| 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 | 37.7 | Very low | 36.8 | Very low | 215 Ų | 215 | 117.5 Ų | 117.5 | 100% | 1.059 | 63% | 0.633 | S | S | * | * | 0 | -32.2 | 0 | -153.9 | -179.1 | -72.5 | 0 | 0 | 112.3 | |||||
| 2 | I | 38.8 | Very low | 36.5 | Very low | 147 Ų | 147 | 117.8 Ų | 117.8 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.4 | -37.2 | -178.5 | -62.6 | 169.6 | 0 | 0 | 0 | 112.8 | S4 F5 A6 | I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 3.26Å; I2-F5 PolarHBondContact O-N 2.97Å; I2-A6 PolarHBondContact O-N 3.49Å |
| 3 | D | 34.6 | Very low | 36.1 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.8 | -24.1 | -178.4 | -59.7 | -34.5 | 0 | 0 | 0 | 114.3 | F5 | D3-F5 VanDerWaalsContact C-N 3.3Å |
| 4 | S | 36.7 | Very low | 36 | Very low | 79 Ų | 79 | 118.7 Ų | 118.7 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.6 | -24.4 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | I2 | I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 3.26Å |
| 5 | F | 36.5 | Very low | 35.7 | Very low | 145 Ų | 145 | 117.8 Ų | 117.8 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -83.7 | -38 | -175.3 | -152.2 | -102.3 | 0 | 0 | 0 | 112.3 | I2 D3 S7 K8 I9 | I2-F5 PolarHBondContact O-N 2.97Å; D3-F5 VanDerWaalsContact C-N 3.3Å; F5-S7 VanDerWaalsContact C-N 3.33Å; F5-S7 PolarHBondContact O-N 3.01Å; F5-K8 PolarHBondContact O-N 3.02Å; F5-I9 HydrophobicContact CD1-CD1 3.77Å; F5-I9 HydrophobicContact CE1-CD1 3.79Å; F5-I9 PolarHBondContact O-N 2.79Å |
| 6 | A | 36.8 | Very low | 35.5 | Very low | 66 Ų | 66 | 117.3 Ų | 117.3 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.8 | -36.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I2 S10 | I2-A6 PolarHBondContact O-N 3.49Å; A6-S10 PolarHBondContact O-N 3.19Å |
| 7 | S | 37.6 | Very low | 35.3 | Very low | 65 Ų | 65 | 113.9 Ų | 113.9 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.5 | -39.1 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | F5 S10 Q11 | F5-S7 VanDerWaalsContact C-N 3.33Å; F5-S7 PolarHBondContact O-N 3.01Å; S7-S10 PolarHBondContact O-N 2.78Å; S7-Q11 PolarHBondContact O-N 3Å |
| 8 | K | 35.4 | Very low | 35 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.5 | -34.3 | 179.4 | -79.8 | 179.8 | 175.3 | 179.5 | 0 | 113.4 | F5 L12 | F5-K8 PolarHBondContact O-N 3.02Å; K8-L12 PolarHBondContact O-N 2.78Å; K8-L12 VanDerWaalsContact O-N 3.12Å |
| 9 | I | 38.7 | Very low | 34.7 | Very low | 88 Ų | 88 | 117.4 Ų | 117.4 | 45% | 0.451 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.1 | -38.5 | 177.1 | -66 | 171.5 | 0 | 0 | 0 | 111.1 | F5 L12 N13 | F5-I9 HydrophobicContact CD1-CD1 3.77Å; F5-I9 HydrophobicContact CE1-CD1 3.79Å; F5-I9 PolarHBondContact O-N 2.79Å; I9-L12 PolarHBondContact O-N 2.81Å; I9-N13 PolarHBondContact O-N 2.82Å; I9-N13 VanDerWaalsContact O-N 3.08Å |
| 10 | S | 36.4 | Very low | 34.3 | Very low | 79 Ų | 79 | 116.4 Ų | 116.4 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.8 | -45.3 | 174.6 | 146.5 | 0 | 0 | 0 | 0 | 111.9 | A6 S7 F14 | A6-S10 PolarHBondContact O-N 3.19Å; S7-S10 PolarHBondContact O-N 2.78Å; S10-F14 WeakPolarHBondContact O-CB 3.44Å; S10-F14 PolarHBondContact O-N 2.96Å |
| 11 | Q | 35.6 | Very low | 33.9 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.6 | -37.9 | 179 | -71.7 | -177.4 | -8.5 | 0 | 0 | 113 | S7 F14 L15 | S7-Q11 PolarHBondContact O-N 3Å; Q11-F14 PolarHBondContact O-N 2.82Å; Q11-L15 WeakPolarHBondContact O-CB 3.18Å; Q11-L15 PolarHBondContact O-N 3.06Å |
| 12 | L | 33.5 | Very low | 33.3 | Very low | 122 Ų | 122 | 115.5 Ų | 115.5 | 64% | 0.639 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.4 | -41.7 | 179.3 | -155.5 | 78.8 | 0 | 0 | 0 | 111.5 | K8 I9 L15 L16 | K8-L12 PolarHBondContact O-N 2.78Å; K8-L12 VanDerWaalsContact O-N 3.12Å; I9-L12 PolarHBondContact O-N 2.81Å; L12-L15 PolarHBondContact O-N 2.99Å; L12-L16 WeakPolarHBondContact O-CB 2.81Å; L12-L16 PolarHBondContact O-N 2.94Å |
| 13 | N | 31.7 | Very low | 32.8 | Very low | 99 Ų | 99 | 113.6 Ų | 113.6 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67 | -36.6 | 175.6 | -77.4 | -19.2 | 0 | 0 | 0 | 112.1 | I9 A17 | I9-N13 PolarHBondContact O-N 2.82Å; I9-N13 VanDerWaalsContact O-N 3.08Å; N13-A17 WeakPolarHBondContact O-CB 3.48Å; N13-A17 PolarHBondContact O-N 3.38Å |
| 14 | F | 34.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 113.3 Ų | 113.3 | 65% | 0.654 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.8 | -42.2 | 175.6 | -170.1 | -97 | 0 | 0 | 0 | 112 | S10 Q11 Y18 | S10-F14 WeakPolarHBondContact O-CB 3.44Å; S10-F14 PolarHBondContact O-N 2.96Å; Q11-F14 PolarHBondContact O-N 2.82Å; F14-Y18 WeakPolarHBondContact O-CB 3.47Å; F14-Y18 PolarHBondContact O-N 3.45Å |
| 15 | L | 31.6 | Very low | 31.6 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 55% | 0.55 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.6 | -39 | 176.7 | -87.1 | 159.7 | 0 | 0 | 0 | 112.7 | Q11 L12 K19 | Q11-L15 WeakPolarHBondContact O-CB 3.18Å; Q11-L15 PolarHBondContact O-N 3.06Å; L12-L15 PolarHBondContact O-N 2.99Å; L15-K19 WeakPolarHBondContact O-CB 3.36Å; L15-K19 PolarHBondContact O-N 2.7Å |
| 16 | L | 32.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 120 Ų | 120 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.5 | -45.5 | 177.4 | -146.7 | 82.5 | 0 | 0 | 0 | 110.7 | L12 Y18 K19 L20 | L12-L16 WeakPolarHBondContact O-CB 2.81Å; L12-L16 PolarHBondContact O-N 2.94Å; L16-Y18 PolarHBondContact O-N 3.45Å; L16-K19 PolarHBondContact O-N 2.82Å; L16-L20 HydrophobicContact CD2-CD1 4.4Å; L16-L20 HydrophobicContact CG-CD1 4.19Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 WeakPolarHBondContact O-CD1 3.16Å; L16-L20 PolarHBondContact O-N 2.84Å |
| 17 | A | 32 | Very low | 30.7 | Very low | 60 Ų | 60 | 126.1 Ų | 126.1 | 50% | 0.496 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.8 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N13 R21 | N13-A17 WeakPolarHBondContact O-CB 3.48Å; N13-A17 PolarHBondContact O-N 3.38Å; A17-R21 VanDerWaalsContact O-CB 3.26Å; A17-R21 WeakPolarHBondContact O-CB 3.12Å; A17-R21 PolarHBondContact O-N 2.7Å |
| 18 | Y | 29.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 125 Ų | 125 | 57% | 0.573 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.9 | -38.1 | 178.5 | -170 | -96.2 | 0 | 0 | 0 | 112.7 | F14 L16 T22 | F14-Y18 WeakPolarHBondContact O-CB 3.47Å; F14-Y18 PolarHBondContact O-N 3.45Å; L16-Y18 PolarHBondContact O-N 3.45Å; Y18-T22 HydrophobicContact CE1-CG2 4.41Å; Y18-T22 PolarHBondContact O-N 2.65Å; Y18-T22 PolarHBondContact O-OG1 3.48Å |
| 19 | K | 28.7 | Very low | 30 | Very low | 148 Ų | 148 | 120.5 Ų | 120.5 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.1 | -36.4 | 175.1 | -91 | -177.8 | 172.9 | -179.7 | 0 | 113.1 | L15 L16 T22 T23 | L15-K19 WeakPolarHBondContact O-CB 3.36Å; L15-K19 PolarHBondContact O-N 2.7Å; L16-K19 PolarHBondContact O-N 2.82Å; K19-T22 PolarHBondContact O-OG1 3.38Å; K19-T23 PolarHBondContact O-N 2.95Å; K19-T23 PolarHBondContact O-OG1 2.8Å |
| 20 | L | 28.3 | Very low | 29.6 | Very low | 96 Ų | 96 | 120.2 Ų | 120.2 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.7 | -35.6 | 174.3 | -86.5 | 152.9 | 0 | 0 | 0 | 111.7 | L16 T23 L24 | L16-L20 HydrophobicContact CD2-CD1 4.4Å; L16-L20 HydrophobicContact CG-CD1 4.19Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 WeakPolarHBondContact O-CD1 3.16Å; L16-L20 PolarHBondContact O-N 2.84Å; L20-T23 PolarHBondContact O-OG1 2.93Å; L20-L24 HydrophobicContact CD2-CD1 4.41Å |
| 21 | R | 25.9 | Very low | 29.2 | Very low | 219 Ų | 219 | 121.7 Ų | 121.7 | 83% | 0.826 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.5 | -24.6 | 179.6 | -157 | 175.6 | -148.4 | -164 | 5.5 | 114.2 | A17 | A17-R21 VanDerWaalsContact O-CB 3.26Å; A17-R21 WeakPolarHBondContact O-CB 3.12Å; A17-R21 PolarHBondContact O-N 2.7Å |
| 22 | T | 25.1 | Very low | 29 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 58% | 0.583 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -88 | -18.9 | 179 | 42.6 | 0 | 0 | 0 | 0 | 113.8 | Y18 K19 | Y18-T22 HydrophobicContact CE1-CG2 4.41Å; Y18-T22 PolarHBondContact O-N 2.65Å; Y18-T22 PolarHBondContact O-OG1 3.48Å; K19-T22 PolarHBondContact O-OG1 3.38Å |
| 23 | T | 27.5 | Very low | 28.9 | Very low | 107 Ų | 107 | 119.9 Ų | 119.9 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -94.4 | -17.8 | -179.1 | 37.8 | 0 | 0 | 0 | 0 | 114.4 | K19 L20 | K19-T23 PolarHBondContact O-N 2.95Å; K19-T23 PolarHBondContact O-OG1 2.8Å; L20-T23 PolarHBondContact O-OG1 2.93Å |
| 24 | L | 23.9 | Very low | 28.8 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | trans | -106.5 | 81 | -177.9 | -76 | 159.6 | 0 | 0 | 0 | 111.5 | L20 | L20-L24 HydrophobicContact CD2-CD1 4.41Š| ||
