.8 | -19.4 | 0 | 0 | 0 | 108.8 | H95 V101 A102 A103 | H95-D99 PolarHBondContact O-N 3.44Å; D99-V101 VanDerWaalsContact C-N 3.27Å; D99-V101 PolarHBondContact O-N 3.44Å; D99-V101 PolarHBondContact OD1-N 2.96Å; D99-A102 HydrophobicContact CB-CB 3.97Å; D99-A102 VanDerWaalsContact CG-CB 3.47Å; D99-A102 PolarHBondContact OD1-N 2.92Å; D99-A102 WeakPolarHBondContact OD2-CB 3.31Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.44Å; D99-A103 PolarHBondContact O-N 3.04Å | ||
| 100 | P | 94.1 | Very high | 93.2 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.1 | -34.6 | 179.3 | -23.1 | 31.6 | 0 | 0 | 0 | 113.3 | F96 S104 A167 | F96-P100 WeakPolarHBondContact O-CG 3.18Å; P100-S104 WeakPolarHBondContact O-CB 3.29Å; P100-S104 PolarHBondContact O-N 3.41Å; P100-S104 PolarHBondContact O-OG 2.71Å; P100-A167 HydrophobicContact CB-CB 3.82Å |
| 101 | V | 93.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.5 | -51.3 | -177 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | D99 A103 S104 I105 F164 A167 I168 H203 | D99-V101 VanDerWaalsContact C-N 3.27Å; D99-V101 PolarHBondContact O-N 3.44Å; D99-V101 PolarHBondContact OD1-N 2.96Å; V101-A103 VanDerWaalsContact C-N 3.31Å; V101-A103 PolarHBondContact O-N 3.22Å; V101-S104 PolarHBondContact O-N 3.16Å; V101-I105 HydrophobicContact CG1-CD1 3.92Å; V101-I105 VanDerWaalsContact O-CG1 3.29Å; V101-I105 WeakPolarHBondContact O-CG1 3.48Å; V101-I105 PolarHBondContact O-N 3.37Å; V101-F164 HydrophobicContact CG1-CD2 4.32Å; V101-F164 HydrophobicContact CG1-CE2 3.95Å; V101-A167 HydrophobicContact CB-CB 4.41Å; V101-A167 HydrophobicContact CG2-CB 3.7Å; V101-I168 HydrophobicContact CG1-CG2 4.15Å; V101-I168 HydrophobicContact CG2-CG2 4.25Å; V101-H203 HydrophobicContact CG1-CB 4.31Å |
| 102 | A | 93.5 | Very high | 93.1 | Very high | 24 Ų | 24 | 38 Ų | 38 | 20% | 0.198 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D99 S104 I105 M106 | D99-A102 HydrophobicContact CB-CB 3.97Å; D99-A102 VanDerWaalsContact CG-CB 3.47Å; D99-A102 PolarHBondContact OD1-N 2.92Å; D99-A102 WeakPolarHBondContact OD2-CB 3.31Å; A102-S104 PolarHBondContact O-N 2.92Å; A102-I105 PolarHBondContact O-N 3.34Å; A102-M106 WeakPolarHBondContact O-CG 3.4Å; A102-M106 PolarHBondContact O-N 2.92Å |
| 103 | A | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I92 H95 F96 D99 V101 M106 K107 | I92-A103 WeakPolarHBondContact CG2-O 3.34Å; H95-A103 HydrophobicContact CB-CB 4.15Å; F96-A103 HydrophobicContact CB-CB 4.22Å; F96-A103 HydrophobicContact CD1-CB 4.01Å; F96-A103 HydrophobicContact CD2-CB 3.44Å; F96-A103 VanDerWaalsContact CD2-CB 3.44Å; F96-A103 HydrophobicContact CE1-CB 4.2Å; F96-A103 HydrophobicContact CE2-CB 3.67Å; F96-A103 HydrophobicContact CG-CB 3.63Å; F96-A103 HydrophobicContact CZ-CB 4.05Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.44Å; D99-A103 PolarHBondContact O-N 3.04Å; V101-A103 VanDerWaalsContact C-N 3.31Å; V101-A103 PolarHBondContact O-N 3.22Å; A103-M106 HydrophobicContact CB-CE 4.38Å; A103-M106 PolarHBondContact O-N 3.3Å; A103-K107 WeakPolarHBondContact O-CB 3.39Å; A103-K107 PolarHBondContact O-N 2.93Å |
| 104 | S | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 112 | F96 P100 V101 A102 M106 K107 I108 E163 F164 | F96-S104 WeakPolarHBondContact CE1-OG 3.26Å; P100-S104 WeakPolarHBondContact O-CB 3.29Å; P100-S104 PolarHBondContact O-N 3.41Å; P100-S104 PolarHBondContact O-OG 2.71Å; V101-S104 PolarHBondContact O-N 3.16Å; A102-S104 PolarHBondContact O-N 2.92Å; S104-M106 PolarHBondContact O-N 2.92Å; S104-K107 WeakPolarHBondContact O-CB 3.39Å; S104-K107 PolarHBondContact O-N 2.87Å; S104-I108 VanDerWaalsContact O-CG1 3.32Å; S104-I108 WeakPolarHBondContact O-CG1 3.46Å; S104-I108 PolarHBondContact O-N 3.44Å; S104-E163 PolarHBondContact OG-O 3.23Å; S104-F164 PolarHBondContact OG-N 2.96Å |
| 105 | I | 94.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 175 | -66.5 | 168.2 | 0 | 0 | 0 | 110.4 | V101 A102 K107 I108 H109 F164 Q206 L207 A210 | V101-I105 HydrophobicContact CG1-CD1 3.92Å; V101-I105 VanDerWaalsContact O-CG1 3.29Å; V101-I105 WeakPolarHBondContact O-CG1 3.48Å; V101-I105 PolarHBondContact O-N 3.37Å; A102-I105 PolarHBondContact O-N 3.34Å; I105-K107 VanDerWaalsContact C-N 3.3Å; I105-K107 PolarHBondContact O-N 2.87Å; I105-I108 PolarHBondContact O-N 3.38Å; I105-H109 PolarHBondContact O-CD2 2.8Å; I105-H109 PolarHBondContact O-N 3.04Å; I105-F164 HydrophobicContact CD1-CE2 3.97Å; I105-F164 HydrophobicContact CG1-CD2 3.77Å; I105-F164 HydrophobicContact CG1-CE2 3.62Å; I105-Q206 HydrophobicContact CD1-CB 3.7Å; I105-L207 HydrophobicContact CB-CD1 4.47Å; I105-L207 HydrophobicContact CD1-CB 4.47Å; I105-L207 HydrophobicContact CG1-CB 4.45Å; I105-L207 HydrophobicContact CG1-CD1 3.94Å; I105-L207 HydrophobicContact CG2-CD1 4.26Å; I105-A210 HydrophobicContact CG2-CB 3.24Å |
| 106 | M | 93.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -41 | 176.2 | -73.2 | -172.1 | -71.2 | 0 | 0 | 111.7 | L74 I92 H95 A102 A103 S104 T110 V213 | L74-M106 HydrophobicContact CD1-SD 4.06Å; L74-M106 HydrophobicContact CD2-CE 4.47Å; L74-M106 HydrophobicContact CD2-SD 3.7Å; I92-M106 HydrophobicContact CD1-CB 4.08Å; I92-M106 HydrophobicContact CG1-CB 4.08Å; I92-M106 HydrophobicContact CG2-CB 4.15Å; H95-M106 HydrophobicContact CB-CE 4.09Å; A102-M106 WeakPolarHBondContact O-CG 3.4Å; A102-M106 PolarHBondContact O-N 2.92Å; A103-M106 HydrophobicContact CB-CE 4.38Å; A103-M106 PolarHBondContact O-N 3.3Å; S104-M106 PolarHBondContact O-N 2.92Å; M106-T110 WeakPolarHBondContact O-CB 3.15Å; M106-T110 PolarHBondContact O-N 3.29Å; M106-T110 PolarHBondContact O-OG1 3.47Å; M106-V213 HydrophobicContact CB-CG2 4.05Å; M106-V213 HydrophobicContact CG-CG2 3.78Å; M106-V213 HydrophobicContact SD-CG2 3.76Å |
| 107 | K | 94.2 | Very high | 92.8 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 177.3 | -172.7 | 173.7 | 173.3 | -177.6 | 0 | 111.6 | I92 F96 A103 S104 I105 H109 T110 F111 E163 | I92-K107 HydrophobicContact CG2-CB 4Å; F96-K107 HydrophobicContact CE2-CD 4.2Å; F96-K107 HydrophobicContact CZ-CD 4.05Å; A103-K107 WeakPolarHBondContact O-CB 3.39Å; A103-K107 PolarHBondContact O-N 2.93Å; S104-K107 WeakPolarHBondContact O-CB 3.39Å; S104-K107 PolarHBondContact O-N 2.87Å; I105-K107 VanDerWaalsContact C-N 3.3Å; I105-K107 PolarHBondContact O-N 2.87Å; K107-H109 PolarHBondContact O-N 3.44Å; K107-T110 PolarHBondContact O-N 2.76Å; K107-F111 HydrophobicContact CD-CD2 4.4Å; K107-F111 HydrophobicContact CD-CE2 4.24Å; K107-F111 HydrophobicContact CG-CD2 3.72Å; K107-F111 HydrophobicContact CG-CE2 3.85Å; K107-F111 HydrophobicContact CG-CG 4.12Å; K107-F111 HydrophobicContact CG-CZ 4.32Å; K107-F111 WeakPolarHBondContact O-CB 3.34Å; K107-F111 PolarHBondContact O-N 3.34Å; K107-E163 IonicContact NZ-OE1 2.64Å; K107-E163 PolarHBondContact NZ-OE1 3.47Å |
| 108 | I | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.4 | -50.2 | 177.5 | -67.4 | 165.6 | 0 | 0 | 0 | 110.8 | S104 I105 N112 V118 V122 E159 G160 F164 L207 | S104-I108 VanDerWaalsContact O-CG1 3.32Å; S104-I108 WeakPolarHBondContact O-CG1 3.46Å; S104-I108 PolarHBondContact O-N 3.44Å; I105-I108 PolarHBondContact O-N 3.38Å; I108-N112 PolarHBondContact O-ND2 3.3Å; I108-V118 HydrophobicContact CG2-CG1 4.18Å; I108-V122 HydrophobicContact CG2-CG2 4.39Å; I108-E159 WeakPolarHBondContact CA-O 3.31Å; I108-G160 VanDerWaalsContact CG1-C 3.49Å; I108-F164 HydrophobicContact CD1-CB 3.84Å; I108-F164 HydrophobicContact CD1-CG 4.19Å; I108-L207 HydrophobicContact CD1-CD1 4.11Å |
| 109 | H | 93 | Very high | 93 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 9% | 0.088 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.1 | -29.2 | -176.9 | -80.3 | -77 | 0 | 0 | 0 | 113.4 | I105 K107 R115 L207 A210 P212 | I105-H109 PolarHBondContact O-CD2 2.8Å; I105-H109 PolarHBondContact O-N 3.04Å; K107-H109 PolarHBondContact O-N 3.44Å; H109-R115 PolarHBondContact O-NH1 3.16Å; H109-R115 PolarHBondContact O-NH2 3.06Å; H109-L207 PolarHBondContact NE2-O 3.37Å; H109-A210 PolarHBondContact CE1-O 3.46Å; H109-A210 VanDerWaalsContact CE1-O 3.3Å; H109-A210 PolarHBondContact NE2-O 3.43Å; H109-P212 WeakPolarHBondContact O-CB 3.48Å |
| 110 | T | 91.5 | Very high | 93 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -93.5 | -41.6 | -170.7 | -52.5 | 0 | 0 | 0 | 0 | 112.9 | I88 I92 M106 K107 V213 | I88-T110 HydrophobicContact CG2-CG2 3.81Å; I92-T110 HydrophobicContact CD1-CG2 3.94Å; M106-T110 WeakPolarHBondContact O-CB 3.15Å; M106-T110 PolarHBondContact O-N 3.29Å; M106-T110 PolarHBondContact O-OG1 3.47Å; K107-T110 PolarHBondContact O-N 2.76Å; T110-V213 HydrophobicContact CG2-CB 4.27Å; T110-V213 WeakPolarHBondContact CG2-O 3.32Å; T110-V213 PolarHBondContact OG1-N 2.74Å |
| 111 | F | 91.7 | Very high | 93 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -81.5 | -29.9 | -171.5 | -70.9 | 15.6 | 0 | 0 | 0 | 112.1 | K89 I92 K107 R113 E159 | K89-F111 HydrophobicContact CB-CE1 3.88Å; K89-F111 HydrophobicContact CB-CE2 4.39Å; K89-F111 HydrophobicContact CB-CZ 3.58Å; K89-F111 HydrophobicContact CD-CE1 4.3Å; K89-F111 HydrophobicContact CD-CE2 4.28Å; K89-F111 HydrophobicContact CD-CZ 4.12Å; K89-F111 HydrophobicContact CG-CD1 4.03Å; K89-F111 HydrophobicContact CG-CE1 3.43Å; K89-F111 VanDerWaalsContact CG-CE1 3.43Å; K89-F111 HydrophobicContact CG-CE2 4.15Å; K89-F111 HydrophobicContact CG-CZ 3.5Å; K89-F111 VanDerWaalsContact CG-CZ 3.5Å; I92-F111 HydrophobicContact CB-CE1 4.5Å; I92-F111 HydrophobicContact CD1-CE1 3.87Å; K107-F111 HydrophobicContact CD-CD2 4.4Å; K107-F111 HydrophobicContact CD-CE2 4.24Å; K107-F111 HydrophobicContact CG-CD2 3.72Å; K107-F111 HydrophobicContact CG-CE2 3.85Å; K107-F111 HydrophobicContact CG-CG 4.12Å; K107-F111 HydrophobicContact CG-CZ 4.32Å; K107-F111 WeakPolarHBondContact O-CB 3.34Å; K107-F111 PolarHBondContact O-N 3.34Å; F111-R113 PolarHBondContact O-N 2.91Å; F111-E159 HydrophobicContact CB-CB 4.34Å; F111-E159 WeakPolarHBondContact CD2-OE2 3.38Å |
| 112 | N | 92 | Very high | 93.1 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | trans | -81.4 | 114.1 | 179.2 | -61.6 | -68 | 0 | 0 | 0 | 110.2 | I108 V118 L158 E159 | I108-N112 PolarHBondContact O-ND2 3.3Å; N112-V118 HydrophobicContact CB-CG2 3.33Å; N112-L158 HydrophobicContact CB-CD2 4.37Å; N112-E159 PolarHBondContact ND2-N 3.48Å; N112-E159 PolarHBondContact ND2-O 3.4Å; N112-E159 VanDerWaalsContact ND2-O 3.08Å; N112-E159 PolarHBondContact OD1-N 3.29Å; N112-E159 VanDerWaalsContact OD1-N 3.13Å | ||
| 113 | R | 88.4 | Confident | 93.1 | Very high | 226 Ų | 226 | 52 Ų | 52 | 85% | 0.853 | 24% | 0.235 | S | C | * | . | trans | -72.8 | -33.6 | -178.5 | -66.5 | -177.6 | 175.7 | 178.8 | -1.5 | 113 | F111 R115 | F111-R113 PolarHBondContact O-N 2.91Å; R113-R115 PolarHBondContact O-N 3.31Å | ||
| 114 | D | 92.6 | Very high | 93.1 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | trans | -80.2 | 102.5 | -179 | -172 | -24 | 0 | 0 | 0 | 110.2 | D116 R117 V118 | D114-D116 VanDerWaalsContact C-N 3.3Å; D114-D116 PolarHBondContact O-N 3.39Å; D114-D116 PolarHBondContact OD1-N 3.34Å; D114-D116 VanDerWaalsContact OD1-N 3.11Å; D114-R117 HydrophobicContact CB-CB 4.17Å; D114-R117 HydrophobicContact CB-CG 4.15Å; D114-R117 PolarHBondContact O-N 3.17Å; D114-R117 PolarHBondContact OD1-N 3.28Å; D114-R117 VanDerWaalsContact OD1-N 3.17Å; D114-R117 VanDerWaalsContact OD2-CD 3.3Å; D114-R117 WeakPolarHBondContact OD2-CD 3.31Å; D114-R117 WeakPolarHBondContact OD2-CG 3.43Å; D114-R117 IonicContact OD2-CZ 3.46Å; D114-R117 IonicContact OD2-NE 2.63Å; D114-R117 PolarHBondContact OD2-NE 3.09Å; D114-R117 IonicContact OD2-NH2 3.31Å; D114-V118 WeakPolarHBondContact O-CG2 3.45Å; D114-V118 PolarHBondContact O-N 3.39Å; D114-V118 VanDerWaalsContact O-N 3.17Å | ||
| 115 | R | 90.9 | Very high | 93.1 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 33% | 0.328 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.3 | -31.1 | -176.5 | -65.8 | -72.1 | 157.1 | -164.3 | -12.2 | 112.5 | H109 R113 V118 K119 P212 | H109-R115 PolarHBondContact O-NH1 3.16Å; H109-R115 PolarHBondContact O-NH2 3.06Å; R113-R115 PolarHBondContact O-N 3.31Å; R115-V118 PolarHBondContact O-N 3.36Å; R115-K119 WeakPolarHBondContact O-CB 3.49Å; R115-K119 PolarHBondContact O-N 3.48Å; R115-P212 VanDerWaalsContact NH2-CB 3.34Å |
| 116 | D | 92.8 | Very high | 93.1 | Very high | 122 Ų | 122 | 52.4 Ų | 52.4 | 65% | 0.652 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70.6 | -40.8 | -179.5 | -64.4 | -35.8 | 0 | 0 | 0 | 110.1 | D114 K119 L120 | D114-D116 VanDerWaalsContact C-N 3.3Å; D114-D116 PolarHBondContact O-N 3.39Å; D114-D116 PolarHBondContact OD1-N 3.34Å; D114-D116 VanDerWaalsContact OD1-N 3.11Å; D116-K119 PolarHBondContact O-N 2.92Å; D116-L120 WeakPolarHBondContact O-CB 3.33Å; D116-L120 VanDerWaalsContact O-CG 3.29Å; D116-L120 WeakPolarHBondContact O-CG 3.27Å; D116-L120 PolarHBondContact O-N 3.47Å |
| 117 | R | 92.9 | Very high | 93.1 | Very high | 144 Ų | 144 | 57.2 Ų | 57.2 | 54% | 0.543 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 172.6 | -70.3 | -177.8 | -156.5 | -160.4 | -3.2 | 112.7 | D114 K119 L120 G121 L158 | D114-R117 HydrophobicContact CB-CB 4.17Å; D114-R117 HydrophobicContact CB-CG 4.15Å; D114-R117 PolarHBondContact O-N 3.17Å; D114-R117 PolarHBondContact OD1-N 3.28Å; D114-R117 VanDerWaalsContact OD1-N 3.17Å; D114-R117 VanDerWaalsContact OD2-CD 3.3Å; D114-R117 WeakPolarHBondContact OD2-CD 3.31Å; D114-R117 WeakPolarHBondContact OD2-CG 3.43Å; D114-R117 IonicContact OD2-CZ 3.46Å; D114-R117 IonicContact OD2-NE 2.63Å; D114-R117 PolarHBondContact OD2-NE 3.09Å; D114-R117 IonicContact OD2-NH2 3.31Å; R117-K119 VanDerWaalsContact C-N 3.32Å; R117-K119 PolarHBondContact O-N 2.85Å; R117-L120 PolarHBondContact O-N 3.02Å; R117-G121 PolarHBondContact O-N 3.14Å; R117-L158 HydrophobicContact CB-CD2 4.22Å |
| 118 | V | 93.6 | Very high | 93 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -48.5 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | I108 N112 D114 R115 L120 G121 V122 L158 | I108-V118 HydrophobicContact CG2-CG1 4.18Å; N112-V118 HydrophobicContact CB-CG2 3.33Å; D114-V118 WeakPolarHBondContact O-CG2 3.45Å; D114-V118 PolarHBondContact O-N 3.39Å; D114-V118 VanDerWaalsContact O-N 3.17Å; R115-V118 PolarHBondContact O-N 3.36Å; V118-L120 PolarHBondContact O-N 2.68Å; V118-G121 PolarHBondContact O-N 3.22Å; V118-V122 HydrophobicContact CG1-CG2 4.2Å; V118-V122 WeakPolarHBondContact O-CB 3.37Å; V118-V122 VanDerWaalsContact O-CG2 3.27Å; V118-V122 WeakPolarHBondContact O-CG2 3.41Å; V118-V122 PolarHBondContact O-N 3.48Å; V118-L158 HydrophobicContact CG2-CD2 4.17Å |
| 119 | K | 94 | Very high | 92.8 | Very high | 138 Ų | 138 | 58.4 Ų | 58.4 | 60% | 0.6 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.6 | -48.4 | 178.3 | -172.5 | 178.8 | -179.2 | -179.8 | 0 | 112 | R115 D116 R117 G121 V122 D123 | R115-K119 WeakPolarHBondContact O-CB 3.49Å; R115-K119 PolarHBondContact O-N 3.48Å; D116-K119 PolarHBondContact O-N 2.92Å; R117-K119 VanDerWaalsContact C-N 3.32Å; R117-K119 PolarHBondContact O-N 2.85Å; K119-G121 VanDerWaalsContact C-N 3.32Å; K119-G121 PolarHBondContact O-N 2.9Å; K119-V122 PolarHBondContact O-N 3.18Å; K119-D123 WeakPolarHBondContact O-CB 3.46Å; K119-D123 VanDerWaalsContact O-CG 3.25Å; K119-D123 PolarHBondContact O-N 2.98Å |
| 120 | L | 94.1 | Very high | 92.7 | Very high | 87 Ų | 87 | 60 Ų | 60 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 178.2 | -74.5 | 170.7 | 0 | 0 | 0 | 112.8 | D116 R117 V118 T124 | D116-L120 WeakPolarHBondContact O-CB 3.33Å; D116-L120 VanDerWaalsContact O-CG 3.29Å; D116-L120 WeakPolarHBondContact O-CG 3.27Å; D116-L120 PolarHBondContact O-N 3.47Å; R117-L120 PolarHBondContact O-N 3.02Å; V118-L120 PolarHBondContact O-N 2.68Å; L120-T124 WeakPolarHBondContact O-CB 3.47Å; L120-T124 PolarHBondContact O-N 2.95Å; L120-T124 VanDerWaalsContact O-N 3.15Å; L120-T124 PolarHBondContact O-OG1 3.17Å |
| 121 | G | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -47.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R117 V118 K119 D123 T124 I125 R154 | R117-G121 PolarHBondContact O-N 3.14Å; V118-G121 PolarHBondContact O-N 3.22Å; K119-G121 VanDerWaalsContact C-N 3.32Å; K119-G121 PolarHBondContact O-N 2.9Å; G121-D123 PolarHBondContact O-N 3.47Å; G121-T124 WeakPolarHBondContact O-CB 3.45Å; G121-T124 PolarHBondContact O-N 3.48Å; G121-T124 VanDerWaalsContact O-N 3.07Å; G121-I125 VanDerWaalsContact O-CG1 3.31Å; G121-I125 WeakPolarHBondContact O-CG1 2.94Å; G121-I125 PolarHBondContact O-N 3.46Å; G121-R154 WeakPolarHBondContact CA-O 3.39Å |
| 122 | V | 94.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 176.1 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | I108 V118 K119 T124 I125 A126 L207 L208 | I108-V122 HydrophobicContact CG2-CG2 4.39Å; V118-V122 HydrophobicContact CG1-CG2 4.2Å; V118-V122 WeakPolarHBondContact O-CB 3.37Å; V118-V122 VanDerWaalsContact O-CG2 3.27Å; V118-V122 WeakPolarHBondContact O-CG2 3.41Å; V118-V122 PolarHBondContact O-N 3.48Å; K119-V122 PolarHBondContact O-N 3.18Å; V122-T124 VanDerWaalsContact C-N 3.26Å; V122-T124 PolarHBondContact O-N 3.34Å; V122-I125 PolarHBondContact O-N 3.41Å; V122-A126 WeakPolarHBondContact O-CB 3.42Å; V122-A126 PolarHBondContact O-N 3.4Å; V122-L207 HydrophobicContact CB-CD2 4.5Å; V122-L207 HydrophobicContact CB-CG 4.48Å; V122-L207 HydrophobicContact CG1-CD2 4.09Å; V122-L207 HydrophobicContact CG1-CG 3.89Å; V122-L207 HydrophobicContact CG2-CD1 4.09Å; V122-L207 HydrophobicContact CG2-CD2 4.33Å; V122-L207 HydrophobicContact CG2-CG 4.05Å; V122-L208 HydrophobicContact CG1-CD2 3.74Å |
| 123 | D | 94.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 176.1 | -74.1 | -16.1 | 0 | 0 | 0 | 111.9 | K119 G121 K127 | K119-D123 WeakPolarHBondContact O-CB 3.46Å; K119-D123 VanDerWaalsContact O-CG 3.25Å; K119-D123 PolarHBondContact O-N 2.98Å; G121-D123 PolarHBondContact O-N 3.47Å; D123-K127 VanDerWaalsContact O-CG 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.28Å; D123-K127 PolarHBondContact O-N 2.74Å; D123-K127 VanDerWaalsContact O-N 3.13Å |
| 124 | T | 94.2 | Very high | 92.2 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.6 | -41.6 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | L120 G121 V122 K127 Y128 V150 R154 I155 | L120-T124 WeakPolarHBondContact O-CB 3.47Å; L120-T124 PolarHBondContact O-N 2.95Å; L120-T124 VanDerWaalsContact O-N 3.15Å; L120-T124 PolarHBondContact O-OG1 3.17Å; G121-T124 WeakPolarHBondContact O-CB 3.45Å; G121-T124 PolarHBondContact O-N 3.48Å; G121-T124 VanDerWaalsContact O-N 3.07Å; V122-T124 VanDerWaalsContact C-N 3.26Å; V122-T124 PolarHBondContact O-N 3.34Å; T124-K127 PolarHBondContact O-N 3.5Å; T124-Y128 HydrophobicContact CG2-CE2 4.07Å; T124-Y128 PolarHBondContact O-N 3.17Å; T124-Y128 VanDerWaalsContact O-N 3.14Å; T124-V150 HydrophobicContact CG2-CG1 3.88Å; T124-R154 WeakPolarHBondContact OG1-CD 3.36Å; T124-I155 HydrophobicContact CG2-CD1 3.86Å; T124-I155 HydrophobicContact CG2-CG1 4.41Å |
| 125 | I | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 174.3 | -64.9 | 166.8 | 0 | 0 | 0 | 110.1 | G121 V122 K127 Y128 L129 I155 F164 F165 L207 | G121-I125 VanDerWaalsContact O-CG1 3.31Å; G121-I125 WeakPolarHBondContact O-CG1 2.94Å; G121-I125 PolarHBondContact O-N 3.46Å; V122-I125 PolarHBondContact O-N 3.41Å; I125-K127 VanDerWaalsContact C-N 3.29Å; I125-K127 PolarHBondContact O-N 2.97Å; I125-Y128 PolarHBondContact O-N 3.1Å; I125-Y128 VanDerWaalsContact O-N 3.08Å; I125-L129 HydrophobicContact CG2-CD1 4.26Å; I125-L129 WeakPolarHBondContact O-CG 3.32Å; I125-L129 PolarHBondContact O-N 2.83Å; I125-I155 HydrophobicContact CD1-CG2 4.43Å; I125-I155 HydrophobicContact CG1-CD1 3.75Å; I125-I155 HydrophobicContact CG1-CG1 4.05Å; I125-I155 HydrophobicContact CG1-CG2 4.47Å; I125-F164 HydrophobicContact CG2-CD1 4.24Å; I125-F164 HydrophobicContact CG2-CE1 3.67Å; I125-F165 HydrophobicContact CD1-CE2 4.36Å; I125-F165 HydrophobicContact CG1-CE2 4.16Å; I125-F165 HydrophobicContact CG1-CZ 3.91Å; I125-F165 HydrophobicContact CG2-CZ 4.24Å; I125-L207 HydrophobicContact CB-CD2 4.03Å; I125-L207 HydrophobicContact CD1-CD2 4.29Å; I125-L207 HydrophobicContact CG2-CD2 3.7Å |
| 126 | A | 94.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.1 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V122 L129 D130 K204 L208 | V122-A126 WeakPolarHBondContact O-CB 3.42Å; V122-A126 PolarHBondContact O-N 3.4Å; A126-L129 PolarHBondContact O-N 3.14Å; A126-D130 WeakPolarHBondContact O-CB 3.41Å; A126-D130 PolarHBondContact O-N 2.74Å; A126-K204 HydrophobicContact CB-CG 4.19Å; A126-L208 HydrophobicContact CB-CD2 4.29Å |
| 127 | K | 92.9 | Very high | 91.1 | Very high | 128 Ų | 128 | 62.8 Ų | 62.8 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 174.6 | -74.8 | 173.4 | -177.1 | 179.5 | 0 | 113.3 | D123 T124 I125 D130 N131 | D123-K127 VanDerWaalsContact O-CG 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.28Å; D123-K127 PolarHBondContact O-N 2.74Å; D123-K127 VanDerWaalsContact O-N 3.13Å; T124-K127 PolarHBondContact O-N 3.5Å; I125-K127 VanDerWaalsContact C-N 3.29Å; I125-K127 PolarHBondContact O-N 2.97Å; K127-D130 PolarHBondContact O-N 3.46Å; K127-N131 VanDerWaalsContact O-CG 3.27Å; K127-N131 PolarHBondContact O-N 3.44Å; K127-N131 PolarHBondContact O-ND2 2.79Å |
| 128 | Y | 91.5 | Very high | 90.9 | Very high | 45 Ų | 45 | 59.2 Ų | 59.2 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 174.7 | -70.7 | -38.4 | 0 | 0 | 0 | 111.5 | T124 I125 D130 N131 I132 I144 F151 I155 | T124-Y128 HydrophobicContact CG2-CE2 4.07Å; T124-Y128 PolarHBondContact O-N 3.17Å; T124-Y128 VanDerWaalsContact O-N 3.14Å; I125-Y128 PolarHBondContact O-N 3.1Å; I125-Y128 VanDerWaalsContact O-N 3.08Å; Y128-D130 VanDerWaalsContact C-N 3.34Å; Y128-N131 PolarHBondContact O-N 3.05Å; Y128-I132 WeakPolarHBondContact O-CG1 3.36Å; Y128-I132 PolarHBondContact O-N 3.42Å; Y128-I144 HydrophobicContact CD2-CD1 3.9Å; Y128-I144 HydrophobicContact CE2-CD1 4.47Å; Y128-I144 HydrophobicContact CE2-CG2 4.07Å; Y128-I144 HydrophobicContact CG-CD1 4.04Å; Y128-F151 HydrophobicContact CE2-CD2 4.3Å; Y128-I155 HydrophobicContact CD2-CD1 4.11Å; Y128-I155 HydrophobicContact CE2-CD1 3.66Å |
| 129 | L | 90.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 176.8 | -61.6 | 179.1 | 0 | 0 | 0 | 112.1 | I125 A126 I132 H133 I168 F170 L200 K204 | I125-L129 HydrophobicContact CG2-CD1 4.26Å; I125-L129 WeakPolarHBondContact O-CG 3.32Å; I125-L129 PolarHBondContact O-N 2.83Å; A126-L129 PolarHBondContact O-N 3.14Å; L129-I132 PolarHBondContact O-N 3.13Å; L129-H133 WeakPolarHBondContact O-CB 3.07Å; L129-H133 PolarHBondContact O-N 3.39Å; L129-I168 HydrophobicContact CD2-CD1 3.89Å; L129-F170 HydrophobicContact CD2-CE2 4.29Å; L129-L200 HydrophobicContact CD2-CD2 4.31Å; L129-K204 HydrophobicContact CB-CB 4.48Å; L129-K204 HydrophobicContact CD1-CB 3.84Å; L129-K204 HydrophobicContact CD1-CG 4.44Å |
| 130 | D | 91.1 | Very high | 90 | Very high | 52 Ų | 52 | 63.8 Ų | 63.8 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 175 | -79.6 | -24.9 | 0 | 0 | 0 | 112.5 | A126 K127 Y128 I132 H133 L134 K204 | A126-D130 WeakPolarHBondContact O-CB 3.41Å; A126-D130 PolarHBondContact O-N 2.74Å; K127-D130 PolarHBondContact O-N 3.46Å; Y128-D130 VanDerWaalsContact C-N 3.34Å; D130-I132 VanDerWaalsContact C-N 3.3Å; D130-I132 PolarHBondContact O-N 3.47Å; D130-H133 PolarHBondContact O-N 3.08Å; D130-L134 WeakPolarHBondContact O-CB 3.48Å; D130-L134 VanDerWaalsContact O-CG 3.27Å; D130-L134 WeakPolarHBondContact O-CG 3.12Å; D130-L134 PolarHBondContact O-N 2.9Å; D130-K204 WeakPolarHBondContact OD1-CE 3.43Å; D130-K204 IonicContact OD1-NZ 2.91Å; D130-K204 PolarHBondContact OD1-NZ 2.59Å; D130-K204 WeakPolarHBondContact OD2-CE 3.47Å; D130-K204 IonicContact OD2-NZ 3.57Å; D130-K204 PolarHBondContact OD2-NZ 3.44Å |