| 25 | R | 22.5 | Very low | 28.7 | Very low | 239 Ų | 239 | 118.6 Ų | 118.6 | 90% | 0.902 | 62% | 0.619 | S | S | * | * | trans | -138.1 | 68.8 | 159.6 | -159.6 | -176.5 | -166.3 | -169.2 | 3.7 | 109.6 | ||||
| 26 | V | 28.2 | Very low | 28.7 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 76% | 0.758 | 62% | 0.619 | S | S | * | * | trans | -142.7 | 118.9 | 167.3 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 27 | E | 26.2 | Very low | 28.7 | Very low | 195 Ų | 195 | 116.1 Ų | 116.1 | 91% | 0.911 | 61% | 0.61 | S | S | * | * | trans | -70 | 126.4 | 176.1 | -65 | 175.4 | 160.9 | 0 | 0 | 110 | ||||
| 28 | G | 28.8 | Very low | 28.8 | Very low | 41 Ų | 41 | 117.3 Ų | 117.3 | 42% | 0.423 | 61% | 0.612 | S | S | . | * | trans | 146.7 | 68.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | A30 | G28-A30 PolarHBondContact O-N 3.49Š| ||
| 29 | G | 29.4 | Very low | 29 | Very low | 49 Ų | 49 | 115.4 Ų | 115.4 | 51% | 0.505 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.6 | -19.1 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | H33 | G29-H33 PolarHBondContact O-CD2 2.99Å |
| 30 | A | 29.7 | Very low | 29.4 | Very low | 83 Ų | 83 | 112.5 Ų | 112.5 | 69% | 0.686 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -82.1 | -42 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G28 | G28-A30 PolarHBondContact O-N 3.49Å |
| 31 | I | 29.1 | Very low | 29.8 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 56% | 0.559 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -82.7 | -31.4 | -171.5 | -62.2 | 173.9 | 0 | 0 | 0 | 111.8 | H33 L34 I35 | I31-H33 VanDerWaalsContact C-N 3.33Å; I31-H33 PolarHBondContact O-N 3.08Å; I31-L34 PolarHBondContact O-N 3.16Å; I31-I35 HydrophobicContact CG2-CD1 4.3Å; I31-I35 PolarHBondContact O-N 3.43Å |
| 32 | I | 31.5 | Very low | 30.3 | Very low | 88 Ų | 88 | 105.3 Ų | 105.3 | 45% | 0.451 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.3 | -41.2 | 179.3 | -61.4 | 174.8 | 0 | 0 | 0 | 110.6 | L34 I35 E36 | I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 2.49Å; I32-I35 PolarHBondContact O-N 3.01Å; I32-E36 PolarHBondContact O-N 2.67Å; I32-E36 VanDerWaalsContact O-N 3.08Å |
| 33 | H | 29.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 107.4 Ų | 107.4 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -32.5 | 179.4 | -72 | -49.3 | 0 | 0 | 0 | 113.1 | G29 I31 A37 | G29-H33 PolarHBondContact O-CD2 2.99Å; I31-H33 VanDerWaalsContact C-N 3.33Å; I31-H33 PolarHBondContact O-N 3.08Å; H33-A37 WeakPolarHBondContact O-CB 3.25Å; H33-A37 PolarHBondContact O-N 2.87Å |
| 34 | L | 30.4 | Very low | 31 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 69% | 0.686 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.5 | -39.8 | 177.7 | -138.4 | 89.3 | 0 | 0 | 0 | 111.6 | I31 I32 A37 T38 | I31-L34 PolarHBondContact O-N 3.16Å; I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 2.49Å; L34-A37 PolarHBondContact O-N 2.96Å; L34-T38 PolarHBondContact O-N 2.89Å; L34-T38 PolarHBondContact O-OG1 3.23Å |
| 35 | I | 31.3 | Very low | 31.4 | Very low | 90 Ų | 90 | 108.5 Ų | 108.5 | 46% | 0.462 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -44 | 177.8 | -64 | 171.8 | 0 | 0 | 0 | 110.2 | I31 I32 T38 K39 | I31-I35 HydrophobicContact CG2-CD1 4.3Å; I31-I35 PolarHBondContact O-N 3.43Å; I32-I35 PolarHBondContact O-N 3.01Å; I35-T38 WeakPolarHBondContact CA-OG1 3.4Å; I35-T38 PolarHBondContact O-N 3.21Å; I35-T38 PolarHBondContact O-OG1 3.12Å; I35-K39 PolarHBondContact O-N 3.23Å; I35-K39 VanDerWaalsContact O-N 3.08Å |
| 36 | E | 33.6 | Very low | 32 | Very low | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.7 | -42.5 | 175.1 | -76.6 | -172.6 | 158 | 0 | 0 | 112.1 | I32 T38 K39 L40 | I32-E36 PolarHBondContact O-N 2.67Å; I32-E36 VanDerWaalsContact O-N 3.08Å; E36-T38 PolarHBondContact O-N 2.96Å; E36-K39 PolarHBondContact O-N 2.97Å; E36-L40 WeakPolarHBondContact O-CB 3.02Å; E36-L40 PolarHBondContact O-N 2.79Å |
| 37 | A | 32.1 | Very low | 32.2 | Very low | 47 Ų | 47 | 105.4 Ų | 105.4 | 39% | 0.388 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.6 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H33 L34 K39 L40 L41 | H33-A37 WeakPolarHBondContact O-CB 3.25Å; H33-A37 PolarHBondContact O-N 2.87Å; L34-A37 PolarHBondContact O-N 2.96Å; A37-K39 PolarHBondContact O-N 2.94Å; A37-L40 PolarHBondContact O-N 2.89Å; A37-L41 WeakPolarHBondContact O-CB 3.17Å; A37-L41 PolarHBondContact O-N 2.83Å |
| 38 | T | 34.1 | Very low | 32.3 | Very low | 85 Ų | 85 | 102.5 Ų | 102.5 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 174.2 | 39.6 | 0 | 0 | 0 | 0 | 113.2 | L34 I35 E36 S42 | L34-T38 PolarHBondContact O-N 2.89Å; L34-T38 PolarHBondContact O-OG1 3.23Å; I35-T38 WeakPolarHBondContact CA-OG1 3.4Å; I35-T38 PolarHBondContact O-N 3.21Å; I35-T38 PolarHBondContact O-OG1 3.12Å; E36-T38 PolarHBondContact O-N 2.96Å; T38-S42 PolarHBondContact O-N 3.35Å |
| 39 | K | 33.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 104.1 Ų | 104.1 | 46% | 0.457 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.9 | -40.5 | 173.5 | -74.8 | -179.1 | -179.6 | 177 | 0 | 111.5 | I35 E36 A37 S42 Y43 | I35-K39 PolarHBondContact O-N 3.23Å; I35-K39 VanDerWaalsContact O-N 3.08Å; E36-K39 PolarHBondContact O-N 2.97Å; A37-K39 PolarHBondContact O-N 2.94Å; K39-S42 WeakPolarHBondContact CA-OG 3.4Å; K39-S42 PolarHBondContact O-N 3.21Å; K39-S42 PolarHBondContact O-OG 3.46Å; K39-Y43 PolarHBondContact O-N 2.69Å |
| 40 | L | 38 | Very low | 31.9 | Very low | 88 Ų | 88 | 105.9 Ų | 105.9 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -40.1 | 176.9 | -135.5 | 104.4 | 0 | 0 | 0 | 111.9 | E36 A37 S42 Y43 L44 L139 | E36-L40 WeakPolarHBondContact O-CB 3.02Å; E36-L40 PolarHBondContact O-N 2.79Å; A37-L40 PolarHBondContact O-N 2.89Å; L40-S42 VanDerWaalsContact C-N 3.34Å; L40-Y43 WeakPolarHBondContact O-CB 3.3Å; L40-Y43 PolarHBondContact O-N 3.26Å; L40-L44 HydrophobicContact CD2-CD1 4.47Å; L40-L44 PolarHBondContact O-N 2.85Å; L40-L139 HydrophobicContact CD2-CD2 3.65Å |
| 41 | L | 35.2 | Very low | 31.6 | Very low | 108 Ų | 108 | 107.5 Ų | 107.5 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.9 | -35.3 | 172.7 | -88.6 | 155 | 0 | 0 | 0 | 112.2 | A37 Y43 L44 R45 | A37-L41 WeakPolarHBondContact O-CB 3.17Å; A37-L41 PolarHBondContact O-N 2.83Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-L44 PolarHBondContact O-N 2.97Å; L41-R45 VanDerWaalsContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CB 3.33Å; L41-R45 WeakPolarHBondContact O-CG 3.29Å; L41-R45 PolarHBondContact O-N 3.22Å |
| 42 | S | 37.4 | Very low | 31.3 | Very low | 56 Ų | 56 | 108.7 Ų | 108.7 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.5 | -35.3 | 172.9 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | T38 K39 L40 R45 L46 | T38-S42 PolarHBondContact O-N 3.35Å; K39-S42 WeakPolarHBondContact CA-OG 3.4Å; K39-S42 PolarHBondContact O-N 3.21Å; K39-S42 PolarHBondContact O-OG 3.46Å; L40-S42 VanDerWaalsContact C-N 3.34Å; S42-R45 WeakPolarHBondContact O-CB 3.34Å; S42-R45 PolarHBondContact O-N 3.38Å; S42-L46 PolarHBondContact O-N 2.8Å; S42-L46 VanDerWaalsContact O-N 3.1Å |
| 43 | Y | 35.6 | Very low | 30.7 | Very low | 138 Ų | 138 | 115.9 Ų | 115.9 | 54% | 0.541 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.5 | -42.3 | 173.8 | -100.4 | -89.9 | 0 | 0 | 0 | 112.4 | K39 L40 L41 R45 L46 M47 | K39-Y43 PolarHBondContact O-N 2.69Å; L40-Y43 WeakPolarHBondContact O-CB 3.3Å; L40-Y43 PolarHBondContact O-N 3.26Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-R45 VanDerWaalsContact C-N 3.3Å; Y43-R45 PolarHBondContact O-N 2.84Å; Y43-L46 WeakPolarHBondContact O-CB 3.13Å; Y43-L46 PolarHBondContact O-N 3.23Å; Y43-M47 WeakPolarHBondContact O-CG 3.14Å; Y43-M47 PolarHBondContact O-N 2.84Å |
| 44 | L | 32 | Very low | 30.3 | Very low | 73 Ų | 73 | 114 Ų | 114 | 38% | 0.382 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.9 | -33.4 | 172.4 | -88.2 | 152.9 | 0 | 0 | 0 | 112 | L40 L41 M47 L48 | L40-L44 HydrophobicContact CD2-CD1 4.47Å; L40-L44 PolarHBondContact O-N 2.85Å; L41-L44 PolarHBondContact O-N 2.97Å; L44-M47 PolarHBondContact O-N 2.93Å; L44-L48 HydrophobicContact CD2-CD1 4.44Å; L44-L48 PolarHBondContact O-N 3.34Å; L44-L48 VanDerWaalsContact O-N 3.1Å |
| 45 | R | 30.5 | Very low | 29.8 | Very low | 195 Ų | 195 | 114.6 Ų | 114.6 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.3 | -39.4 | 172.1 | -94.8 | -179.6 | 175.8 | 177.8 | -0.3 | 112.9 | L41 S42 Y43 M47 | L41-R45 VanDerWaalsContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CB 3.33Å; L41-R45 WeakPolarHBondContact O-CG 3.29Å; L41-R45 PolarHBondContact O-N 3.22Å; S42-R45 WeakPolarHBondContact O-CB 3.34Å; S42-R45 PolarHBondContact O-N 3.38Å; Y43-R45 VanDerWaalsContact C-N 3.3Å; Y43-R45 PolarHBondContact O-N 2.84Å; R45-M47 VanDerWaalsContact C-N 3.27Å; R45-M47 PolarHBondContact O-N 2.85Å |
| 46 | L | 36.2 | Very low | 29.4 | Very low | 143 Ų | 143 | 115 Ų | 115 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.3 | -33 | 173.8 | -96.3 | 152.3 | 0 | 0 | 0 | 112 | S42 Y43 | S42-L46 PolarHBondContact O-N 2.8Å; S42-L46 VanDerWaalsContact O-N 3.1Å; Y43-L46 WeakPolarHBondContact O-CB 3.13Å; Y43-L46 PolarHBondContact O-N 3.23Å |
| 47 | M | 31.8 | Very low | 28.9 | Very low | 156 Ų | 156 | 115.2 Ų | 115.2 | 77% | 0.768 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -81.1 | -27.6 | -178.4 | -67.2 | -74.3 | -93.6 | 0 | 0 | 114.1 | Y43 L44 R45 | Y43-M47 WeakPolarHBondContact O-CG 3.14Å; Y43-M47 PolarHBondContact O-N 2.84Å; L44-M47 PolarHBondContact O-N 2.93Å; R45-M47 VanDerWaalsContact C-N 3.27Å; R45-M47 PolarHBondContact O-N 2.85Å |
| 48 | L | 29.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 116.8 Ų | 116.8 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -108.7 | 7.8 | -170.5 | -74.1 | 167.7 | 0 | 0 | 0 | 115.7 | L44 A50 | L44-L48 HydrophobicContact CD2-CD1 4.44Å; L44-L48 PolarHBondContact O-N 3.34Å; L44-L48 VanDerWaalsContact O-N 3.1Å; L48-A50 PolarHBondContact O-N 2.84Å |
| 49 | G | 26.4 | Very low | 27.8 | Very low | 75 Ų | 75 | 116.6 Ų | 116.6 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | 59.8 | 18.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 50 | A | 23.7 | Very low | 27.1 | Very low | 85 Ų | 85 | 114.9 Ų | 114.9 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | trans | -96 | 112.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | L48 | L48-A50 PolarHBondContact O-N 2.84Š| ||
| 51 | S | 22 | Very low | 26.3 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -74.5 | 115.5 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 52 | V | 22.3 | Very low | 25.6 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -140.8 | 127.5 | 159.1 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 53 | R | 19.8 | Very low | 24.7 | Very low | 240 Ų | 240 | 122.2 Ų | 122.2 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -60.4 | 140.7 | 179.3 | -83.9 | 178.2 | 174.4 | -172.2 | -2.1 | 112.1 | ||||
| 54 | G | 21.1 | Very low | 23.9 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -71.5 | 153.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 55 | V | 20.1 | Very low | 23.5 | Very low | 143 Ų | 143 | 129 Ų | 129 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -121.2 | 116.4 | 159.3 | 176.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 56 | A | 21.8 | Very low | 23 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -83 | 117.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 57 | S | 23.7 | Very low | 22.3 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -103.6 | 77.2 | 163.3 | 58.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 58 | G | 21.3 | Very low | 21.8 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -82.3 | 121.9 | 156 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 59 | G | 21.4 | Very low | 21.7 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -137.7 | 82.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 60 | G | 20.4 | Very low | 21.5 | Very low | 69 Ų | 69 | 135.1 Ų | 135.1 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -114.2 | 130.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 61 | L | 20.3 | Very low | 21.5 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -169.2 | 110.9 | 161.1 | -132.2 | 79.8 | 0 | 0 | 0 | 108.6 | ||||
| 62 | L | 19.6 | Very low | 21.6 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | 69.2 | 105.7 | 102.4 | -156.3 | 83.8 | 0 | 0 | 0 | 115 | I64 | L62-I64 HydrophobicContact CD2-CD1 4.5Š| |||
| 63 | A | 20.2 | Very low | 21.7 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | -116.5 | 132.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 64 | I | 18.5 | Very low | 21.8 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | trans | -108.1 | 133.1 | -179.4 | -64.9 | 172.7 | 0 | 0 | 0 | 108.8 | L62 | L62-I64 HydrophobicContact CD2-CD1 4.5Š| ||
| 65 | Y | 22.2 | Very low | 22.1 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -89.6 | 152.5 | -179.4 | -57.5 | -94.1 | 0 | 0 | 0 | 111 | ||||
| 66 | P | 20.6 | Very low | 22.4 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | -159.9 | 166 | 96.9 | 37.4 | -16.2 | 0 | 0 | 0 | 118.8 | |||||
| 67 | N | 22.1 | Very low | 22.8 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | 80.8 | 108.1 | 145.1 | -96 | -11.5 | 0 | 0 | 0 | 124.8 | ||||
| 68 | R | 21.7 | Very low | 22.9 | Very low | 193 Ų | 193 | 126.7 Ų | 126.7 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | 59.5 | 117.4 | 113.8 | -149.3 | -178.9 | -130.7 | -157.2 | 3.7 | 120.1 | |||||
| 69 | Y | 26.8 | Very low | 23.3 | Very low | 207 Ų | 207 | 128.6 Ų | 128.6 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | 179.8 | 129.5 | 107.6 | -94.5 | -75.9 | 0 | 0 | 0 | 110.2 | |||||
| 70 | D | 21.8 | Very low | 23.5 | Very low | 165 Ų | 165 | 127 Ų | 127 | 88% | 0.882 | 70% | 0.696 | S | S | * | * | trans | -78.4 | 135.4 | 178.6 | -82.7 | -49.5 | 0 | 0 | 0 | 112.6 | ||||
| 71 | C | 24.2 | Very low | 23.6 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -144.3 | 140.7 | 149.2 | -88.5 | 0 | 0 | 0 | 0 | 109.7 | C73 | C71-C73 PolarHBondContact O-N 2.97Š| ||
| 72 | P | 23 | Very low | 23.7 | Very low | 135 Ų | 135 | 134 Ų | 134 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -90 | 103.7 | -170.6 | 34.3 | -29.5 | 0 | 0 | 0 | 111.1 | ||||
| 73 | C | 24.4 | Very low | 23.9 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 57% | 0.568 | 71% | 0.706 | S | S | * | * | trans | -110.2 | 119.7 | 162.4 | -62.5 | 0 | 0 | 0 | 0 | 107.8 | C71 F75 | C71-C73 PolarHBondContact O-N 2.97Å; C73-F75 HydrophobicContact CB-CD2 3.99Å; C73-F75 HydrophobicContact CB-CE1 4.43Å; C73-F75 HydrophobicContact CB-CE2 3.4Å; C73-F75 HydrophobicContact CB-CZ 3.66Å; C73-F75 VanDerWaalsContact O-CD2 3.3Å; C73-F75 WeakPolarHBondContact O-CD2 3.34Å; C73-F75 PolarHBondContact O-N 2.97Å; C73-F75 VanDerWaalsContact O-N 3.08Å | ||
| 74 | Q | 23.8 | Very low | 24.1 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 93% | 0.925 | 71% | 0.709 | S | S | * | * | trans | -73.1 | 99.8 | 173.1 | -76.7 | -174.9 | -20.9 | 0 | 0 | 109.1 | ||||
| 75 | F | 26.5 | Very low | 24.3 | Very low | 126 Ų | 126 | 136 Ų | 136 | 55% | 0.553 | 71% | 0.713 | S | S | * | * | trans | -91.9 | 134.2 | 171.3 | -64.8 | -74 | 0 | 0 | 0 | 110.1 | C73 V160 | C73-F75 HydrophobicContact CB-CD2 3.99Å; C73-F75 HydrophobicContact CB-CE1 4.43Å; C73-F75 HydrophobicContact CB-CE2 3.4Å; C73-F75 HydrophobicContact CB-CZ 3.66Å; C73-F75 VanDerWaalsContact O-CD2 3.3Å; C73-F75 WeakPolarHBondContact O-CD2 3.34Å; C73-F75 PolarHBondContact O-N 2.97Å; C73-F75 VanDerWaalsContact O-N 3.08Å; F75-V160 HydrophobicContact CB-CG1 3.99Å; F75-V160 HydrophobicContact CD1-CG1 3.13Å; F75-V160 HydrophobicContact CE1-CG1 3.68Å; F75-V160 HydrophobicContact CG-CG1 3.71Å | ||
| 76 | S | 26.3 | Very low | 24.2 | Very low | 60 Ų | 60 | 137.6 Ų | 137.6 | 42% | 0.42 | 72% | 0.717 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 112.5 | 165.9 | -60.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 77 | V | 29.9 | Very low | 24.4 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 120 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 108 | D79 | V77-D79 PolarHBondContact O-N 2.95Å |
| 78 | L | 27.1 | Very low | 24.4 | Very low | 28 Ų | 28 | 133.9 Ų | 133.9 | 15% | 0.147 | 71% | 0.711 | C | S | . | * | S | Bend | trans | -85.8 | 108.3 | 172 | -77.6 | 151.7 | 0 | 0 | 0 | 108.5 | S247 A248 | L78-S247 WeakPolarHBondContact CD2-O 3.31Å; L78-A248 HydrophobicContact CD1-CB 3.51Å; L78-A248 HydrophobicContact CD2-CB 3.37Å; L78-A248 HydrophobicContact CG-CB 3.85Å |
| 79 | D | 28.6 | Very low | 24.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 68.8 | 87 | 174.8 | -132.1 | -4.8 | 0 | 0 | 0 | 115.7 | V77 Q246 | V77-D79 PolarHBondContact O-N 2.95Å; D79-Q246 PolarHBondContact OD2-NE2 2.76Å |
| 80 | G | 26 | Very low | 24.5 | Very low | 48 Ų | 48 | 134 Ų | 134 | 50% | 0.495 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -179.8 | 105.8 | 169 | 0 | 0 | 0 | 0 | 0 | 107 | V82 | G80-V82 PolarHBondContact O-N 2.81Š|
| 81 | R | 22.3 | Very low | 24.6 | Very low | 246 Ų | 246 | 133.4 Ų | 133.4 | 93% | 0.928 | 71% | 0.709 | S | S | * | * | trans | -33.2 | 126.7 | -170.9 | -72.2 | 178.1 | 177.1 | 179.1 | -0.9 | 114.2 | I83 | R81-I83 PolarHBondContact O-N 3.14Š| ||
| 82 | V | 22 | Very low | 24.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | -59.7 | 124.9 | 172.7 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | G80 | G80-V82 PolarHBondContact O-N 2.81Š| ||