| 131 | N | 91.6 | Very high | 89.7 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 177.4 | -70.2 | -22 | 0 | 0 | 0 | 111.9 | K127 Y128 H135 Y141 | K127-N131 VanDerWaalsContact O-CG 3.27Å; K127-N131 PolarHBondContact O-N 3.44Å; K127-N131 PolarHBondContact O-ND2 2.79Å; Y128-N131 PolarHBondContact O-N 3.05Å; N131-H135 PolarHBondContact O-N 3.19Å; N131-Y141 HydrophobicContact CB-CD1 3.77Å; N131-Y141 HydrophobicContact CB-CE1 4.18Å; N131-Y141 HydrophobicContact CB-CG 4.05Å |
| 132 | I | 88.3 | Confident | 89.3 | Confident | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 175.6 | -66.1 | 165.5 | 0 | 0 | 0 | 110.8 | Y128 L129 D130 H135 P136 Y141 F170 L189 L200 | Y128-I132 WeakPolarHBondContact O-CG1 3.36Å; Y128-I132 PolarHBondContact O-N 3.42Å; L129-I132 PolarHBondContact O-N 3.13Å; D130-I132 VanDerWaalsContact C-N 3.3Å; D130-I132 PolarHBondContact O-N 3.47Å; I132-H135 CarbonylContact O-C 3.49Å; I132-P136 WeakPolarHBondContact O-CA 3.33Å; I132-Y141 WeakPolarHBondContact CD1-O 3.29Å; I132-Y141 WeakPolarHBondContact CG1-O 3.46Å; I132-F170 HydrophobicContact CD1-CE1 4.31Å; I132-F170 HydrophobicContact CD1-CZ 3.62Å; I132-L189 HydrophobicContact CG2-CD2 3.95Å; I132-L200 HydrophobicContact CG2-CD1 4.26Å |
| 133 | H | 85.4 | Confident | 89.1 | Confident | 106 Ų | 106 | 67 Ų | 67 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 179.2 | -175.9 | 70.1 | 0 | 0 | 0 | 112.7 | L129 D130 | L129-H133 WeakPolarHBondContact O-CB 3.07Å; L129-H133 PolarHBondContact O-N 3.39Å; D130-H133 PolarHBondContact O-N 3.08Å |
| 134 | L | 87.6 | Confident | 88.9 | Confident | 117 Ų | 117 | 64.4 Ų | 64.4 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -74.2 | -33.3 | 179.7 | -69.6 | 170.9 | 0 | 0 | 0 | 112.8 | D130 | D130-L134 WeakPolarHBondContact O-CB 3.48Å; D130-L134 VanDerWaalsContact O-CG 3.27Å; D130-L134 WeakPolarHBondContact O-CG 3.12Å; D130-L134 PolarHBondContact O-N 2.9Å |
| 135 | H | 87.3 | Confident | 88.7 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | trans | -129.7 | 68.4 | -175.9 | -61.4 | -80.6 | 0 | 0 | 0 | 111.5 | N131 I132 E137 E138 Y141 | N131-H135 PolarHBondContact O-N 3.19Å; I132-H135 CarbonylContact O-C 3.49Å; H135-E137 VanDerWaalsContact C-N 3.29Å; H135-E137 PolarHBondContact O-N 3.18Å; H135-E138 HydrophobicContact CB-CB 4.26Å; H135-E138 HydrophobicContact CB-CG 4.22Å; H135-E138 IonicContact ND1-OE1 3.58Å; H135-E138 PolarHBondContact O-N 3.02Å; H135-Y141 HydrophobicContact CB-CD2 3.66Å; H135-Y141 HydrophobicContact CB-CE2 3.74Å; H135-Y141 AromaticContact CG-CE2 3.94Å | ||
| 136 | P | 83.4 | Confident | 88.5 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.5 | -174.6 | 27 | -35 | 0 | 0 | 0 | 113.6 | I132 E138 Q142 | I132-P136 WeakPolarHBondContact O-CA 3.33Å; P136-E138 VanDerWaalsContact C-N 3.33Å; P136-Q142 PolarHBondContact O-NE2 3.48Å |
| 137 | E | 82.8 | Confident | 88.2 | Confident | 185 Ų | 185 | 70.5 Ų | 70.5 | 86% | 0.864 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -18.7 | -179.6 | -59 | -175.9 | 179.4 | 0 | 0 | 112.9 | H135 E139 | H135-E137 VanDerWaalsContact C-N 3.29Å; H135-E137 PolarHBondContact O-N 3.18Å; E137-E139 PolarHBondContact O-N 3.45Å |
| 138 | E | 87.5 | Confident | 88 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | trans | -88 | 102.8 | -174.6 | -67.8 | -168.3 | -151.6 | 0 | 0 | 111.8 | H135 P136 K140 Y141 | H135-E138 HydrophobicContact CB-CB 4.26Å; H135-E138 HydrophobicContact CB-CG 4.22Å; H135-E138 IonicContact ND1-OE1 3.58Å; H135-E138 PolarHBondContact O-N 3.02Å; P136-E138 VanDerWaalsContact C-N 3.33Å; E138-K140 HydrophobicContact CB-CG 4.42Å; E138-K140 PolarHBondContact O-N 2.68Å; E138-K140 WeakPolarHBondContact OE2-CD 3.45Å; E138-K140 WeakPolarHBondContact OE2-CE 3.18Å; E138-K140 IonicContact OE2-NZ 2.61Å; E138-K140 PolarHBondContact OE2-NZ 2.96Å; E138-Y141 HydrophobicContact CB-CD2 3.78Å; E138-Y141 HydrophobicContact CB-CE2 4.19Å; E138-Y141 PolarHBondContact O-N 3.33Å; E138-Y141 VanDerWaalsContact O-N 3.12Å; E138-Y141 WeakPolarHBondContact OE2-CE2 3.31Å | ||
| 139 | E | 82.6 | Confident | 88.1 | Confident | 108 Ų | 108 | 72.8 Ų | 72.8 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.3 | 179.4 | -66.8 | -159.9 | 172.1 | 0 | 0 | 114.3 | E137 Y141 Q142 K143 | E137-E139 PolarHBondContact O-N 3.45Å; E139-Y141 PolarHBondContact O-N 2.89Å; E139-Q142 WeakPolarHBondContact O-CB 3.44Å; E139-Q142 PolarHBondContact O-N 2.82Å; E139-Q142 VanDerWaalsContact O-N 3.11Å; E139-K143 IonicContact OE2-NZ 2.83Å; E139-K143 PolarHBondContact OE2-NZ 2.89Å |
| 140 | K | 87.2 | Confident | 88.1 | Confident | 129 Ų | 129 | 75.3 Ų | 75.3 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -32.1 | -179.1 | 81.4 | -169.8 | -164.9 | -151.6 | 0 | 112.3 | E138 | E138-K140 HydrophobicContact CB-CG 4.42Å; E138-K140 PolarHBondContact O-N 2.68Å; E138-K140 WeakPolarHBondContact OE2-CD 3.45Å; E138-K140 WeakPolarHBondContact OE2-CE 3.18Å; E138-K140 IonicContact OE2-NZ 2.61Å; E138-K140 PolarHBondContact OE2-NZ 2.96Å |
| 141 | Y | 87.4 | Confident | 88.2 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.6 | 178 | -64 | -56.9 | 0 | 0 | 0 | 112.6 | N131 I132 H135 E138 E139 K143 | N131-Y141 HydrophobicContact CB-CD1 3.77Å; N131-Y141 HydrophobicContact CB-CE1 4.18Å; N131-Y141 HydrophobicContact CB-CG 4.05Å; I132-Y141 WeakPolarHBondContact CD1-O 3.29Å; I132-Y141 WeakPolarHBondContact CG1-O 3.46Å; H135-Y141 HydrophobicContact CB-CD2 3.66Å; H135-Y141 HydrophobicContact CB-CE2 3.74Å; H135-Y141 AromaticContact CG-CE2 3.94Å; E138-Y141 HydrophobicContact CB-CD2 3.78Å; E138-Y141 HydrophobicContact CB-CE2 4.19Å; E138-Y141 PolarHBondContact O-N 3.33Å; E138-Y141 VanDerWaalsContact O-N 3.12Å; E138-Y141 WeakPolarHBondContact OE2-CE2 3.31Å; E139-Y141 PolarHBondContact O-N 2.89Å; Y141-K143 VanDerWaalsContact C-N 3.25Å; Y141-K143 PolarHBondContact O-N 3.26Å |
| 142 | Q | 86.6 | Confident | 88.2 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2.5 | 177.6 | -56.8 | 167.6 | 1 | 0 | 0 | 112.6 | P136 E139 V188 L189 | P136-Q142 PolarHBondContact O-NE2 3.48Å; E139-Q142 WeakPolarHBondContact O-CB 3.44Å; E139-Q142 PolarHBondContact O-N 2.82Å; E139-Q142 VanDerWaalsContact O-N 3.11Å; Q142-V188 WeakPolarHBondContact O-CA 3.45Å; Q142-L189 HydrophobicContact CB-CB 4.3Å; Q142-L189 PolarHBondContact O-N 3.09Å |
| 143 | K | 89.3 | Confident | 88.4 | Confident | 78 Ų | 78 | 80.5 Ų | 80.5 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.1 | 179.8 | -62 | 173.3 | -174.2 | 159.9 | 0 | 109.1 | E139 Y141 Y187 V188 | E139-K143 IonicContact OE2-NZ 2.83Å; E139-K143 PolarHBondContact OE2-NZ 2.89Å; Y141-K143 VanDerWaalsContact C-N 3.25Å; Y141-K143 PolarHBondContact O-N 3.26Å; K143-Y187 CarbonylContact C-O 3.52Å; K143-Y187 WeakPolarHBondContact CA-O 3.31Å; K143-V188 HydrophobicContact CG-CG1 4.28Å; K143-V188 HydrophobicContact CG-CG2 4.21Å |
| 144 | I | 90.8 | Very high | 88.7 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.2 | 177.6 | -55.6 | 171.1 | 0 | 0 | 0 | 108.4 | Y128 L146 F151 F165 F170 F186 Y187 | Y128-I144 HydrophobicContact CD2-CD1 3.9Å; Y128-I144 HydrophobicContact CE2-CD1 4.47Å; Y128-I144 HydrophobicContact CE2-CG2 4.07Å; Y128-I144 HydrophobicContact CG-CD1 4.04Å; I144-L146 PolarHBondContact O-N 3.18Å; I144-F151 HydrophobicContact CG2-CD2 3.75Å; I144-F151 HydrophobicContact CG2-CE2 4.15Å; I144-F165 HydrophobicContact CD1-CE1 3.81Å; I144-F165 HydrophobicContact CD1-CZ 4.43Å; I144-F170 HydrophobicContact CD1-CD1 4.45Å; I144-F170 HydrophobicContact CD1-CE1 3.7Å; I144-F170 HydrophobicContact CD1-CZ 3.97Å; I144-F170 HydrophobicContact CG1-CE1 4.19Å; I144-F186 CarbonylContact O-C 3.5Å; I144-F186 VanDerWaalsContact O-CA 3.31Å; I144-F186 WeakPolarHBondContact O-CA 3.46Å; I144-Y187 PolarHBondContact N-O 2.9Å; I144-Y187 PolarHBondContact O-N 3.32Å |
| 145 | K | 90.1 | Very high | 88.9 | Confident | 70 Ų | 70 | 74.8 Ų | 74.8 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 118.7 | 177.3 | -177.1 | 169.2 | 171 | 158.9 | 0 | 110.7 | Q147 N148 E184 F186 | K145-Q147 VanDerWaalsContact C-N 3.27Å; K145-Q147 HydrophobicContact CG-CB 4.34Å; K145-Q147 PolarHBondContact O-N 2.97Å; K145-N148 HydrophobicContact CB-CB 4.4Å; K145-N148 VanDerWaalsContact O-CB 3.26Å; K145-N148 WeakPolarHBondContact O-CB 3.34Å; K145-N148 PolarHBondContact O-N 3.39Å; K145-E184 VanDerWaalsContact CE-OE1 3.26Å; K145-E184 WeakPolarHBondContact CE-OE1 3.48Å; K145-E184 WeakPolarHBondContact CE-OE2 3.49Å; K145-E184 IonicContact NZ-OE1 2.59Å; K145-E184 PolarHBondContact NZ-OE1 2.6Å; K145-E184 IonicContact NZ-OE2 2.74Å; K145-E184 PolarHBondContact NZ-OE2 3.36Å; K145-F186 HydrophobicContact CB-CD1 3.93Å; K145-F186 HydrophobicContact CB-CE1 3.56Å; K145-F186 HydrophobicContact CB-CZ 4.24Å; K145-F186 HydrophobicContact CD-CE1 4.2Å; K145-F186 HydrophobicContact CD-CZ 4.12Å; K145-F186 HydrophobicContact CG-CE1 3.92Å; K145-F186 HydrophobicContact CG-CZ 4.09Å |
| 146 | L | 89.7 | Confident | 89.1 | Confident | 10 Ų | 10 | 74.7 Ų | 74.7 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -28.9 | -179 | -83.8 | 67.1 | 0 | 0 | 0 | 112.1 | I144 N148 F151 Q152 K172 E185 Y187 | I144-L146 PolarHBondContact O-N 3.18Å; L146-N148 PolarHBondContact O-N 3.05Å; L146-F151 HydrophobicContact CB-CD1 4.41Å; L146-F151 HydrophobicContact CB-CE1 4.35Å; L146-F151 HydrophobicContact CG-CD1 4.43Å; L146-F151 HydrophobicContact CG-CE1 3.92Å; L146-F151 HydrophobicContact CG-CZ 4.33Å; L146-F151 WeakPolarHBondContact O-CD1 3.44Å; L146-Q152 VanDerWaalsContact O-CG 3.28Å; L146-Q152 WeakPolarHBondContact O-CG 3.22Å; L146-K172 HydrophobicContact CD2-CD 4.41Å; L146-E185 HydrophobicContact CB-CB 4.28Å; L146-E185 WeakPolarHBondContact CD1-O 3.38Å; L146-E185 HydrophobicContact CD2-CB 4.1Å; L146-E185 PolarHBondContact N-O 3.35Å; L146-Y187 HydrophobicContact CD1-CD2 3.36Å; L146-Y187 HydrophobicContact CD1-CE2 3.88Å; L146-Y187 HydrophobicContact CD1-CG 3.85Å; L146-Y187 VanDerWaalsContact CD1-N 3.29Å; L146-Y187 HydrophobicContact CD2-CD2 4.4Å; L146-Y187 HydrophobicContact CD2-CE2 4.06Å; L146-Y187 HydrophobicContact CG-CD2 3.99Å; L146-Y187 HydrophobicContact CG-CE2 4.05Å |
| 147 | Q | 88.2 | Confident | 89.5 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.6 | 177.1 | -64.5 | 78.7 | 6.1 | 0 | 0 | 113.8 | K145 K149 E185 | K145-Q147 VanDerWaalsContact C-N 3.27Å; K145-Q147 HydrophobicContact CG-CB 4.34Å; K145-Q147 PolarHBondContact O-N 2.97Å; Q147-K149 PolarHBondContact O-N 3.45Å; Q147-E185 PolarHBondContact OE1-O 3.35Å |
| 148 | N | 90 | Very high | 89.9 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | trans | -65.9 | 130.9 | 176.5 | -174 | -40.7 | 0 | 0 | 0 | 110.1 | K145 L146 V150 F151 Q152 | K145-N148 HydrophobicContact CB-CB 4.4Å; K145-N148 VanDerWaalsContact O-CB 3.26Å; K145-N148 WeakPolarHBondContact O-CB 3.34Å; K145-N148 PolarHBondContact O-N 3.39Å; L146-N148 PolarHBondContact O-N 3.05Å; N148-V150 PolarHBondContact O-N 3.17Å; N148-V150 VanDerWaalsContact O-N 3.16Å; N148-V150 PolarHBondContact OD1-N 3.44Å; N148-F151 HydrophobicContact CB-CB 4.27Å; N148-F151 WeakPolarHBondContact O-CA 3.43Å; N148-F151 WeakPolarHBondContact O-CB 3.37Å; N148-F151 PolarHBondContact O-N 3.43Å; N148-Q152 PolarHBondContact O-N 3.29Å | ||
| 149 | K | 92.1 | Very high | 90.2 | Very high | 152 Ų | 152 | 66.8 Ų | 66.8 | 66% | 0.661 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -50 | -42.3 | 178.7 | -68.5 | -169.1 | 175.2 | -173.6 | 0 | 113.1 | Q147 F151 Q152 E153 | Q147-K149 PolarHBondContact O-N 3.45Å; K149-F151 VanDerWaalsContact C-N 3.33Å; K149-F151 PolarHBondContact O-N 3.38Å; K149-Q152 PolarHBondContact O-N 3.44Å; K149-E153 WeakPolarHBondContact O-CB 3.05Å; K149-E153 VanDerWaalsContact O-CG 3.31Å; K149-E153 WeakPolarHBondContact O-CG 3.35Å; K149-E153 PolarHBondContact O-N 3.24Å |
| 150 | V | 92.1 | Very high | 90.6 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 35% | 0.345 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | -179.8 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | T124 N148 R154 | T124-V150 HydrophobicContact CG2-CG1 3.88Å; N148-V150 PolarHBondContact O-N 3.17Å; N148-V150 VanDerWaalsContact O-N 3.16Å; N148-V150 PolarHBondContact OD1-N 3.44Å; V150-R154 VanDerWaalsContact O-CB 3.31Å; V150-R154 WeakPolarHBondContact O-CB 3.33Å; V150-R154 WeakPolarHBondContact O-CG 3.16Å; V150-R154 PolarHBondContact O-N 3.05Å |
| 151 | F | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.1 | -47.3 | 177 | -173 | -86.5 | 0 | 0 | 0 | 111 | Y128 I144 L146 N148 K149 E153 I155 N156 F165 Y187 | Y128-F151 HydrophobicContact CE2-CD2 4.3Å; I144-F151 HydrophobicContact CG2-CD2 3.75Å; I144-F151 HydrophobicContact CG2-CE2 4.15Å; L146-F151 HydrophobicContact CB-CD1 4.41Å; L146-F151 HydrophobicContact CB-CE1 4.35Å; L146-F151 HydrophobicContact CG-CD1 4.43Å; L146-F151 HydrophobicContact CG-CE1 3.92Å; L146-F151 HydrophobicContact CG-CZ 4.33Å; L146-F151 WeakPolarHBondContact O-CD1 3.44Å; N148-F151 HydrophobicContact CB-CB 4.27Å; N148-F151 WeakPolarHBondContact O-CA 3.43Å; N148-F151 WeakPolarHBondContact O-CB 3.37Å; N148-F151 PolarHBondContact O-N 3.43Å; K149-F151 VanDerWaalsContact C-N 3.33Å; K149-F151 PolarHBondContact O-N 3.38Å; F151-E153 PolarHBondContact O-N 2.87Å; F151-I155 HydrophobicContact CD2-CB 4.14Å; F151-I155 HydrophobicContact CD2-CD1 3.83Å; F151-I155 HydrophobicContact CD2-CG2 4.16Å; F151-I155 HydrophobicContact CE1-CG2 4.44Å; F151-I155 HydrophobicContact CE2-CB 4.14Å; F151-I155 HydrophobicContact CE2-CD1 4.13Å; F151-I155 HydrophobicContact CE2-CG2 3.65Å; F151-I155 HydrophobicContact CG-CB 4.44Å; F151-I155 HydrophobicContact CZ-CB 4.42Å; F151-I155 HydrophobicContact CZ-CG2 3.79Å; F151-I155 WeakPolarHBondContact O-CA 3.29Å; F151-I155 WeakPolarHBondContact O-CB 3.33Å; F151-I155 PolarHBondContact O-N 3Å; F151-N156 HydrophobicContact CD1-CB 4.22Å; F151-N156 HydrophobicContact CE1-CB 4.12Å; F151-N156 PolarHBondContact O-N 3.5Å; F151-F165 HydrophobicContact CE2-CD2 4.44Å; F151-F165 AromaticContact CE2-CE2 3.86Å; F151-F165 HydrophobicContact CE2-CE2 3.86Å; F151-F165 HydrophobicContact CE2-CZ 4.17Å; F151-F165 HydrophobicContact CZ-CE2 4.34Å; F151-Y187 HydrophobicContact CE2-CD2 4.3Å; F151-Y187 AromaticContact CZ-CD2 3.98Å; F151-Y187 HydrophobicContact CZ-CD2 3.98Å; F151-Y187 AromaticContact CZ-CE2 3.87Å; F151-Y187 HydrophobicContact CZ-CE2 3.87Å |
| 152 | Q | 92.2 | Very high | 91.1 | Very high | 93 Ų | 93 | 55 Ų | 55 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | -179.1 | -69.3 | -176.1 | -21.4 | 0 | 0 | 112.8 | L146 N148 K149 | L146-Q152 VanDerWaalsContact O-CG 3.28Å; L146-Q152 WeakPolarHBondContact O-CG 3.22Å; N148-Q152 PolarHBondContact O-N 3.29Å; K149-Q152 PolarHBondContact O-N 3.44Å |
| 153 | E | 92.5 | Very high | 91.5 | Very high | 137 Ų | 137 | 57.2 Ų | 57.2 | 64% | 0.64 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -75.2 | -35.2 | -174.9 | -70.5 | 174.9 | -176.7 | 0 | 0 | 112.8 | K149 F151 C157 | K149-E153 WeakPolarHBondContact O-CB 3.05Å; K149-E153 VanDerWaalsContact O-CG 3.31Å; K149-E153 WeakPolarHBondContact O-CG 3.35Å; K149-E153 PolarHBondContact O-N 3.24Å; F151-E153 PolarHBondContact O-N 2.87Å; E153-C157 PolarHBondContact O-SG 3.3Å |
| 154 | R | 92.1 | Very high | 91.8 | Very high | 102 Ų | 102 | 53.5 Ų | 53.5 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -105.6 | -31 | -169.9 | -56.7 | -174 | -178.6 | -167.7 | -2.2 | 115 | G121 T124 V150 L158 | G121-R154 WeakPolarHBondContact CA-O 3.39Å; T124-R154 WeakPolarHBondContact OG1-CD 3.36Å; V150-R154 VanDerWaalsContact O-CB 3.31Å; V150-R154 WeakPolarHBondContact O-CB 3.33Å; V150-R154 WeakPolarHBondContact O-CG 3.16Å; V150-R154 PolarHBondContact O-N 3.05Å; R154-L158 WeakPolarHBondContact O-CD1 3.39Å |
| 155 | I | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -51.2 | -170.5 | -64.1 | 174.8 | 0 | 0 | 0 | 110.3 | T124 I125 Y128 F151 C157 L158 S161 F165 | T124-I155 HydrophobicContact CG2-CD1 3.86Å; T124-I155 HydrophobicContact CG2-CG1 4.41Å; I125-I155 HydrophobicContact CD1-CG2 4.43Å; I125-I155 HydrophobicContact CG1-CD1 3.75Å; I125-I155 HydrophobicContact CG1-CG1 4.05Å; I125-I155 HydrophobicContact CG1-CG2 4.47Å; Y128-I155 HydrophobicContact CD2-CD1 4.11Å; Y128-I155 HydrophobicContact CE2-CD1 3.66Å; F151-I155 HydrophobicContact CD2-CB 4.14Å; F151-I155 HydrophobicContact CD2-CD1 3.83Å; F151-I155 HydrophobicContact CD2-CG2 4.16Å; F151-I155 HydrophobicContact CE1-CG2 4.44Å; F151-I155 HydrophobicContact CE2-CB 4.14Å; F151-I155 HydrophobicContact CE2-CD1 4.13Å; F151-I155 HydrophobicContact CE2-CG2 3.65Å; F151-I155 HydrophobicContact CG-CB 4.44Å; F151-I155 HydrophobicContact CZ-CB 4.42Å; F151-I155 HydrophobicContact CZ-CG2 3.79Å; F151-I155 WeakPolarHBondContact O-CA 3.29Å; F151-I155 WeakPolarHBondContact O-CB 3.33Å; F151-I155 PolarHBondContact O-N 3Å; I155-C157 PolarHBondContact O-N 3.4Å; I155-C157 VanDerWaalsContact O-N 3.1Å; I155-L158 WeakPolarHBondContact O-CB 3.3Å; I155-L158 PolarHBondContact O-N 3.11Å; I155-S161 PolarHBondContact O-OG 3.2Å; I155-S161 VanDerWaalsContact O-OG 3.06Å; I155-F165 HydrophobicContact CD1-CZ 4.43Å; I155-F165 HydrophobicContact CG2-CE2 3.69Å; I155-F165 HydrophobicContact CG2-CZ 4.49Å |
| 156 | N | 90.7 | Very high | 92 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23 | -176.7 | -166 | 83.7 | 0 | 0 | 0 | 113.1 | F151 L158 H162 | F151-N156 HydrophobicContact CD1-CB 4.22Å; F151-N156 HydrophobicContact CE1-CB 4.12Å; F151-N156 PolarHBondContact O-N 3.5Å; N156-L158 VanDerWaalsContact C-N 3.3Å; N156-H162 PolarHBondContact OD1-CE1 3.24Å; N156-H162 VanDerWaalsContact OD1-CE1 3.29Å; N156-H162 PolarHBondContact OD1-NE2 2.66Å; N156-H162 VanDerWaalsContact OD1-NE2 3.16Å |
| 157 | C | 90.5 | Very high | 92.2 | Very high | 59 Ų | 59 | 56 Ų | 56 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.1 | 175.3 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | E153 I155 | E153-C157 PolarHBondContact O-SG 3.3Å; I155-C157 PolarHBondContact O-N 3.4Å; I155-C157 VanDerWaalsContact O-N 3.1Å |
| 158 | L | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -94.1 | 123.9 | -178.9 | -61.7 | 179.7 | 0 | 0 | 0 | 111.1 | N112 R117 V118 R154 I155 N156 G160 S161 | N112-L158 HydrophobicContact CB-CD2 4.37Å; R117-L158 HydrophobicContact CB-CD2 4.22Å; V118-L158 HydrophobicContact CG2-CD2 4.17Å; R154-L158 WeakPolarHBondContact O-CD1 3.39Å; I155-L158 WeakPolarHBondContact O-CB 3.3Å; I155-L158 PolarHBondContact O-N 3.11Å; N156-L158 VanDerWaalsContact C-N 3.3Å; L158-G160 PolarHBondContact O-N 3.47Å; L158-S161 WeakPolarHBondContact O-CB 3.48Å; L158-S161 PolarHBondContact O-N 2.77Å; L158-S161 PolarHBondContact O-OG 3.4Å |
| 159 | E | 92.3 | Very high | 92.4 | Very high | 103 Ų | 103 | 51.1 Ų | 51.1 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 131.2 | 172.1 | -65.9 | -175.4 | -161.4 | 0 | 0 | 110.5 | I108 F111 N112 | I108-E159 WeakPolarHBondContact CA-O 3.31Å; F111-E159 HydrophobicContact CB-CB 4.34Å; F111-E159 WeakPolarHBondContact CD2-OE2 3.38Å; N112-E159 PolarHBondContact ND2-N 3.48Å; N112-E159 PolarHBondContact ND2-O 3.4Å; N112-E159 VanDerWaalsContact ND2-O 3.08Å; N112-E159 PolarHBondContact OD1-N 3.29Å; N112-E159 VanDerWaalsContact OD1-N 3.13Å |
| 160 | G | 91.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -9.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I108 L158 E163 F164 | I108-G160 VanDerWaalsContact CG1-C 3.49Å; L158-G160 PolarHBondContact O-N 3.47Å; G160-E163 WeakPolarHBondContact CA-OE2 3.35Å; G160-E163 PolarHBondContact N-OE2 2.96Å; G160-F164 WeakPolarHBondContact O-CB 3.43Å; G160-F164 PolarHBondContact O-N 3.36Å; G160-F164 VanDerWaalsContact O-N 3.09Å |
| 161 | S | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.7 | -43.4 | -177.8 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | I155 L158 F164 F165 | I155-S161 PolarHBondContact O-OG 3.2Å; I155-S161 VanDerWaalsContact O-OG 3.06Å; L158-S161 WeakPolarHBondContact O-CB 3.48Å; L158-S161 PolarHBondContact O-N 2.77Å; L158-S161 PolarHBondContact O-OG 3.4Å; S161-F164 WeakPolarHBondContact O-CB 3.29Å; S161-F164 PolarHBondContact O-N 3Å; S161-F165 WeakPolarHBondContact O-CD2 3.44Å; S161-F165 PolarHBondContact O-N 2.99Å; S161-F165 VanDerWaalsContact O-N 3.08Å |
| 162 | H | 92.9 | Very high | 92.4 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 178.7 | -68.5 | -72.7 | 0 | 0 | 0 | 111.7 | N156 F164 F165 E166 Y187 | N156-H162 PolarHBondContact OD1-CE1 3.24Å; N156-H162 VanDerWaalsContact OD1-CE1 3.29Å; N156-H162 PolarHBondContact OD1-NE2 2.66Å; N156-H162 VanDerWaalsContact OD1-NE2 3.16Å; H162-F164 PolarHBondContact O-N 3.32Å; H162-F165 PolarHBondContact O-N 3.48Å; H162-E166 PolarHBondContact O-N 3.32Å; H162-Y187 WeakPolarHBondContact CB-OH 3.49Å; H162-Y187 AromaticContact ND1-CE2 3.76Å; H162-Y187 AromaticContact ND1-CZ 3.75Å; H162-Y187 PolarHBondContact ND1-OH 3.44Å |
| 163 | E | 93.7 | Very high | 92.3 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -33.2 | 177.9 | -58 | 93.2 | 146.6 | 0 | 0 | 111.6 | F96 S104 K107 G160 E166 A167 | F96-E163 HydrophobicContact CE1-CB 3.77Å; F96-E163 HydrophobicContact CE1-CG 4.27Å; F96-E163 HydrophobicContact CZ-CB 4.2Å; S104-E163 PolarHBondContact OG-O 3.23Å; K107-E163 IonicContact NZ-OE1 2.64Å; K107-E163 PolarHBondContact NZ-OE1 3.47Å; G160-E163 WeakPolarHBondContact CA-OE2 3.35Å; G160-E163 PolarHBondContact N-OE2 2.96Å; E163-E166 PolarHBondContact O-N 3.45Å; E163-A167 WeakPolarHBondContact O-CB 3.38Å; E163-A167 PolarHBondContact O-N 2.9Å |
| 164 | F | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 172.8 | 179 | -100.2 | 0 | 0 | 0 | 111.9 | V101 S104 I105 I108 I125 G160 S161 H162 E166 A167 I168 L207 | V101-F164 HydrophobicContact CG1-CD2 4.32Å; V101-F164 HydrophobicContact CG1-CE2 3.95Å; S104-F164 PolarHBondContact OG-N 2.96Å; I105-F164 HydrophobicContact CD1-CE2 3.97Å; I105-F164 HydrophobicContact CG1-CD2 3.77Å; I105-F164 HydrophobicContact CG1-CE2 3.62Å; I108-F164 HydrophobicContact CD1-CB 3.84Å; I108-F164 HydrophobicContact CD1-CG 4.19Å; I125-F164 HydrophobicContact CG2-CD1 4.24Å; I125-F164 HydrophobicContact CG2-CE1 3.67Å; G160-F164 WeakPolarHBondContact O-CB 3.43Å; G160-F164 PolarHBondContact O-N 3.36Å; G160-F164 VanDerWaalsContact O-N 3.09Å; S161-F164 WeakPolarHBondContact O-CB 3.29Å; S161-F164 PolarHBondContact O-N 3Å; H162-F164 PolarHBondContact O-N 3.32Å; F164-E166 VanDerWaalsContact C-N 3.33Å; F164-E166 PolarHBondContact O-N 3.06Å; F164-A167 PolarHBondContact O-N 3.2Å; F164-I168 HydrophobicContact CD1-CD1 4.21Å; F164-I168 HydrophobicContact CD2-CG2 4.29Å; F164-I168 HydrophobicContact CE1-CD1 3.75Å; F164-I168 HydrophobicContact CE1-CG2 4.15Å; F164-I168 HydrophobicContact CE2-CG2 3.84Å; F164-I168 HydrophobicContact CZ-CD1 4.3Å; F164-I168 HydrophobicContact CZ-CG2 3.77Å; F164-I168 WeakPolarHBondContact O-CG1 3.36Å; F164-I168 WeakPolarHBondContact O-CG2 3.2Å; F164-I168 PolarHBondContact O-N 3.29Å; F164-L207 HydrophobicContact CE1-CD2 4.03Å; F164-L207 HydrophobicContact CE2-CB 4.49Å; F164-L207 HydrophobicContact CE2-CD1 4.38Å; F164-L207 HydrophobicContact CZ-CB 4.26Å; F164-L207 HydrophobicContact CZ-CD1 4.49Å; F164-L207 HydrophobicContact CZ-CD2 3.98Å; F164-L207 HydrophobicContact CZ-CG 4.47Å |
| 165 | F | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 177.4 | -82.4 | -70.6 | 0 | 0 | 0 | 111.9 | I125 I144 F151 I155 S161 H162 I168 G169 F170 Y187 | I125-F165 HydrophobicContact CD1-CE2 4.36Å; I125-F165 HydrophobicContact CG1-CE2 4.16Å; I125-F165 HydrophobicContact CG1-CZ 3.91Å; I125-F165 HydrophobicContact CG2-CZ 4.24Å; I144-F165 HydrophobicContact CD1-CE1 3.81Å; I144-F165 HydrophobicContact CD1-CZ 4.43Å; F151-F165 HydrophobicContact CE2-CD2 4.44Å; F151-F165 AromaticContact CE2-CE2 3.86Å; F151-F165 HydrophobicContact CE2-CE2 3.86Å; F151-F165 HydrophobicContact CE2-CZ 4.17Å; F151-F165 HydrophobicContact CZ-CE2 4.34Å; I155-F165 HydrophobicContact CD1-CZ 4.43Å; I155-F165 HydrophobicContact CG2-CE2 3.69Å; I155-F165 HydrophobicContact CG2-CZ 4.49Å; S161-F165 WeakPolarHBondContact O-CD2 3.44Å; S161-F165 PolarHBondContact O-N 2.99Å; S161-F165 VanDerWaalsContact O-N 3.08Å; H162-F165 PolarHBondContact O-N 3.48Å; F165-I168 HydrophobicContact CD1-CD1 4.3Å; F165-I168 WeakPolarHBondContact O-CG1 3.39Å; F165-G169 PolarHBondContact O-N 3.4Å; F165-F170 HydrophobicContact CB-CB 4.2Å; F165-F170 AromaticContact CD1-CD2 3.72Å; F165-F170 HydrophobicContact CD1-CD2 3.72Å; F165-F170 AromaticContact CD1-CE2 3.97Å; F165-F170 HydrophobicContact CD1-CE2 3.97Å; F165-F170 HydrophobicContact CD1-CG 4.04Å; F165-F170 HydrophobicContact CD1-CZ 4.46Å; F165-F170 HydrophobicContact CE1-CE2 4.37Å; F165-F170 VanDerWaalsContact O-CB 3.31Å; F165-F170 WeakPolarHBondContact O-CB 3.47Å; F165-F170 PolarHBondContact O-N 3.31Å; F165-Y187 HydrophobicContact CB-CD1 4.33Å; F165-Y187 HydrophobicContact CB-CD2 4.44Å; F165-Y187 HydrophobicContact CB-CE1 4.16Å; F165-Y187 HydrophobicContact CB-CE2 4.3Å; F165-Y187 HydrophobicContact CB-CG 4.48Å; F165-Y187 HydrophobicContact CD2-CE2 4.37Å; F165-Y187 HydrophobicContact CG-CD2 4.36Å; F165-Y187 HydrophobicContact CG-CE2 4.43Å |
| 166 | E | 92.6 | Very high | 91.1 | Very high | 107 Ų | 107 | 50.3 Ų | 50.3 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176.3 | -69.9 | 175.4 | -169.6 | 0 | 0 | 111.9 | H162 E163 F164 I168 G169 F170 Y187 | H162-E166 PolarHBondContact O-N 3.32Å; E163-E166 PolarHBondContact O-N 3.45Å; F164-E166 VanDerWaalsContact C-N 3.33Å; F164-E166 PolarHBondContact O-N 3.06Å; E166-I168 PolarHBondContact O-N 3.07Å; E166-G169 PolarHBondContact O-N 3.5Å; E166-G169 VanDerWaalsContact O-N 3.12Å; E166-F170 WeakPolarHBondContact CA-O 3.38Å; E166-Y187 HydrophobicContact CG-CE1 4.3Å |
| 167 | A | 92.4 | Very high | 90.3 | Very high | 34 Ų | 34 | 48 Ų | 48 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P100 V101 E163 F164 G169 | P100-A167 HydrophobicContact CB-CB 3.82Å; V101-A167 HydrophobicContact CB-CB 4.41Å; V101-A167 HydrophobicContact CG2-CB 3.7Å; E163-A167 WeakPolarHBondContact O-CB 3.38Å; E163-A167 PolarHBondContact O-N 2.9Å; F164-A167 PolarHBondContact O-N 3.2Å; A167-G169 PolarHBondContact O-N 3.18Å |
| 168 | I | 92.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2.2 | 175.8 | 69.7 | 179.8 | 0 | 0 | 0 | 113.1 | V101 L129 F164 F165 E166 F170 L200 H203 | V101-I168 HydrophobicContact CG1-CG2 4.15Å; V101-I168 HydrophobicContact CG2-CG2 4.25Å; L129-I168 HydrophobicContact CD2-CD1 3.89Å; F164-I168 HydrophobicContact CD1-CD1 4.21Å; F164-I168 HydrophobicContact CD2-CG2 4.29Å; F164-I168 HydrophobicContact CE1-CD1 3.75Å; F164-I168 HydrophobicContact CE1-CG2 4.15Å; F164-I168 HydrophobicContact CE2-CG2 3.84Å; F164-I168 HydrophobicContact CZ-CD1 4.3Å; F164-I168 HydrophobicContact CZ-CG2 3.77Å; F164-I168 WeakPolarHBondContact O-CG1 3.36Å; F164-I168 WeakPolarHBondContact O-CG2 3.2Å; F164-I168 PolarHBondContact O-N 3.29Å; F165-I168 HydrophobicContact CD1-CD1 4.3Å; F165-I168 WeakPolarHBondContact O-CG1 3.39Å; E166-I168 PolarHBondContact O-N 3.07Å; I168-F170 HydrophobicContact CD1-CD2 3.79Å; I168-F170 HydrophobicContact CD1-CE2 3.64Å; I168-F170 HydrophobicContact CG1-CD2 3.69Å; I168-F170 HydrophobicContact CG1-CE2 4Å; I168-L200 HydrophobicContact CB-CD2 4.29Å; I168-H203 HydrophobicContact CG2-CB 3.91Å |
| 169 | G | 90.4 | Very high | 87.6 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 24% | 0.237 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105 | 15.8 | 172 | 0 | 0 | 0 | 0 | 0 | 116.4 | F165 E166 A167 G190 | F165-G169 PolarHBondContact O-N 3.4Å; E166-G169 PolarHBondContact O-N 3.5Å; E166-G169 VanDerWaalsContact O-N 3.12Å; A167-G169 PolarHBondContact O-N 3.18Å; G169-G190 PolarHBondContact O-N 3.04Å |
| 170 | F | 92.5 | Very high | 86.4 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 1% | 0.013 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 140.1 | 166 | -71.3 | -101.5 | 0 | 0 | 0 | 110.7 | L129 I132 I144 F165 E166 I168 Y187 V188 L189 | L129-F170 HydrophobicContact CD2-CE2 4.29Å; I132-F170 HydrophobicContact CD1-CE1 4.31Å; I132-F170 HydrophobicContact CD1-CZ 3.62Å; I144-F170 HydrophobicContact CD1-CD1 4.45Å; I144-F170 HydrophobicContact CD1-CE1 3.7Å; I144-F170 HydrophobicContact CD1-CZ 3.97Å; I144-F170 HydrophobicContact CG1-CE1 4.19Å; F165-F170 HydrophobicContact CB-CB 4.2Å; F165-F170 AromaticContact CD1-CD2 3.72Å; F165-F170 HydrophobicContact CD1-CD2 3.72Å; F165-F170 AromaticContact CD1-CE2 3.97Å; F165-F170 HydrophobicContact CD1-CE2 3.97Å; F165-F170 HydrophobicContact CD1-CG 4.04Å; F165-F170 HydrophobicContact CD1-CZ 4.46Å; F165-F170 HydrophobicContact CE1-CE2 4.37Å; F165-F170 VanDerWaalsContact O-CB 3.31Å; F165-F170 WeakPolarHBondContact O-CB 3.47Å; F165-F170 PolarHBondContact O-N 3.31Å; E166-F170 WeakPolarHBondContact CA-O 3.38Å; I168-F170 HydrophobicContact CD1-CD2 3.79Å; I168-F170 HydrophobicContact CD1-CE2 3.64Å; I168-F170 HydrophobicContact CG1-CD2 3.69Å; I168-F170 HydrophobicContact CG1-CE2 4Å; F170-Y187 HydrophobicContact CB-CD1 3.84Å; F170-Y187 HydrophobicContact CB-CG 4.27Å; F170-V188 CarbonylContact C-O 3.59Å; F170-V188 WeakPolarHBondContact CA-O 3.47Å; F170-L189 HydrophobicContact CD1-CB 4.22Å; F170-L189 HydrophobicContact CD2-CD1 3.93Å; F170-L189 HydrophobicContact CE1-CB 4.03Å; F170-L189 HydrophobicContact CE1-CD1 4.42Å; F170-L189 HydrophobicContact CE2-CD1 3.75Å; F170-L189 HydrophobicContact CG-CD1 4.35Å; F170-L189 HydrophobicContact CZ-CB 4.35Å; F170-L189 HydrophobicContact CZ-CD1 4.03Å |
| 171 | K | 91.8 | Very high | 85 | Confident | 128 Ų | 128 | 69.9 Ų | 69.9 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.4 | 173.2 | -65.4 | -179.9 | -178.1 | 174.7 | 0 | 109.1 | V173 V188 | K171-V173 HydrophobicContact CB-CG2 4.48Å; K171-V173 PolarHBondContact O-N 3.19Å; K171-V188 PolarHBondContact N-O 2.95Å; K171-V188 PolarHBondContact O-N 3.42Å |
| 172 | K | 92.4 | Very high | 83.9 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 119.2 | 173.7 | -170.8 | 177.9 | 178 | -177.4 | 0 | 109 | L146 E185 F186 Y187 | L146-K172 HydrophobicContact CD2-CD 4.41Å; K172-E185 WeakPolarHBondContact CE-OE1 3.25Å; K172-E185 WeakPolarHBondContact CE-OE2 3.49Å; K172-E185 IonicContact NZ-OE1 3.28Å; K172-E185 PolarHBondContact NZ-OE1 3.33Å; K172-E185 IonicContact NZ-OE2 3.4Å; K172-E185 PolarHBondContact NZ-OE2 3.48Å; K172-F186 WeakPolarHBondContact CA-O 3.38Å; K172-Y187 HydrophobicContact CB-CD1 4.31Å; K172-Y187 HydrophobicContact CB-CE1 3.97Å |
| 173 | V | 91.1 | Very high | 83.2 | Confident | 54 Ų | 54 | 76.4 Ų | 76.4 | 33% | 0.327 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136 | -178.5 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | K171 L175 F186 V188 | K171-V173 HydrophobicContact CB-CG2 4.48Å; K171-V173 PolarHBondContact O-N 3.19Å; V173-L175 HydrophobicContact CG1-CD2 3.87Å; V173-L175 HydrophobicContact CG1-CG 4.14Å; V173-F186 PolarHBondContact N-O 3Å; V173-F186 PolarHBondContact O-N 2.97Å; V173-V188 HydrophobicContact CB-CG2 4.3Å; V173-V188 HydrophobicContact CG2-CG2 4.29Å |
| 174 | T | 89 | Confident | 82.8 | Confident | 70 Ų | 70 | 75 Ų | 75 | 43% | 0.429 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117 | 173.2 | -52.1 | 0 | 0 | 0 | 0 | 109 | Q183 E184 | T174-Q183 HydrophobicContact CG2-CB 3.58Å; T174-Q183 HydrophobicContact CG2-CG 4.12Å; T174-E184 CarbonylContact C-O 3.52Å; T174-E184 WeakPolarHBondContact CA-O 3.21Å |
| 175 | L | 82.2 | Confident | 82.5 | Confident | 62 Ų | 62 | 78 Ų | 78 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.8 | -179.4 | -65 | 175.1 | 0 | 0 | 0 | 110.3 | V173 E184 F186 | V173-L175 HydrophobicContact CG1-CD2 3.87Å; V173-L175 HydrophobicContact CG1-CG 4.14Å; L175-E184 PolarHBondContact N-O 2.9Å; L175-E184 PolarHBondContact O-N 3.34Å; L175-F186 HydrophobicContact CB-CD2 3.98Å; L175-F186 HydrophobicContact CB-CE2 4.18Å; L175-F186 HydrophobicContact CD1-CB 4.4Å; L175-F186 HydrophobicContact CD1-CD2 3.94Å; L175-F186 HydrophobicContact CD1-CE2 4.48Å; L175-F186 HydrophobicContact CD1-CG 4.21Å; L175-F186 HydrophobicContact CG-CD2 4.2Å |
| 176 | P | 80.2 | Confident | 82.3 | Confident | 106 Ų | 106 | 79.8 Ų | 79.8 | 69% | 0.688 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 133.9 | 170.8 | 28.8 | -32.1 | 0 | 0 | 0 | 109.8 | P178 | P176-P178 WeakPolarHBondContact O-CD 3.3Å |
| 177 | V | 72.2 | Confident | 82.3 | Confident | 30 Ų | 30 | 74.8 Ų | 74.8 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 120.1 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | D179 Q180 G182 E184 | V177-D179 PolarHBondContact O-N 3.37Å; V177-Q180 HydrophobicContact CB-CB 4.45Å; V177-Q180 HydrophobicContact CG1-CB 4.49Å; V177-Q180 PolarHBondContact O-N 2.96Å; V177-Q180 VanDerWaalsContact O-O 3.13Å; V177-G182 PolarHBondContact N-O 3.43Å; V177-E184 HydrophobicContact CG2-CB 3.75Å; V177-E184 HydrophobicContact CG2-CG 3.35Å; V177-E184 WeakPolarHBondContact CG2-OE2 3.42Å |
| 178 | P | 61.3 | Low | 82.3 | Confident | 108 Ų | 108 | 74.4 Ų | 74.4 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 123 | 167.3 | 20.7 | -20.5 | 0 | 0 | 0 | 107.4 | P176 | P176-P178 WeakPolarHBondContact O-CD 3.3Š|
| 179 | D | 66.6 | Low | 82.2 | Confident | 167 Ų | 167 | 74.2 Ų | 74.2 | 89% | 0.893 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | 0 | -179.5 | -49.1 | -32.8 | 0 | 0 | 0 | 117.9 | V177 | V177-D179 PolarHBondContact O-N 3.37Š|
| 180 | Q | 66 | Low | 82.2 | Confident | 137 Ų | 137 | 73.6 Ų | 73.6 | 64% | 0.64 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -139.8 | 142.9 | 171 | -63.1 | -176.3 | 20.1 | 0 | 0 | 111 | V177 G182 | V177-Q180 HydrophobicContact CB-CB 4.45Å; V177-Q180 HydrophobicContact CG1-CB 4.49Å; V177-Q180 PolarHBondContact O-N 2.96Å; V177-Q180 VanDerWaalsContact O-O 3.13Å; Q180-G182 PolarHBondContact O-N 3.43Å |
| 181 | E | 63.7 | Low | 81.8 | Confident | 216 Ų | 216 | 81.1 Ų | 81.1 | 100% | 1.009 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -68.1 | 17.3 | 172.9 | -69.1 | -174.8 | 159.1 | 0 | 0 | 113.5 | ||
| 182 | G | 69.1 | Low | 81.5 | Confident | 33 Ų | 33 | 81 Ų | 81 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | trans | -98.9 | 150.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V177 Q180 | V177-G182 PolarHBondContact N-O 3.43Å; Q180-G182 PolarHBondContact O-N 3.43Å | ||
| 183 | Q | 78.1 | Confident | 81 | Confident | 158 Ų | 158 | 76.9 Ų | 76.9 | 74% | 0.738 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.3 | 168.5 | -74.5 | -177.4 | -2.3 | 0 | 0 | 109.3 | T174 | T174-Q183 HydrophobicContact CG2-CB 3.58Å; T174-Q183 HydrophobicContact CG2-CG 4.12Å |
| 184 | E | 85 | Confident | 80.5 | Confident | 29 Ų | 29 | 78.5 Ų | 78.5 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 148.8 | 176.9 | -78 | -176.9 | 169.4 | 0 | 0 | 111.5 | K145 T174 L175 V177 F186 | K145-E184 VanDerWaalsContact CE-OE1 3.26Å; K145-E184 WeakPolarHBondContact CE-OE1 3.48Å; K145-E184 WeakPolarHBondContact CE-OE2 3.49Å; K145-E184 IonicContact NZ-OE1 2.59Å; K145-E184 PolarHBondContact NZ-OE1 2.6Å; K145-E184 IonicContact NZ-OE2 2.74Å; K145-E184 PolarHBondContact NZ-OE2 3.36Å; T174-E184 CarbonylContact C-O 3.52Å; T174-E184 WeakPolarHBondContact CA-O 3.21Å; L175-E184 PolarHBondContact N-O 2.9Å; L175-E184 PolarHBondContact O-N 3.34Å; V177-E184 HydrophobicContact CG2-CB 3.75Å; V177-E184 HydrophobicContact CG2-CG 3.35Å; V177-E184 WeakPolarHBondContact CG2-OE2 3.42Å; E184-F186 HydrophobicContact CB-CD2 4.34Å; E184-F186 HydrophobicContact CB-CE2 3.63Å; E184-F186 HydrophobicContact CB-CZ 4.36Å |
| 185 | E | 89.5 | Confident | 80.2 | Confident | 64 Ų | 64 | 79 Ų | 79 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.9 | -176.7 | -61.6 | -173.2 | 144.5 | 0 | 0 | 109.4 | L146 Q147 K172 | L146-E185 HydrophobicContact CB-CB 4.28Å; L146-E185 WeakPolarHBondContact CD1-O 3.38Å; L146-E185 HydrophobicContact CD2-CB 4.1Å; L146-E185 PolarHBondContact N-O 3.35Å; Q147-E185 PolarHBondContact OE1-O 3.35Å; K172-E185 WeakPolarHBondContact CE-OE1 3.25Å; K172-E185 WeakPolarHBondContact CE-OE2 3.49Å; K172-E185 IonicContact NZ-OE1 3.28Å; K172-E185 PolarHBondContact NZ-OE1 3.33Å; K172-E185 IonicContact NZ-OE2 3.4Å; K172-E185 PolarHBondContact NZ-OE2 3.48Å |
| 186 | F | 90.6 | Very high | 80.3 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 16% | 0.162 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.9 | 178.5 | -69.1 | -97.2 | 0 | 0 | 0 | 110.6 | I144 K145 K172 V173 L175 E184 V188 | I144-F186 CarbonylContact O-C 3.5Å; I144-F186 VanDerWaalsContact O-CA 3.31Å; I144-F186 WeakPolarHBondContact O-CA 3.46Å; K145-F186 HydrophobicContact CB-CD1 3.93Å; K145-F186 HydrophobicContact CB-CE1 3.56Å; K145-F186 HydrophobicContact CB-CZ 4.24Å; K145-F186 HydrophobicContact CD-CE1 4.2Å; K145-F186 HydrophobicContact CD-CZ 4.12Å; K145-F186 HydrophobicContact CG-CE1 3.92Å; K145-F186 HydrophobicContact CG-CZ 4.09Å; K172-F186 WeakPolarHBondContact CA-O 3.38Å; V173-F186 PolarHBondContact N-O 3Å; V173-F186 PolarHBondContact O-N 2.97Å; L175-F186 HydrophobicContact CB-CD2 3.98Å; L175-F186 HydrophobicContact CB-CE2 4.18Å; L175-F186 HydrophobicContact CD1-CB 4.4Å; L175-F186 HydrophobicContact CD1-CD2 3.94Å; L175-F186 HydrophobicContact CD1-CE2 4.48Å; L175-F186 HydrophobicContact CD1-CG 4.21Å; L175-F186 HydrophobicContact CG-CD2 4.2Å; E184-F186 HydrophobicContact CB-CD2 4.34Å; E184-F186 HydrophobicContact CB-CE2 3.63Å; E184-F186 HydrophobicContact CB-CZ 4.36Å; F186-V188 HydrophobicContact CB-CG2 4.11Å |
| 187 | Y | 92.9 | Very high | 80.3 | Confident | 2 Ų | 2 | 79.4 Ų | 79.4 | 1% | 0.008 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.1 | 158.7 | -86.1 | -56.2 | 0 | 0 | 0 | 108.2 | K143 I144 L146 F151 H162 F165 E166 F170 K172 | K143-Y187 CarbonylContact C-O 3.52Å; K143-Y187 WeakPolarHBondContact CA-O 3.31Å; I144-Y187 PolarHBondContact N-O 2.9Å; I144-Y187 PolarHBondContact O-N 3.32Å; L146-Y187 HydrophobicContact CD1-CD2 3.36Å; L146-Y187 HydrophobicContact CD1-CE2 3.88Å; L146-Y187 HydrophobicContact CD1-CG 3.85Å; L146-Y187 VanDerWaalsContact CD1-N 3.29Å; L146-Y187 HydrophobicContact CD2-CD2 4.4Å; L146-Y187 HydrophobicContact CD2-CE2 4.06Å; L146-Y187 HydrophobicContact CG-CD2 3.99Å; L146-Y187 HydrophobicContact CG-CE2 4.05Å; F151-Y187 HydrophobicContact CE2-CD2 4.3Å; F151-Y187 AromaticContact CZ-CD2 3.98Å; F151-Y187 HydrophobicContact CZ-CD2 3.98Å; F151-Y187 AromaticContact CZ-CE2 3.87Å; F151-Y187 HydrophobicContact CZ-CE2 3.87Å; H162-Y187 WeakPolarHBondContact CB-OH 3.49Å; H162-Y187 AromaticContact ND1-CE2 3.76Å; H162-Y187 AromaticContact ND1-CZ 3.75Å; H162-Y187 PolarHBondContact ND1-OH 3.44Å; F165-Y187 HydrophobicContact CB-CD1 4.33Å; F165-Y187 HydrophobicContact CB-CD2 4.44Å; F165-Y187 HydrophobicContact CB-CE1 4.16Å; F165-Y187 HydrophobicContact CB-CE2 4.3Å; F165-Y187 HydrophobicContact CB-CG 4.48Å; F165-Y187 HydrophobicContact CD2-CE2 4.37Å; F165-Y187 HydrophobicContact CG-CD2 4.36Å; F165-Y187 HydrophobicContact CG-CE2 4.43Å; E166-Y187 HydrophobicContact CG-CE1 4.3Å; F170-Y187 HydrophobicContact CB-CD1 3.84Å; F170-Y187 HydrophobicContact CB-CG 4.27Å; K172-Y187 HydrophobicContact CB-CD1 4.31Å; K172-Y187 HydrophobicContact CB-CE1 3.97Å |
| 188 | V | 92.2 | Very high | 80.9 | Confident | 27 Ų | 27 | 85.7 Ų | 85.7 | 16% | 0.164 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.6 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | Q142 K143 F170 K171 V173 F186 G190 | Q142-V188 WeakPolarHBondContact O-CA 3.45Å; K143-V188 HydrophobicContact CG-CG1 4.28Å; K143-V188 HydrophobicContact CG-CG2 4.21Å; F170-V188 CarbonylContact C-O 3.59Å; F170-V188 WeakPolarHBondContact CA-O 3.47Å; K171-V188 PolarHBondContact N-O 2.95Å; K171-V188 PolarHBondContact O-N 3.42Å; V173-V188 HydrophobicContact CB-CG2 4.3Å; V173-V188 HydrophobicContact CG2-CG2 4.29Å; F186-V188 HydrophobicContact CB-CG2 4.11Å; V188-G190 PolarHBondContact O-N 3.06Å |
| 189 | L | 90.2 | Very high | 82.2 | Confident | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.016 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 120.7 | 177.2 | -172.7 | 68.5 | 0 | 0 | 0 | 110.1 | I132 Q142 F170 A193 R194 L200 | I132-L189 HydrophobicContact CG2-CD2 3.95Å; Q142-L189 HydrophobicContact CB-CB 4.3Å; Q142-L189 PolarHBondContact O-N 3.09Å; F170-L189 HydrophobicContact CD1-CB 4.22Å; F170-L189 HydrophobicContact CD2-CD1 3.93Å; F170-L189 HydrophobicContact CE1-CB 4.03Å; F170-L189 HydrophobicContact CE1-CD1 4.42Å; F170-L189 HydrophobicContact CE2-CD1 3.75Å; F170-L189 HydrophobicContact CG-CD1 4.35Å; F170-L189 HydrophobicContact CZ-CB 4.35Å; F170-L189 HydrophobicContact CZ-CD1 4.03Å; L189-A193 HydrophobicContact CD1-CB 3.57Å; L189-A193 HydrophobicContact CG-CB 4.1Å; L189-R194 HydrophobicContact CD2-CG 3.76Å; L189-R194 HydrophobicContact CG-CG 4.03Å; L189-R194 PolarHBondContact O-NE 3.24Å; L189-R194 PolarHBondContact O-NH2 3.01Å; L189-R194 VanDerWaalsContact O-NH2 3.11Å; L189-L200 HydrophobicContact CD1-CD1 4.42Å; L189-L200 HydrophobicContact CD1-CD2 4.34Å; L189-L200 HydrophobicContact CD2-CD1 4.02Å |
| 190 | G | 88.7 | Confident | 83.2 | Confident | 11 Ų | 11 | 76 Ų | 76 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | trans | -67.1 | 157.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G169 V188 D192 A193 R194 | G169-G190 PolarHBondContact O-N 3.04Å; V188-G190 PolarHBondContact O-N 3.06Å; G190-D192 VanDerWaalsContact C-N 3.28Å; G190-D192 PolarHBondContact O-N 2.83Å; G190-A193 PolarHBondContact O-N 3.42Å; G190-R194 WeakPolarHBondContact O-CG 3.35Å; G190-R194 PolarHBondContact O-N 3Å | ||
| 191 | E | 85.1 | Confident | 84.3 | Confident | 161 Ų | 161 | 71.6 Ų | 71.6 | 75% | 0.752 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.2 | -37.2 | -177.7 | -63.7 | -179.6 | 170.7 | 0 | 0 | 112.7 | A193 R194 A195 | E191-A193 PolarHBondContact O-N 2.89Å; E191-R194 WeakPolarHBondContact O-CB 3.49Å; E191-R194 PolarHBondContact O-N 2.82Å; E191-A195 PolarHBondContact O-N 3.39Å |
| 192 | D | 84.5 | Confident | 85.7 | Confident | 126 Ų | 126 | 68.9 Ų | 68.9 | 67% | 0.674 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 178.9 | -55.1 | -50.4 | 0 | 0 | 0 | 112.4 | G190 A195 | G190-D192 VanDerWaalsContact C-N 3.28Å; G190-D192 PolarHBondContact O-N 2.83Å; D192-A195 PolarHBondContact O-N 3.27Å |
| 193 | A | 82.1 | Confident | 86.8 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.2 | -30.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L189 G190 E191 A195 Q196 | L189-A193 HydrophobicContact CD1-CB 3.57Å; L189-A193 HydrophobicContact CG-CB 4.1Å; G190-A193 PolarHBondContact O-N 3.42Å; E191-A193 PolarHBondContact O-N 2.89Å; A193-A195 VanDerWaalsContact C-N 3.33Å; A193-Q196 CarbonylContact O-C 3.55Å; A193-Q196 PolarHBondContact O-N 3.18Å |
| 194 | R | 80.8 | Confident | 87.5 | Confident | 87 Ų | 87 | 63.3 Ų | 63.3 | 33% | 0.328 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 172.7 | -66.7 | 175.7 | -166.9 | -158.8 | -3.8 | 112 | L189 G190 E191 Q196 | L189-R194 HydrophobicContact CD2-CG 3.76Å; L189-R194 HydrophobicContact CG-CG 4.03Å; L189-R194 PolarHBondContact O-NE 3.24Å; L189-R194 PolarHBondContact O-NH2 3.01Å; L189-R194 VanDerWaalsContact O-NH2 3.11Å; G190-R194 WeakPolarHBondContact O-CG 3.35Å; G190-R194 PolarHBondContact O-N 3Å; E191-R194 WeakPolarHBondContact O-CB 3.49Å; E191-R194 PolarHBondContact O-N 2.82Å; R194-Q196 PolarHBondContact O-N 3.48Å |
| 195 | A | 82.4 | Confident | 87.9 | Confident | 80 Ų | 80 | 66.5 Ų | 66.5 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.2 | -19.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | E191 D192 A193 P197 | E191-A195 PolarHBondContact O-N 3.39Å; D192-A195 PolarHBondContact O-N 3.27Å; A193-A195 VanDerWaalsContact C-N 3.33Å; A195-P197 WeakPolarHBondContact O-CD 3.47Å |
| 196 | Q | 84.5 | Confident | 88.1 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | trans | -126.9 | 66.5 | -175.4 | -62.2 | -176.9 | -10.9 | 0 | 0 | 112.5 | A193 R194 Q198 N199 | A193-Q196 CarbonylContact O-C 3.55Å; A193-Q196 PolarHBondContact O-N 3.18Å; R194-Q196 PolarHBondContact O-N 3.48Å; Q196-Q198 PolarHBondContact O-N 2.64Å; Q196-Q198 VanDerWaalsContact O-N 3.13Å; Q196-N199 PolarHBondContact O-N 2.83Å; Q196-N199 VanDerWaalsContact O-N 3.1Å; Q196-N199 PolarHBondContact OE1-ND2 3.4Å | ||
| 197 | P | 80.7 | Confident | 88.2 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -24.4 | -176.4 | 26.1 | -35.3 | 0 | 0 | 0 | 113.7 | A195 N199 L200 A201 | A195-P197 WeakPolarHBondContact O-CD 3.47Å; P197-N199 VanDerWaalsContact C-N 3.26Å; P197-N199 PolarHBondContact O-N 3.05Å; P197-L200 PolarHBondContact O-N 2.91Å; P197-A201 PolarHBondContact O-N 3.03Å |
| 198 | Q | 85.3 | Confident | 88.2 | Confident | 163 Ų | 163 | 67.6 Ų | 67.6 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.3 | -32.7 | 177.2 | -61.3 | -179.2 | 15.8 | 0 | 0 | 112.2 | Q196 A201 R202 | Q196-Q198 PolarHBondContact O-N 2.64Å; Q196-Q198 VanDerWaalsContact O-N 3.13Å; Q198-A201 PolarHBondContact O-N 2.91Å; Q198-R202 PolarHBondContact O-N 3.43Å |
| 199 | N | 89.4 | Confident | 88.2 | Confident | 60 Ų | 60 | 71.4 Ų | 71.4 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 178.1 | -70.3 | -14.2 | 0 | 0 | 0 | 111.2 | Q196 P197 A201 R202 H203 | Q196-N199 PolarHBondContact O-N 2.83Å; Q196-N199 VanDerWaalsContact O-N 3.1Å; Q196-N199 PolarHBondContact OE1-ND2 3.4Å; P197-N199 VanDerWaalsContact C-N 3.26Å; P197-N199 PolarHBondContact O-N 3.05Å; N199-A201 VanDerWaalsContact C-N 3.32Å; N199-A201 PolarHBondContact O-N 3.04Å; N199-R202 WeakPolarHBondContact O-CB 3.44Å; N199-R202 PolarHBondContact O-N 2.79Å; N199-R202 VanDerWaalsContact O-N 3.17Å; N199-H203 WeakPolarHBondContact O-CB 3.34Å; N199-H203 PolarHBondContact O-CD2 2.96Å; N199-H203 PolarHBondContact O-N 3.05Å |
| 200 | L | 87.3 | Confident | 88.3 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 177.1 | -64.5 | 170.3 | 0 | 0 | 0 | 111.7 | L129 I132 I168 L189 P197 H203 K204 | L129-L200 HydrophobicContact CD2-CD2 4.31Å; I132-L200 HydrophobicContact CG2-CD1 4.26Å; I168-L200 HydrophobicContact CB-CD2 4.29Å; L189-L200 HydrophobicContact CD1-CD1 4.42Å; L189-L200 HydrophobicContact CD1-CD2 4.34Å; L189-L200 HydrophobicContact CD2-CD1 4.02Å; P197-L200 PolarHBondContact O-N 2.91Å; L200-H203 PolarHBondContact O-N 3.19Å; L200-K204 WeakPolarHBondContact O-CB 3.43Å; L200-K204 PolarHBondContact O-N 3.23Å |
| 201 | A | 89.2 | Confident | 88.3 | Confident | 43 Ų | 43 | 79.8 Ų | 79.8 | 36% | 0.355 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P197 Q198 N199 K204 Q205 | P197-A201 PolarHBondContact O-N 3.03Å; Q198-A201 PolarHBondContact O-N 2.91Å; N199-A201 VanDerWaalsContact C-N 3.32Å; N199-A201 PolarHBondContact O-N 3.04Å; A201-K204 WeakPolarHBondContact O-CB 3.46Å; A201-K204 PolarHBondContact O-N 3.01Å; A201-Q205 PolarHBondContact O-N 3.31Å |
| 202 | R | 92.3 | Very high | 88.6 | Confident | 160 Ų | 160 | 73.6 Ų | 73.6 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 174.7 | -178.3 | -179 | 174.2 | -174.9 | -1.5 | 112 | Q198 N199 K204 Q205 Q206 | Q198-R202 PolarHBondContact O-N 3.43Å; N199-R202 WeakPolarHBondContact O-CB 3.44Å; N199-R202 PolarHBondContact O-N 2.79Å; N199-R202 VanDerWaalsContact O-N 3.17Å; R202-K204 VanDerWaalsContact C-N 3.35Å; R202-K204 PolarHBondContact O-N 2.95Å; R202-Q205 PolarHBondContact O-N 3.4Å; R202-Q206 WeakPolarHBondContact O-CG 3.33Å; R202-Q206 PolarHBondContact O-N 3.26Å |