| 83 | I | 24.9 | Very low | 24.4 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 83% | 0.831 | 71% | 0.711 | S | S | * | * | trans | -103 | 115.5 | 161 | -52.8 | 177.7 | 0 | 0 | 0 | 106.5 | R81 | R81-I83 PolarHBondContact O-N 3.14Š| ||
| 84 | S | 22.5 | Very low | 24.2 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -69.1 | 129.3 | 175.8 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 85 | N | 22.9 | Very low | 24.1 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -95 | 106.3 | 175.4 | -168.3 | -3.4 | 0 | 0 | 0 | 108.3 | ||||
| 86 | R | 21.6 | Very low | 23.8 | Very low | 233 Ų | 233 | 139.2 Ų | 139.2 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | trans | -125.7 | 114.8 | 161.4 | -177.7 | 177.3 | -104.2 | -158 | -2.2 | 109 | ||||
| 87 | A | 23.5 | Very low | 23.5 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | trans | 64.9 | 114.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 88 | S | 23.8 | Very low | 23.3 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | 137.2 | 117.3 | 111.3 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 89 | H | 25.5 | Very low | 23.1 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 3.8 | 121.1 | 157.6 | -77 | -83.7 | 0 | 0 | 0 | 117.6 | ||
| 90 | R | 24.9 | Very low | 22.9 | Very low | 227 Ų | 227 | 148.6 Ų | 148.6 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 82 | 121.7 | 163 | -55.3 | 177.9 | 178.8 | -174.3 | -0.4 | 113.8 | ||
| 91 | E | 23.2 | Very low | 22.8 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 81.6 | 87.9 | 168.3 | -55 | 174.6 | -173.2 | 0 | 0 | 116.1 | W93 | E91-W93 PolarHBondContact O-N 2.99Š| ||
| 92 | T | 22.6 | Very low | 22.9 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | trans | -78.2 | 108.3 | 166.4 | -29.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 93 | W | 20 | Very low | 22.9 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 114.9 | 171.5 | -62.8 | 85.4 | 0 | 0 | 0 | 109.7 | E91 L95 | E91-W93 PolarHBondContact O-N 2.99Å; W93-L95 PolarHBondContact O-N 2.9Å | ||
| 94 | L | 21.2 | Very low | 22.8 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -85.3 | 92.5 | 164.8 | -157.4 | 87.5 | 0 | 0 | 0 | 108.2 | L96 | L94-L96 PolarHBondContact O-N 2.85Š| ||
| 95 | L | 20.6 | Very low | 22.7 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -77.7 | 102 | 172.6 | -158.5 | 89.1 | 0 | 0 | 0 | 108.7 | W93 V97 | W93-L95 PolarHBondContact O-N 2.9Å; L95-V97 HydrophobicContact CD2-CG2 3.93Å; L95-V97 PolarHBondContact O-N 2.74Å; L95-V97 VanDerWaalsContact O-N 3.11Å | ||
| 96 | L | 20.1 | Very low | 22.8 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | trans | -71.6 | 99.3 | 166.9 | -73.6 | 168.8 | 0 | 0 | 0 | 108.5 | L94 F98 | L94-L96 PolarHBondContact O-N 2.85Å; L96-F98 HydrophobicContact CB-CD2 4.25Å; L96-F98 HydrophobicContact CB-CE2 3.85Å; L96-F98 HydrophobicContact CD1-CE2 4.28Å; L96-F98 HydrophobicContact CD1-CZ 4.45Å; L96-F98 PolarHBondContact O-N 2.97Å; L96-F98 VanDerWaalsContact O-N 3.08Å | ||
| 97 | V | 21.2 | Very low | 22.9 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | -75.6 | 94 | 168.9 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | L95 A99 | L95-V97 HydrophobicContact CD2-CG2 3.93Å; L95-V97 PolarHBondContact O-N 2.74Å; L95-V97 VanDerWaalsContact O-N 3.11Å; V97-A99 PolarHBondContact O-N 3.12Å | ||
| 98 | F | 24.2 | Very low | 23 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | -70.3 | 114.2 | 160.1 | -69.1 | -83.2 | 0 | 0 | 0 | 107.5 | L96 N100 | L96-F98 HydrophobicContact CB-CD2 4.25Å; L96-F98 HydrophobicContact CB-CE2 3.85Å; L96-F98 HydrophobicContact CD1-CE2 4.28Å; L96-F98 HydrophobicContact CD1-CZ 4.45Å; L96-F98 PolarHBondContact O-N 2.97Å; L96-F98 VanDerWaalsContact O-N 3.08Å; F98-N100 PolarHBondContact O-N 3Å | ||
| 99 | A | 23.7 | Very low | 23.2 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -58.5 | 123.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | V97 | V97-A99 PolarHBondContact O-N 3.12Š|
| 100 | N | 25.2 | Very low | 23.6 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | trans | 69.1 | 81 | 170.5 | -70.9 | -14.4 | 0 | 0 | 0 | 117.8 | F98 | F98-N100 PolarHBondContact O-N 3Š| ||
| 101 | Q | 23.3 | Very low | 24 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | -126.9 | 103.9 | 142.4 | -72.6 | -164.4 | -2.2 | 0 | 0 | 110.3 | ||||
| 102 | S | 23.1 | Very low | 24.5 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -132.1 | 110 | 152.2 | 58.9 | 0 | 0 | 0 | 0 | 108.2 | S104 | S102-S104 PolarHBondContact O-N 3.48Š| ||
| 103 | P | 23.1 | Very low | 25.1 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | trans | -81.8 | 100.1 | 176.3 | 29.9 | -28 | 0 | 0 | 0 | 108.6 | V105 | P103-V105 PolarHBondContact O-N 2.99Å; P103-V105 VanDerWaalsContact O-N 3.16Å | ||
| 104 | S | 22.6 | Very low | 26 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -77.6 | 95.4 | 166.3 | 34.6 | 0 | 0 | 0 | 0 | 109.5 | S102 L106 | S102-S104 PolarHBondContact O-N 3.48Å; S104-L106 PolarHBondContact O-N 2.98Å | ||
| 105 | V | 21.3 | Very low | 26.9 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | trans | -69.9 | 95.2 | 167.8 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | P103 S107 | P103-V105 PolarHBondContact O-N 2.99Å; P103-V105 VanDerWaalsContact O-N 3.16Å; V105-S107 PolarHBondContact O-N 3.42Å | ||
| 106 | L | 23.2 | Very low | 27.8 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | trans | -72.8 | 101.3 | 166.5 | -92.7 | 152.8 | 0 | 0 | 0 | 108.7 | S104 V108 | S104-L106 PolarHBondContact O-N 2.98Å; L106-V108 PolarHBondContact O-N 2.87Å | ||
| 107 | S | 24.6 | Very low | 29.1 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | trans | -69.8 | 109.6 | 168.3 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | V105 | V105-S107 PolarHBondContact O-N 3.42Š| ||
| 108 | V | 26.1 | Very low | 30.3 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 62% | 0.618 | 67% | 0.667 | S | S | * | * | trans | -81 | 125.7 | 171.5 | -178 | 0 | 0 | 0 | 0 | 108.1 | L106 | L106-V108 PolarHBondContact O-N 2.87Š| ||
| 109 | N | 26.8 | Very low | 31.4 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | trans | -76.8 | 132.6 | -176.4 | -147.8 | -5.4 | 0 | 0 | 0 | 109.8 | T111 T112 | N109-T111 PolarHBondContact O-N 3.37Å; N109-T112 PolarHBondContact O-N 2.79Å; N109-T112 PolarHBondContact O-OG1 3.06Å | ||
| 110 | R | 33.8 | Very low | 32.6 | Very low | 208 Ų | 208 | 120.8 Ų | 120.8 | 79% | 0.785 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -59.2 | -19.6 | -175.2 | -73.3 | -173.5 | -165.6 | 175.6 | 4.6 | 114.3 | ||
| 111 | T | 33.4 | Very low | 34 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.5 | -29.2 | 177.5 | 49.2 | 0 | 0 | 0 | 0 | 113 | N109 | N109-T111 PolarHBondContact O-N 3.37Å |
| 112 | T | 34.1 | Very low | 35.5 | Very low | 70 Ų | 70 | 115.4 Ų | 115.4 | 43% | 0.429 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -76.8 | -28.2 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | N109 A115 L116 | N109-T112 PolarHBondContact O-N 2.79Å; N109-T112 PolarHBondContact O-OG1 3.06Å; T112-A115 PolarHBondContact O-N 3.01Å; T112-L116 PolarHBondContact O-N 2.79Å |
| 113 | E | 36.2 | Very low | 37 | Very low | 96 Ų | 96 | 113.1 Ų | 113.1 | 45% | 0.449 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.5 | -48.4 | 179.7 | -161.7 | 171.1 | -159.1 | 0 | 0 | 111.4 | A115 L116 E117 | E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 2.87Å; E113-L116 PolarHBondContact O-N 2.81Å; E113-E117 PolarHBondContact O-N 2.81Å; E113-E117 VanDerWaalsContact O-N 3.17Å |
| 114 | R | 38.7 | Very low | 39.2 | Very low | 202 Ų | 202 | 113.7 Ų | 113.7 | 76% | 0.762 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.8 | -32.8 | 177.7 | -71 | -174.7 | 175.4 | -178.3 | -2.1 | 113.7 | L116 Y118 | R114-L116 VanDerWaalsContact C-N 3.29Å; R114-Y118 PolarHBondContact O-N 3.22Å |
| 115 | A | 39.6 | Very low | 41.4 | Very low | 54 Ų | 54 | 119.5 Ų | 119.5 | 45% | 0.446 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.1 | -27.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | T112 E113 N119 | T112-A115 PolarHBondContact O-N 3.01Å; E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 2.87Å; A115-N119 PolarHBondContact O-ND2 3.23Å |
| 116 | L | 40.2 | Very low | 43.8 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.5 | -42.4 | 175.3 | -82.9 | 157.7 | 0 | 0 | 0 | 111.8 | T112 E113 R114 Y118 N119 V120 | T112-L116 PolarHBondContact O-N 2.79Å; E113-L116 PolarHBondContact O-N 2.81Å; R114-L116 VanDerWaalsContact C-N 3.29Å; L116-Y118 VanDerWaalsContact C-N 3.35Å; L116-Y118 PolarHBondContact O-N 3.22Å; L116-N119 PolarHBondContact O-N 2.89Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 2.79Å |