| 203 | H | 92.2 | Very high | 88.8 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 180 | -63.3 | -38.4 | 0 | 0 | 0 | 112.4 | V101 I168 N199 L200 Q206 L207 | V101-H203 HydrophobicContact CG1-CB 4.31Å; I168-H203 HydrophobicContact CG2-CB 3.91Å; N199-H203 WeakPolarHBondContact O-CB 3.34Å; N199-H203 PolarHBondContact O-CD2 2.96Å; N199-H203 PolarHBondContact O-N 3.05Å; L200-H203 PolarHBondContact O-N 3.19Å; H203-Q206 PolarHBondContact ND1-OE1 3.43Å; H203-Q206 PolarHBondContact O-N 3.24Å; H203-L207 WeakPolarHBondContact O-CB 3.27Å; H203-L207 PolarHBondContact O-N 3.4Å |
| 204 | K | 92.4 | Very high | 89.1 | Confident | 43 Ų | 43 | 75.9 Ų | 75.9 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.6 | -50.4 | 169.1 | 179.2 | -163.8 | 171 | -167.8 | 0 | 110.7 | A126 L129 D130 L200 A201 R202 Q206 L207 L208 | A126-K204 HydrophobicContact CB-CG 4.19Å; L129-K204 HydrophobicContact CB-CB 4.48Å; L129-K204 HydrophobicContact CD1-CB 3.84Å; L129-K204 HydrophobicContact CD1-CG 4.44Å; D130-K204 WeakPolarHBondContact OD1-CE 3.43Å; D130-K204 IonicContact OD1-NZ 2.91Å; D130-K204 PolarHBondContact OD1-NZ 2.59Å; D130-K204 WeakPolarHBondContact OD2-CE 3.47Å; D130-K204 IonicContact OD2-NZ 3.57Å; D130-K204 PolarHBondContact OD2-NZ 3.44Å; L200-K204 WeakPolarHBondContact O-CB 3.43Å; L200-K204 PolarHBondContact O-N 3.23Å; A201-K204 WeakPolarHBondContact O-CB 3.46Å; A201-K204 PolarHBondContact O-N 3.01Å; R202-K204 VanDerWaalsContact C-N 3.35Å; R202-K204 PolarHBondContact O-N 2.95Å; K204-Q206 PolarHBondContact O-N 2.95Å; K204-L207 PolarHBondContact O-N 2.9Å; K204-L208 HydrophobicContact CG-CD1 4.13Å; K204-L208 WeakPolarHBondContact O-CG 3.48Å; K204-L208 PolarHBondContact O-N 3.39Å; K204-L208 VanDerWaalsContact O-N 3.11Å |
| 205 | Q | 93.3 | Very high | 89.5 | Confident | 95 Ų | 95 | 72.4 Ų | 72.4 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | -178.5 | -167.6 | 60.5 | 31.6 | 0 | 0 | 111.6 | A201 R202 L207 L208 D209 | A201-Q205 PolarHBondContact O-N 3.31Å; R202-Q205 PolarHBondContact O-N 3.4Å; Q205-L207 VanDerWaalsContact C-N 3.29Å; Q205-L207 PolarHBondContact O-N 2.78Å; Q205-L208 PolarHBondContact O-N 2.88Å; Q205-D209 WeakPolarHBondContact CG-OD2 3.15Å; Q205-D209 PolarHBondContact NE2-OD1 2.69Å; Q205-D209 PolarHBondContact NE2-OD2 3.15Å; Q205-D209 WeakPolarHBondContact O-CB 3.37Å; Q205-D209 PolarHBondContact O-N 3.38Å |
| 206 | Q | 93.4 | Very high | 90 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 27% | 0.271 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 174.4 | -71.7 | 176.3 | -48.3 | 0 | 0 | 112.5 | I105 R202 H203 K204 A210 | I105-Q206 HydrophobicContact CD1-CB 3.7Å; R202-Q206 WeakPolarHBondContact O-CG 3.33Å; R202-Q206 PolarHBondContact O-N 3.26Å; H203-Q206 PolarHBondContact ND1-OE1 3.43Å; H203-Q206 PolarHBondContact O-N 3.24Å; K204-Q206 PolarHBondContact O-N 2.95Å; Q206-A210 WeakPolarHBondContact O-CB 3.46Å; Q206-A210 PolarHBondContact O-N 3.44Å |
| 207 | L | 93 | Very high | 90.4 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 178.8 | -177.2 | 69.6 | 0 | 0 | 0 | 112.3 | I105 I108 H109 V122 I125 F164 H203 K204 Q205 | I105-L207 HydrophobicContact CB-CD1 4.47Å; I105-L207 HydrophobicContact CD1-CB 4.47Å; I105-L207 HydrophobicContact CG1-CB 4.45Å; I105-L207 HydrophobicContact CG1-CD1 3.94Å; I105-L207 HydrophobicContact CG2-CD1 4.26Å; I108-L207 HydrophobicContact CD1-CD1 4.11Å; H109-L207 PolarHBondContact NE2-O 3.37Å; V122-L207 HydrophobicContact CB-CD2 4.5Å; V122-L207 HydrophobicContact CB-CG 4.48Å; V122-L207 HydrophobicContact CG1-CD2 4.09Å; V122-L207 HydrophobicContact CG1-CG 3.89Å; V122-L207 HydrophobicContact CG2-CD1 4.09Å; V122-L207 HydrophobicContact CG2-CD2 4.33Å; V122-L207 HydrophobicContact CG2-CG 4.05Å; I125-L207 HydrophobicContact CB-CD2 4.03Å; I125-L207 HydrophobicContact CD1-CD2 4.29Å; I125-L207 HydrophobicContact CG2-CD2 3.7Å; F164-L207 HydrophobicContact CE1-CD2 4.03Å; F164-L207 HydrophobicContact CE2-CB 4.49Å; F164-L207 HydrophobicContact CE2-CD1 4.38Å; F164-L207 HydrophobicContact CZ-CB 4.26Å; F164-L207 HydrophobicContact CZ-CD1 4.49Å; F164-L207 HydrophobicContact CZ-CD2 3.98Å; F164-L207 HydrophobicContact CZ-CG 4.47Å; H203-L207 WeakPolarHBondContact O-CB 3.27Å; H203-L207 PolarHBondContact O-N 3.4Å; K204-L207 PolarHBondContact O-N 2.9Å; Q205-L207 VanDerWaalsContact C-N 3.29Å; Q205-L207 PolarHBondContact O-N 2.78Å |
| 208 | L | 93.1 | Very high | 90.9 | Very high | 67 Ų | 67 | 65.7 Ų | 65.7 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.8 | -42.4 | -179.6 | -71.9 | 170.6 | 0 | 0 | 0 | 112.7 | V122 A126 K204 Q205 A210 | V122-L208 HydrophobicContact CG1-CD2 3.74Å; A126-L208 HydrophobicContact CB-CD2 4.29Å; K204-L208 HydrophobicContact CG-CD1 4.13Å; K204-L208 WeakPolarHBondContact O-CG 3.48Å; K204-L208 PolarHBondContact O-N 3.39Å; K204-L208 VanDerWaalsContact O-N 3.11Å; Q205-L208 PolarHBondContact O-N 2.88Å; L208-A210 VanDerWaalsContact C-N 3.3Å |
| 209 | D | 92.9 | Very high | 91.2 | Very high | 108 Ų | 108 | 61 Ų | 61 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -82 | -10.7 | -177.2 | -65.2 | -19.2 | 0 | 0 | 0 | 112.9 | Q205 | Q205-D209 WeakPolarHBondContact CG-OD2 3.15Å; Q205-D209 PolarHBondContact NE2-OD1 2.69Å; Q205-D209 PolarHBondContact NE2-OD2 3.15Å; Q205-D209 WeakPolarHBondContact O-CB 3.37Å; Q205-D209 PolarHBondContact O-N 3.38Å |
| 210 | A | 91.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 59.5 Ų | 59.5 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | trans | -69.5 | 140.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I105 H109 Q206 L208 | I105-A210 HydrophobicContact CG2-CB 3.24Å; H109-A210 PolarHBondContact CE1-O 3.46Å; H109-A210 VanDerWaalsContact CE1-O 3.3Å; H109-A210 PolarHBondContact NE2-O 3.43Å; Q206-A210 WeakPolarHBondContact O-CB 3.46Å; Q206-A210 PolarHBondContact O-N 3.44Å; L208-A210 VanDerWaalsContact C-N 3.3Å | ||
| 211 | E | 90.1 | Very high | 91.3 | Very high | 163 Ų | 163 | 61.8 Ų | 61.8 | 76% | 0.762 | 30% | 0.303 | S | S | * | . | trans | -109.9 | 154.8 | 173.4 | -68.6 | -168.8 | 165.5 | 0 | 0 | 111.1 | V213 | E211-V213 PolarHBondContact O-N 2.93Š| ||
| 212 | P | 90.3 | Very high | 91.3 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 20% | 0.201 | 30% | 0.299 | C | S | . | . | trans | -60.9 | 135.3 | 173 | 24 | -34.1 | 0 | 0 | 0 | 112.5 | H109 R115 R214 | H109-P212 WeakPolarHBondContact O-CB 3.48Å; R115-P212 VanDerWaalsContact NH2-CB 3.34Å; P212-R214 PolarHBondContact O-N 2.9Å | ||
| 213 | V | 89.7 | Confident | 91.2 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | trans | -69.9 | 115.4 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | P73 L74 I88 I92 M106 T110 E211 | P73-V213 HydrophobicContact CG-CG1 3.6Å; L74-V213 HydrophobicContact CD1-CG1 4.03Å; L74-V213 HydrophobicContact CG-CG1 3.99Å; I88-V213 HydrophobicContact CG2-CB 4.3Å; I88-V213 HydrophobicContact CG2-CG1 4.1Å; I92-V213 HydrophobicContact CD1-CB 4.37Å; I92-V213 HydrophobicContact CD1-CG2 4.32Å; M106-V213 HydrophobicContact CB-CG2 4.05Å; M106-V213 HydrophobicContact CG-CG2 3.78Å; M106-V213 HydrophobicContact SD-CG2 3.76Å; T110-V213 HydrophobicContact CG2-CB 4.27Å; T110-V213 WeakPolarHBondContact CG2-O 3.32Å; T110-V213 PolarHBondContact OG1-N 2.74Å; E211-V213 PolarHBondContact O-N 2.93Å | ||
| 214 | R | 88 | Confident | 91.1 | Very high | 168 Ų | 168 | 55 Ų | 55 | 63% | 0.634 | 27% | 0.268 | S | S | * | . | trans | -122.8 | 135.6 | 178.2 | -65.4 | -179.3 | -178.8 | 179.7 | 3.4 | 109.8 | P212 T216 | P212-R214 PolarHBondContact O-N 2.9Å; R214-T216 PolarHBondContact O-N 3.3Å | ||
| 215 | A | 89.4 | Confident | 90.7 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 12% | 0.116 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 132.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F70 I71 R84 I88 | F70-A215 HydrophobicContact CB-CB 3.86Å; I71-A215 CarbonylContact O-C 3.48Å; I71-A215 VanDerWaalsContact O-CA 3.3Å; I71-A215 WeakPolarHBondContact O-CA 3.36Å; R84-A215 HydrophobicContact CB-CB 4.39Å; R84-A215 HydrophobicContact CG-CB 4.48Å; I88-A215 HydrophobicContact CD1-CB 4.03Å |
| 216 | T | 91.9 | Very high | 90.1 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 152 | 176.2 | 53.6 | 0 | 0 | 0 | 0 | 109.3 | F70 I71 R214 D218 | F70-T216 CarbonylContact C-O 3.55Å; F70-T216 WeakPolarHBondContact CA-O 3.45Å; F70-T216 VanDerWaalsContact CB-O 3.3Å; F70-T216 WeakPolarHBondContact CB-O 3.43Å; I71-T216 PolarHBondContact N-O 3.18Å; I71-T216 PolarHBondContact O-N 3.47Å; I71-T216 PolarHBondContact O-OG1 3.26Å; R214-T216 PolarHBondContact O-N 3.3Å; T216-D218 PolarHBondContact O-N 3.2Å |
| 217 | L | 92.4 | Very high | 89.2 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.5 | 175.5 | -179.9 | 70.4 | 0 | 0 | 0 | 108.9 | V68 F69 F70 R219 Y283 Y301 | V68-L217 HydrophobicContact CG1-CD1 3.52Å; F69-L217 WeakPolarHBondContact O-CD1 3.17Å; F70-L217 HydrophobicContact CD1-CB 4.44Å; F70-L217 HydrophobicContact CD1-CD1 4.16Å; F70-L217 HydrophobicContact CE1-CB 4.44Å; F70-L217 HydrophobicContact CE1-CD1 3.69Å; F70-L217 HydrophobicContact CZ-CD1 4Å; L217-R219 PolarHBondContact O-N 3.24Å; L217-Y283 HydrophobicContact CD1-CD1 4.2Å; L217-Y283 HydrophobicContact CD1-CE1 4.01Å; L217-Y283 HydrophobicContact CD2-CD1 4.4Å; L217-Y301 HydrophobicContact CB-CD2 4.14Å; L217-Y301 HydrophobicContact CB-CE2 3.42Å; L217-Y301 VanDerWaalsContact CB-CE2 3.42Å; L217-Y301 HydrophobicContact CD2-CD1 4.44Å; L217-Y301 HydrophobicContact CD2-CD2 3.79Å; L217-Y301 HydrophobicContact CD2-CE2 3.89Å; L217-Y301 HydrophobicContact CD2-CG 4.1Å; L217-Y301 HydrophobicContact CG-CE2 4.21Å |
| 218 | D | 92.1 | Very high | 88.2 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 122.8 | 169.3 | -169.6 | -9.1 | 0 | 0 | 0 | 108.3 | F69 I71 T78 T216 Q220 | F69-D218 HydrophobicContact CB-CB 4.01Å; F69-D218 WeakPolarHBondContact O-CB 3.38Å; F69-D218 PolarHBondContact O-N 3.05Å; I71-D218 HydrophobicContact CD1-CB 4.15Å; I71-D218 HydrophobicContact CG1-CB 3.84Å; T78-D218 HydrophobicContact CG2-CB 4.48Å; T78-D218 VanDerWaalsContact CG2-OD2 3.28Å; T78-D218 WeakPolarHBondContact CG2-OD2 3.45Å; T216-D218 PolarHBondContact O-N 3.2Å; D218-Q220 HydrophobicContact CB-CG 4.12Å; D218-Q220 PolarHBondContact O-N 3.08Å; D218-Q220 PolarHBondContact OD1-N 3.45Å |
| 219 | R | 92.4 | Very high | 87.1 | Confident | 63 Ų | 63 | 64.6 Ų | 64.6 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | trans | -67.4 | -27.1 | 176.7 | -57.9 | -58.4 | 175.7 | -172.8 | -6.7 | 111.8 | L217 L221 G298 T299 E304 F312 | L217-R219 PolarHBondContact O-N 3.24Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.47Å; R219-G298 WeakPolarHBondContact O-CA 3.36Å; R219-T299 WeakPolarHBondContact CD-O 3.44Å; R219-T299 PolarHBondContact NH1-O 3.4Å; R219-T299 PolarHBondContact O-N 3.16Å; R219-E304 IonicContact CZ-OE1 3.27Å; R219-E304 VanDerWaalsContact CZ-OE1 3.28Å; R219-E304 IonicContact CZ-OE2 3.2Å; R219-E304 IonicContact NH1-OE1 2.68Å; R219-E304 PolarHBondContact NH1-OE1 3Å; R219-E304 IonicContact NH1-OE2 2.62Å; R219-E304 PolarHBondContact NH1-OE2 3.17Å; R219-E304 IonicContact NH2-OE1 3.18Å; R219-E304 PolarHBondContact NH2-OE1 3.01Å; R219-E304 IonicContact NH2-OE2 3.58Å; R219-E304 PolarHBondContact NH2-OE2 3.19Å; R219-F312 HydrophobicContact CB-CD2 4.07Å; R219-F312 HydrophobicContact CB-CE2 3.64Å; R219-F312 HydrophobicContact CG-CD2 3.93Å; R219-F312 HydrophobicContact CG-CE2 4.05Å | ||
| 220 | Q | 88.3 | Confident | 85.9 | Confident | 29 Ų | 29 | 62 Ų | 62 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | trans | 47 | 59.1 | -171.1 | -56.4 | -166.3 | -68.5 | 0 | 0 | 110.8 | V65 G67 F69 D218 R222 | V65-Q220 VanDerWaalsContact CG1-OE1 3.32Å; G67-Q220 PolarHBondContact O-OE1 3.27Å; F69-Q220 HydrophobicContact CD2-CG 4.41Å; D218-Q220 HydrophobicContact CB-CG 4.12Å; D218-Q220 PolarHBondContact O-N 3.08Å; D218-Q220 PolarHBondContact OD1-N 3.45Å; Q220-R222 PolarHBondContact O-N 3.45Å; Q220-R222 VanDerWaalsContact O-N 3.12Å | ||
| 221 | L | 90.3 | Very high | 84.8 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | trans | -56.5 | 120 | 178.4 | -171.5 | 160.5 | 0 | 0 | 0 | 108.6 | R219 V223 L296 Q297 F312 A316 L381 | R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.47Å; L221-V223 HydrophobicContact CD2-CG2 4.01Å; L221-L296 HydrophobicContact CD1-CD1 4.09Å; L221-L296 HydrophobicContact CD2-CD1 3.61Å; L221-L296 HydrophobicContact CG-CD1 3.7Å; L221-Q297 WeakPolarHBondContact CA-O 3.5Å; L221-F312 HydrophobicContact CB-CE2 3.85Å; L221-F312 HydrophobicContact CB-CZ 4Å; L221-F312 HydrophobicContact CD1-CE2 3.74Å; L221-F312 HydrophobicContact CD1-CZ 3.89Å; L221-F312 HydrophobicContact CG-CE2 3.89Å; L221-F312 HydrophobicContact CG-CZ 3.72Å; L221-A316 HydrophobicContact CD1-CB 4.1Å; L221-L381 HydrophobicContact CD1-CD1 4.29Å; L221-L381 HydrophobicContact CD2-CD1 4.03Å; L221-L381 HydrophobicContact CD2-CD2 3.58Å; L221-L381 HydrophobicContact CD2-CG 4.39Å | ||
| 222 | R | 89.2 | Confident | 84 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.9 | 174.1 | -67.2 | -174.6 | -175.4 | -152.1 | 1.5 | 110 | Q220 F224 Q297 E386 | Q220-R222 PolarHBondContact O-N 3.45Å; Q220-R222 VanDerWaalsContact O-N 3.12Å; R222-F224 HydrophobicContact CB-CD2 4.46Å; R222-F224 HydrophobicContact CB-CE2 3.67Å; R222-F224 HydrophobicContact CB-CZ 3.81Å; R222-F224 HydrophobicContact CG-CZ 4.48Å; R222-Q297 HydrophobicContact CB-CB 4.44Å; R222-Q297 PolarHBondContact N-O 3.28Å; R222-Q297 PolarHBondContact O-N 2.98Å; R222-E386 IonicContact NH1-OE1 2.6Å; R222-E386 IonicContact NH1-OE2 3.37Å; R222-E386 PolarHBondContact NH1-OE2 3.08Å |
| 223 | V | 90.7 | Very high | 83.1 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.1 | 175.5 | -173 | 0 | 0 | 0 | 0 | 108.4 | L221 C294 L295 L296 L377 L381 I385 E386 | L221-V223 HydrophobicContact CD2-CG2 4.01Å; V223-C294 HydrophobicContact CG1-CB 4.19Å; V223-L295 CarbonylContact C-O 3.52Å; V223-L295 WeakPolarHBondContact CA-O 3.28Å; V223-L296 HydrophobicContact CG2-CD1 3.87Å; V223-L377 HydrophobicContact CB-CD1 4.42Å; V223-L377 HydrophobicContact CG1-CD1 3.55Å; V223-L377 HydrophobicContact CG2-CD1 3.94Å; V223-L381 HydrophobicContact CG2-CB 4.09Å; V223-I385 HydrophobicContact CB-CG1 4.1Å; V223-I385 HydrophobicContact CG1-CD1 4.35Å; V223-I385 HydrophobicContact CG1-CG1 3.79Å; V223-I385 WeakPolarHBondContact O-CA 3.36Å; V223-E386 PolarHBondContact O-N 3.48Å |
| 224 | F | 88.3 | Confident | 82.6 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 7% | 0.07 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142 | 178.3 | -58 | -82.1 | 0 | 0 | 0 | 111.1 | R222 L295 Q297 E386 L388 | R222-F224 HydrophobicContact CB-CD2 4.46Å; R222-F224 HydrophobicContact CB-CE2 3.67Å; R222-F224 HydrophobicContact CB-CZ 3.81Å; R222-F224 HydrophobicContact CG-CZ 4.48Å; F224-L295 HydrophobicContact CB-CB 4.21Å; F224-L295 PolarHBondContact N-O 2.87Å; F224-L295 PolarHBondContact O-N 3.06Å; F224-Q297 HydrophobicContact CD2-CB 4.17Å; F224-Q297 HydrophobicContact CE2-CB 3.73Å; F224-Q297 HydrophobicContact CE2-CG 4.33Å; F224-E386 VanDerWaalsContact CA-O 3.28Å; F224-E386 WeakPolarHBondContact CA-O 3.05Å; F224-E386 HydrophobicContact CD1-CB 3.73Å; F224-E386 HydrophobicContact CE1-CB 3.81Å; F224-E386 VanDerWaalsContact CE1-OE2 3.25Å; F224-E386 WeakPolarHBondContact CE1-OE2 3.36Å; F224-L388 HydrophobicContact CB-CB 4.34Å; F224-L388 HydrophobicContact CB-CD1 3.76Å; F224-L388 HydrophobicContact CD1-CD1 3.85Å; F224-L388 HydrophobicContact CD2-CD1 4.21Å; F224-L388 HydrophobicContact CG-CD1 3.68Å |
| 225 | R | 85.6 | Confident | 82.4 | Confident | 142 Ų | 142 | 71.7 Ų | 71.7 | 54% | 0.536 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.9 | 165.1 | -164.7 | 172.8 | -173.5 | 90.4 | 0.9 | 109.3 | S227 I385 E386 L388 | R225-S227 PolarHBondContact O-N 3.03Å; R225-I385 HydrophobicContact CB-CG2 3.83Å; R225-E386 PolarHBondContact N-O 2.97Å; R225-L388 PolarHBondContact O-N 3.22Å |
| 226 | P | 79 | Confident | 82.3 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 129.5 | 174.3 | -18.7 | 29 | 0 | 0 | 0 | 110.6 | G293 | P226-G293 WeakPolarHBondContact CD-O 3.48Å; P226-G293 WeakPolarHBondContact CG-O 3.28Å |
| 227 | S | 76.1 | Confident | 82.1 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 28% | 0.28 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 136.6 | 167 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | R225 L229 A230 L388 | R225-S227 PolarHBondContact O-N 3.03Å; S227-L229 PolarHBondContact O-N 3.22Å; S227-L229 PolarHBondContact OG-N 3.11Å; S227-A230 WeakPolarHBondContact O-CB 3.38Å; S227-A230 PolarHBondContact O-N 2.88Å; S227-L388 WeakPolarHBondContact CB-O 3.45Å |
| 228 | A | 70.6 | Confident | 81.9 | Confident | 90 Ų | 90 | 81.4 Ų | 81.4 | 74% | 0.744 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -63.7 | -21.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A230 S231 | A228-A230 VanDerWaalsContact C-N 3.31Å; A228-S231 PolarHBondContact O-OG 2.94Å; A228-S231 VanDerWaalsContact O-OG 3.08Å |
| 229 | L | 70.1 | Confident | 81.7 | Confident | 129 Ų | 129 | 86.5 Ų | 86.5 | 68% | 0.675 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -72.6 | -25 | 177.8 | -67.4 | 163.3 | 0 | 0 | 0 | 112.4 | S227 S231 H232 | S227-L229 PolarHBondContact O-N 3.22Å; S227-L229 PolarHBondContact OG-N 3.11Å; L229-S231 PolarHBondContact O-N 3.23Å; L229-S231 VanDerWaalsContact O-N 3.17Å; L229-H232 PolarHBondContact O-N 2.85Å |
| 230 | A | 68.5 | Low | 81.5 | Confident | 54 Ų | 54 | 90.6 Ų | 90.6 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -65.2 | -22.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S227 A228 L388 | S227-A230 WeakPolarHBondContact O-CB 3.38Å; S227-A230 PolarHBondContact O-N 2.88Å; A228-A230 VanDerWaalsContact C-N 3.31Å; A230-L388 HydrophobicContact CB-CD2 4.35Å |
| 231 | S | 69.1 | Low | 81.6 | Confident | 93 Ų | 93 | 92.3 Ų | 92.3 | 65% | 0.65 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -88.2 | -8.4 | 174.5 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | A228 L229 | A228-S231 PolarHBondContact O-OG 2.94Å; A228-S231 VanDerWaalsContact O-OG 3.08Å; L229-S231 PolarHBondContact O-N 3.23Å; L229-S231 VanDerWaalsContact O-N 3.17Å |
| 232 | H | 71.3 | Confident | 81.5 | Confident | 127 Ų | 127 | 95.3 Ų | 95.3 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | trans | -92.8 | 105.3 | -175.9 | -170.8 | -77.4 | 0 | 0 | 0 | 110.4 | L229 E234 | L229-H232 PolarHBondContact O-N 2.85Å; H232-E234 IonicContact CE1-OE1 3.66Å; H232-E234 IonicContact NE2-OE1 3.92Å | ||
| 233 | F | 73 | Confident | 81.6 | Confident | 155 Ų | 155 | 95.1 Ų | 95.1 | 68% | 0.68 | 52% | 0.52 | S | S | * | . | trans | -133.3 | 122.7 | 170.1 | 60.4 | -84.8 | 0 | 0 | 0 | 109.2 | L235 | F233-L235 HydrophobicContact CD2-CD1 3.88Å; F233-L235 HydrophobicContact CD2-CG 3.98Å; F233-L235 HydrophobicContact CE2-CD1 3.96Å | ||
| 234 | E | 79 | Confident | 81.7 | Confident | 164 Ų | 164 | 98.4 Ų | 98.4 | 77% | 0.766 | 55% | 0.548 | S | S | * | . | trans | -98.5 | 124.5 | 171.1 | -71.9 | -178.3 | 178.4 | 0 | 0 | 108.1 | H232 | H232-E234 IonicContact CE1-OE1 3.66Å; H232-E234 IonicContact NE2-OE1 3.92Å | ||
| 235 | L | 83.9 | Confident | 81.9 | Confident | 72 Ų | 72 | 104.5 Ų | 104.5 | 38% | 0.377 | 58% | 0.576 | S | S | . | * | trans | -109.3 | 136.3 | 176.9 | -66.6 | 170.5 | 0 | 0 | 0 | 109.4 | F233 F239 F240 | F233-L235 HydrophobicContact CD2-CD1 3.88Å; F233-L235 HydrophobicContact CD2-CG 3.98Å; F233-L235 HydrophobicContact CE2-CD1 3.96Å; L235-F239 HydrophobicContact CB-CB 4.28Å; L235-F239 HydrophobicContact CB-CD1 4.24Å; L235-F239 HydrophobicContact CB-CG 4.22Å; L235-F239 HydrophobicContact CD1-CD1 3.77Å; L235-F239 HydrophobicContact CD1-CD2 4.5Å; L235-F239 HydrophobicContact CD1-CE1 3.64Å; L235-F239 HydrophobicContact CD1-CE2 4.37Å; L235-F239 HydrophobicContact CD1-CG 4.21Å; L235-F239 HydrophobicContact CD1-CZ 3.96Å; L235-F239 HydrophobicContact CD2-CD2 4.48Å; L235-F240 HydrophobicContact CB-CE2 4.3Å; L235-F240 HydrophobicContact CB-CZ 4.36Å | ||
| 236 | P | 87.8 | Confident | 82.2 | Confident | 92 Ų | 92 | 101.4 Ų | 101.4 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | trans | -55.4 | 150.9 | 174.4 | -24.9 | 34.1 | 0 | 0 | 0 | 112 | D238 F239 | P236-D238 PolarHBondContact O-N 3.01Å; P236-D238 VanDerWaalsContact O-N 3.17Å; P236-F239 WeakPolarHBondContact O-CB 3.46Å; P236-F239 PolarHBondContact O-N 2.89Å | ||
| 237 | S | 87.3 | Confident | 82.8 | Confident | 94 Ų | 94 | 101.7 Ų | 101.7 | 66% | 0.657 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -55.4 | -35.9 | 178.2 | 51 | 0 | 0 | 0 | 0 | 113.2 | F239 F240 | S237-F239 PolarHBondContact O-N 3.12Å; S237-F240 PolarHBondContact O-N 2.82Å |
| 238 | D | 87.8 | Confident | 83.7 | Confident | 120 Ų | 120 | 106.1 Ų | 106.1 | 64% | 0.642 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -66 | -22.9 | -177.2 | -60 | -7.7 | 0 | 0 | 0 | 112.1 | P236 F240 S241 | P236-D238 PolarHBondContact O-N 3.01Å; P236-D238 VanDerWaalsContact O-N 3.17Å; D238-F240 PolarHBondContact O-N 2.82Å; D238-S241 WeakPolarHBondContact O-CB 3.34Å; D238-S241 PolarHBondContact O-N 2.86Å; D238-S241 PolarHBondContact O-OG 2.89Å |
| 239 | F | 88 | Confident | 84.8 | Confident | 136 Ų | 136 | 109 Ų | 109 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -58.2 | -32.9 | 171.9 | 178.7 | -91.6 | 0 | 0 | 0 | 112.2 | L235 P236 S237 S241 | L235-F239 HydrophobicContact CB-CB 4.28Å; L235-F239 HydrophobicContact CB-CD1 4.24Å; L235-F239 HydrophobicContact CB-CG 4.22Å; L235-F239 HydrophobicContact CD1-CD1 3.77Å; L235-F239 HydrophobicContact CD1-CD2 4.5Å; L235-F239 HydrophobicContact CD1-CE1 3.64Å; L235-F239 HydrophobicContact CD1-CE2 4.37Å; L235-F239 HydrophobicContact CD1-CG 4.21Å; L235-F239 HydrophobicContact CD1-CZ 3.96Å; L235-F239 HydrophobicContact CD2-CD2 4.48Å; P236-F239 WeakPolarHBondContact O-CB 3.46Å; P236-F239 PolarHBondContact O-N 2.89Å; S237-F239 PolarHBondContact O-N 3.12Å; F239-S241 VanDerWaalsContact C-N 3.31Å |
| 240 | F | 87.7 | Confident | 85.8 | Confident | 148 Ų | 148 | 106.8 Ų | 106.8 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -86.1 | -5.8 | 179 | -56.6 | -78.7 | 0 | 0 | 0 | 112.8 | L235 S237 D238 | L235-F240 HydrophobicContact CB-CE2 4.3Å; L235-F240 HydrophobicContact CB-CZ 4.36Å; S237-F240 PolarHBondContact O-N 2.82Å; D238-F240 PolarHBondContact O-N 2.82Å |
| 241 | S | 89.8 | Confident | 87 | Confident | 66 Ų | 66 | 110.2 Ų | 110.2 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -88.4 | 118.1 | 178.2 | 73.8 | 0 | 0 | 0 | 0 | 110.4 | D238 F239 T243 | D238-S241 WeakPolarHBondContact O-CB 3.34Å; D238-S241 PolarHBondContact O-N 2.86Å; D238-S241 PolarHBondContact O-OG 2.89Å; F239-S241 VanDerWaalsContact C-N 3.31Å; S241-T243 PolarHBondContact O-N 2.83Å |
| 242 | L | 88.4 | Confident | 88.2 | Confident | 122 Ų | 122 | 113.9 Ų | 113.9 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -74 | 124.2 | 179.6 | -69.2 | 172.2 | 0 | 0 | 0 | 110.7 | E246 V247 | L242-E246 HydrophobicContact CD2-CB 4.42Å; L242-V247 HydrophobicContact CB-CG2 4.04Å |
| 243 | T | 91.1 | Very high | 89.2 | Confident | 68 Ų | 68 | 112.7 Ų | 112.7 | 42% | 0.417 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 155.1 | 172.3 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | S241 E245 E246 V247 | S241-T243 PolarHBondContact O-N 2.83Å; T243-E245 PolarHBondContact O-N 2.89Å; T243-E245 VanDerWaalsContact O-N 3.13Å; T243-E246 PolarHBondContact N-OE2 2.9Å; T243-E246 PolarHBondContact O-N 3.39Å; T243-E246 VanDerWaalsContact O-N 3.15Å; T243-E246 VanDerWaalsContact OG1-CD 3.23Å; T243-E246 VanDerWaalsContact OG1-CG 3.23Å; T243-E246 WeakPolarHBondContact OG1-CG 3.14Å; T243-E246 PolarHBondContact OG1-N 3.38Å; T243-E246 PolarHBondContact OG1-OE2 3.28Å; T243-V247 WeakPolarHBondContact O-CG2 3.08Å; T243-V247 PolarHBondContact O-N 3.18Å; T243-V247 VanDerWaalsContact O-N 3.08Å |
| 244 | A | 92.7 | Very high | 90.1 | Very high | 73 Ų | 73 | 113 Ų | 113 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.6 | -26 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | K248 | A244-K248 VanDerWaalsContact O-CG 3.29Å; A244-K248 WeakPolarHBondContact O-CG 3.28Å; A244-K248 PolarHBondContact O-N 3.29Å |
| 245 | E | 93 | Very high | 90.7 | Very high | 145 Ų | 145 | 108.4 Ų | 108.4 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -73.4 | -42.6 | 176.2 | -63.7 | -174.2 | 171.6 | 0 | 0 | 112.3 | T243 K248 R249 | T243-E245 PolarHBondContact O-N 2.89Å; T243-E245 VanDerWaalsContact O-N 3.13Å; E245-K248 PolarHBondContact O-N 2.96Å; E245-R249 WeakPolarHBondContact O-CB 3.39Å; E245-R249 PolarHBondContact O-N 2.84Å |
| 246 | E | 91.6 | Very high | 91.1 | Very high | 77 Ų | 77 | 110.4 Ų | 110.4 | 36% | 0.36 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -42.5 | 175.5 | -73.5 | 163.1 | 148.1 | 0 | 0 | 111.5 | L242 T243 K248 R249 E250 | L242-E246 HydrophobicContact CD2-CB 4.42Å; T243-E246 PolarHBondContact N-OE2 2.9Å; T243-E246 PolarHBondContact O-N 3.39Å; T243-E246 VanDerWaalsContact O-N 3.15Å; T243-E246 VanDerWaalsContact OG1-CD 3.23Å; T243-E246 VanDerWaalsContact OG1-CG 3.23Å; T243-E246 WeakPolarHBondContact OG1-CG 3.14Å; T243-E246 PolarHBondContact OG1-N 3.38Å; T243-E246 PolarHBondContact OG1-OE2 3.28Å; E246-K248 VanDerWaalsContact C-N 3.35Å; E246-K248 PolarHBondContact O-N 2.87Å; E246-R249 WeakPolarHBondContact O-CB 3.35Å; E246-R249 PolarHBondContact O-N 2.78Å; E246-R249 VanDerWaalsContact O-N 3.16Å; E246-E250 WeakPolarHBondContact O-CB 3.44Å; E246-E250 PolarHBondContact O-N 3.46Å |
| 247 | V | 92.4 | Very high | 91.1 | Very high | 71 Ų | 71 | 108.3 Ų | 108.3 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.3 | 175.9 | 0 | 0 | 0 | 0 | 111 | L242 T243 R249 E250 Q251 | L242-V247 HydrophobicContact CB-CG2 4.04Å; T243-V247 WeakPolarHBondContact O-CG2 3.08Å; T243-V247 PolarHBondContact O-N 3.18Å; T243-V247 VanDerWaalsContact O-N 3.08Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 3.33Å; V247-E250 PolarHBondContact O-N 3.26Å; V247-Q251 WeakPolarHBondContact O-CB 3.2Å; V247-Q251 PolarHBondContact O-N 2.99Å |
| 248 | K | 94.5 | Very high | 91.3 | Very high | 133 Ų | 133 | 108.4 Ų | 108.4 | 58% | 0.578 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.7 | -39.7 | 175.6 | -77.3 | 175.5 | -177.9 | 176.9 | 0 | 112 | A244 E245 E246 Q251 R252 | A244-K248 VanDerWaalsContact O-CG 3.29Å; A244-K248 WeakPolarHBondContact O-CG 3.28Å; A244-K248 PolarHBondContact O-N 3.29Å; E245-K248 PolarHBondContact O-N 2.96Å; E246-K248 VanDerWaalsContact C-N 3.35Å; E246-K248 PolarHBondContact O-N 2.87Å; K248-Q251 PolarHBondContact O-N 3.32Å; K248-R252 WeakPolarHBondContact O-CG 3.3Å; K248-R252 PolarHBondContact O-N 2.97Å; K248-R252 VanDerWaalsContact O-N 3.08Å |
| 249 | R | 93.5 | Very high | 91.3 | Very high | 151 Ų | 151 | 108.3 Ų | 108.3 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.1 | -45.8 | 177.6 | -171.1 | -171.5 | -59.2 | 162.5 | 3.3 | 111.1 | E245 E246 V247 Q251 R252 L253 | E245-R249 WeakPolarHBondContact O-CB 3.39Å; E245-R249 PolarHBondContact O-N 2.84Å; E246-R249 WeakPolarHBondContact O-CB 3.35Å; E246-R249 PolarHBondContact O-N 2.78Å; E246-R249 VanDerWaalsContact O-N 3.16Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 3.33Å; R249-Q251 VanDerWaalsContact C-N 3.33Å; R249-Q251 PolarHBondContact O-N 3.06Å; R249-R252 PolarHBondContact O-N 3.12Å; R249-L253 HydrophobicContact CG-CD1 4.49Å; R249-L253 WeakPolarHBondContact O-CG 3.47Å; R249-L253 PolarHBondContact O-N 2.95Å |
| 250 | E | 91.7 | Very high | 91.1 | Very high | 81 Ų | 81 | 107.5 Ų | 107.5 | 38% | 0.379 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.1 | -169.1 | -176.3 | 179.8 | 0 | 0 | 111.3 | E246 V247 R252 L253 R254 | E246-E250 WeakPolarHBondContact O-CB 3.44Å; E246-E250 PolarHBondContact O-N 3.46Å; V247-E250 PolarHBondContact O-N 3.26Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-R252 PolarHBondContact O-N 2.82Å; E250-L253 PolarHBondContact O-N 3.44Å; E250-R254 WeakPolarHBondContact O-CB 3.42Å; E250-R254 WeakPolarHBondContact O-CG 3.21Å; E250-R254 PolarHBondContact O-N 3.34Å; E250-R254 IonicContact OE1-CZ 3.77Å; E250-R254 IonicContact OE1-NE 2.64Å; E250-R254 PolarHBondContact OE1-NE 3.37Å; E250-R254 IonicContact OE1-NH2 3.2Å; E250-R254 PolarHBondContact OE1-NH2 3.32Å |
| 251 | Q | 93.3 | Very high | 90.9 | Very high | 126 Ų | 126 | 107.7 Ų | 107.7 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.5 | -44.7 | 174.8 | -172.7 | 179.8 | 11.2 | 0 | 0 | 111.6 | V247 K248 R249 R254 T255 | V247-Q251 WeakPolarHBondContact O-CB 3.2Å; V247-Q251 PolarHBondContact O-N 2.99Å; K248-Q251 PolarHBondContact O-N 3.32Å; R249-Q251 VanDerWaalsContact C-N 3.33Å; R249-Q251 PolarHBondContact O-N 3.06Å; Q251-R254 PolarHBondContact O-N 3.4Å; Q251-T255 PolarHBondContact O-N 3.39Å; Q251-T255 PolarHBondContact O-OG1 3.26Å; Q251-T255 VanDerWaalsContact O-OG1 3.05Å |
| 252 | R | 93.9 | Very high | 90.7 | Very high | 171 Ų | 171 | 108.9 Ų | 108.9 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.7 | -48.8 | 176.2 | -72 | 174.3 | -176.1 | -177.2 | 0.4 | 112 | K248 R249 E250 R254 T255 E256 | K248-R252 WeakPolarHBondContact O-CG 3.3Å; K248-R252 PolarHBondContact O-N 2.97Å; K248-R252 VanDerWaalsContact O-N 3.08Å; R249-R252 PolarHBondContact O-N 3.12Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-R252 PolarHBondContact O-N 2.82Å; R252-R254 VanDerWaalsContact C-N 3.29Å; R252-R254 PolarHBondContact O-N 3.34Å; R252-T255 PolarHBondContact O-N 3.04Å; R252-T255 VanDerWaalsContact O-N 3.15Å; R252-E256 WeakPolarHBondContact O-CG 3.25Å; R252-E256 PolarHBondContact O-N 2.89Å |
| 253 | L | 93.1 | Very high | 90.5 | Very high | 102 Ų | 102 | 105.8 Ų | 105.8 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 178.4 | -69.6 | 173.5 | 0 | 0 | 0 | 112.3 | R249 E250 A257 | R249-L253 HydrophobicContact CG-CD1 4.49Å; R249-L253 WeakPolarHBondContact O-CG 3.47Å; R249-L253 PolarHBondContact O-N 2.95Å; E250-L253 PolarHBondContact O-N 3.44Å; L253-A257 WeakPolarHBondContact O-CB 3.42Å; L253-A257 PolarHBondContact O-N 2.87Å |
| 254 | R | 91.5 | Very high | 90.1 | Very high | 161 Ų | 161 | 110.9 Ų | 110.9 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -44.2 | 174.6 | -72.7 | 177.9 | -177.8 | -170.7 | 0.8 | 111.7 | E250 Q251 R252 A257 V258 | E250-R254 WeakPolarHBondContact O-CB 3.42Å; E250-R254 WeakPolarHBondContact O-CG 3.21Å; E250-R254 PolarHBondContact O-N 3.34Å; E250-R254 IonicContact OE1-CZ 3.77Å; E250-R254 IonicContact OE1-NE 2.64Å; E250-R254 PolarHBondContact OE1-NE 3.37Å; E250-R254 IonicContact OE1-NH2 3.2Å; E250-R254 PolarHBondContact OE1-NH2 3.32Å; Q251-R254 PolarHBondContact O-N 3.4Å; R252-R254 VanDerWaalsContact C-N 3.29Å; R252-R254 PolarHBondContact O-N 3.34Å; R254-A257 PolarHBondContact O-N 2.99Å; R254-V258 WeakPolarHBondContact O-CG2 3.42Å; R254-V258 PolarHBondContact O-N 2.9Å |
| 255 | T | 92.8 | Very high | 89.5 | Confident | 67 Ų | 67 | 109.7 Ų | 109.7 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 176 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | Q251 R252 A257 V258 E259 | Q251-T255 PolarHBondContact O-N 3.39Å; Q251-T255 PolarHBondContact O-OG1 3.26Å; Q251-T255 VanDerWaalsContact O-OG1 3.05Å; R252-T255 PolarHBondContact O-N 3.04Å; R252-T255 VanDerWaalsContact O-N 3.15Å; T255-A257 VanDerWaalsContact C-N 3.31Å; T255-A257 PolarHBondContact O-N 3.11Å; T255-V258 PolarHBondContact O-N 3.2Å; T255-V258 VanDerWaalsContact O-N 3.16Å; T255-E259 WeakPolarHBondContact O-CG 3.44Å; T255-E259 PolarHBondContact O-N 2.8Å |
| 256 | E | 91.3 | Very high | 89.2 | Confident | 115 Ų | 115 | 107.1 Ų | 107.1 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 177.3 | -71.3 | 172.9 | -164.9 | 0 | 0 | 112.1 | R252 E259 R260 | R252-E256 WeakPolarHBondContact O-CG 3.25Å; R252-E256 PolarHBondContact O-N 2.89Å; E256-E259 PolarHBondContact O-N 3.4Å; E256-R260 VanDerWaalsContact O-CB 3.24Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 PolarHBondContact O-N 2.85Å |
| 257 | A | 88.6 | Confident | 89.1 | Confident | 47 Ų | 47 | 110.7 Ų | 110.7 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L253 R254 T255 R260 L261 | L253-A257 WeakPolarHBondContact O-CB 3.42Å; L253-A257 PolarHBondContact O-N 2.87Å; R254-A257 PolarHBondContact O-N 2.99Å; T255-A257 VanDerWaalsContact C-N 3.31Å; T255-A257 PolarHBondContact O-N 3.11Å; A257-R260 WeakPolarHBondContact O-CB 3.39Å; A257-R260 PolarHBondContact O-N 2.94Å; A257-L261 VanDerWaalsContact O-CG 3.3Å; A257-L261 WeakPolarHBondContact O-CG 3.19Å; A257-L261 PolarHBondContact O-N 2.75Å |
| 258 | V | 90.1 | Very high | 88.9 | Confident | 97 Ų | 97 | 110.5 Ų | 110.5 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 111 | R254 T255 R260 L261 S262 | R254-V258 WeakPolarHBondContact O-CG2 3.42Å; R254-V258 PolarHBondContact O-N 2.9Å; T255-V258 PolarHBondContact O-N 3.2Å; T255-V258 VanDerWaalsContact O-N 3.16Å; V258-R260 VanDerWaalsContact C-N 3.31Å; V258-R260 PolarHBondContact O-N 2.87Å; V258-L261 PolarHBondContact O-N 2.74Å; V258-S262 WeakPolarHBondContact O-CB 3.46Å; V258-S262 PolarHBondContact O-N 2.84Å; V258-S262 PolarHBondContact O-OG 3.37Å |
| 259 | E | 88.7 | Confident | 88.5 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 174.7 | -71.3 | 176.3 | -180 | 0 | 0 | 112.3 | T255 E256 L261 S262 S263 | T255-E259 WeakPolarHBondContact O-CG 3.44Å; T255-E259 PolarHBondContact O-N 2.8Å; E256-E259 PolarHBondContact O-N 3.4Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.77Å; E259-S262 WeakPolarHBondContact CA-OG 3.09Å; E259-S262 PolarHBondContact O-N 2.83Å; E259-S262 PolarHBondContact O-OG 3.14Å; E259-S263 WeakPolarHBondContact O-CB 3.49Å; E259-S263 PolarHBondContact O-N 3.01Å; E259-S263 PolarHBondContact O-OG 3.1Å |
| 260 | R | 83.8 | Confident | 88.1 | Confident | 120 Ų | 120 | 107.7 Ų | 107.7 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 176 | -164.3 | -175.7 | -171.2 | 145.4 | -0.1 | 112.5 | E256 A257 V258 S263 R265 E273 | E256-R260 VanDerWaalsContact O-CB 3.24Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 PolarHBondContact O-N 2.85Å; A257-R260 WeakPolarHBondContact O-CB 3.39Å; A257-R260 PolarHBondContact O-N 2.94Å; V258-R260 VanDerWaalsContact C-N 3.31Å; V258-R260 PolarHBondContact O-N 2.87Å; R260-S263 PolarHBondContact O-OG 3.33Å; R260-R265 VanDerWaalsContact NE-CZ 3.32Å; R260-R265 VanDerWaalsContact NE-NH1 3.14Å; R260-E273 IonicContact CZ-OE1 2.63Å; R260-E273 IonicContact NE-OE1 3.78Å; R260-E273 IonicContact NH2-OE1 3.22Å; R260-E273 PolarHBondContact NH2-OE1 3.46Å; R260-E273 IonicContact NH2-OE2 3.67Å; R260-E273 PolarHBondContact NH2-OE2 2.9Å |
| 261 | L | 83.8 | Confident | 88 | Confident | 152 Ų | 152 | 107.7 Ų | 107.7 | 80% | 0.796 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.3 | -31.3 | 178.3 | -70.5 | 171.9 | 0 | 0 | 0 | 112.6 | A257 V258 E259 | A257-L261 VanDerWaalsContact O-CG 3.3Å; A257-L261 WeakPolarHBondContact O-CG 3.19Å; A257-L261 PolarHBondContact O-N 2.75Å; V258-L261 PolarHBondContact O-N 2.74Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.77Å |
| 262 | S | 84.6 | Confident | 87.8 | Confident | 90 Ų | 90 | 109.2 Ų | 109.2 | 63% | 0.629 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -80.4 | -24.5 | 179.5 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | V258 E259 | V258-S262 WeakPolarHBondContact O-CB 3.46Å; V258-S262 PolarHBondContact O-N 2.84Å; V258-S262 PolarHBondContact O-OG 3.37Å; E259-S262 WeakPolarHBondContact CA-OG 3.09Å; E259-S262 PolarHBondContact O-N 2.83Å; E259-S262 PolarHBondContact O-OG 3.14Å |
| 263 | S | 84.5 | Confident | 87.4 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -76.3 | 125.1 | 175.6 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | E259 R260 R265 | E259-S263 WeakPolarHBondContact O-CB 3.49Å; E259-S263 PolarHBondContact O-N 3.01Å; E259-S263 PolarHBondContact O-OG 3.1Å; R260-S263 PolarHBondContact O-OG 3.33Å; S263-R265 PolarHBondContact O-N 3.07Å |
| 264 | L | 82.4 | Confident | 87.1 | Confident | 175 Ų | 175 | 104.6 Ų | 104.6 | 92% | 0.916 | 53% | 0.527 | S | S | * | . | trans | -67.3 | 104.9 | 173 | -71.2 | 176 | 0 | 0 | 0 | 110 | ||||
| 265 | R | 80.3 | Confident | 86.8 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 18% | 0.181 | 52% | 0.518 | C | S | . | . | trans | -85 | 126.9 | 173.8 | -63.9 | 176.8 | 165.6 | -148.9 | -26.3 | 110.4 | R260 S263 M269 R270 E273 | R260-R265 VanDerWaalsContact NE-CZ 3.32Å; R260-R265 VanDerWaalsContact NE-NH1 3.14Å; S263-R265 PolarHBondContact O-N 3.07Å; R265-M269 HydrophobicContact CB-CB 4.43Å; R265-M269 HydrophobicContact CB-SD 4.11Å; R265-M269 HydrophobicContact CG-CE 4.12Å; R265-M269 HydrophobicContact CG-SD 3.78Å; R265-R270 HydrophobicContact CB-CG 4.15Å; R265-R270 PolarHBondContact O-NH2 3.24Å; R265-R270 VanDerWaalsContact O-NH2 3.17Å; R265-E273 IonicContact CZ-OE2 3.81Å; R265-E273 VanDerWaalsContact CZ-OE2 3.27Å; R265-E273 VanDerWaalsContact NH1-CD 3.27Å; R265-E273 IonicContact NH1-OE1 2.77Å; R265-E273 PolarHBondContact NH1-OE1 3.16Å; R265-E273 IonicContact NH1-OE2 3.89Å; R265-E273 PolarHBondContact NH1-OE2 3.07Å; R265-E273 IonicContact NH2-OE2 3.06Å; R265-E273 PolarHBondContact NH2-OE2 3.05Å | ||
| 266 | T | 87.3 | Confident | 86.5 | Confident | 91 Ų | 91 | 107.3 Ų | 107.3 | 56% | 0.558 | 53% | 0.533 | S | S | * | . | trans | -64.5 | 154.3 | 170.9 | 63.7 | 0 | 0 | 0 | 0 | 110 | A268 M269 R270 | T266-A268 PolarHBondContact O-N 3.23Å; T266-M269 WeakPolarHBondContact O-CB 3.47Å; T266-M269 PolarHBondContact O-N 2.9Å; T266-M269 PolarHBondContact OG1-N 3.33Å; T266-R270 PolarHBondContact O-N 3.47Å | ||
| 267 | K | 89 | Confident | 86.2 | Confident | 152 Ų | 152 | 106.4 Ų | 106.4 | 66% | 0.661 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -51 | -43.5 | 174.7 | -179.5 | 174.9 | 171.3 | 175.9 | 0 | 111.8 | M269 R270 E271 | K267-M269 VanDerWaalsContact C-N 3.3Å; K267-M269 PolarHBondContact O-N 3.03Å; K267-R270 PolarHBondContact O-N 3.42Å; K267-R270 VanDerWaalsContact O-N 3.16Å; K267-E271 WeakPolarHBondContact CE-OE1 3.46Å; K267-E271 HydrophobicContact CG-CG 4.49Å; K267-E271 WeakPolarHBondContact CG-OE1 3.33Å; K267-E271 IonicContact NZ-OE1 2.9Å; K267-E271 WeakPolarHBondContact O-CG 3.48Å; K267-E271 PolarHBondContact O-N 3.03Å |
| 268 | A | 88 | Confident | 86 | Confident | 66 Ų | 66 | 107 Ų | 107 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T266 K272 | T266-A268 PolarHBondContact O-N 3.23Å; A268-K272 VanDerWaalsContact O-CB 3.28Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 3.33Å; A268-K272 VanDerWaalsContact O-N 3.07Å |
| 269 | M | 86.1 | Confident | 85.8 | Confident | 86 Ų | 86 | 109.7 Ų | 109.7 | 42% | 0.424 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69 | -37.4 | 177.4 | -173.4 | 176.6 | 170.8 | 0 | 0 | 111.8 | R265 T266 K267 E273 | R265-M269 HydrophobicContact CB-CB 4.43Å; R265-M269 HydrophobicContact CB-SD 4.11Å; R265-M269 HydrophobicContact CG-CE 4.12Å; R265-M269 HydrophobicContact CG-SD 3.78Å; T266-M269 WeakPolarHBondContact O-CB 3.47Å; T266-M269 PolarHBondContact O-N 2.9Å; T266-M269 PolarHBondContact OG1-N 3.33Å; K267-M269 VanDerWaalsContact C-N 3.3Å; K267-M269 PolarHBondContact O-N 3.03Å; M269-E273 PolarHBondContact O-N 3.05Å |
| 270 | R | 85.4 | Confident | 85.8 | Confident | 140 Ų | 140 | 109.6 Ų | 109.6 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.8 | -48.7 | 176.8 | -60.2 | -177.6 | -159.2 | 150.5 | 4.9 | 111.6 | R265 T266 K267 K272 E273 E274 | R265-R270 HydrophobicContact CB-CG 4.15Å; R265-R270 PolarHBondContact O-NH2 3.24Å; R265-R270 VanDerWaalsContact O-NH2 3.17Å; T266-R270 PolarHBondContact O-N 3.47Å; K267-R270 PolarHBondContact O-N 3.42Å; K267-R270 VanDerWaalsContact O-N 3.16Å; R270-K272 VanDerWaalsContact C-N 3.29Å; R270-K272 PolarHBondContact O-N 3.31Å; R270-E273 WeakPolarHBondContact O-CB 3.33Å; R270-E273 PolarHBondContact O-N 3.06Å; R270-E274 WeakPolarHBondContact O-CG 3.25Å; R270-E274 PolarHBondContact O-N 2.92Å |
| 271 | E | 89.9 | Confident | 86.1 | Confident | 80 Ų | 80 | 108.2 Ų | 108.2 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 178.5 | -70.3 | 173 | 178.8 | 0 | 0 | 111.9 | K267 E273 E274 Q275 | K267-E271 WeakPolarHBondContact CE-OE1 3.46Å; K267-E271 HydrophobicContact CG-CG 4.49Å; K267-E271 WeakPolarHBondContact CG-OE1 3.33Å; K267-E271 IonicContact NZ-OE1 2.9Å; K267-E271 WeakPolarHBondContact O-CG 3.48Å; K267-E271 PolarHBondContact O-N 3.03Å; E271-E273 VanDerWaalsContact C-N 3.29Å; E271-E273 PolarHBondContact O-N 3.24Å; E271-E274 PolarHBondContact O-N 3.23Å; E271-Q275 WeakPolarHBondContact O-CB 3.31Å; E271-Q275 VanDerWaalsContact O-CG 3.25Å; E271-Q275 WeakPolarHBondContact O-CG 3.28Å; E271-Q275 PolarHBondContact O-N 2.97Å |
| 272 | K | 89.1 | Confident | 86.4 | Confident | 158 Ų | 158 | 105 Ų | 105 | 69% | 0.687 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -36.8 | 175.5 | -176.4 | 177.5 | 179.1 | -179.2 | 0 | 112.2 | A268 R270 R276 | A268-K272 VanDerWaalsContact O-CB 3.28Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 3.33Å; A268-K272 VanDerWaalsContact O-N 3.07Å; R270-K272 VanDerWaalsContact C-N 3.29Å; R270-K272 PolarHBondContact O-N 3.31Å; K272-R276 WeakPolarHBondContact O-CB 3.35Å; K272-R276 PolarHBondContact O-N 3.33Å |
| 273 | E | 85.7 | Confident | 86.9 | Confident | 57 Ų | 57 | 103.1 Ų | 103.1 | 27% | 0.266 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.9 | -45.1 | 178.3 | -169.4 | 175.5 | 120.1 | 0 | 0 | 111.7 | R260 R265 M269 R270 E271 Q275 R276 E277 | R260-E273 IonicContact CZ-OE1 2.63Å; R260-E273 IonicContact NE-OE1 3.78Å; R260-E273 IonicContact NH2-OE1 3.22Å; R260-E273 PolarHBondContact NH2-OE1 3.46Å; R260-E273 IonicContact NH2-OE2 3.67Å; R260-E273 PolarHBondContact NH2-OE2 2.9Å; R265-E273 IonicContact CZ-OE2 3.81Å; R265-E273 VanDerWaalsContact CZ-OE2 3.27Å; R265-E273 VanDerWaalsContact NH1-CD 3.27Å; R265-E273 IonicContact NH1-OE1 2.77Å; R265-E273 PolarHBondContact NH1-OE1 3.16Å; R265-E273 IonicContact NH1-OE2 3.89Å; R265-E273 PolarHBondContact NH1-OE2 3.07Å; R265-E273 IonicContact NH2-OE2 3.06Å; R265-E273 PolarHBondContact NH2-OE2 3.05Å; M269-E273 PolarHBondContact O-N 3.05Å; R270-E273 WeakPolarHBondContact O-CB 3.33Å; R270-E273 PolarHBondContact O-N 3.06Å; E271-E273 VanDerWaalsContact C-N 3.29Å; E271-E273 PolarHBondContact O-N 3.24Å; E273-Q275 VanDerWaalsContact C-N 3.35Å; E273-Q275 PolarHBondContact O-N 3.22Å; E273-R276 WeakPolarHBondContact O-CA 3.22Å; E273-R276 WeakPolarHBondContact O-CB 2.84Å; E273-R276 PolarHBondContact O-N 3.28Å; E273-E277 PolarHBondContact O-N 3.17Å |
| 274 | E | 85.4 | Confident | 87.3 | Confident | 120 Ų | 120 | 100.5 Ų | 100.5 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.3 | -45.1 | 173.5 | -71.4 | 168.7 | -172.6 | 0 | 0 | 111.4 | R270 E271 R276 E277 L278 | R270-E274 WeakPolarHBondContact O-CG 3.25Å; R270-E274 PolarHBondContact O-N 2.92Å; E271-E274 PolarHBondContact O-N 3.23Å; E274-R276 PolarHBondContact O-N 3.15Å; E274-E277 PolarHBondContact O-N 3.32Å; E274-L278 WeakPolarHBondContact O-CB 3.44Å; E274-L278 WeakPolarHBondContact O-CG 3.44Å; E274-L278 PolarHBondContact O-N 3.37Å |
| 275 | Q | 85.7 | Confident | 87.8 | Confident | 92 Ų | 92 | 93.2 Ų | 93.2 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.4 | -32.3 | 174.5 | -74.5 | -179 | 24 | 0 | 0 | 112.6 | E271 E273 R279 | E271-Q275 WeakPolarHBondContact O-CB 3.31Å; E271-Q275 VanDerWaalsContact O-CG 3.25Å; E271-Q275 WeakPolarHBondContact O-CG 3.28Å; E271-Q275 PolarHBondContact O-N 2.97Å; E273-Q275 VanDerWaalsContact C-N 3.35Å; E273-Q275 PolarHBondContact O-N 3.22Å; Q275-R279 VanDerWaalsContact O-CB 3.3Å; Q275-R279 WeakPolarHBondContact O-CB 3.35Å; Q275-R279 VanDerWaalsContact O-CD 3.31Å; Q275-R279 WeakPolarHBondContact O-CD 3.26Å; Q275-R279 WeakPolarHBondContact O-CG 3.31Å; Q275-R279 PolarHBondContact O-N 3.43Å |
| 276 | R | 87 | Confident | 88.5 | Confident | 192 Ų | 192 | 91 Ų | 91 | 73% | 0.725 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69 | -44.3 | 176 | -174.1 | -177.6 | 179.9 | -173.3 | -0.8 | 110.7 | K272 E273 E274 R279 K280 | K272-R276 WeakPolarHBondContact O-CB 3.35Å; K272-R276 PolarHBondContact O-N 3.33Å; E273-R276 WeakPolarHBondContact O-CA 3.22Å; E273-R276 WeakPolarHBondContact O-CB 2.84Å; E273-R276 PolarHBondContact O-N 3.28Å; E274-R276 PolarHBondContact O-N 3.15Å; R276-R279 CarbonylContact O-C 3.54Å; R276-R279 PolarHBondContact O-N 2.96Å; R276-K280 PolarHBondContact O-N 3.2Å |
| 277 | E | 83.8 | Confident | 88.8 | Confident | 96 Ų | 96 | 89.6 Ų | 89.6 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 176.8 | -69.6 | -57.6 | 136.6 | 0 | 0 | 111.5 | E273 E274 R279 K280 | E273-E277 PolarHBondContact O-N 3.17Å; E274-E277 PolarHBondContact O-N 3.32Å; E277-R279 PolarHBondContact O-N 3.18Å; E277-R279 VanDerWaalsContact O-N 3.11Å; E277-K280 WeakPolarHBondContact O-CB 3.29Å; E277-K280 PolarHBondContact O-N 2.62Å; E277-K280 VanDerWaalsContact O-N 3.07Å; E277-K280 WeakPolarHBondContact OE2-CD 3.37Å; E277-K280 IonicContact OE2-NZ 3.22Å; E277-K280 PolarHBondContact OE2-NZ 3.24Å |
| 278 | L | 84.8 | Confident | 89.1 | Confident | 60 Ų | 60 | 82.3 Ų | 82.3 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.3 | -22.6 | 176.2 | -72.9 | 166.1 | 0 | 0 | 0 | 113.7 | E274 N343 E344 | E274-L278 WeakPolarHBondContact O-CB 3.44Å; E274-L278 WeakPolarHBondContact O-CG 3.44Å; E274-L278 PolarHBondContact O-N 3.37Å; L278-N343 HydrophobicContact CD2-CB 4.06Å; L278-N343 PolarHBondContact O-ND2 3.49Å; L278-E344 HydrophobicContact CD2-CG 4.2Å |
| 279 | R | 86.1 | Confident | 89.3 | Confident | 153 Ų | 153 | 85.8 Ų | 85.8 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -5.7 | 179.6 | -69.1 | 176.8 | -171.6 | -176.2 | 8 | 113.6 | Q275 R276 E277 Y281 | Q275-R279 VanDerWaalsContact O-CB 3.3Å; Q275-R279 WeakPolarHBondContact O-CB 3.35Å; Q275-R279 VanDerWaalsContact O-CD 3.31Å; Q275-R279 WeakPolarHBondContact O-CD 3.26Å; Q275-R279 WeakPolarHBondContact O-CG 3.31Å; Q275-R279 PolarHBondContact O-N 3.43Å; R276-R279 CarbonylContact O-C 3.54Å; R276-R279 PolarHBondContact O-N 2.96Å; E277-R279 PolarHBondContact O-N 3.18Å; E277-R279 VanDerWaalsContact O-N 3.11Å; R279-Y281 VanDerWaalsContact C-N 3.27Å; R279-Y281 PolarHBondContact O-N 2.68Å |
| 280 | K | 88.8 | Confident | 89.6 | Confident | 115 Ų | 115 | 81.9 Ų | 81.9 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -37.9 | -174.8 | -173.3 | 174.2 | -180 | -179.2 | 0 | 112 | R276 E277 | R276-K280 PolarHBondContact O-N 3.2Å; E277-K280 WeakPolarHBondContact O-CB 3.29Å; E277-K280 PolarHBondContact O-N 2.62Å; E277-K280 VanDerWaalsContact O-N 3.07Å; E277-K280 WeakPolarHBondContact OE2-CD 3.37Å; E277-K280 IonicContact OE2-NZ 3.22Å; E277-K280 PolarHBondContact OE2-NZ 3.24Å |