| 117 | E | 45.8 | Very low | 46.1 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -57.8 | -44.5 | 178.3 | -73.2 | 179.7 | 164 | 0 | 0 | 112.6 | E113 N119 V120 A121 | E113-E117 PolarHBondContact O-N 2.81Å; E113-E117 VanDerWaalsContact O-N 3.17Å; E117-N119 PolarHBondContact O-N 2.95Å; E117-V120 PolarHBondContact O-N 2.84Å; E117-A121 PolarHBondContact O-N 2.88Å |
| 118 | Y | 46.5 | Very low | 48.3 | Very low | 160 Ų | 160 | 117.4 Ų | 117.4 | 63% | 0.627 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.1 | -37 | -178.1 | -170.6 | -98.6 | 0 | 0 | 0 | 113 | R114 L116 N122 | R114-Y118 PolarHBondContact O-N 3.22Å; L116-Y118 VanDerWaalsContact C-N 3.35Å; L116-Y118 PolarHBondContact O-N 3.22Å; Y118-N122 PolarHBondContact O-N 3Å |
| 119 | N | 46.9 | Very low | 50.6 | Low | 103 Ų | 103 | 114.8 Ų | 114.8 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.8 | -32.1 | -179.2 | -76.5 | -47.4 | 0 | 0 | 0 | 112.5 | A115 L116 E117 M123 | A115-N119 PolarHBondContact O-ND2 3.23Å; L116-N119 PolarHBondContact O-N 2.89Å; E117-N119 PolarHBondContact O-N 2.95Å; N119-M123 WeakPolarHBondContact O-CG 3.49Å |
| 120 | V | 50.9 | Low | 53 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.1 | -36.3 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | L116 E117 N122 M123 L128 | L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 2.79Å; E117-V120 PolarHBondContact O-N 2.84Å; V120-N122 VanDerWaalsContact C-N 3.29Å; V120-N122 PolarHBondContact O-N 2.9Å; V120-M123 PolarHBondContact O-N 3.49Å; V120-L128 HydrophobicContact CG1-CD2 4.18Å |
| 121 | A | 54.5 | Low | 55 | Low | 79 Ų | 79 | 109.2 Ų | 109.2 | 65% | 0.653 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -30.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E117 | E117-A121 PolarHBondContact O-N 2.88Å |
| 122 | N | 54.9 | Low | 57.2 | Low | 118 Ų | 118 | 107.8 Ų | 107.8 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 6.9 | -178.8 | -85 | -3 | 0 | 0 | 0 | 114.3 | Y118 V120 | Y118-N122 PolarHBondContact O-N 3Å; V120-N122 VanDerWaalsContact C-N 3.29Å; V120-N122 PolarHBondContact O-N 2.9Å |
| 123 | M | 54.3 | Low | 59.3 | Low | 57 Ų | 57 | 113.3 Ų | 113.3 | 28% | 0.281 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -81.4 | 135.8 | 175.7 | -85.4 | 157.4 | 60.3 | 0 | 0 | 111.5 | N119 V120 R125 F127 L128 L131 | N119-M123 WeakPolarHBondContact O-CG 3.49Å; V120-M123 PolarHBondContact O-N 3.49Å; M123-R125 PolarHBondContact O-N 3.45Å; M123-F127 HydrophobicContact CB-CD1 4.48Å; M123-F127 HydrophobicContact CE-CD1 3.43Å; M123-F127 VanDerWaalsContact CE-CD1 3.43Å; M123-F127 HydrophobicContact CE-CE1 3.63Å; M123-F127 HydrophobicContact CG-CD1 4.13Å; M123-F127 HydrophobicContact SD-CD1 4.44Å; M123-L128 HydrophobicContact CB-CD1 4.39Å; M123-L128 HydrophobicContact CB-CD2 4Å; M123-L128 HydrophobicContact CB-CG 3.95Å; M123-L128 HydrophobicContact CE-CD2 3.61Å; M123-L128 HydrophobicContact CE-CG 4.44Å; M123-L131 HydrophobicContact CE-CD1 3.14Å |
| 124 | D | 68.2 | Low | 61.4 | Low | 132 Ų | 132 | 112.6 Ų | 112.6 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | trans | -54.1 | 137.2 | 176.9 | -109.9 | -35.9 | 0 | 0 | 0 | 111.9 | H126 F127 L128 | D124-H126 PolarHBondContact O-N 3.47Å; D124-H126 VanDerWaalsContact O-N 3.12Å; D124-F127 HydrophobicContact CB-CB 4.3Å; D124-F127 WeakPolarHBondContact O-CA 3.35Å; D124-F127 WeakPolarHBondContact O-CB 3.41Å; D124-F127 PolarHBondContact O-N 3.39Å; D124-L128 PolarHBondContact O-N 3.36Å | ||
| 125 | R | 69.6 | Low | 63.4 | Low | 222 Ų | 222 | 107.9 Ų | 107.9 | 84% | 0.838 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -56.1 | -33.8 | -178.1 | -76.4 | -172.8 | -177.4 | -148.9 | 1.6 | 112.9 | M123 A129 | M123-R125 PolarHBondContact O-N 3.45Å; R125-A129 WeakPolarHBondContact O-CB 3.4Å; R125-A129 PolarHBondContact O-N 2.85Å |
| 126 | H | 70.5 | Confident | 65.3 | Low | 158 Ų | 158 | 110.3 Ų | 110.3 | 73% | 0.731 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.8 | -37.9 | 174.7 | -83.1 | -72.7 | 0 | 0 | 0 | 112.6 | D124 A129 Q130 | D124-H126 PolarHBondContact O-N 3.47Å; D124-H126 VanDerWaalsContact O-N 3.12Å; H126-A129 PolarHBondContact O-N 3.25Å; H126-Q130 WeakPolarHBondContact O-CG 3.16Å; H126-Q130 PolarHBondContact O-N 2.85Å |
| 127 | F | 72.3 | Confident | 67.3 | Low | 111 Ų | 111 | 111 Ų | 111 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.9 | -41.1 | 177.9 | -166.9 | -112.3 | 0 | 0 | 0 | 111.3 | M123 D124 A129 Q130 L131 | M123-F127 HydrophobicContact CB-CD1 4.48Å; M123-F127 HydrophobicContact CE-CD1 3.43Å; M123-F127 VanDerWaalsContact CE-CD1 3.43Å; M123-F127 HydrophobicContact CE-CE1 3.63Å; M123-F127 HydrophobicContact CG-CD1 4.13Å; M123-F127 HydrophobicContact SD-CD1 4.44Å; D124-F127 HydrophobicContact CB-CB 4.3Å; D124-F127 WeakPolarHBondContact O-CA 3.35Å; D124-F127 WeakPolarHBondContact O-CB 3.41Å; D124-F127 PolarHBondContact O-N 3.39Å; F127-A129 PolarHBondContact O-N 2.81Å; F127-Q130 PolarHBondContact O-N 3.4Å; F127-L131 HydrophobicContact CD1-CD1 3.61Å; F127-L131 HydrophobicContact CE1-CD1 3.43Å; F127-L131 VanDerWaalsContact CE1-CD1 3.43Å; F127-L131 HydrophobicContact CE1-CG 4.3Å; F127-L131 HydrophobicContact CG-CD1 4.4Å; F127-L131 HydrophobicContact CZ-CD1 4.08Å; F127-L131 WeakPolarHBondContact O-CB 3.42Å; F127-L131 PolarHBondContact O-N 3.31Å |
| 128 | L | 70.9 | Confident | 68.8 | Low | 64 Ų | 64 | 109.4 Ų | 109.4 | 34% | 0.335 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -41.6 | 172.9 | -70.5 | 172.5 | 0 | 0 | 0 | 112.2 | V120 M123 D124 L131 S132 | V120-L128 HydrophobicContact CG1-CD2 4.18Å; M123-L128 HydrophobicContact CB-CD1 4.39Å; M123-L128 HydrophobicContact CB-CD2 4Å; M123-L128 HydrophobicContact CB-CG 3.95Å; M123-L128 HydrophobicContact CE-CD2 3.61Å; M123-L128 HydrophobicContact CE-CG 4.44Å; D124-L128 PolarHBondContact O-N 3.36Å; L128-L131 PolarHBondContact O-N 2.83Å; L128-S132 WeakPolarHBondContact O-CB 3.38Å; L128-S132 PolarHBondContact O-N 2.72Å |
| 129 | A | 74.6 | Confident | 70.3 | Confident | 47 Ų | 47 | 104.4 Ų | 104.4 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R125 H126 F127 S132 R133 | R125-A129 WeakPolarHBondContact O-CB 3.4Å; R125-A129 PolarHBondContact O-N 2.85Å; H126-A129 PolarHBondContact O-N 3.25Å; F127-A129 PolarHBondContact O-N 2.81Å; A129-S132 PolarHBondContact O-N 2.49Å; A129-S132 PolarHBondContact O-OG 2.89Å; A129-R133 WeakPolarHBondContact O-CG 3.44Å; A129-R133 PolarHBondContact O-N 3.22Å; A129-R133 VanDerWaalsContact O-N 3.15Å |
| 130 | Q | 76.5 | Confident | 71.7 | Confident | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 175.6 | -74.9 | -174.6 | -7.6 | 0 | 0 | 112.1 | H126 F127 S132 R133 V134 | H126-Q130 WeakPolarHBondContact O-CG 3.16Å; H126-Q130 PolarHBondContact O-N 2.85Å; F127-Q130 PolarHBondContact O-N 3.4Å; Q130-S132 VanDerWaalsContact C-N 3.35Å; Q130-S132 PolarHBondContact O-N 2.8Å; Q130-R133 PolarHBondContact O-N 3.08Å; Q130-V134 WeakPolarHBondContact O-CG2 3.37Å; Q130-V134 PolarHBondContact O-N 3.38Å |
| 131 | L | 76.2 | Confident | 72.6 | Confident | 78 Ų | 78 | 101.7 Ų | 101.7 | 41% | 0.408 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 175.4 | -83.6 | 165.4 | 0 | 0 | 0 | 112.1 | M123 F127 L128 R133 V134 L135 | M123-L131 HydrophobicContact CE-CD1 3.14Å; F127-L131 HydrophobicContact CD1-CD1 3.61Å; F127-L131 HydrophobicContact CE1-CD1 3.43Å; F127-L131 VanDerWaalsContact CE1-CD1 3.43Å; F127-L131 HydrophobicContact CE1-CG 4.3Å; F127-L131 HydrophobicContact CG-CD1 4.4Å; F127-L131 HydrophobicContact CZ-CD1 4.08Å; F127-L131 WeakPolarHBondContact O-CB 3.42Å; F127-L131 PolarHBondContact O-N 3.31Å; L128-L131 PolarHBondContact O-N 2.83Å; L131-R133 VanDerWaalsContact C-N 3.29Å; L131-R133 PolarHBondContact O-N 3.3Å; L131-V134 PolarHBondContact O-N 2.84Å; L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 PolarHBondContact O-N 2.6Å |
| 132 | S | 79.3 | Confident | 73.3 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 176.8 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | L128 A129 Q130 L136 | L128-S132 WeakPolarHBondContact O-CB 3.38Å; L128-S132 PolarHBondContact O-N 2.72Å; A129-S132 PolarHBondContact O-N 2.49Å; A129-S132 PolarHBondContact O-OG 2.89Å; Q130-S132 VanDerWaalsContact C-N 3.35Å; Q130-S132 PolarHBondContact O-N 2.8Å; S132-L136 VanDerWaalsContact O-CB 3.29Å; S132-L136 WeakPolarHBondContact O-CB 3.34Å; S132-L136 PolarHBondContact O-N 2.96Å |
| 133 | R | 79 | Confident | 73.8 | Confident | 185 Ų | 185 | 101 Ų | 101 | 70% | 0.698 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.2 | -43.8 | 176.5 | -73.1 | 178.6 | 177 | -170 | -0.8 | 111.6 | A129 Q130 L131 L136 L137 | A129-R133 WeakPolarHBondContact O-CG 3.44Å; A129-R133 PolarHBondContact O-N 3.22Å; A129-R133 VanDerWaalsContact O-N 3.15Å; Q130-R133 PolarHBondContact O-N 3.08Å; L131-R133 VanDerWaalsContact C-N 3.29Å; L131-R133 PolarHBondContact O-N 3.3Å; R133-L136 PolarHBondContact O-N 3.15Å; R133-L137 WeakPolarHBondContact O-CB 3.19Å; R133-L137 WeakPolarHBondContact O-CG 3.49Å; R133-L137 PolarHBondContact O-N 2.98Å |