| 281 | Y | 89.9 | Confident | 89.6 | Confident | 92 Ų | 92 | 79.1 Ų | 79.1 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | trans | -117.4 | 136.8 | -178.9 | -56.5 | -72 | 0 | 0 | 0 | 110.6 | R279 A302 V348 P349 | R279-Y281 VanDerWaalsContact C-N 3.27Å; R279-Y281 PolarHBondContact O-N 2.68Å; Y281-A302 VanDerWaalsContact O-CB 3.26Å; Y281-A302 WeakPolarHBondContact O-CB 3.47Å; Y281-V348 HydrophobicContact CD2-CG1 3.72Å; Y281-V348 HydrophobicContact CG-CG1 3.83Å; Y281-P349 HydrophobicContact CD1-CB 3.75Å; Y281-P349 HydrophobicContact CD1-CG 4.35Å; Y281-P349 HydrophobicContact CD2-CB 4.22Å; Y281-P349 HydrophobicContact CE1-CB 3.88Å; Y281-P349 HydrophobicContact CE1-CG 3.97Å; Y281-P349 HydrophobicContact CE2-CB 4.34Å; Y281-P349 HydrophobicContact CE2-CG 4.16Å; Y281-P349 HydrophobicContact CG-CB 3.93Å | ||
| 282 | T | 91.5 | Very high | 89.4 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -91.4 | -30.6 | 175.7 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | A302 | T282-A302 PolarHBondContact O-N 3.07Š|
| 283 | Y | 93.5 | Very high | 89.2 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 159 | -175.7 | -51.7 | -76 | 0 | 0 | 0 | 110.6 | V68 F70 L217 F300 Y301 | V68-Y283 HydrophobicContact CG1-CD1 3.95Å; V68-Y283 HydrophobicContact CG1-CD2 4.39Å; V68-Y283 HydrophobicContact CG1-CE1 3.71Å; V68-Y283 HydrophobicContact CG1-CE2 4.19Å; V68-Y283 HydrophobicContact CG1-CG 4.29Å; V68-Y283 HydrophobicContact CG2-CD2 3.94Å; V68-Y283 HydrophobicContact CG2-CE2 4.23Å; V68-Y283 HydrophobicContact CG2-CG 4.19Å; F70-Y283 HydrophobicContact CZ-CE1 4.11Å; F70-Y283 WeakPolarHBondContact CZ-OH 3.23Å; L217-Y283 HydrophobicContact CD1-CD1 4.2Å; L217-Y283 HydrophobicContact CD1-CE1 4.01Å; L217-Y283 HydrophobicContact CD2-CD1 4.4Å; Y283-F300 CarbonylContact C-O 3.59Å; Y283-F300 WeakPolarHBondContact CA-O 3.39Å; Y283-Y301 AromaticContact CD1-CD1 3.89Å; Y283-Y301 HydrophobicContact CD1-CD1 3.89Å; Y283-Y301 HydrophobicContact CD1-CE1 4.17Å; Y283-Y301 AromaticContact CE1-CD1 3.65Å; Y283-Y301 HydrophobicContact CE1-CD1 3.65Å; Y283-Y301 AromaticContact CE1-CE1 3.49Å; Y283-Y301 HydrophobicContact CE1-CE1 3.49Å; Y283-Y301 VanDerWaalsContact CE1-CE1 3.49Å |
| 284 | A | 93.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F300 L342 V348 P349 | A284-F300 PolarHBondContact N-O 3.34Å; A284-F300 PolarHBondContact O-N 3.38Å; A284-L342 HydrophobicContact CB-CD1 4.3Å; A284-V348 HydrophobicContact CB-CG2 3.85Å; A284-P349 CarbonylContact C-O 3.58Å; A284-P349 WeakPolarHBondContact CA-O 3.35Å |
| 285 | L | 94 | Very high | 89.6 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116.8 | 170.9 | -172.7 | 65.4 | 0 | 0 | 0 | 108.9 | A64 V65 Q297 P349 S350 A351 | A64-L285 HydrophobicContact CB-CD2 3.83Å; V65-L285 HydrophobicContact CG2-CD1 3.53Å; V65-L285 HydrophobicContact CG2-CD2 3.94Å; V65-L285 HydrophobicContact CG2-CG 4.38Å; L285-Q297 HydrophobicContact CD1-CG 3.6Å; L285-Q297 HydrophobicContact CG-CG 4.19Å; L285-P349 PolarHBondContact N-O 3.37Å; L285-S350 CarbonylContact O-C 3.58Å; L285-S350 VanDerWaalsContact O-CA 3.23Å; L285-S350 WeakPolarHBondContact O-CA 3.29Å; L285-A351 PolarHBondContact O-N 3.37Å |
| 286 | V | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.6 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | V288 Q297 G298 F300 L309 L342 L353 | V286-V288 HydrophobicContact CG1-CG2 4.25Å; V286-Q297 CarbonylContact O-C 3.37Å; V286-Q297 WeakPolarHBondContact O-CA 3.38Å; V286-G298 PolarHBondContact N-O 3.17Å; V286-G298 PolarHBondContact O-N 2.98Å; V286-F300 HydrophobicContact CB-CD2 4.02Å; V286-F300 HydrophobicContact CB-CE2 4.03Å; V286-F300 HydrophobicContact CG2-CD2 3.84Å; V286-F300 HydrophobicContact CG2-CE2 4.29Å; V286-L309 HydrophobicContact CB-CD1 4.28Å; V286-L309 HydrophobicContact CG1-CD1 3.77Å; V286-L309 HydrophobicContact CG1-CD2 4.36Å; V286-L342 HydrophobicContact CG2-CD1 4.44Å; V286-L353 HydrophobicContact CG1-CD1 3.61Å; V286-L353 HydrophobicContact CG1-CG 4.04Å |
| 287 | R | 94 | Very high | 90.2 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 23% | 0.234 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.6 | 171.4 | -69.4 | 177.3 | 175.9 | 171.5 | -2.8 | 108.8 | L296 Q297 A351 L352 L353 | R287-L296 CarbonylContact C-O 3.6Å; R287-L296 VanDerWaalsContact CA-O 3.29Å; R287-L296 WeakPolarHBondContact CA-O 2.88Å; R287-Q297 HydrophobicContact CG-CB 4.18Å; R287-Q297 HydrophobicContact CG-CG 4.04Å; R287-Q297 VanDerWaalsContact CZ-OE1 3.31Å; R287-A351 PolarHBondContact N-O 3.26Å; R287-L352 HydrophobicContact CB-CD1 3.81Å; R287-L352 CarbonylContact O-C 3.59Å; R287-L352 WeakPolarHBondContact O-CA 3.42Å; R287-L353 PolarHBondContact O-N 3.36Å |
| 288 | V | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.7 | 178 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | V286 L290 L295 L296 V313 L326 L353 F355 | V286-V288 HydrophobicContact CG1-CG2 4.25Å; V288-L290 HydrophobicContact CG1-CD2 4.48Å; V288-L295 WeakPolarHBondContact O-CA 3.37Å; V288-L296 HydrophobicContact CB-CB 4.31Å; V288-L296 PolarHBondContact N-O 3.01Å; V288-L296 PolarHBondContact O-N 2.76Å; V288-V313 HydrophobicContact CG2-CG2 3.92Å; V288-L326 HydrophobicContact CG1-CD2 3.86Å; V288-L353 CarbonylContact C-O 3.57Å; V288-L353 WeakPolarHBondContact CA-O 3.11Å; V288-L353 HydrophobicContact CG2-CB 4.3Å; V288-L353 HydrophobicContact CG2-CD1 4.41Å; V288-F355 HydrophobicContact CG1-CB 3.8Å |
| 289 | R | 92.8 | Very high | 91.2 | Very high | 139 Ų | 139 | 43.4 Ų | 43.4 | 53% | 0.525 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 120.9 | 174.3 | -176.8 | 178.6 | -179.7 | 173.9 | 1.4 | 109.7 | L295 L352 L353 F355 | R289-L295 HydrophobicContact CB-CD2 3.81Å; R289-L295 HydrophobicContact CG-CD2 4.19Å; R289-L352 HydrophobicContact CB-CD1 4.4Å; R289-L353 PolarHBondContact N-O 2.73Å; R289-F355 WeakPolarHBondContact O-CB 3.47Å; R289-F355 PolarHBondContact O-N 3.21Å |
| 290 | L | 91.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | trans | -91.3 | 162.2 | 178.9 | -62.9 | 173.3 | 0 | 0 | 0 | 111.3 | V288 D292 G293 C294 F355 V376 L377 | V288-L290 HydrophobicContact CG1-CD2 4.48Å; L290-D292 WeakPolarHBondContact CB-OD1 3.18Å; L290-D292 PolarHBondContact O-N 3.25Å; L290-G293 WeakPolarHBondContact O-CA 3.06Å; L290-G293 PolarHBondContact O-N 3.17Å; L290-C294 HydrophobicContact CD1-CB 4.18Å; L290-C294 PolarHBondContact N-O 3.08Å; L290-F355 HydrophobicContact CD2-CB 3.82Å; L290-F355 HydrophobicContact CD2-CD1 4.09Å; L290-F355 HydrophobicContact CD2-CD2 4.12Å; L290-F355 HydrophobicContact CD2-CG 3.76Å; L290-V376 HydrophobicContact CD2-CG1 4.14Å; L290-L377 HydrophobicContact CD1-CD1 3.53Å; L290-L377 HydrophobicContact CD1-CD2 3.63Å; L290-L377 HydrophobicContact CD1-CG 3.39Å | ||
| 291 | P | 86.5 | Confident | 91.9 | Very high | 81 Ų | 81 | 34.2 Ų | 34.2 | 53% | 0.526 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27.4 | -179.6 | -24.3 | 34.8 | 0 | 0 | 0 | 114.2 | G293 F355 V376 | P291-G293 PolarHBondContact O-N 3.19Å; P291-F355 HydrophobicContact CG-CD1 3.95Å; P291-F355 HydrophobicContact CG-CE1 4.43Å; P291-V376 HydrophobicContact CG-CG2 4.47Å |
| 292 | D | 84.5 | Confident | 92.1 | Very high | 54 Ų | 54 | 29.9 Ų | 29.9 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -1.5 | 174 | 63.5 | -5.7 | 0 | 0 | 0 | 113.2 | L290 C294 | L290-D292 WeakPolarHBondContact CB-OD1 3.18Å; L290-D292 PolarHBondContact O-N 3.25Å; D292-C294 VanDerWaalsContact C-N 3.32Å; D292-C294 VanDerWaalsContact CG-SG 3.57Å; D292-C294 VanDerWaalsContact OD1-CB 3.31Å; D292-C294 WeakPolarHBondContact OD1-CB 3.25Å; D292-C294 PolarHBondContact OD1-N 3.33Å; D292-C294 PolarHBondContact OD2-SG 3Å |
| 293 | G | 85.2 | Confident | 92.1 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 18% | 0.175 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 88.1 | -10.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | P226 L290 P291 | P226-G293 WeakPolarHBondContact CD-O 3.48Å; P226-G293 WeakPolarHBondContact CG-O 3.28Å; L290-G293 WeakPolarHBondContact O-CA 3.06Å; L290-G293 PolarHBondContact O-N 3.17Å; P291-G293 PolarHBondContact O-N 3.19Å |
| 294 | C | 88.8 | Confident | 92.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | trans | -63.8 | 148.1 | -180 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | V223 L290 D292 L377 | V223-C294 HydrophobicContact CG1-CB 4.19Å; L290-C294 HydrophobicContact CD1-CB 4.18Å; L290-C294 PolarHBondContact N-O 3.08Å; D292-C294 VanDerWaalsContact C-N 3.32Å; D292-C294 VanDerWaalsContact CG-SG 3.57Å; D292-C294 VanDerWaalsContact OD1-CB 3.31Å; D292-C294 WeakPolarHBondContact OD1-CB 3.25Å; D292-C294 PolarHBondContact OD1-N 3.33Å; D292-C294 PolarHBondContact OD2-SG 3Å; C294-L377 HydrophobicContact CB-CD1 4.38Å | ||
| 295 | L | 91.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 113.8 | 176.6 | -68.3 | 170.5 | 0 | 0 | 0 | 109.3 | V223 F224 V288 R289 L352 | V223-L295 CarbonylContact C-O 3.52Å; V223-L295 WeakPolarHBondContact CA-O 3.28Å; F224-L295 HydrophobicContact CB-CB 4.21Å; F224-L295 PolarHBondContact N-O 2.87Å; F224-L295 PolarHBondContact O-N 3.06Å; V288-L295 WeakPolarHBondContact O-CA 3.37Å; R289-L295 HydrophobicContact CB-CD2 3.81Å; R289-L295 HydrophobicContact CG-CD2 4.19Å; L295-L352 HydrophobicContact CD2-CD1 3.86Å |
| 296 | L | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 117.8 | 172.1 | -179.5 | 69.9 | 0 | 0 | 0 | 109.3 | L221 V223 R287 V288 F312 V313 A316 | L221-L296 HydrophobicContact CD1-CD1 4.09Å; L221-L296 HydrophobicContact CD2-CD1 3.61Å; L221-L296 HydrophobicContact CG-CD1 3.7Å; V223-L296 HydrophobicContact CG2-CD1 3.87Å; R287-L296 CarbonylContact C-O 3.6Å; R287-L296 VanDerWaalsContact CA-O 3.29Å; R287-L296 WeakPolarHBondContact CA-O 2.88Å; V288-L296 HydrophobicContact CB-CB 4.31Å; V288-L296 PolarHBondContact N-O 3.01Å; V288-L296 PolarHBondContact O-N 2.76Å; L296-F312 HydrophobicContact CD2-CD1 4.37Å; L296-F312 HydrophobicContact CD2-CE1 3.86Å; L296-F312 HydrophobicContact CG-CE1 3.94Å; L296-F312 HydrophobicContact CG-CZ 4.39Å; L296-V313 HydrophobicContact CD2-CG2 4.4Å; L296-A316 HydrophobicContact CD1-CB 4.14Å; L296-A316 HydrophobicContact CD2-CB 3.74Å |
| 297 | Q | 93.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137.7 | 179.4 | -174.9 | 176.1 | -83.2 | 0 | 0 | 110.9 | A64 L221 R222 F224 L285 V286 R287 | A64-Q297 PolarHBondContact O-NE2 3.34Å; L221-Q297 WeakPolarHBondContact CA-O 3.5Å; R222-Q297 HydrophobicContact CB-CB 4.44Å; R222-Q297 PolarHBondContact N-O 3.28Å; R222-Q297 PolarHBondContact O-N 2.98Å; F224-Q297 HydrophobicContact CD2-CB 4.17Å; F224-Q297 HydrophobicContact CE2-CB 3.73Å; F224-Q297 HydrophobicContact CE2-CG 4.33Å; L285-Q297 HydrophobicContact CD1-CG 3.6Å; L285-Q297 HydrophobicContact CG-CG 4.19Å; V286-Q297 CarbonylContact O-C 3.37Å; V286-Q297 WeakPolarHBondContact O-CA 3.38Å; R287-Q297 HydrophobicContact CG-CB 4.18Å; R287-Q297 HydrophobicContact CG-CG 4.04Å; R287-Q297 VanDerWaalsContact CZ-OE1 3.31Å |
| 298 | G | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 149.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R219 V286 F300 | R219-G298 WeakPolarHBondContact O-CA 3.36Å; V286-G298 PolarHBondContact N-O 3.17Å; V286-G298 PolarHBondContact O-N 2.98Å; G298-F300 WeakPolarHBondContact O-CD2 3.06Å |
| 299 | T | 95 | Very high | 91.9 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.8 | 176.3 | -52.2 | 0 | 0 | 0 | 0 | 110.2 | R219 | R219-T299 WeakPolarHBondContact CD-O 3.44Å; R219-T299 PolarHBondContact NH1-O 3.4Å; R219-T299 PolarHBondContact O-N 3.16Å |
| 300 | F | 95.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 161.6 | -176.4 | -65.8 | -96.1 | 0 | 0 | 0 | 111.8 | Y283 A284 V286 G298 L309 F312 L342 | Y283-F300 CarbonylContact C-O 3.59Å; Y283-F300 WeakPolarHBondContact CA-O 3.39Å; A284-F300 PolarHBondContact N-O 3.34Å; A284-F300 PolarHBondContact O-N 3.38Å; V286-F300 HydrophobicContact CB-CD2 4.02Å; V286-F300 HydrophobicContact CB-CE2 4.03Å; V286-F300 HydrophobicContact CG2-CD2 3.84Å; V286-F300 HydrophobicContact CG2-CE2 4.29Å; G298-F300 WeakPolarHBondContact O-CD2 3.06Å; F300-L309 HydrophobicContact CE1-CB 4.23Å; F300-L309 HydrophobicContact CE1-CD1 4.3Å; F300-L309 HydrophobicContact CE2-CD1 3.91Å; F300-L309 HydrophobicContact CZ-CB 4.43Å; F300-L309 HydrophobicContact CZ-CD1 3.67Å; F300-F312 HydrophobicContact CE1-CB 4.07Å; F300-F312 HydrophobicContact CE1-CG 4.31Å; F300-F312 HydrophobicContact CE2-CD1 4.22Å; F300-F312 HydrophobicContact CE2-CE1 4.4Å; F300-F312 HydrophobicContact CZ-CB 3.76Å; F300-F312 AromaticContact CZ-CD1 3.6Å; F300-F312 HydrophobicContact CZ-CD1 3.6Å; F300-F312 HydrophobicContact CZ-CD2 4.19Å; F300-F312 HydrophobicContact CZ-CE1 4.2Å; F300-F312 AromaticContact CZ-CG 3.58Å; F300-F312 HydrophobicContact CZ-CG 3.58Å; F300-L342 HydrophobicContact CB-CD1 3.44Å; F300-L342 VanDerWaalsContact CB-CD1 3.44Å; F300-L342 HydrophobicContact CD1-CD1 4.34Å; F300-L342 HydrophobicContact CG-CD1 3.93Å |
| 301 | Y | 94.3 | Very high | 92 | Very high | 75 Ų | 75 | 36.1 Ų | 36.1 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 141.2 | 163.4 | -68.3 | -75.5 | 0 | 0 | 0 | 109.6 | F70 L217 Y283 R303 E304 | F70-Y301 HydrophobicContact CE1-CE1 4.49Å; F70-Y301 WeakPolarHBondContact CE1-OH 3.3Å; L217-Y301 HydrophobicContact CB-CD2 4.14Å; L217-Y301 HydrophobicContact CB-CE2 3.42Å; L217-Y301 VanDerWaalsContact CB-CE2 3.42Å; L217-Y301 HydrophobicContact CD2-CD1 4.44Å; L217-Y301 HydrophobicContact CD2-CD2 3.79Å; L217-Y301 HydrophobicContact CD2-CE2 3.89Å; L217-Y301 HydrophobicContact CD2-CG 4.1Å; L217-Y301 HydrophobicContact CG-CE2 4.21Å; Y283-Y301 AromaticContact CD1-CD1 3.89Å; Y283-Y301 HydrophobicContact CD1-CD1 3.89Å; Y283-Y301 HydrophobicContact CD1-CE1 4.17Å; Y283-Y301 AromaticContact CE1-CD1 3.65Å; Y283-Y301 HydrophobicContact CE1-CD1 3.65Å; Y283-Y301 AromaticContact CE1-CE1 3.49Å; Y283-Y301 HydrophobicContact CE1-CE1 3.49Å; Y283-Y301 VanDerWaalsContact CE1-CE1 3.49Å; Y301-R303 PolarHBondContact O-N 3.45Å; Y301-R303 VanDerWaalsContact O-N 3.12Å; Y301-E304 PolarHBondContact N-OE2 3.43Å; Y301-E304 VanDerWaalsContact N-OE2 3.15Å; Y301-E304 WeakPolarHBondContact O-CB 3.33Å; Y301-E304 PolarHBondContact O-N 2.94Å |
| 302 | A | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y281 T282 N343 V348 | Y281-A302 VanDerWaalsContact O-CB 3.26Å; Y281-A302 WeakPolarHBondContact O-CB 3.47Å; T282-A302 PolarHBondContact O-N 3.07Å; A302-N343 HydrophobicContact CB-CB 4.35Å; A302-N343 VanDerWaalsContact O-CB 3.28Å; A302-N343 WeakPolarHBondContact O-CB 3.36Å; A302-N343 VanDerWaalsContact O-CG 3.25Å; A302-N343 PolarHBondContact O-N 2.77Å; A302-N343 PolarHBondContact O-OD1 3.07Å; A302-V348 HydrophobicContact CB-CG1 3.97Å; A302-V348 HydrophobicContact CB-CG2 4.05Å |
| 303 | R | 91.6 | Very high | 92.7 | Very high | 161 Ų | 161 | 30.1 Ų | 30.1 | 61% | 0.608 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 12 | 179.2 | -59.1 | -171.8 | -173.3 | -161.8 | 12.8 | 114 | Y301 | Y301-R303 PolarHBondContact O-N 3.45Å; Y301-R303 VanDerWaalsContact O-N 3.12Å |
| 304 | E | 92.5 | Very high | 93.1 | Very high | 29 Ų | 29 | 33 Ų | 33 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | trans | -75.5 | 145.7 | 179.7 | -153.9 | 168.2 | 164.6 | 0 | 0 | 111 | R219 Y301 A308 A341 L342 | R219-E304 IonicContact CZ-OE1 3.27Å; R219-E304 VanDerWaalsContact CZ-OE1 3.28Å; R219-E304 IonicContact CZ-OE2 3.2Å; R219-E304 IonicContact NH1-OE1 2.68Å; R219-E304 PolarHBondContact NH1-OE1 3Å; R219-E304 IonicContact NH1-OE2 2.62Å; R219-E304 PolarHBondContact NH1-OE2 3.17Å; R219-E304 IonicContact NH2-OE1 3.18Å; R219-E304 PolarHBondContact NH2-OE1 3.01Å; R219-E304 IonicContact NH2-OE2 3.58Å; R219-E304 PolarHBondContact NH2-OE2 3.19Å; Y301-E304 PolarHBondContact N-OE2 3.43Å; Y301-E304 VanDerWaalsContact N-OE2 3.15Å; Y301-E304 WeakPolarHBondContact O-CB 3.33Å; Y301-E304 PolarHBondContact O-N 2.94Å; E304-A308 HydrophobicContact CG-CB 3.86Å; E304-A308 WeakPolarHBondContact OE1-CB 3.11Å; E304-A341 CarbonylContact O-C 3.56Å; E304-A341 VanDerWaalsContact O-CA 3.25Å; E304-A341 WeakPolarHBondContact O-CA 3.38Å; E304-L342 HydrophobicContact CB-CD1 4.38Å; E304-L342 PolarHBondContact O-N 2.97Å | ||
| 305 | K | 93.6 | Very high | 93.3 | Very high | 121 Ų | 121 | 38.2 Ų | 38.2 | 53% | 0.526 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -68.9 | 146.5 | 178.3 | -64.8 | -176.5 | 176.9 | -176.9 | 0 | 111.1 | S307 A308 L340 | K305-S307 PolarHBondContact O-N 3.24Å; K305-A308 WeakPolarHBondContact O-CB 3.48Å; K305-A308 PolarHBondContact O-N 2.86Å; K305-L340 WeakPolarHBondContact CA-O 3.42Å |
| 306 | L | 92.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52.5 | -38 | 172.3 | -76.7 | 174.5 | 0 | 0 | 0 | 112.7 | A308 L309 F310 L334 L340 L342 L347 | L306-A308 PolarHBondContact O-N 3.46Å; L306-L309 HydrophobicContact CD2-CD2 4.44Å; L306-L309 WeakPolarHBondContact O-CA 3.44Å; L306-L309 WeakPolarHBondContact O-CB 3.17Å; L306-L309 PolarHBondContact O-N 2.87Å; L306-F310 HydrophobicContact CB-CD2 4.47Å; L306-F310 HydrophobicContact CB-CE2 4.47Å; L306-F310 WeakPolarHBondContact O-CD2 3.33Å; L306-F310 PolarHBondContact O-N 3.25Å; L306-L334 HydrophobicContact CD2-CD1 4.2Å; L306-L334 HydrophobicContact CD2-CD2 4.41Å; L306-L340 HydrophobicContact CD1-CB 4.26Å; L306-L340 PolarHBondContact N-O 3.4Å; L306-L342 HydrophobicContact CD2-CD2 3.91Å; L306-L347 HydrophobicContact CD2-CD1 3.92Å |
| 307 | S | 93.1 | Very high | 93.1 | Very high | 34 Ų | 34 | 37.3 Ų | 37.3 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -51.8 | -32.5 | 176.8 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | K305 R311 | K305-S307 PolarHBondContact O-N 3.24Å; S307-R311 WeakPolarHBondContact O-CB 3.44Å; S307-R311 PolarHBondContact O-N 3.42Å |
| 308 | A | 92.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.1 | -33.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E304 K305 L306 F312 | E304-A308 HydrophobicContact CG-CB 3.86Å; E304-A308 WeakPolarHBondContact OE1-CB 3.11Å; K305-A308 WeakPolarHBondContact O-CB 3.48Å; K305-A308 PolarHBondContact O-N 2.86Å; L306-A308 PolarHBondContact O-N 3.46Å; A308-F312 WeakPolarHBondContact O-CB 3.42Å; A308-F312 PolarHBondContact O-N 3.01Å |
| 309 | L | 93.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 171.7 | 171 | 67.3 | 0 | 0 | 0 | 110.9 | V286 F300 L306 R311 F312 V313 L326 L342 L353 | V286-L309 HydrophobicContact CB-CD1 4.28Å; V286-L309 HydrophobicContact CG1-CD1 3.77Å; V286-L309 HydrophobicContact CG1-CD2 4.36Å; F300-L309 HydrophobicContact CE1-CB 4.23Å; F300-L309 HydrophobicContact CE1-CD1 4.3Å; F300-L309 HydrophobicContact CE2-CD1 3.91Å; F300-L309 HydrophobicContact CZ-CB 4.43Å; F300-L309 HydrophobicContact CZ-CD1 3.67Å; L306-L309 HydrophobicContact CD2-CD2 4.44Å; L306-L309 WeakPolarHBondContact O-CA 3.44Å; L306-L309 WeakPolarHBondContact O-CB 3.17Å; L306-L309 PolarHBondContact O-N 2.87Å; L309-R311 PolarHBondContact O-N 3.34Å; L309-F312 WeakPolarHBondContact O-CB 3.35Å; L309-F312 PolarHBondContact O-N 3.45Å; L309-V313 HydrophobicContact CD1-CG2 4.41Å; L309-V313 WeakPolarHBondContact O-CG2 3.44Å; L309-V313 PolarHBondContact O-N 3.35Å; L309-L326 HydrophobicContact CD2-CD1 4.22Å; L309-L326 HydrophobicContact CG-CD1 4.18Å; L309-L342 HydrophobicContact CD2-CD2 4.13Å; L309-L353 HydrophobicContact CD2-CD1 3.47Å; L309-L353 VanDerWaalsContact CD2-CD1 3.47Å; L309-L353 HydrophobicContact CG-CD1 4.49Å |
| 310 | F | 93.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.022 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 174.9 | -81.8 | -87.9 | 0 | 0 | 0 | 111.5 | L306 F312 V313 R314 F324 L326 L334 E336 | L306-F310 HydrophobicContact CB-CD2 4.47Å; L306-F310 HydrophobicContact CB-CE2 4.47Å; L306-F310 WeakPolarHBondContact O-CD2 3.33Å; L306-F310 PolarHBondContact O-N 3.25Å; F310-F312 PolarHBondContact O-N 2.86Å; F310-V313 PolarHBondContact O-N 3.16Å; F310-R314 VanDerWaalsContact O-CB 3.29Å; F310-R314 WeakPolarHBondContact O-CB 3.47Å; F310-R314 PolarHBondContact O-N 3.02Å; F310-F324 HydrophobicContact CB-CZ 4.48Å; F310-F324 HydrophobicContact CD1-CD2 4.32Å; F310-F324 AromaticContact CD1-CE2 3.49Å; F310-F324 HydrophobicContact CD1-CE2 3.49Å; F310-F324 VanDerWaalsContact CD1-CE2 3.49Å; F310-F324 AromaticContact CD1-CZ 3.78Å; F310-F324 HydrophobicContact CD1-CZ 3.78Å; F310-F324 HydrophobicContact CE1-CD2 4.38Å; F310-F324 AromaticContact CE1-CE2 3.92Å; F310-F324 HydrophobicContact CE1-CE2 3.92Å; F310-L326 HydrophobicContact CD1-CD1 4.06Å; F310-L326 HydrophobicContact CD1-CG 4.4Å; F310-L326 HydrophobicContact CD2-CD1 4.46Å; F310-L326 HydrophobicContact CE1-CB 4.26Å; F310-L326 HydrophobicContact CE1-CD1 3.89Å; F310-L326 HydrophobicContact CE1-CG 3.87Å; F310-L326 HydrophobicContact CE2-CD1 4.3Å; F310-L326 HydrophobicContact CG-CD1 4.33Å; F310-L326 HydrophobicContact CZ-CB 4.09Å; F310-L326 HydrophobicContact CZ-CD1 4.01Å; F310-L326 HydrophobicContact CZ-CG 4.14Å; F310-L334 HydrophobicContact CE2-CB 4.2Å; F310-L334 HydrophobicContact CZ-CB 4.11Å; F310-L334 WeakPolarHBondContact CZ-O 3.46Å; F310-E336 HydrophobicContact CB-CB 4.49Å; F310-E336 HydrophobicContact CB-CG 3.88Å; F310-E336 HydrophobicContact CD1-CB 4.12Å; F310-E336 HydrophobicContact CD1-CG 4.37Å; F310-E336 HydrophobicContact CD2-CB 3.86Å; F310-E336 HydrophobicContact CD2-CG 4.02Å; F310-E336 HydrophobicContact CE1-CB 4.32Å; F310-E336 HydrophobicContact CE2-CB 4.06Å; F310-E336 HydrophobicContact CG-CB 3.9Å; F310-E336 HydrophobicContact CG-CG 3.84Å; F310-E336 HydrophobicContact CZ-CB 4.3Å |
| 311 | R | 93.2 | Very high | 91.4 | Very high | 133 Ų | 133 | 55 Ų | 55 | 50% | 0.502 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.6 | -47 | 173.6 | -172.5 | -173.4 | -58.8 | 109.3 | 3.8 | 112.1 | S307 L309 V313 R314 E315 | S307-R311 WeakPolarHBondContact O-CB 3.44Å; S307-R311 PolarHBondContact O-N 3.42Å; L309-R311 PolarHBondContact O-N 3.34Å; R311-V313 VanDerWaalsContact C-N 3.35Å; R311-V313 PolarHBondContact O-N 2.96Å; R311-R314 WeakPolarHBondContact O-CB 3.48Å; R311-R314 PolarHBondContact O-N 3.4Å; R311-E315 WeakPolarHBondContact CD-OE1 3.41Å; R311-E315 HydrophobicContact CG-CG 4.41Å; R311-E315 WeakPolarHBondContact CG-OE1 3.35Å; R311-E315 WeakPolarHBondContact O-CG 3.3Å; R311-E315 PolarHBondContact O-N 3.15Å |
| 312 | F | 93.7 | Very high | 91 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 4% | 0.044 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -44.6 | 178.6 | 169.9 | -96.8 | 0 | 0 | 0 | 112.5 | R219 L221 L296 F300 A308 L309 F310 A316 | R219-F312 HydrophobicContact CB-CD2 4.07Å; R219-F312 HydrophobicContact CB-CE2 3.64Å; R219-F312 HydrophobicContact CG-CD2 3.93Å; R219-F312 HydrophobicContact CG-CE2 4.05Å; L221-F312 HydrophobicContact CB-CE2 3.85Å; L221-F312 HydrophobicContact CB-CZ 4Å; L221-F312 HydrophobicContact CD1-CE2 3.74Å; L221-F312 HydrophobicContact CD1-CZ 3.89Å; L221-F312 HydrophobicContact CG-CE2 3.89Å; L221-F312 HydrophobicContact CG-CZ 3.72Å; L296-F312 HydrophobicContact CD2-CD1 4.37Å; L296-F312 HydrophobicContact CD2-CE1 3.86Å; L296-F312 HydrophobicContact CG-CE1 3.94Å; L296-F312 HydrophobicContact CG-CZ 4.39Å; F300-F312 HydrophobicContact CE1-CB 4.07Å; F300-F312 HydrophobicContact CE1-CG 4.31Å; F300-F312 HydrophobicContact CE2-CD1 4.22Å; F300-F312 HydrophobicContact CE2-CE1 4.4Å; F300-F312 HydrophobicContact CZ-CB 3.76Å; F300-F312 AromaticContact CZ-CD1 3.6Å; F300-F312 HydrophobicContact CZ-CD1 3.6Å; F300-F312 HydrophobicContact CZ-CD2 4.19Å; F300-F312 HydrophobicContact CZ-CE1 4.2Å; F300-F312 AromaticContact CZ-CG 3.58Å; F300-F312 HydrophobicContact CZ-CG 3.58Å; A308-F312 WeakPolarHBondContact O-CB 3.42Å; A308-F312 PolarHBondContact O-N 3.01Å; L309-F312 WeakPolarHBondContact O-CB 3.35Å; L309-F312 PolarHBondContact O-N 3.45Å; F310-F312 PolarHBondContact O-N 2.86Å; F312-A316 PolarHBondContact O-N 2.73Å |
| 313 | V | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 175.8 | 175 | 0 | 0 | 0 | 0 | 109.7 | V288 L296 L309 F310 R311 E315 A316 L317 F324 L326 F355 | V288-V313 HydrophobicContact CG2-CG2 3.92Å; L296-V313 HydrophobicContact CD2-CG2 4.4Å; L309-V313 HydrophobicContact CD1-CG2 4.41Å; L309-V313 WeakPolarHBondContact O-CG2 3.44Å; L309-V313 PolarHBondContact O-N 3.35Å; F310-V313 PolarHBondContact O-N 3.16Å; R311-V313 VanDerWaalsContact C-N 3.35Å; R311-V313 PolarHBondContact O-N 2.96Å; V313-E315 VanDerWaalsContact C-N 3.32Å; V313-E315 PolarHBondContact O-N 3.28Å; V313-A316 WeakPolarHBondContact O-CA 3.36Å; V313-A316 WeakPolarHBondContact O-CB 3.38Å; V313-A316 PolarHBondContact O-N 2.82Å; V313-L317 HydrophobicContact CG1-CD2 4.41Å; V313-L317 HydrophobicContact CG1-CG 4.45Å; V313-L317 WeakPolarHBondContact O-CG 3.37Å; V313-L317 PolarHBondContact O-N 2.73Å; V313-F324 HydrophobicContact CB-CE2 4.11Å; V313-F324 HydrophobicContact CB-CZ 4.01Å; V313-F324 HydrophobicContact CG1-CD2 4.46Å; V313-F324 HydrophobicContact CG1-CE2 3.8Å; V313-F324 HydrophobicContact CG1-CZ 3.9Å; V313-L326 HydrophobicContact CG2-CD1 4.2Å; V313-F355 HydrophobicContact CG1-CD2 3.88Å; V313-F355 HydrophobicContact CG1-CE2 3.94Å |
| 314 | R | 93 | Very high | 90.8 | Very high | 77 Ų | 77 | 48 Ų | 48 | 29% | 0.291 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57 | -42.1 | -179 | -166.6 | -175.9 | -65.3 | -108.3 | 8.4 | 112.8 | F310 R311 A316 L317 D320 F324 E336 | F310-R314 VanDerWaalsContact O-CB 3.29Å; F310-R314 WeakPolarHBondContact O-CB 3.47Å; F310-R314 PolarHBondContact O-N 3.02Å; R311-R314 WeakPolarHBondContact O-CB 3.48Å; R311-R314 PolarHBondContact O-N 3.4Å; R314-A316 PolarHBondContact O-N 3.4Å; R314-L317 PolarHBondContact O-N 3.49Å; R314-D320 WeakPolarHBondContact CD-O 3.33Å; R314-D320 HydrophobicContact CG-CB 3.96Å; R314-D320 WeakPolarHBondContact CG-O 3.23Å; R314-D320 PolarHBondContact NH1-O 3.48Å; R314-F324 HydrophobicContact CB-CE1 4.04Å; R314-F324 HydrophobicContact CB-CZ 4.32Å; R314-F324 HydrophobicContact CG-CE1 4.34Å; R314-E336 IonicContact NH2-OE1 2.69Å; R314-E336 IonicContact NH2-OE2 3.4Å; R314-E336 PolarHBondContact NH2-OE2 2.95Å |
| 315 | E | 92.1 | Very high | 90.8 | Very high | 111 Ų | 111 | 47.7 Ų | 47.7 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.5 | -25.6 | 175.5 | -74.3 | 171.3 | -171.9 | 0 | 0 | 113.1 | R311 V313 R378 | R311-E315 WeakPolarHBondContact CD-OE1 3.41Å; R311-E315 HydrophobicContact CG-CG 4.41Å; R311-E315 WeakPolarHBondContact CG-OE1 3.35Å; R311-E315 WeakPolarHBondContact O-CG 3.3Å; R311-E315 PolarHBondContact O-N 3.15Å; V313-E315 VanDerWaalsContact C-N 3.32Å; V313-E315 PolarHBondContact O-N 3.28Å; E315-R378 PolarHBondContact O-NE 2.83Å; E315-R378 PolarHBondContact O-NH2 2.81Å |
| 316 | A | 90.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -85.5 | -18.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L221 L296 F312 V313 R314 L377 R378 L381 | L221-A316 HydrophobicContact CD1-CB 4.1Å; L296-A316 HydrophobicContact CD1-CB 4.14Å; L296-A316 HydrophobicContact CD2-CB 3.74Å; F312-A316 PolarHBondContact O-N 2.73Å; V313-A316 WeakPolarHBondContact O-CA 3.36Å; V313-A316 WeakPolarHBondContact O-CB 3.38Å; V313-A316 PolarHBondContact O-N 2.82Å; R314-A316 PolarHBondContact O-N 3.4Å; A316-L377 HydrophobicContact CB-CD2 3.91Å; A316-L377 WeakPolarHBondContact O-CA 3.44Å; A316-L377 WeakPolarHBondContact O-CD2 3.24Å; A316-R378 PolarHBondContact O-N 3.37Å; A316-L381 HydrophobicContact CB-CD1 3.71Å |
| 317 | L | 90.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 145.6 | -179 | -59 | 176.5 | 0 | 0 | 0 | 111.3 | V313 R314 F324 F355 W357 V376 R378 | V313-L317 HydrophobicContact CG1-CD2 4.41Å; V313-L317 HydrophobicContact CG1-CG 4.45Å; V313-L317 WeakPolarHBondContact O-CG 3.37Å; V313-L317 PolarHBondContact O-N 2.73Å; R314-L317 PolarHBondContact O-N 3.49Å; L317-F324 HydrophobicContact CD1-CD1 3.76Å; L317-F324 HydrophobicContact CD1-CE1 3.84Å; L317-F324 HydrophobicContact CD1-CG 4.48Å; L317-F355 HydrophobicContact CD1-CE2 3.91Å; L317-F355 HydrophobicContact CD1-CZ 4.04Å; L317-F355 HydrophobicContact CD2-CE2 3.9Å; L317-F355 HydrophobicContact CD2-CZ 3.92Å; L317-W357 HydrophobicContact CD1-CH2 3.9Å; L317-W357 HydrophobicContact CD1-CZ3 4.14Å; L317-W357 HydrophobicContact CD2-CH2 4.45Å; L317-V376 WeakPolarHBondContact CA-O 3.32Å; L317-V376 HydrophobicContact CD2-CG1 3.42Å; L317-V376 VanDerWaalsContact CD2-CG1 3.42Å; L317-R378 VanDerWaalsContact O-CG 3.31Å; L317-R378 WeakPolarHBondContact O-CG 3.37Å; L317-R378 PolarHBondContact O-NE 3.29Å; L317-R378 VanDerWaalsContact O-NE 3.09Å |
| 318 | Q | 87.4 | Confident | 90.8 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 41% | 0.411 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -68.2 | -40.9 | 169.5 | -177.6 | 174 | -3.4 | 0 | 0 | 111.2 | S375 V376 | Q318-S375 PolarHBondContact OE1-OG 2.98Å; Q318-V376 PolarHBondContact N-O 2.87Å |
| 319 | N | 84.4 | Confident | 90.3 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -108.5 | 83.7 | 176.2 | -63.5 | -29.8 | 0 | 0 | 0 | 109.1 | W321 L322 | N319-W321 VanDerWaalsContact C-N 3.25Å; N319-W321 PolarHBondContact O-N 3.25Å; N319-L322 HydrophobicContact CB-CD1 3.56Å; N319-L322 HydrophobicContact CB-CG 4.05Å |
| 320 | D | 85.3 | Confident | 89.7 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16 | -176.8 | 57.1 | 2.2 | 0 | 0 | 0 | 114.6 | R314 R378 | R314-D320 WeakPolarHBondContact CD-O 3.33Å; R314-D320 HydrophobicContact CG-CB 3.96Å; R314-D320 WeakPolarHBondContact CG-O 3.23Å; R314-D320 PolarHBondContact NH1-O 3.48Å; D320-R378 IonicContact OD2-NH2 2.59Å |
| 321 | W | 84.4 | Confident | 89.2 | Confident | 177 Ų | 177 | 56.6 Ų | 56.6 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -17.4 | 180 | 57.7 | -89.2 | 0 | 0 | 0 | 114 | N319 | N319-W321 VanDerWaalsContact C-N 3.25Å; N319-W321 PolarHBondContact O-N 3.25Å |
| 322 | L | 85.3 | Confident | 88.9 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -77.9 | 130.3 | -178.2 | -72.2 | 172.6 | 0 | 0 | 0 | 111.4 | N319 W357 V361 I365 | N319-L322 HydrophobicContact CB-CD1 3.56Å; N319-L322 HydrophobicContact CB-CG 4.05Å; L322-W357 HydrophobicContact CB-CE3 3.82Å; L322-W357 HydrophobicContact CB-CH2 3.98Å; L322-W357 HydrophobicContact CB-CZ3 3.32Å; L322-W357 HydrophobicContact CD1-CE3 4.47Å; L322-W357 HydrophobicContact CD1-CH2 4.1Å; L322-W357 HydrophobicContact CD1-CZ2 4.48Å; L322-W357 HydrophobicContact CD1-CZ3 4.12Å; L322-W357 HydrophobicContact CG-CZ3 4.37Å; L322-V361 HydrophobicContact CD2-CG1 3.47Å; L322-V361 VanDerWaalsContact CD2-CG1 3.47Å; L322-I365 HydrophobicContact CD1-CD1 4.36Å; L322-I365 HydrophobicContact CD2-CD1 4.18Å |
| 323 | P | 89.3 | Confident | 88.7 | Confident | 60 Ų | 60 | 60 Ų | 60 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | trans | -60.3 | 137.8 | 171.7 | -23.9 | 32 | 0 | 0 | 0 | 113.1 | D358 V361 | P323-D358 HydrophobicContact CB-CB 4.06Å; P323-D358 PolarHBondContact O-N 3.14Å; P323-V361 HydrophobicContact CB-CG2 4.16Å; P323-V361 HydrophobicContact CG-CG2 3.9Å | ||
| 324 | F | 91.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 159.2 | 178 | 65.7 | -91.9 | 0 | 0 | 0 | 111.7 | F310 V313 R314 L317 L326 F355 W357 | F310-F324 HydrophobicContact CB-CZ 4.48Å; F310-F324 HydrophobicContact CD1-CD2 4.32Å; F310-F324 AromaticContact CD1-CE2 3.49Å; F310-F324 HydrophobicContact CD1-CE2 3.49Å; F310-F324 VanDerWaalsContact CD1-CE2 3.49Å; F310-F324 AromaticContact CD1-CZ 3.78Å; F310-F324 HydrophobicContact CD1-CZ 3.78Å; F310-F324 HydrophobicContact CE1-CD2 4.38Å; F310-F324 AromaticContact CE1-CE2 3.92Å; F310-F324 HydrophobicContact CE1-CE2 3.92Å; V313-F324 HydrophobicContact CB-CE2 4.11Å; V313-F324 HydrophobicContact CB-CZ 4.01Å; V313-F324 HydrophobicContact CG1-CD2 4.46Å; V313-F324 HydrophobicContact CG1-CE2 3.8Å; V313-F324 HydrophobicContact CG1-CZ 3.9Å; R314-F324 HydrophobicContact CB-CE1 4.04Å; R314-F324 HydrophobicContact CB-CZ 4.32Å; R314-F324 HydrophobicContact CG-CE1 4.34Å; L317-F324 HydrophobicContact CD1-CD1 3.76Å; L317-F324 HydrophobicContact CD1-CE1 3.84Å; L317-F324 HydrophobicContact CD1-CG 4.48Å; F324-L326 HydrophobicContact CD2-CD2 4.16Å; F324-L326 HydrophobicContact CD2-CG 4.11Å; F324-L326 HydrophobicContact CE2-CD1 4.12Å; F324-L326 HydrophobicContact CE2-CD2 4.11Å; F324-L326 HydrophobicContact CE2-CG 3.88Å; F324-F355 HydrophobicContact CB-CD2 4.23Å; F324-F355 HydrophobicContact CB-CE1 4.37Å; F324-F355 HydrophobicContact CB-CE2 3.41Å; F324-F355 VanDerWaalsContact CB-CE2 3.41Å; F324-F355 HydrophobicContact CB-CZ 3.49Å; F324-F355 VanDerWaalsContact CB-CZ 3.49Å; F324-F355 HydrophobicContact CD1-CE2 4.01Å; F324-F355 HydrophobicContact CD1-CZ 4.5Å; F324-F355 AromaticContact CD2-CD2 3.75Å; F324-F355 HydrophobicContact CD2-CD2 3.75Å; F324-F355 AromaticContact CD2-CE2 3.4Å; F324-F355 HydrophobicContact CD2-CE2 3.4Å; F324-F355 VanDerWaalsContact CD2-CE2 3.4Å; F324-F355 HydrophobicContact CD2-CZ 4.37Å; F324-F355 HydrophobicContact CE2-CD2 4.38Å; F324-F355 HydrophobicContact CE2-CE2 4.13Å; F324-F355 HydrophobicContact CG-CD2 4.13Å; F324-F355 AromaticContact CG-CE2 3.33Å; F324-F355 HydrophobicContact CG-CE2 3.33Å; F324-F355 AromaticContact CG-CZ 3.91Å; F324-F355 HydrophobicContact CG-CZ 3.91Å; F324-W357 HydrophobicContact CB-CE3 3.98Å; F324-W357 HydrophobicContact CB-CZ3 4.22Å |
| 325 | E | 92.2 | Very high | 88.3 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 11% | 0.112 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.1 | 175.7 | -56 | -174 | 160.7 | 0 | 0 | 110.5 | R327 K333 S356 | E325-R327 IonicContact OE2-CZ 3.33Å; E325-R327 IonicContact OE2-NE 3.75Å; E325-R327 PolarHBondContact OE2-NE 3.03Å; E325-R327 IonicContact OE2-NH2 3.93Å; E325-R327 PolarHBondContact OE2-NH2 2.94Å; E325-K333 VanDerWaalsContact OE1-CE 3.27Å; E325-K333 WeakPolarHBondContact OE1-CE 3.34Å; E325-K333 IonicContact OE1-NZ 2.76Å; E325-K333 PolarHBondContact OE1-NZ 3.45Å; E325-S356 PolarHBondContact N-O 2.92Å; E325-S356 PolarHBondContact O-N 2.82Å |
| 326 | L | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.5 | 168.7 | -63 | 178.4 | 0 | 0 | 0 | 109.1 | V288 L309 F310 V313 F324 L334 F355 | V288-L326 HydrophobicContact CG1-CD2 3.86Å; L309-L326 HydrophobicContact CD2-CD1 4.22Å; L309-L326 HydrophobicContact CG-CD1 4.18Å; F310-L326 HydrophobicContact CD1-CD1 4.06Å; F310-L326 HydrophobicContact CD1-CG 4.4Å; F310-L326 HydrophobicContact CD2-CD1 4.46Å; F310-L326 HydrophobicContact CE1-CB 4.26Å; F310-L326 HydrophobicContact CE1-CD1 3.89Å; F310-L326 HydrophobicContact CE1-CG 3.87Å; F310-L326 HydrophobicContact CE2-CD1 4.3Å; F310-L326 HydrophobicContact CG-CD1 4.33Å; F310-L326 HydrophobicContact CZ-CB 4.09Å; F310-L326 HydrophobicContact CZ-CD1 4.01Å; F310-L326 HydrophobicContact CZ-CG 4.14Å; V313-L326 HydrophobicContact CG2-CD1 4.2Å; F324-L326 HydrophobicContact CD2-CD2 4.16Å; F324-L326 HydrophobicContact CD2-CG 4.11Å; F324-L326 HydrophobicContact CE2-CD1 4.12Å; F324-L326 HydrophobicContact CE2-CD2 4.11Å; F324-L326 HydrophobicContact CE2-CG 3.88Å; L326-L334 HydrophobicContact CB-CB 4.47Å; L326-L334 HydrophobicContact CB-CD1 4.21Å; L326-L334 WeakPolarHBondContact O-CB 3.37Å; L326-L334 PolarHBondContact O-N 3.47Å; L326-F355 HydrophobicContact CD2-CB 4.17Å; L326-F355 HydrophobicContact CD2-CD2 3.94Å |
| 327 | R | 93.3 | Very high | 87.3 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.2 | 178.2 | -60.6 | -177 | -173.9 | 178.2 | 1.6 | 110.7 | E325 Q332 L353 T354 | E325-R327 IonicContact OE2-CZ 3.33Å; E325-R327 IonicContact OE2-NE 3.75Å; E325-R327 PolarHBondContact OE2-NE 3.03Å; E325-R327 IonicContact OE2-NH2 3.93Å; E325-R327 PolarHBondContact OE2-NH2 2.94Å; R327-Q332 CarbonylContact C-O 3.55Å; R327-Q332 WeakPolarHBondContact CA-O 3.28Å; R327-L353 CarbonylContact O-C 3.54Å; R327-L353 VanDerWaalsContact O-CA 3.29Å; R327-L353 WeakPolarHBondContact O-CA 3.48Å; R327-T354 PolarHBondContact N-O 3.42Å; R327-T354 PolarHBondContact O-N 3.4Å |
| 328 | A | 92.2 | Very high | 86.5 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 164.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G330 G331 Q332 L347 L353 | A328-G330 PolarHBondContact O-N 3.06Å; A328-G331 PolarHBondContact O-N 3.42Å; A328-Q332 HydrophobicContact CB-CB 4.46Å; A328-Q332 PolarHBondContact N-O 3.27Å; A328-L347 HydrophobicContact CB-CD2 4.22Å; A328-L353 HydrophobicContact CB-CD2 4.06Å |
| 329 | S | 84.2 | Confident | 86.3 | Confident | 100 Ų | 100 | 70.8 Ų | 70.8 | 70% | 0.699 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -25.5 | -179.1 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | G331 L352 | S329-G331 VanDerWaalsContact C-N 3.32Å; S329-L352 PolarHBondContact OG-O 2.96Å; S329-L352 VanDerWaalsContact OG-O 3.1Å |
| 330 | G | 81 | Confident | 86.6 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 80% | 0.804 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 5.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A328 Q332 | A328-G330 PolarHBondContact O-N 3.06Å; G330-Q332 VanDerWaalsContact C-N 3.25Å; G330-Q332 PolarHBondContact O-N 3.41Å |
| 331 | G | 82.7 | Confident | 86.9 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 57% | 0.567 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 81.4 | -3.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A328 S329 K333 | A328-G331 PolarHBondContact O-N 3.42Å; S329-G331 VanDerWaalsContact C-N 3.32Å; G331-K333 PolarHBondContact O-N 2.99Å |
| 332 | Q | 86.6 | Confident | 87.2 | Confident | 110 Ų | 110 | 60.3 Ų | 60.3 | 51% | 0.514 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 120.2 | 174.6 | -178.2 | 179.9 | 0.3 | 0 | 0 | 110.1 | R327 A328 G330 | R327-Q332 CarbonylContact C-O 3.55Å; R327-Q332 WeakPolarHBondContact CA-O 3.28Å; A328-Q332 HydrophobicContact CB-CB 4.46Å; A328-Q332 PolarHBondContact N-O 3.27Å; G330-Q332 VanDerWaalsContact C-N 3.25Å; G330-Q332 PolarHBondContact O-N 3.41Å |
| 333 | K | 90.5 | Very high | 87.5 | Confident | 103 Ų | 103 | 61 Ų | 61 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 129.3 | 170.2 | -178.8 | 174.9 | 170.2 | 175.7 | 0 | 108.8 | E325 G331 | E325-K333 VanDerWaalsContact OE1-CE 3.27Å; E325-K333 WeakPolarHBondContact OE1-CE 3.34Å; E325-K333 IonicContact OE1-NZ 2.76Å; E325-K333 PolarHBondContact OE1-NZ 3.45Å; G331-K333 PolarHBondContact O-N 2.99Å |
| 334 | L | 90.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 136.5 | 174.3 | -59 | 175.1 | 0 | 0 | 0 | 108.9 | L306 F310 L326 L347 L353 | L306-L334 HydrophobicContact CD2-CD1 4.2Å; L306-L334 HydrophobicContact CD2-CD2 4.41Å; F310-L334 HydrophobicContact CE2-CB 4.2Å; F310-L334 HydrophobicContact CZ-CB 4.11Å; F310-L334 WeakPolarHBondContact CZ-O 3.46Å; L326-L334 HydrophobicContact CB-CB 4.47Å; L326-L334 HydrophobicContact CB-CD1 4.21Å; L326-L334 WeakPolarHBondContact O-CB 3.37Å; L326-L334 PolarHBondContact O-N 3.47Å; L334-L347 HydrophobicContact CD1-CD1 3.87Å; L334-L347 HydrophobicContact CD2-CD1 4.33Å; L334-L353 HydrophobicContact CD1-CD1 3.94Å; L334-L353 HydrophobicContact CD1-CD2 3.88Å |
| 335 | E | 87.4 | Confident | 87.3 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | trans | -104.7 | 131.3 | 178 | -62.8 | -168 | 176 | 0 | 0 | 110.5 | N337 E338 | E335-N337 VanDerWaalsContact C-N 3.32Å; E335-N337 PolarHBondContact O-N 3.5Å; E335-E338 HydrophobicContact CB-CG 3.98Å | ||
| 336 | E | 84.6 | Confident | 87 | Confident | 71 Ų | 71 | 65 Ų | 65 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -31.3 | -178.3 | -176.3 | 171.3 | -166.9 | 0 | 0 | 112.5 | F310 R314 E338 | F310-E336 HydrophobicContact CB-CB 4.49Å; F310-E336 HydrophobicContact CB-CG 3.88Å; F310-E336 HydrophobicContact CD1-CB 4.12Å; F310-E336 HydrophobicContact CD1-CG 4.37Å; F310-E336 HydrophobicContact CD2-CB 3.86Å; F310-E336 HydrophobicContact CD2-CG 4.02Å; F310-E336 HydrophobicContact CE1-CB 4.32Å; F310-E336 HydrophobicContact CE2-CB 4.06Å; F310-E336 HydrophobicContact CG-CB 3.9Å; F310-E336 HydrophobicContact CG-CG 3.84Å; F310-E336 HydrophobicContact CZ-CB 4.3Å; R314-E336 IonicContact NH2-OE1 2.69Å; R314-E336 IonicContact NH2-OE2 3.4Å; R314-E336 PolarHBondContact NH2-OE2 2.95Å; E336-E338 VanDerWaalsContact C-N 3.32Å; E336-E338 PolarHBondContact O-N 3Å |
| 337 | N | 76 | Confident | 86.9 | Confident | 160 Ų | 160 | 65.4 Ų | 65.4 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -15 | -174.1 | -68.1 | -29.2 | 0 | 0 | 0 | 113.7 | E335 | E335-N337 VanDerWaalsContact C-N 3.32Å; E335-N337 PolarHBondContact O-N 3.5Å |
| 338 | E | 75.2 | Confident | 86.8 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 39% | 0.393 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -76.3 | 128.5 | 178.6 | -68.5 | -167.5 | 145.1 | 0 | 0 | 110.1 | E335 E336 L340 | E335-E338 HydrophobicContact CB-CG 3.98Å; E336-E338 VanDerWaalsContact C-N 3.32Å; E336-E338 PolarHBondContact O-N 3Å; E338-L340 HydrophobicContact CB-CB 4.49Å; E338-L340 HydrophobicContact CB-CD1 4.19Å; E338-L340 HydrophobicContact CB-CG 4.05Å; E338-L340 PolarHBondContact O-N 3.38Å; E338-L340 WeakPolarHBondContact OE2-CD1 3.49Å |
| 339 | A | 82.8 | Confident | 86.7 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 67% | 0.669 | 39% | 0.39 | S | S | * | . | trans | -73.5 | 20.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 340 | L | 89.8 | Confident | 87.1 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 34% | 0.335 | 38% | 0.382 | S | S | . | . | trans | -72.7 | 144.9 | -177.9 | -65.1 | 177.7 | 0 | 0 | 0 | 111.5 | K305 L306 E338 | K305-L340 WeakPolarHBondContact CA-O 3.42Å; L306-L340 HydrophobicContact CD1-CB 4.26Å; L306-L340 PolarHBondContact N-O 3.4Å; E338-L340 HydrophobicContact CB-CB 4.49Å; E338-L340 HydrophobicContact CB-CD1 4.19Å; E338-L340 HydrophobicContact CB-CG 4.05Å; E338-L340 PolarHBondContact O-N 3.38Å; E338-L340 WeakPolarHBondContact OE2-CD1 3.49Å | ||
| 341 | A | 91.6 | Very high | 87.7 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 156.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E304 N343 E344 C345 | E304-A341 CarbonylContact O-C 3.56Å; E304-A341 VanDerWaalsContact O-CA 3.25Å; E304-A341 WeakPolarHBondContact O-CA 3.38Å; A341-N343 VanDerWaalsContact C-N 3.27Å; A341-N343 WeakPolarHBondContact CB-OD1 3.43Å; A341-N343 PolarHBondContact O-N 3.49Å; A341-E344 HydrophobicContact CB-CG 4.25Å; A341-E344 PolarHBondContact N-OE2 3.03Å; A341-E344 WeakPolarHBondContact O-CB 3.35Å; A341-E344 PolarHBondContact O-N 2.94Å; A341-C345 PolarHBondContact O-N 3.17Å; A341-C345 VanDerWaalsContact O-N 3.11Å; A341-C345 PolarHBondContact O-SG 2.98Å |
| 342 | L | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -38.8 | 179.5 | -67.1 | 177.4 | 0 | 0 | 0 | 113.2 | A284 V286 F300 E304 L306 L309 C345 G346 L347 V348 | A284-L342 HydrophobicContact CB-CD1 4.3Å; V286-L342 HydrophobicContact CG2-CD1 4.44Å; F300-L342 HydrophobicContact CB-CD1 3.44Å; F300-L342 VanDerWaalsContact CB-CD1 3.44Å; F300-L342 HydrophobicContact CD1-CD1 4.34Å; F300-L342 HydrophobicContact CG-CD1 3.93Å; E304-L342 HydrophobicContact CB-CD1 4.38Å; E304-L342 PolarHBondContact O-N 2.97Å; L306-L342 HydrophobicContact CD2-CD2 3.91Å; L309-L342 HydrophobicContact CD2-CD2 4.13Å; L342-C345 PolarHBondContact O-N 3.49Å; L342-G346 PolarHBondContact O-N 3.35Å; L342-L347 HydrophobicContact CB-CB 4.33Å; L342-L347 HydrophobicContact CD2-CB 4.26Å; L342-L347 HydrophobicContact CD2-CD1 3.69Å; L342-L347 WeakPolarHBondContact O-CB 3.5Å; L342-L347 PolarHBondContact O-N 2.8Å; L342-V348 HydrophobicContact CB-CG2 4.15Å |
| 343 | N | 90.8 | Very high | 88.6 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -30.4 | 177.6 | 63.5 | -17.4 | 0 | 0 | 0 | 113.5 | L278 A302 A341 G346 V348 | L278-N343 HydrophobicContact CD2-CB 4.06Å; L278-N343 PolarHBondContact O-ND2 3.49Å; A302-N343 HydrophobicContact CB-CB 4.35Å; A302-N343 VanDerWaalsContact O-CB 3.28Å; A302-N343 WeakPolarHBondContact O-CB 3.36Å; A302-N343 VanDerWaalsContact O-CG 3.25Å; A302-N343 PolarHBondContact O-N 2.77Å; A302-N343 PolarHBondContact O-OD1 3.07Å; A341-N343 VanDerWaalsContact C-N 3.27Å; A341-N343 WeakPolarHBondContact CB-OD1 3.43Å; A341-N343 PolarHBondContact O-N 3.49Å; N343-G346 PolarHBondContact O-N 3.2Å; N343-V348 VanDerWaalsContact CA-CG2 3.49Å; N343-V348 HydrophobicContact CB-CB 4.5Å; N343-V348 HydrophobicContact CB-CG2 3.87Å |
| 344 | E | 88.6 | Confident | 88.8 | Confident | 112 Ų | 112 | 53.2 Ų | 53.2 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -33.2 | 175.4 | -65.7 | 168.4 | 172.7 | 0 | 0 | 110.9 | L278 A341 G346 | L278-E344 HydrophobicContact CD2-CG 4.2Å; A341-E344 HydrophobicContact CB-CG 4.25Å; A341-E344 PolarHBondContact N-OE2 3.03Å; A341-E344 WeakPolarHBondContact O-CB 3.35Å; A341-E344 PolarHBondContact O-N 2.94Å; E344-G346 PolarHBondContact O-N 2.95Å |
| 345 | C | 88 | Confident | 88.9 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 3.9 | 174.2 | -58 | 0 | 0 | 0 | 0 | 114 | A341 L342 L347 | A341-C345 PolarHBondContact O-N 3.17Å; A341-C345 VanDerWaalsContact O-N 3.11Å; A341-C345 PolarHBondContact O-SG 2.98Å; L342-C345 PolarHBondContact O-N 3.49Å; C345-L347 HydrophobicContact CB-CD1 4.02Å; C345-L347 HydrophobicContact CB-CG 3.87Å; C345-L347 PolarHBondContact O-N 3.13Å |
| 346 | G | 87.1 | Confident | 89.1 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 62% | 0.619 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 19.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L342 N343 E344 V348 | L342-G346 PolarHBondContact O-N 3.35Å; N343-G346 PolarHBondContact O-N 3.2Å; E344-G346 PolarHBondContact O-N 2.95Å; G346-V348 PolarHBondContact O-N 2.99Å |
| 347 | L | 90.5 | Very high | 89.3 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | trans | -87.3 | 28.6 | -177.7 | -57 | 179.3 | 0 | 0 | 0 | 112.9 | L306 A328 L334 L342 C345 A351 L353 | L306-L347 HydrophobicContact CD2-CD1 3.92Å; A328-L347 HydrophobicContact CB-CD2 4.22Å; L334-L347 HydrophobicContact CD1-CD1 3.87Å; L334-L347 HydrophobicContact CD2-CD1 4.33Å; L342-L347 HydrophobicContact CB-CB 4.33Å; L342-L347 HydrophobicContact CD2-CB 4.26Å; L342-L347 HydrophobicContact CD2-CD1 3.69Å; L342-L347 WeakPolarHBondContact O-CB 3.5Å; L342-L347 PolarHBondContact O-N 2.8Å; C345-L347 HydrophobicContact CB-CD1 4.02Å; C345-L347 HydrophobicContact CB-CG 3.87Å; C345-L347 PolarHBondContact O-N 3.13Å; L347-A351 HydrophobicContact CB-CB 3.85Å; L347-A351 HydrophobicContact CD2-CB 3.85Å; L347-A351 HydrophobicContact CG-CB 4.44Å; L347-L353 HydrophobicContact CD1-CD2 4.49Å; L347-L353 HydrophobicContact CD2-CD2 3.79Å | ||
| 348 | V | 90.9 | Very high | 89.8 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | trans | -138.4 | 139.2 | -169.4 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | Y281 A284 A302 L342 N343 G346 | Y281-V348 HydrophobicContact CD2-CG1 3.72Å; Y281-V348 HydrophobicContact CG-CG1 3.83Å; A284-V348 HydrophobicContact CB-CG2 3.85Å; A302-V348 HydrophobicContact CB-CG1 3.97Å; A302-V348 HydrophobicContact CB-CG2 4.05Å; L342-V348 HydrophobicContact CB-CG2 4.15Å; N343-V348 VanDerWaalsContact CA-CG2 3.49Å; N343-V348 HydrophobicContact CB-CB 4.5Å; N343-V348 HydrophobicContact CB-CG2 3.87Å; G346-V348 PolarHBondContact O-N 2.99Å | ||
| 349 | P | 91 | Very high | 90.2 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | S | Bend | cis | -83.2 | -15.4 | 3.7 | 33.1 | -35.5 | 0 | 0 | 0 | 114.8 | Y281 A284 L285 | Y281-P349 HydrophobicContact CD1-CB 3.75Å; Y281-P349 HydrophobicContact CD1-CG 4.35Å; Y281-P349 HydrophobicContact CD2-CB 4.22Å; Y281-P349 HydrophobicContact CE1-CB 3.88Å; Y281-P349 HydrophobicContact CE1-CG 3.97Å; Y281-P349 HydrophobicContact CE2-CB 4.34Å; Y281-P349 HydrophobicContact CE2-CG 4.16Å; Y281-P349 HydrophobicContact CG-CB 3.93Å; A284-P349 CarbonylContact C-O 3.58Å; A284-P349 WeakPolarHBondContact CA-O 3.35Å; L285-P349 PolarHBondContact N-O 3.37Å |