| 134 | V | 79.5 | Confident | 74 | Confident | 82 Ų | 82 | 104.5 Ų | 104.5 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.4 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | Q130 L131 L137 L138 | Q130-V134 WeakPolarHBondContact O-CG2 3.37Å; Q130-V134 PolarHBondContact O-N 3.38Å; L131-V134 PolarHBondContact O-N 2.84Å; V134-L137 PolarHBondContact O-N 3.32Å; V134-L138 HydrophobicContact CG1-CD1 3.99Å; V134-L138 WeakPolarHBondContact O-CB 3.4Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 3.41Å |
| 135 | L | 80.1 | Confident | 73.3 | Confident | 103 Ų | 103 | 101 Ų | 101 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 177.6 | -157.4 | 88.7 | 0 | 0 | 0 | 111.7 | L131 L138 L139 | L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 PolarHBondContact O-N 2.6Å; L135-L138 PolarHBondContact O-N 2.74Å; L135-L139 HydrophobicContact CD2-CD1 4.48Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.8Å |
| 136 | L | 81.2 | Confident | 72.6 | Confident | 105 Ų | 105 | 94 Ų | 94 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.8 | -172.1 | 70.9 | 0 | 0 | 0 | 111.4 | S132 R133 L139 I140 | S132-L136 VanDerWaalsContact O-CB 3.29Å; S132-L136 WeakPolarHBondContact O-CB 3.34Å; S132-L136 PolarHBondContact O-N 2.96Å; R133-L136 PolarHBondContact O-N 3.15Å; L136-L139 WeakPolarHBondContact O-CB 3.34Å; L136-L139 PolarHBondContact O-N 3.07Å; L136-I140 HydrophobicContact CG-CD1 4.05Å; L136-I140 VanDerWaalsContact O-CG1 3.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.17Å; L136-I140 PolarHBondContact O-N 2.98Å |
| 137 | L | 80.4 | Confident | 71.8 | Confident | 123 Ų | 123 | 92.5 Ų | 92.5 | 64% | 0.644 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 174.7 | -75 | 167.4 | 0 | 0 | 0 | 111.9 | R133 V134 I140 G141 | R133-L137 WeakPolarHBondContact O-CB 3.19Å; R133-L137 WeakPolarHBondContact O-CG 3.49Å; R133-L137 PolarHBondContact O-N 2.98Å; V134-L137 PolarHBondContact O-N 3.32Å; L137-I140 PolarHBondContact O-N 2.95Å; L137-G141 PolarHBondContact O-N 3.04Å |
| 138 | L | 78.7 | Confident | 70.7 | Confident | 100 Ų | 100 | 91.1 Ų | 91.1 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 172.9 | -79.5 | 165.5 | 0 | 0 | 0 | 111.4 | V134 L135 G141 N142 | V134-L138 HydrophobicContact CG1-CD1 3.99Å; V134-L138 WeakPolarHBondContact O-CB 3.4Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 3.41Å; L135-L138 PolarHBondContact O-N 2.74Å; L138-G141 PolarHBondContact O-N 3.36Å; L138-N142 WeakPolarHBondContact O-CB 3.33Å; L138-N142 PolarHBondContact O-N 2.83Å; L138-N142 PolarHBondContact O-ND2 2.88Å |
| 139 | L | 77.8 | Confident | 69.6 | Low | 55 Ų | 55 | 91.4 Ų | 91.4 | 29% | 0.288 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 175.9 | -83.9 | 164.2 | 0 | 0 | 0 | 111.4 | L40 L135 L136 G141 N142 V143 | L40-L139 HydrophobicContact CD2-CD2 3.65Å; L135-L139 HydrophobicContact CD2-CD1 4.48Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.8Å; L136-L139 WeakPolarHBondContact O-CB 3.34Å; L136-L139 PolarHBondContact O-N 3.07Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.26Å; L139-N142 PolarHBondContact O-N 3.11Å; L139-V143 VanDerWaalsContact O-CG2 3.27Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 3.12Å |
| 140 | I | 76.8 | Confident | 68.3 | Low | 84 Ų | 84 | 97.3 Ų | 97.3 | 43% | 0.431 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.4 | -65.3 | 162.9 | 0 | 0 | 0 | 110.3 | L136 L137 N142 V143 Q144 | L136-I140 HydrophobicContact CG-CD1 4.05Å; L136-I140 VanDerWaalsContact O-CG1 3.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.17Å; L136-I140 PolarHBondContact O-N 2.98Å; L137-I140 PolarHBondContact O-N 2.95Å; I140-N142 PolarHBondContact O-N 2.91Å; I140-V143 PolarHBondContact O-N 2.92Å; I140-Q144 WeakPolarHBondContact O-CG 3.49Å; I140-Q144 PolarHBondContact O-N 3.43Å |
| 141 | G | 70.3 | Confident | 67 | Low | 33 Ų | 33 | 94.5 Ų | 94.5 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L137 L138 L139 Q144 A145 | L137-G141 PolarHBondContact O-N 3.04Å; L138-G141 PolarHBondContact O-N 3.36Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.26Å; G141-Q144 PolarHBondContact O-N 2.9Å; G141-A145 WeakPolarHBondContact O-CB 3.26Å; G141-A145 PolarHBondContact O-N 3.45Å |
| 142 | N | 68.4 | Low | 65.9 | Low | 100 Ų | 100 | 97.3 Ų | 97.3 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.7 | -35.2 | 176.4 | -77.4 | -64.1 | 0 | 0 | 0 | 112.7 | L138 L139 I140 A145 S146 | L138-N142 WeakPolarHBondContact O-CB 3.33Å; L138-N142 PolarHBondContact O-N 2.83Å; L138-N142 PolarHBondContact O-ND2 2.88Å; L139-N142 PolarHBondContact O-N 3.11Å; I140-N142 PolarHBondContact O-N 2.91Å; N142-A145 PolarHBondContact O-N 2.73Å; N142-S146 WeakPolarHBondContact O-CB 3.16Å; N142-S146 PolarHBondContact O-N 3.31Å |
| 143 | V | 65.8 | Low | 64.6 | Low | 82 Ų | 82 | 98 Ų | 98 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 174 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L139 I140 S146 L147 | L139-V143 VanDerWaalsContact O-CG2 3.27Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 3.12Å; I140-V143 PolarHBondContact O-N 2.92Å; V143-S146 PolarHBondContact O-N 3.42Å; V143-S146 PolarHBondContact O-OG 2.67Å; V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 WeakPolarHBondContact O-CB 3.44Å; V143-L147 VanDerWaalsContact O-CG 3.26Å; V143-L147 WeakPolarHBondContact O-CG 3.17Å; V143-L147 PolarHBondContact O-N 3.18Å |
| 144 | Q | 57.1 | Low | 63.8 | Low | 131 Ų | 131 | 92.7 Ų | 92.7 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 173.5 | -73.4 | 179 | -60.6 | 0 | 0 | 112.1 | I140 G141 L147 A148 | I140-Q144 WeakPolarHBondContact O-CG 3.49Å; I140-Q144 PolarHBondContact O-N 3.43Å; G141-Q144 PolarHBondContact O-N 2.9Å; Q144-L147 PolarHBondContact O-N 2.91Å; Q144-A148 WeakPolarHBondContact O-CB 3.4Å; Q144-A148 PolarHBondContact O-N 3.48Å |
| 145 | A | 53.9 | Low | 63.5 | Low | 58 Ų | 58 | 89.2 Ų | 89.2 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G141 N142 A148 A149 | G141-A145 WeakPolarHBondContact O-CB 3.26Å; G141-A145 PolarHBondContact O-N 3.45Å; N142-A145 PolarHBondContact O-N 2.73Å; A145-A148 PolarHBondContact O-N 3.33Å; A145-A149 PolarHBondContact O-N 3.08Å |
| 146 | S | 55.5 | Low | 63.7 | Low | 76 Ų | 76 | 86.8 Ų | 86.8 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.6 | -31.6 | 176.7 | 78.2 | 0 | 0 | 0 | 0 | 112.9 | N142 V143 A149 | N142-S146 WeakPolarHBondContact O-CB 3.16Å; N142-S146 PolarHBondContact O-N 3.31Å; V143-S146 PolarHBondContact O-N 3.42Å; V143-S146 PolarHBondContact O-OG 2.67Å; S146-A149 PolarHBondContact O-N 3.39Å |
| 147 | L | 53.4 | Low | 64.2 | Low | 127 Ų | 127 | 84.2 Ų | 84.2 | 67% | 0.665 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.4 | -34.5 | 171.4 | -69.4 | 172.8 | 0 | 0 | 0 | 112.1 | V143 Q144 A149 | V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 WeakPolarHBondContact O-CB 3.44Å; V143-L147 VanDerWaalsContact O-CG 3.26Å; V143-L147 WeakPolarHBondContact O-CG 3.17Å; V143-L147 PolarHBondContact O-N 3.18Å; Q144-L147 PolarHBondContact O-N 2.91Å; L147-A149 VanDerWaalsContact C-N 3.32Å |
| 148 | A | 48.2 | Very low | 64.8 | Low | 82 Ų | 82 | 81 Ų | 81 | 68% | 0.678 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -76 | -19.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q144 A145 E150 | Q144-A148 WeakPolarHBondContact O-CB 3.4Å; Q144-A148 PolarHBondContact O-N 3.48Å; A145-A148 PolarHBondContact O-N 3.33Å; A148-E150 PolarHBondContact O-N 3.28Å |
| 149 | A | 48.4 | Very low | 65.5 | Low | 69 Ų | 69 | 76.4 Ų | 76.4 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | trans | -74.8 | 57.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | A145 S146 L147 S151 | A145-A149 PolarHBondContact O-N 3.08Å; S146-A149 PolarHBondContact O-N 3.39Å; L147-A149 VanDerWaalsContact C-N 3.32Å; A149-S151 PolarHBondContact O-N 2.95Å | ||
| 150 | E | 47.9 | Very low | 66.4 | Low | 171 Ų | 171 | 75.4 Ų | 75.4 | 80% | 0.799 | 45% | 0.445 | S | S | * | . | trans | -57.9 | 92.2 | 149.4 | -76.3 | -173.7 | 177.1 | 0 | 0 | 105.6 | A148 N152 | A148-E150 PolarHBondContact O-N 3.28Å; E150-N152 PolarHBondContact O-N 2.84Å; E150-N152 VanDerWaalsContact O-N 3.11Å | ||
| 151 | S | 49.7 | Very low | 67.3 | Low | 69 Ų | 69 | 71.8 Ų | 71.8 | 48% | 0.483 | 43% | 0.428 | S | S | . | . | trans | -47.4 | 127.4 | 169 | 54.8 | 0 | 0 | 0 | 0 | 106.2 | A149 Y153 | A149-S151 PolarHBondContact O-N 2.95Å; S151-Y153 PolarHBondContact O-N 2.78Å | ||