| 350 | S | 92.8 | Very high | 90.2 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 52% | 0.517 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 137.3 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | L285 | L285-S350 CarbonylContact O-C 3.58Å; L285-S350 VanDerWaalsContact O-CA 3.23Å; L285-S350 WeakPolarHBondContact O-CA 3.29Å |
| 351 | A | 93 | Very high | 89.7 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L285 R287 L347 | L285-A351 PolarHBondContact O-N 3.37Å; R287-A351 PolarHBondContact N-O 3.26Å; L347-A351 HydrophobicContact CB-CB 3.85Å; L347-A351 HydrophobicContact CD2-CB 3.85Å; L347-A351 HydrophobicContact CG-CB 4.44Å |
| 352 | L | 93.2 | Very high | 89.2 | Confident | 75 Ų | 75 | 39.7 Ų | 39.7 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.1 | 168.3 | -178.2 | 65.6 | 0 | 0 | 0 | 108.5 | R287 R289 L295 S329 | R287-L352 HydrophobicContact CB-CD1 3.81Å; R287-L352 CarbonylContact O-C 3.59Å; R287-L352 WeakPolarHBondContact O-CA 3.42Å; R289-L352 HydrophobicContact CB-CD1 4.4Å; L295-L352 HydrophobicContact CD2-CD1 3.86Å; S329-L352 PolarHBondContact OG-O 2.96Å; S329-L352 VanDerWaalsContact OG-O 3.1Å |
| 353 | L | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 149.9 | 177.7 | -56 | -179.6 | 0 | 0 | 0 | 109.4 | V286 R287 V288 R289 L309 R327 A328 L334 L347 | V286-L353 HydrophobicContact CG1-CD1 3.61Å; V286-L353 HydrophobicContact CG1-CG 4.04Å; R287-L353 PolarHBondContact O-N 3.36Å; V288-L353 CarbonylContact C-O 3.57Å; V288-L353 WeakPolarHBondContact CA-O 3.11Å; V288-L353 HydrophobicContact CG2-CB 4.3Å; V288-L353 HydrophobicContact CG2-CD1 4.41Å; R289-L353 PolarHBondContact N-O 2.73Å; L309-L353 HydrophobicContact CD2-CD1 3.47Å; L309-L353 VanDerWaalsContact CD2-CD1 3.47Å; L309-L353 HydrophobicContact CG-CD1 4.49Å; R327-L353 CarbonylContact O-C 3.54Å; R327-L353 VanDerWaalsContact O-CA 3.29Å; R327-L353 WeakPolarHBondContact O-CA 3.48Å; A328-L353 HydrophobicContact CB-CD2 4.06Å; L334-L353 HydrophobicContact CD1-CD1 3.94Å; L334-L353 HydrophobicContact CD1-CD2 3.88Å; L347-L353 HydrophobicContact CD1-CD2 4.49Å; L347-L353 HydrophobicContact CD2-CD2 3.79Å |
| 354 | T | 94.5 | Very high | 88.3 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.4 | 173 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | R327 | R327-T354 PolarHBondContact N-O 3.42Å; R327-T354 PolarHBondContact O-N 3.4Å |
| 355 | F | 93.6 | Very high | 87.9 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 137.9 | 174.2 | 177.1 | -80 | 0 | 0 | 0 | 110.4 | V288 R289 L290 P291 V313 L317 F324 L326 W357 V376 | V288-F355 HydrophobicContact CG1-CB 3.8Å; R289-F355 WeakPolarHBondContact O-CB 3.47Å; R289-F355 PolarHBondContact O-N 3.21Å; L290-F355 HydrophobicContact CD2-CB 3.82Å; L290-F355 HydrophobicContact CD2-CD1 4.09Å; L290-F355 HydrophobicContact CD2-CD2 4.12Å; L290-F355 HydrophobicContact CD2-CG 3.76Å; P291-F355 HydrophobicContact CG-CD1 3.95Å; P291-F355 HydrophobicContact CG-CE1 4.43Å; V313-F355 HydrophobicContact CG1-CD2 3.88Å; V313-F355 HydrophobicContact CG1-CE2 3.94Å; L317-F355 HydrophobicContact CD1-CE2 3.91Å; L317-F355 HydrophobicContact CD1-CZ 4.04Å; L317-F355 HydrophobicContact CD2-CE2 3.9Å; L317-F355 HydrophobicContact CD2-CZ 3.92Å; F324-F355 HydrophobicContact CB-CD2 4.23Å; F324-F355 HydrophobicContact CB-CE1 4.37Å; F324-F355 HydrophobicContact CB-CE2 3.41Å; F324-F355 VanDerWaalsContact CB-CE2 3.41Å; F324-F355 HydrophobicContact CB-CZ 3.49Å; F324-F355 VanDerWaalsContact CB-CZ 3.49Å; F324-F355 HydrophobicContact CD1-CE2 4.01Å; F324-F355 HydrophobicContact CD1-CZ 4.5Å; F324-F355 AromaticContact CD2-CD2 3.75Å; F324-F355 HydrophobicContact CD2-CD2 3.75Å; F324-F355 AromaticContact CD2-CE2 3.4Å; F324-F355 HydrophobicContact CD2-CE2 3.4Å; F324-F355 VanDerWaalsContact CD2-CE2 3.4Å; F324-F355 HydrophobicContact CD2-CZ 4.37Å; F324-F355 HydrophobicContact CE2-CD2 4.38Å; F324-F355 HydrophobicContact CE2-CE2 4.13Å; F324-F355 HydrophobicContact CG-CD2 4.13Å; F324-F355 AromaticContact CG-CE2 3.33Å; F324-F355 HydrophobicContact CG-CE2 3.33Å; F324-F355 AromaticContact CG-CZ 3.91Å; F324-F355 HydrophobicContact CG-CZ 3.91Å; L326-F355 HydrophobicContact CD2-CB 4.17Å; L326-F355 HydrophobicContact CD2-CD2 3.94Å; F355-W357 AromaticContact CE1-CD2 3.77Å; F355-W357 HydrophobicContact CE1-CD2 3.77Å; F355-W357 AromaticContact CE1-CE2 3.71Å; F355-W357 HydrophobicContact CE1-CE3 4.18Å; F355-W357 HydrophobicContact CE1-CG 4.13Å; F355-W357 HydrophobicContact CE1-CH2 4.5Å; F355-W357 HydrophobicContact CE1-CZ2 4.12Å; F355-W357 HydrophobicContact CE1-CZ3 4.5Å; F355-W357 AromaticContact CE1-NE1 3.95Å; F355-W357 AromaticContact CZ-CD2 3.88Å; F355-W357 HydrophobicContact CZ-CD2 3.88Å; F355-W357 AromaticContact CZ-CE2 3.91Å; F355-W357 AromaticContact CZ-CE3 3.81Å; F355-W357 HydrophobicContact CZ-CE3 3.81Å; F355-W357 AromaticContact CZ-CH2 3.89Å; F355-W357 HydrophobicContact CZ-CH2 3.89Å; F355-W357 AromaticContact CZ-CZ2 3.96Å; F355-W357 HydrophobicContact CZ-CZ2 3.96Å; F355-W357 AromaticContact CZ-CZ3 3.79Å; F355-W357 HydrophobicContact CZ-CZ3 3.79Å; F355-V376 HydrophobicContact CE1-CG1 4.05Å; F355-V376 HydrophobicContact CZ-CG1 4.24Å |
| 356 | S | 90.6 | Very high | 87.6 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.8 | 167.2 | 52.3 | 0 | 0 | 0 | 0 | 109.9 | E325 | E325-S356 PolarHBondContact N-O 2.92Å; E325-S356 PolarHBondContact O-N 2.82Å |
| 357 | W | 89.2 | Confident | 87.4 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 13% | 0.129 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 151 | 167.4 | -64 | 114.4 | 0 | 0 | 0 | 110.6 | L317 L322 F324 F355 A359 L362 V376 | L317-W357 HydrophobicContact CD1-CH2 3.9Å; L317-W357 HydrophobicContact CD1-CZ3 4.14Å; L317-W357 HydrophobicContact CD2-CH2 4.45Å; L322-W357 HydrophobicContact CB-CE3 3.82Å; L322-W357 HydrophobicContact CB-CH2 3.98Å; L322-W357 HydrophobicContact CB-CZ3 3.32Å; L322-W357 HydrophobicContact CD1-CE3 4.47Å; L322-W357 HydrophobicContact CD1-CH2 4.1Å; L322-W357 HydrophobicContact CD1-CZ2 4.48Å; L322-W357 HydrophobicContact CD1-CZ3 4.12Å; L322-W357 HydrophobicContact CG-CZ3 4.37Å; F324-W357 HydrophobicContact CB-CE3 3.98Å; F324-W357 HydrophobicContact CB-CZ3 4.22Å; F355-W357 AromaticContact CE1-CD2 3.77Å; F355-W357 HydrophobicContact CE1-CD2 3.77Å; F355-W357 AromaticContact CE1-CE2 3.71Å; F355-W357 HydrophobicContact CE1-CE3 4.18Å; F355-W357 HydrophobicContact CE1-CG 4.13Å; F355-W357 HydrophobicContact CE1-CH2 4.5Å; F355-W357 HydrophobicContact CE1-CZ2 4.12Å; F355-W357 HydrophobicContact CE1-CZ3 4.5Å; F355-W357 AromaticContact CE1-NE1 3.95Å; F355-W357 AromaticContact CZ-CD2 3.88Å; F355-W357 HydrophobicContact CZ-CD2 3.88Å; F355-W357 AromaticContact CZ-CE2 3.91Å; F355-W357 AromaticContact CZ-CE3 3.81Å; F355-W357 HydrophobicContact CZ-CE3 3.81Å; F355-W357 AromaticContact CZ-CH2 3.89Å; F355-W357 HydrophobicContact CZ-CH2 3.89Å; F355-W357 AromaticContact CZ-CZ2 3.96Å; F355-W357 HydrophobicContact CZ-CZ2 3.96Å; F355-W357 AromaticContact CZ-CZ3 3.79Å; F355-W357 HydrophobicContact CZ-CZ3 3.79Å; W357-A359 PolarHBondContact O-N 2.98Å; W357-L362 HydrophobicContact CB-CD1 3.87Å; W357-L362 HydrophobicContact CB-CD2 3.85Å; W357-L362 HydrophobicContact CB-CG 3.67Å; W357-L362 HydrophobicContact CG-CD2 4.21Å; W357-V376 HydrophobicContact CZ2-CG1 3.86Å; W357-V376 HydrophobicContact CZ2-CG2 4.5Å |
| 358 | D | 86.4 | Confident | 87 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | trans | -58.6 | 134.7 | 173 | -167.6 | -49.7 | 0 | 0 | 0 | 109.8 | P323 S360 V361 L362 | P323-D358 HydrophobicContact CB-CB 4.06Å; P323-D358 PolarHBondContact O-N 3.14Å; D358-S360 VanDerWaalsContact C-N 3.27Å; D358-S360 VanDerWaalsContact CG-OG 3.3Å; D358-S360 PolarHBondContact O-N 2.92Å; D358-S360 WeakPolarHBondContact OD1-CB 3.44Å; D358-S360 PolarHBondContact OD1-N 2.63Å; D358-S360 PolarHBondContact OD1-OG 3Å; D358-V361 HydrophobicContact CB-CB 4.22Å; D358-V361 HydrophobicContact CB-CG2 3.88Å; D358-V361 PolarHBondContact O-N 3.42Å; D358-L362 PolarHBondContact O-N 3.15Å | ||
| 359 | A | 83.4 | Confident | 86 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 50% | 0.496 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W357 V361 L362 E363 | W357-A359 PolarHBondContact O-N 2.98Å; A359-V361 VanDerWaalsContact C-N 3.33Å; A359-V361 PolarHBondContact O-N 3.22Å; A359-L362 PolarHBondContact O-N 3.35Å; A359-E363 WeakPolarHBondContact O-CG 3.47Å; A359-E363 PolarHBondContact O-N 3.37Å |
| 360 | S | 83.5 | Confident | 85.1 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 178.4 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | D358 E363 D364 | D358-S360 VanDerWaalsContact C-N 3.27Å; D358-S360 VanDerWaalsContact CG-OG 3.3Å; D358-S360 PolarHBondContact O-N 2.92Å; D358-S360 WeakPolarHBondContact OD1-CB 3.44Å; D358-S360 PolarHBondContact OD1-N 2.63Å; D358-S360 PolarHBondContact OD1-OG 3Å; S360-E363 WeakPolarHBondContact O-CB 3.48Å; S360-E363 PolarHBondContact O-N 3.22Å; S360-D364 PolarHBondContact O-N 3.31Å |
| 361 | V | 79.8 | Confident | 83.9 | Confident | 20 Ų | 20 | 65 Ų | 65 | 12% | 0.121 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.5 | -40 | 179.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L322 P323 D358 A359 E363 D364 I365 | L322-V361 HydrophobicContact CD2-CG1 3.47Å; L322-V361 VanDerWaalsContact CD2-CG1 3.47Å; P323-V361 HydrophobicContact CB-CG2 4.16Å; P323-V361 HydrophobicContact CG-CG2 3.9Å; D358-V361 HydrophobicContact CB-CB 4.22Å; D358-V361 HydrophobicContact CB-CG2 3.88Å; D358-V361 PolarHBondContact O-N 3.42Å; A359-V361 VanDerWaalsContact C-N 3.33Å; A359-V361 PolarHBondContact O-N 3.22Å; V361-E363 VanDerWaalsContact C-N 3.31Å; V361-E363 PolarHBondContact O-N 3.47Å; V361-D364 PolarHBondContact O-N 2.98Å; V361-I365 HydrophobicContact CG1-CD1 3.91Å; V361-I365 WeakPolarHBondContact O-CB 3.16Å; V361-I365 VanDerWaalsContact O-CG1 3.22Å; V361-I365 WeakPolarHBondContact O-CG1 3.46Å; V361-I365 PolarHBondContact O-N 3.34Å |
| 362 | L | 79.4 | Confident | 82.7 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 23% | 0.225 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 174.6 | -73.7 | 174.7 | 0 | 0 | 0 | 112.2 | W357 D358 A359 R366 | W357-L362 HydrophobicContact CB-CD1 3.87Å; W357-L362 HydrophobicContact CB-CD2 3.85Å; W357-L362 HydrophobicContact CB-CG 3.67Å; W357-L362 HydrophobicContact CG-CD2 4.21Å; D358-L362 PolarHBondContact O-N 3.15Å; A359-L362 PolarHBondContact O-N 3.35Å; L362-R366 WeakPolarHBondContact O-CB 3.4Å; L362-R366 WeakPolarHBondContact O-CG 3.3Å; L362-R366 PolarHBondContact O-N 3.38Å |
| 363 | E | 82.7 | Confident | 81.4 | Confident | 130 Ų | 130 | 66.2 Ų | 66.2 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.2 | -44.1 | 174.9 | -74.1 | 176 | 179.4 | 0 | 0 | 111.4 | A359 S360 V361 R366 A367 | A359-E363 WeakPolarHBondContact O-CG 3.47Å; A359-E363 PolarHBondContact O-N 3.37Å; S360-E363 WeakPolarHBondContact O-CB 3.48Å; S360-E363 PolarHBondContact O-N 3.22Å; V361-E363 VanDerWaalsContact C-N 3.31Å; V361-E363 PolarHBondContact O-N 3.47Å; E363-R366 PolarHBondContact O-N 3.05Å; E363-A367 WeakPolarHBondContact O-CB 3.23Å; E363-A367 PolarHBondContact O-N 3.08Å |
| 364 | D | 82.7 | Confident | 80.3 | Confident | 113 Ų | 113 | 75.6 Ų | 75.6 | 60% | 0.604 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 177.1 | -71.6 | -20.3 | 0 | 0 | 0 | 112.3 | S360 V361 R366 A367 A368 | S360-D364 PolarHBondContact O-N 3.31Å; V361-D364 PolarHBondContact O-N 2.98Å; D364-R366 VanDerWaalsContact C-N 3.34Å; D364-R366 PolarHBondContact O-N 3.19Å; D364-A367 PolarHBondContact O-N 3.49Å; D364-A368 WeakPolarHBondContact O-CB 3.39Å; D364-A368 PolarHBondContact O-N 2.9Å |
| 365 | I | 79.2 | Confident | 79.5 | Confident | 37 Ų | 37 | 74.3 Ų | 74.3 | 19% | 0.19 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.5 | -70.7 | 168.5 | 0 | 0 | 0 | 110.6 | L322 V361 A368 G369 A370 | L322-I365 HydrophobicContact CD1-CD1 4.36Å; L322-I365 HydrophobicContact CD2-CD1 4.18Å; V361-I365 HydrophobicContact CG1-CD1 3.91Å; V361-I365 WeakPolarHBondContact O-CB 3.16Å; V361-I365 VanDerWaalsContact O-CG1 3.22Å; V361-I365 WeakPolarHBondContact O-CG1 3.46Å; V361-I365 PolarHBondContact O-N 3.34Å; I365-A368 PolarHBondContact O-N 2.96Å; I365-G369 PolarHBondContact O-N 2.82Å; I365-A370 HydrophobicContact CG2-CB 4.04Å; I365-A370 WeakPolarHBondContact CG2-O 3.36Å; I365-A370 PolarHBondContact O-N 2.9Å |
| 366 | R | 81.6 | Confident | 79 | Confident | 177 Ų | 177 | 74.5 Ų | 74.5 | 67% | 0.668 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 175.9 | -75.1 | 173.6 | -175.1 | -176 | 3.5 | 111.6 | L362 E363 D364 A368 G369 | L362-R366 WeakPolarHBondContact O-CB 3.4Å; L362-R366 WeakPolarHBondContact O-CG 3.3Å; L362-R366 PolarHBondContact O-N 3.38Å; E363-R366 PolarHBondContact O-N 3.05Å; D364-R366 VanDerWaalsContact C-N 3.34Å; D364-R366 PolarHBondContact O-N 3.19Å; R366-A368 VanDerWaalsContact C-N 3.27Å; R366-A368 PolarHBondContact O-N 3.41Å; R366-G369 PolarHBondContact O-N 3.46Å |
| 367 | A | 83 | Confident | 78.9 | Confident | 88 Ų | 88 | 73 Ų | 73 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.9 | -32.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E363 D364 G369 | E363-A367 WeakPolarHBondContact O-CB 3.23Å; E363-A367 PolarHBondContact O-N 3.08Å; D364-A367 PolarHBondContact O-N 3.49Å; A367-G369 PolarHBondContact O-N 3.16Å |
| 368 | A | 83 | Confident | 78.8 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 69% | 0.686 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D364 I365 R366 A370 | D364-A368 WeakPolarHBondContact O-CB 3.39Å; D364-A368 PolarHBondContact O-N 2.9Å; I365-A368 PolarHBondContact O-N 2.96Å; R366-A368 VanDerWaalsContact C-N 3.27Å; R366-A368 PolarHBondContact O-N 3.41Å; A368-A370 PolarHBondContact O-N 3.44Å |
| 369 | G | 69.8 | Low | 78.7 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 71% | 0.711 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 12.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I365 R366 A367 | I365-G369 PolarHBondContact O-N 2.82Å; R366-G369 PolarHBondContact O-N 3.46Å; A367-G369 PolarHBondContact O-N 3.16Å |
| 370 | A | 71.6 | Confident | 78.8 | Confident | 51 Ų | 51 | 82.2 Ų | 82.2 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 136.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | I365 A368 | I365-A370 HydrophobicContact CG2-CB 4.04Å; I365-A370 WeakPolarHBondContact CG2-O 3.36Å; I365-A370 PolarHBondContact O-N 2.9Å; A368-A370 PolarHBondContact O-N 3.44Å |
| 371 | E | 68 | Low | 78.8 | Confident | 165 Ų | 165 | 81.2 Ų | 81.2 | 77% | 0.771 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 138.5 | 166.3 | -71.1 | -163.5 | 159.6 | 0 | 0 | 109.4 | A373 | E371-A373 PolarHBondContact O-N 3.35Š|
| 372 | P | 66.8 | Low | 78.8 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 138.1 | 171.8 | 25.5 | -32.8 | 0 | 0 | 0 | 109.2 | K374 | P372-K374 PolarHBondContact O-N 3.18Š|
| 373 | A | 67 | Low | 78.8 | Confident | 49 Ų | 49 | 85 Ų | 85 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 132.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E371 S375 | E371-A373 PolarHBondContact O-N 3.35Å; A373-S375 PolarHBondContact O-N 3.08Å |
| 374 | K | 70 | Confident | 78.8 | Confident | 197 Ų | 197 | 81.9 Ų | 81.9 | 86% | 0.857 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -58.8 | -29.4 | -179.6 | -68.9 | -178.1 | 179.4 | 177.7 | 0 | 112.5 | P372 | P372-K374 PolarHBondContact O-N 3.18Š|
| 375 | S | 77.4 | Confident | 78.6 | Confident | 39 Ų | 39 | 78.9 Ų | 78.9 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | trans | -110 | 130.1 | 174.8 | 48 | 0 | 0 | 0 | 0 | 110.5 | Q318 A373 | Q318-S375 PolarHBondContact OE1-OG 2.98Å; A373-S375 PolarHBondContact O-N 3.08Å | ||
| 376 | V | 84.4 | Confident | 78.7 | Confident | 10 Ų | 10 | 81.1 Ų | 81.1 | 6% | 0.061 | 48% | 0.478 | C | S | . | . | trans | -87.9 | -33.6 | 176 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | L290 P291 L317 Q318 F355 W357 | L290-V376 HydrophobicContact CD2-CG1 4.14Å; P291-V376 HydrophobicContact CG-CG2 4.47Å; L317-V376 WeakPolarHBondContact CA-O 3.32Å; L317-V376 HydrophobicContact CD2-CG1 3.42Å; L317-V376 VanDerWaalsContact CD2-CG1 3.42Å; Q318-V376 PolarHBondContact N-O 2.87Å; F355-V376 HydrophobicContact CE1-CG1 4.05Å; F355-V376 HydrophobicContact CZ-CG1 4.24Å; W357-V376 HydrophobicContact CZ2-CG1 3.86Å; W357-V376 HydrophobicContact CZ2-CG2 4.5Å | ||
| 377 | L | 87.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 48% | 0.484 | C | S | . | . | B | Isolated β-bridge | trans | -85.2 | 156.3 | -178.6 | -68.8 | 173.6 | 0 | 0 | 0 | 113 | V223 L290 C294 A316 L381 L382 | V223-L377 HydrophobicContact CB-CD1 4.42Å; V223-L377 HydrophobicContact CG1-CD1 3.55Å; V223-L377 HydrophobicContact CG2-CD1 3.94Å; L290-L377 HydrophobicContact CD1-CD1 3.53Å; L290-L377 HydrophobicContact CD1-CD2 3.63Å; L290-L377 HydrophobicContact CD1-CG 3.39Å; C294-L377 HydrophobicContact CB-CD1 4.38Å; A316-L377 HydrophobicContact CB-CD2 3.91Å; A316-L377 WeakPolarHBondContact O-CA 3.44Å; A316-L377 WeakPolarHBondContact O-CD2 3.24Å; L377-L381 HydrophobicContact CD2-CD1 4.42Å; L377-L382 HydrophobicContact CB-CD2 3.97Å; L377-L382 HydrophobicContact CB-CG 4.15Å; L377-L382 HydrophobicContact CD1-CD2 4.15Å |
| 378 | R | 87.9 | Confident | 77.6 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 35% | 0.347 | 46% | 0.46 | S | S | . | . | trans | -56.8 | 142.3 | 168.9 | -67.5 | -179.1 | -179 | -170.1 | 0.8 | 111.2 | E315 A316 L317 D320 E380 L381 L382 | E315-R378 PolarHBondContact O-NE 2.83Å; E315-R378 PolarHBondContact O-NH2 2.81Å; A316-R378 PolarHBondContact O-N 3.37Å; L317-R378 VanDerWaalsContact O-CG 3.31Å; L317-R378 WeakPolarHBondContact O-CG 3.37Å; L317-R378 PolarHBondContact O-NE 3.29Å; L317-R378 VanDerWaalsContact O-NE 3.09Å; D320-R378 IonicContact OD2-NH2 2.59Å; R378-E380 PolarHBondContact O-N 3.15Å; R378-L381 HydrophobicContact CB-CG 4.47Å; R378-L381 PolarHBondContact O-N 3.24Å; R378-L382 PolarHBondContact O-N 3.43Å | ||
| 379 | P | 83.1 | Confident | 76.4 | Confident | 87 Ų | 87 | 81.4 Ų | 81.4 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.1 | -32.3 | -177.2 | 23.5 | -33.9 | 0 | 0 | 0 | 113.3 | L381 L382 A383 | P379-L381 VanDerWaalsContact C-N 3.3Å; P379-L381 PolarHBondContact O-N 2.88Å; P379-L382 PolarHBondContact O-N 3.03Å; P379-A383 PolarHBondContact O-N 3.24Å; P379-A383 VanDerWaalsContact O-N 3.08Å |
| 380 | E | 86.7 | Confident | 76.8 | Confident | 154 Ų | 154 | 82.1 Ų | 82.1 | 72% | 0.72 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.8 | -39.8 | 176 | -63.5 | 173 | -175.6 | 0 | 0 | 112.3 | R378 A383 A384 | R378-E380 PolarHBondContact O-N 3.15Å; E380-A383 PolarHBondContact O-N 3.01Å; E380-A384 PolarHBondContact O-N 3.06Å |
| 381 | L | 82.1 | Confident | 77 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -74.9 | -32.5 | 179 | -64.2 | -178.8 | 0 | 0 | 0 | 112 | L221 V223 A316 L377 R378 P379 A383 A384 | L221-L381 HydrophobicContact CD1-CD1 4.29Å; L221-L381 HydrophobicContact CD2-CD1 4.03Å; L221-L381 HydrophobicContact CD2-CD2 3.58Å; L221-L381 HydrophobicContact CD2-CG 4.39Å; V223-L381 HydrophobicContact CG2-CB 4.09Å; A316-L381 HydrophobicContact CB-CD1 3.71Å; L377-L381 HydrophobicContact CD2-CD1 4.42Å; R378-L381 HydrophobicContact CB-CG 4.47Å; R378-L381 PolarHBondContact O-N 3.24Å; P379-L381 VanDerWaalsContact C-N 3.3Å; P379-L381 PolarHBondContact O-N 2.88Å; L381-A383 VanDerWaalsContact C-N 3.3Å; L381-A384 PolarHBondContact O-N 2.69Å |
| 382 | L | 80 | Confident | 77.5 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 27% | 0.267 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 174.6 | -64.4 | 176 | 0 | 0 | 0 | 111.9 | L377 R378 P379 A384 I385 | L377-L382 HydrophobicContact CB-CD2 3.97Å; L377-L382 HydrophobicContact CB-CG 4.15Å; L377-L382 HydrophobicContact CD1-CD2 4.15Å; R378-L382 PolarHBondContact O-N 3.43Å; P379-L382 PolarHBondContact O-N 3.03Å; L382-A384 VanDerWaalsContact C-N 3.26Å; L382-A384 PolarHBondContact O-N 3.17Å; L382-I385 HydrophobicContact CB-CD1 4.2Å; L382-I385 HydrophobicContact CD2-CD1 3.69Å; L382-I385 WeakPolarHBondContact O-CD1 3.29Å; L382-I385 WeakPolarHBondContact O-CG1 3.47Å; L382-I385 PolarHBondContact O-N 3.27Å |
| 383 | A | 79.7 | Confident | 78.2 | Confident | 91 Ų | 91 | 80 Ų | 80 | 75% | 0.752 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.4 | -26.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P379 E380 L381 | P379-A383 PolarHBondContact O-N 3.24Å; P379-A383 VanDerWaalsContact O-N 3.08Å; E380-A383 PolarHBondContact O-N 3.01Å; L381-A383 VanDerWaalsContact C-N 3.3Å |
| 384 | A | 82.2 | Confident | 78.9 | Confident | 65 Ų | 65 | 81.9 Ų | 81.9 | 54% | 0.537 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 17.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E380 L381 L382 E386 | E380-A384 PolarHBondContact O-N 3.06Å; L381-A384 PolarHBondContact O-N 2.69Å; L382-A384 VanDerWaalsContact C-N 3.26Å; L382-A384 PolarHBondContact O-N 3.17Å; A384-E386 PolarHBondContact O-N 3.13Å |
| 385 | I | 79.9 | Confident | 79.4 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 127 | -178.3 | -74.8 | 172.3 | 0 | 0 | 0 | 111.1 | V223 R225 L382 | V223-I385 HydrophobicContact CB-CG1 4.1Å; V223-I385 HydrophobicContact CG1-CD1 4.35Å; V223-I385 HydrophobicContact CG1-CG1 3.79Å; V223-I385 WeakPolarHBondContact O-CA 3.36Å; R225-I385 HydrophobicContact CB-CG2 3.83Å; L382-I385 HydrophobicContact CB-CD1 4.2Å; L382-I385 HydrophobicContact CD2-CD1 3.69Å; L382-I385 WeakPolarHBondContact O-CD1 3.29Å; L382-I385 WeakPolarHBondContact O-CG1 3.47Å; L382-I385 PolarHBondContact O-N 3.27Å |
| 386 | E | 80.2 | Confident | 79.6 | Confident | 84 Ų | 84 | 76.8 Ų | 76.8 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 144 | 169 | -66.8 | 175.7 | -168.1 | 0 | 0 | 109.6 | R222 V223 F224 R225 A384 | R222-E386 IonicContact NH1-OE1 2.6Å; R222-E386 IonicContact NH1-OE2 3.37Å; R222-E386 PolarHBondContact NH1-OE2 3.08Å; V223-E386 PolarHBondContact O-N 3.48Å; F224-E386 VanDerWaalsContact CA-O 3.28Å; F224-E386 WeakPolarHBondContact CA-O 3.05Å; F224-E386 HydrophobicContact CD1-CB 3.73Å; F224-E386 HydrophobicContact CE1-CB 3.81Å; F224-E386 VanDerWaalsContact CE1-OE2 3.25Å; F224-E386 WeakPolarHBondContact CE1-OE2 3.36Å; R225-E386 PolarHBondContact N-O 2.97Å; A384-E386 PolarHBondContact O-N 3.13Å |
| 387 | Q | 73.4 | Confident | 79.2 | Confident | 171 Ų | 171 | 81.9 Ų | 81.9 | 80% | 0.799 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.8 | 168.2 | -75.8 | -173.4 | -10.2 | 0 | 0 | 109.1 | S389 | Q387-S389 PolarHBondContact O-N 2.79Å; Q387-S389 VanDerWaalsContact O-N 3.15Å |
| 388 | L | 68.7 | Low | 78.5 | Confident | 41 Ų | 41 | 88.8 Ų | 88.8 | 22% | 0.215 | 50% | 0.503 | C | S | . | . | trans | -73.1 | 106.9 | 171.8 | -153.1 | 105 | 0 | 0 | 0 | 107.7 | F224 R225 S227 A230 | F224-L388 HydrophobicContact CB-CB 4.34Å; F224-L388 HydrophobicContact CB-CD1 3.76Å; F224-L388 HydrophobicContact CD1-CD1 3.85Å; F224-L388 HydrophobicContact CD2-CD1 4.21Å; F224-L388 HydrophobicContact CG-CD1 3.68Å; R225-L388 PolarHBondContact O-N 3.22Å; S227-L388 WeakPolarHBondContact CB-O 3.45Å; A230-L388 HydrophobicContact CB-CD2 4.35Å | ||
| 389 | S | 58.2 | Low | 77.6 | Confident | 142 Ų | 142 | 88.5 Ų | 88.5 | 99% | 0.993 | 52% | 0.517 | S | S | * | . | trans | -71.3 | 0 | 177 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | Q387 | Q387-S389 PolarHBondContact O-N 2.79Å; Q387-S389 VanDerWaalsContact O-N 3.15Å |
Retrieved 389 of 389 residues in 406 ms
(Link to these results)