| 152 | N | 53.3 | Low | 68.5 | Low | 138 Ų | 138 | 72.8 Ų | 72.8 | 74% | 0.738 | 43% | 0.429 | S | S | * | . | trans | -62.3 | 58.7 | 164.3 | -88 | -35.1 | 0 | 0 | 0 | 109.3 | E150 T154 R241 | E150-N152 PolarHBondContact O-N 2.84Å; E150-N152 VanDerWaalsContact O-N 3.11Å; N152-T154 PolarHBondContact O-N 2.82Å; N152-R241 PolarHBondContact OD1-NH2 2.92Å | ||
| 153 | Y | 51.7 | Low | 69.8 | Low | 85 Ų | 85 | 74.9 Ų | 74.9 | 33% | 0.333 | 43% | 0.429 | S | S | . | . | trans | -73.2 | 88.4 | 175 | -166.7 | -105.6 | 0 | 0 | 0 | 105.8 | S151 G155 E179 | S151-Y153 PolarHBondContact O-N 2.78Å; Y153-G155 PolarHBondContact O-N 2.93Å; Y153-E179 HydrophobicContact CE1-CB 3.98Å; Y153-E179 WeakPolarHBondContact CE1-OE2 3.36Å; Y153-E179 PolarHBondContact OH-OE2 3.41Å | ||
| 154 | T | 61.4 | Low | 71.1 | Confident | 74 Ų | 74 | 74.3 Ų | 74.3 | 45% | 0.454 | 42% | 0.423 | S | S | . | . | trans | -72 | 101.8 | 160.4 | 52.9 | 0 | 0 | 0 | 0 | 104.3 | N152 L243 | N152-T154 PolarHBondContact O-N 2.82Å; T154-L243 WeakPolarHBondContact CB-O 3.27Å; T154-L243 WeakPolarHBondContact CG2-O 3.35Å | ||
| 155 | G | 72.5 | Confident | 72.8 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 8% | 0.082 | 39% | 0.394 | C | S | . | . | trans | -48.3 | 158.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y153 Y157 E179 | Y153-G155 PolarHBondContact O-N 2.93Å; G155-Y157 WeakPolarHBondContact O-CD1 3.45Å; G155-E179 VanDerWaalsContact CA-O 3.23Å; G155-E179 WeakPolarHBondContact CA-O 3.45Å | ||
| 156 | S | 85.9 | Confident | 74.6 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -77.6 | 133.3 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | L178 E179 | S156-L178 PolarHBondContact O-N 3.2Å; S156-E179 PolarHBondContact O-N 3.16Å | ||
| 157 | Y | 90.2 | Very high | 76.3 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 159.7 | -177.7 | 60.4 | -91.5 | 0 | 0 | 0 | 111.7 | G155 I159 N176 F244 Q246 | G155-Y157 WeakPolarHBondContact O-CD1 3.45Å; Y157-I159 HydrophobicContact CD2-CD1 3.8Å; Y157-I159 HydrophobicContact CD2-CG1 3.93Å; Y157-I159 HydrophobicContact CE2-CD1 3.8Å; Y157-I159 HydrophobicContact CE2-CG1 4.37Å; Y157-N176 CarbonylContact C-O 3.55Å; Y157-N176 WeakPolarHBondContact CA-O 3.23Å; Y157-F244 HydrophobicContact CD1-CB 4.31Å; Y157-F244 AromaticContact CD1-CD1 3.5Å; Y157-F244 HydrophobicContact CD1-CD1 3.5Å; Y157-F244 VanDerWaalsContact CD1-CD1 3.5Å; Y157-F244 HydrophobicContact CD1-CE1 4.04Å; Y157-F244 HydrophobicContact CD1-CG 4.05Å; Y157-F244 HydrophobicContact CD2-CD1 4.16Å; Y157-F244 HydrophobicContact CD2-CE1 4.16Å; Y157-F244 HydrophobicContact CD2-CG 4.4Å; Y157-F244 HydrophobicContact CD2-CZ 4.45Å; Y157-F244 HydrophobicContact CE1-CB 3.45Å; Y157-F244 VanDerWaalsContact CE1-CB 3.45Å; Y157-F244 AromaticContact CE1-CD1 3.53Å; Y157-F244 HydrophobicContact CE1-CD1 3.53Å; Y157-F244 HydrophobicContact CE1-CE1 4.41Å; Y157-F244 AromaticContact CE1-CG 3.59Å; Y157-F244 HydrophobicContact CE1-CG 3.59Å; Y157-F244 HydrophobicContact CE2-CB 4.36Å; Y157-F244 HydrophobicContact CE2-CD1 4.16Å; Y157-F244 HydrophobicContact CE2-CD2 4.1Å; Y157-F244 HydrophobicContact CE2-CE1 4.49Å; Y157-F244 HydrophobicContact CE2-CE2 4.49Å; Y157-F244 AromaticContact CE2-CG 3.95Å; Y157-F244 HydrophobicContact CE2-CG 3.95Å; Y157-F244 AromaticContact CG-CD1 3.84Å; Y157-F244 HydrophobicContact CG-CD1 3.84Å; Y157-F244 AromaticContact CG-CE1 3.93Å; Y157-F244 HydrophobicContact CG-CE1 3.93Å; Y157-F244 HydrophobicContact CG-CG 4.45Å; Y157-F244 VanDerWaalsContact CZ-CB 3.47Å; Y157-F244 AromaticContact CZ-CD1 3.86Å; Y157-F244 AromaticContact CZ-CG 3.52Å; Y157-F244 WeakPolarHBondContact OH-CB 3.48Å; Y157-Q246 HydrophobicContact CE2-CG 4.08Å; Y157-Q246 WeakPolarHBondContact OH-CG 3.34Å; Y157-Q246 PolarHBondContact OH-NE2 3.41Å |
| 158 | V | 93 | Very high | 78 | Confident | 57 Ų | 57 | 62 Ų | 62 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.3 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 108 | V160 V175 N176 L178 | V158-V160 HydrophobicContact CG1-CG2 4.06Å; V158-V175 WeakPolarHBondContact O-CA 3.43Å; V158-N176 PolarHBondContact N-O 2.88Å; V158-N176 PolarHBondContact O-N 2.82Å; V158-L178 HydrophobicContact CG2-CD1 4.18Å; V158-L178 HydrophobicContact CG2-CG 4.43Å |
| 159 | I | 94.6 | Very high | 80 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.5 | 176.7 | -58.4 | 163.4 | 0 | 0 | 0 | 107.7 | Y157 V173 V174 V175 V233 F244 Q246 | Y157-I159 HydrophobicContact CD2-CD1 3.8Å; Y157-I159 HydrophobicContact CD2-CG1 3.93Å; Y157-I159 HydrophobicContact CE2-CD1 3.8Å; Y157-I159 HydrophobicContact CE2-CG1 4.37Å; I159-V173 HydrophobicContact CG2-CG1 3.73Å; I159-V174 WeakPolarHBondContact CA-O 3.38Å; I159-V175 HydrophobicContact CG1-CG1 4.11Å; I159-V175 HydrophobicContact CG2-CG1 4.35Å; I159-V233 HydrophobicContact CD1-CB 4.29Å; I159-V233 HydrophobicContact CD1-CG1 4.11Å; I159-V233 HydrophobicContact CG2-CG2 4.38Å; I159-F244 HydrophobicContact CD1-CD2 4.11Å; I159-F244 HydrophobicContact CD1-CE2 3.4Å; I159-F244 HydrophobicContact CD1-CZ 3.72Å; I159-F244 HydrophobicContact CG1-CZ 4.48Å; I159-Q246 HydrophobicContact CD1-CB 4.44Å |
| 160 | V | 96 | Very high | 82.2 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.3 | 178 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | F75 V158 V174 | F75-V160 HydrophobicContact CB-CG1 3.99Å; F75-V160 HydrophobicContact CD1-CG1 3.13Å; F75-V160 HydrophobicContact CE1-CG1 3.68Å; F75-V160 HydrophobicContact CG-CG1 3.71Å; V158-V160 HydrophobicContact CG1-CG2 4.06Å; V160-V174 HydrophobicContact CB-CB 4.44Å; V160-V174 PolarHBondContact N-O 2.81Å; V160-V174 PolarHBondContact O-N 2.82Å |
| 161 | A | 96.3 | Very high | 84.4 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 152.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y171 V173 L231 | A161-Y171 HydrophobicContact CB-CE1 4.29Å; A161-Y171 VanDerWaalsContact CB-OH 3.31Å; A161-Y171 WeakPolarHBondContact CB-OH 3.4Å; A161-V173 HydrophobicContact CB-CG1 4.37Å; A161-V173 HydrophobicContact CB-CG2 4.1Å; A161-L231 HydrophobicContact CB-CD2 3.64Å |
| 162 | P | 95.6 | Very high | 86.6 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | trans | -63.5 | 141.1 | 174.2 | -20.3 | 32.6 | 0 | 0 | 0 | 111.7 | L164 Y171 V172 | P162-L164 VanDerWaalsContact C-N 3.27Å; P162-L164 PolarHBondContact O-N 2.78Å; P162-Y171 HydrophobicContact CB-CE2 4.09Å; P162-Y171 HydrophobicContact CG-CE2 4.24Å; P162-Y171 WeakPolarHBondContact O-CE2 3.36Å; P162-Y171 PolarHBondContact O-OH 2.8Å; P162-V172 VanDerWaalsContact CD-O 3.3Å; P162-V172 WeakPolarHBondContact CD-O 3.49Å | ||
| 163 | R | 94.6 | Very high | 88.7 | Confident | 144 Ų | 144 | 44 Ų | 44 | 54% | 0.543 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -68.9 | -28.2 | 173.4 | 174.7 | 175.9 | 160.2 | 163.5 | -3.2 | 112.9 | L250 E251 | R163-L250 WeakPolarHBondContact O-CA 3.32Å; R163-E251 HydrophobicContact CG-CB 4.38Å; R163-E251 IonicContact CZ-OE2 3.92Å; R163-E251 IonicContact NE-OE2 2.8Å; R163-E251 PolarHBondContact NE-OE2 3.1Å; R163-E251 IonicContact NH2-OE2 3.21Å; R163-E251 PolarHBondContact NH2-OE2 3.23Å; R163-E251 PolarHBondContact O-N 2.83Å |
| 164 | L | 93.3 | Very high | 90.8 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 37% | 0.366 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.8 | -172.6 | -59.9 | 167.9 | 0 | 0 | 0 | 110.8 | P162 E251 V253 | P162-L164 VanDerWaalsContact C-N 3.27Å; P162-L164 PolarHBondContact O-N 2.78Å; L164-E251 WeakPolarHBondContact CA-O 3.42Å; L164-E251 HydrophobicContact CD2-CB 3.86Å; L164-E251 HydrophobicContact CD2-CG 3.86Å; L164-V253 HydrophobicContact CD2-CG2 3.67Å |
| 165 | I | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.5 | 166 | 58 | 170.5 | 0 | 0 | 0 | 109.8 | Y171 V190 L223 Y229 L250 E251 F252 V253 | I165-Y171 HydrophobicContact CG2-CD2 3.61Å; I165-Y171 HydrophobicContact CG2-CE2 3.59Å; I165-Y171 HydrophobicContact CG2-CG 4.33Å; I165-V190 HydrophobicContact CD1-CG1 4.19Å; I165-L223 HydrophobicContact CD1-CD1 4.27Å; I165-Y229 HydrophobicContact CD1-CD1 4.35Å; I165-Y229 HydrophobicContact CD1-CD2 4.02Å; I165-Y229 HydrophobicContact CD1-CG 3.77Å; I165-L250 HydrophobicContact CD1-CB 4.43Å; I165-L250 HydrophobicContact CD1-CD1 4.39Å; I165-L250 HydrophobicContact CG1-CB 4.41Å; I165-L250 HydrophobicContact CG2-CB 4.41Å; I165-L250 HydrophobicContact CG2-CD1 3.77Å; I165-L250 HydrophobicContact CG2-CD2 4.38Å; I165-L250 HydrophobicContact CG2-CG 4.41Å; I165-E251 PolarHBondContact N-O 2.92Å; I165-F252 HydrophobicContact CD1-CB 4.5Å; I165-F252 HydrophobicContact CD1-CD2 4.27Å; I165-F252 HydrophobicContact CG1-CB 4.23Å; I165-F252 HydrophobicContact CG1-CD2 4.13Å; I165-V253 PolarHBondContact O-N 2.87Å |
| 166 | R | 91.9 | Very high | 93.4 | Very high | 79 Ų | 79 | 39.7 Ų | 39.7 | 30% | 0.298 | 21% | 0.209 | S | C | . | . | trans | -130.9 | 144.7 | 178.1 | -74.5 | 176.2 | 177.9 | 122.9 | -0.9 | 109.1 | L169 I219 V253 K255 P283 | R166-L169 HydrophobicContact CB-CB 4.46Å; R166-L169 HydrophobicContact CB-CD1 3.83Å; R166-L169 HydrophobicContact CB-CG 4.36Å; R166-L169 HydrophobicContact CG-CD1 4.48Å; R166-I219 WeakPolarHBondContact O-CB 3.07Å; R166-V253 WeakPolarHBondContact CA-O 2.78Å; R166-V253 HydrophobicContact CG-CB 3.91Å; R166-V253 HydrophobicContact CG-CG1 4.31Å; R166-V253 WeakPolarHBondContact CG-O 3.38Å; R166-K255 VanDerWaalsContact CD-O 3.28Å; R166-K255 WeakPolarHBondContact CD-O 3.44Å; R166-K255 PolarHBondContact NE-O 2.64Å; R166-P283 VanDerWaalsContact CZ-CB 3.5Å | ||
| 167 | P | 90.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 151.8 | 177.3 | 26.2 | -30.5 | 0 | 0 | 0 | 110.7 | L169 F252 V253 H254 S256 | P167-L169 PolarHBondContact O-N 3.06Å; P167-F252 HydrophobicContact CB-CE2 4.39Å; P167-F252 HydrophobicContact CG-CE2 4.23Å; P167-F252 HydrophobicContact CG-CZ 4.14Å; P167-V253 WeakPolarHBondContact CD-O 3.5Å; P167-H254 WeakPolarHBondContact CD-O 3.45Å; P167-H254 WeakPolarHBondContact CG-O 3.17Å; P167-S256 WeakPolarHBondContact O-CB 3.28Å |
| 168 | N | 89 | Confident | 93.5 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 3 | 177.1 | -63.1 | -48.7 | 0 | 0 | 0 | 116.8 | K218 I219 | N168-K218 WeakPolarHBondContact OD1-CE 3.35Å; N168-K218 PolarHBondContact OD1-NZ 2.95Å; N168-K218 VanDerWaalsContact OD1-NZ 3.12Å; N168-I219 WeakPolarHBondContact CA-O 3.48Å; N168-I219 PolarHBondContact N-O 3.03Å |
| 169 | L | 90.5 | Very high | 93 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -102.2 | 152.2 | 176.5 | -66.7 | -177.1 | 0 | 0 | 0 | 111.3 | R166 P167 I219 P283 | R166-L169 HydrophobicContact CB-CB 4.46Å; R166-L169 HydrophobicContact CB-CD1 3.83Å; R166-L169 HydrophobicContact CB-CG 4.36Å; R166-L169 HydrophobicContact CG-CD1 4.48Å; P167-L169 PolarHBondContact O-N 3.06Å; L169-I219 WeakPolarHBondContact O-CG1 3.37Å; L169-I219 PolarHBondContact O-N 3.21Å; L169-P283 HydrophobicContact CD1-CG 3.72Å |
| 170 | P | 93.6 | Very high | 92.5 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 47% | 0.468 | 23% | 0.225 | S | C | . | . | trans | -69.3 | 149.9 | 170.2 | 29.4 | -34.3 | 0 | 0 | 0 | 110.4 | W215 I216 D217 | P170-W215 HydrophobicContact CB-CE3 4.12Å; P170-W215 HydrophobicContact CB-CZ3 4.18Å; P170-W215 HydrophobicContact CG-CZ3 4.35Å; P170-I216 WeakPolarHBondContact CA-O 3.29Å; P170-D217 WeakPolarHBondContact CA-O 3.27Å; P170-D217 WeakPolarHBondContact CB-O 3.32Å | ||
| 171 | Y | 95.5 | Very high | 91.8 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.5 | 175.1 | -177 | -92.7 | 0 | 0 | 0 | 110 | A161 P162 I165 V173 I216 L231 L250 | A161-Y171 HydrophobicContact CB-CE1 4.29Å; A161-Y171 VanDerWaalsContact CB-OH 3.31Å; A161-Y171 WeakPolarHBondContact CB-OH 3.4Å; P162-Y171 HydrophobicContact CB-CE2 4.09Å; P162-Y171 HydrophobicContact CG-CE2 4.24Å; P162-Y171 WeakPolarHBondContact O-CE2 3.36Å; P162-Y171 PolarHBondContact O-OH 2.8Å; I165-Y171 HydrophobicContact CG2-CD2 3.61Å; I165-Y171 HydrophobicContact CG2-CE2 3.59Å; I165-Y171 HydrophobicContact CG2-CG 4.33Å; Y171-V173 HydrophobicContact CD1-CG2 4.11Å; Y171-V173 HydrophobicContact CE1-CG2 3.66Å; Y171-I216 HydrophobicContact CD1-CD1 4.05Å; Y171-I216 PolarHBondContact N-O 2.61Å; Y171-I216 WeakPolarHBondContact O-CB 3.46Å; Y171-I216 PolarHBondContact O-N 2.8Å; Y171-L231 HydrophobicContact CE1-CD1 3.89Å; Y171-L231 HydrophobicContact CE1-CD2 4.17Å; Y171-L250 HydrophobicContact CE2-CD2 4.41Å; Y171-L250 VanDerWaalsContact OH-CD2 3.27Å; Y171-L250 WeakPolarHBondContact OH-CD2 3.44Å |
| 172 | V | 95.6 | Very high | 91.3 | Very high | 37 Ų | 37 | 56 Ų | 56 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.7 | -173.9 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | P162 V174 E213 I214 W215 | P162-V172 VanDerWaalsContact CD-O 3.3Å; P162-V172 WeakPolarHBondContact CD-O 3.49Å; V172-V174 HydrophobicContact CG2-CG2 4.43Å; V172-E213 HydrophobicContact CG2-CB 3.95Å; V172-E213 HydrophobicContact CG2-CG 4.37Å; V172-I214 WeakPolarHBondContact CA-O 3.3Å; V172-W215 HydrophobicContact CB-CD2 4.35Å; V172-W215 HydrophobicContact CB-CE3 4.37Å; V172-W215 HydrophobicContact CB-CZ3 4.5Å; V172-W215 HydrophobicContact CG2-CD2 4.2Å; V172-W215 HydrophobicContact CG2-CZ2 4.25Å |
| 173 | V | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.3 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | I159 A161 Y171 V175 A188 I214 L231 V233 | I159-V173 HydrophobicContact CG2-CG1 3.73Å; A161-V173 HydrophobicContact CB-CG1 4.37Å; A161-V173 HydrophobicContact CB-CG2 4.1Å; Y171-V173 HydrophobicContact CD1-CG2 4.11Å; Y171-V173 HydrophobicContact CE1-CG2 3.66Å; V173-V175 HydrophobicContact CG1-CG1 4.08Å; V173-A188 HydrophobicContact CG2-CB 4.21Å; V173-I214 HydrophobicContact CB-CB 4.35Å; V173-I214 PolarHBondContact N-O 2.8Å; V173-I214 PolarHBondContact O-N 3.2Å; V173-L231 HydrophobicContact CG2-CD1 4.02Å; V173-L231 HydrophobicContact CG2-CD2 3.9Å; V173-V233 HydrophobicContact CG1-CG2 4.28Å |
| 174 | V | 96.4 | Very high | 90.9 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.9 | 179 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | I159 V160 V172 L211 E213 | I159-V174 WeakPolarHBondContact CA-O 3.38Å; V160-V174 HydrophobicContact CB-CB 4.44Å; V160-V174 PolarHBondContact N-O 2.81Å; V160-V174 PolarHBondContact O-N 2.82Å; V172-V174 HydrophobicContact CG2-CG2 4.43Å; V174-L211 HydrophobicContact CG1-CD1 3.34Å; V174-L211 HydrophobicContact CG1-CD2 4.18Å; V174-L211 HydrophobicContact CG1-CG 3.76Å; V174-E213 HydrophobicContact CG2-CG 4.31Å |
| 175 | V | 94.9 | Very high | 91 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.5 | 179.9 | -58 | 0 | 0 | 0 | 0 | 110.9 | V158 I159 V173 F177 V186 I206 S212 I214 | V158-V175 WeakPolarHBondContact O-CA 3.43Å; I159-V175 HydrophobicContact CG1-CG1 4.11Å; I159-V175 HydrophobicContact CG2-CG1 4.35Å; V173-V175 HydrophobicContact CG1-CG1 4.08Å; V175-F177 HydrophobicContact CG2-CE2 4.29Å; V175-V186 HydrophobicContact CG1-CG1 4.3Å; V175-V186 HydrophobicContact CG2-CG2 4.42Å; V175-I206 HydrophobicContact CG2-CD1 3.86Å; V175-I206 HydrophobicContact CG2-CG2 4.5Å; V175-S212 PolarHBondContact N-O 2.77Å; V175-S212 PolarHBondContact O-N 2.78Å; V175-I214 HydrophobicContact CG1-CD1 4.04Å; V175-I214 HydrophobicContact CG2-CD1 4.13Å |
| 176 | N | 93.2 | Very high | 91 | Very high | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 121.7 | 172.1 | -173.1 | 6.8 | 0 | 0 | 0 | 109.4 | Y157 V158 L211 | Y157-N176 CarbonylContact C-O 3.55Å; Y157-N176 WeakPolarHBondContact CA-O 3.23Å; V158-N176 PolarHBondContact N-O 2.88Å; V158-N176 PolarHBondContact O-N 2.82Å; N176-L211 HydrophobicContact CB-CD1 3.97Å |
| 177 | F | 91 | Very high | 91.2 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.1 | 172.5 | -69.6 | -89.4 | 0 | 0 | 0 | 108.2 | V175 V184 V186 I206 A208 G209 L243 F244 | V175-F177 HydrophobicContact CG2-CE2 4.29Å; F177-V184 HydrophobicContact CD1-CG2 4.03Å; F177-V184 HydrophobicContact CE1-CB 3.97Å; F177-V184 HydrophobicContact CE1-CG1 3.72Å; F177-V184 HydrophobicContact CE1-CG2 3.8Å; F177-V184 HydrophobicContact CE2-CB 3.95Å; F177-V184 HydrophobicContact CE2-CG1 4.11Å; F177-V184 HydrophobicContact CE2-CG2 4.41Å; F177-V184 HydrophobicContact CG-CG2 4.41Å; F177-V184 HydrophobicContact CZ-CB 3.66Å; F177-V184 HydrophobicContact CZ-CG1 3.37Å; F177-V184 HydrophobicContact CZ-CG2 4.02Å; F177-V186 HydrophobicContact CE2-CG2 3.64Å; F177-V186 HydrophobicContact CZ-CG2 3.51Å; F177-I206 HydrophobicContact CD2-CB 4.36Å; F177-I206 HydrophobicContact CD2-CG2 3.5Å; F177-I206 HydrophobicContact CE2-CB 4.19Å; F177-I206 HydrophobicContact CE2-CG2 3.69Å; F177-A208 HydrophobicContact CB-CB 4.47Å; F177-A208 CarbonylContact O-C 3.59Å; F177-A208 WeakPolarHBondContact O-CA 3.34Å; F177-G209 PolarHBondContact O-N 3.07Å; F177-L243 HydrophobicContact CE1-CD1 4.49Å; F177-F244 HydrophobicContact CE1-CD1 4.37Å; F177-F244 AromaticContact CE1-CE1 3.6Å; F177-F244 HydrophobicContact CE1-CE1 3.6Å; F177-F244 AromaticContact CZ-CE1 3.72Å; F177-F244 HydrophobicContact CZ-CE1 3.72Å; F177-F244 HydrophobicContact CZ-CZ 4.26Å |
| 178 | L | 88.3 | Confident | 91.5 | Very high | 94 Ų | 94 | 48 Ų | 48 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -75.4 | -38.3 | 178.1 | -55.8 | 179 | 0 | 0 | 0 | 110.2 | S156 V158 | S156-L178 PolarHBondContact O-N 3.2Å; V158-L178 HydrophobicContact CG2-CD1 4.18Å; V158-L178 HydrophobicContact CG2-CG 4.43Å |
| 179 | E | 82.6 | Confident | 91.9 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -141.9 | 121.1 | 178.4 | -65.9 | -173.5 | -161.4 | 0 | 0 | 110.8 | Y153 G155 S156 | Y153-E179 HydrophobicContact CE1-CB 3.98Å; Y153-E179 WeakPolarHBondContact CE1-OE2 3.36Å; Y153-E179 PolarHBondContact OH-OE2 3.41Å; G155-E179 VanDerWaalsContact CA-O 3.23Å; G155-E179 WeakPolarHBondContact CA-O 3.45Å; S156-E179 PolarHBondContact O-N 3.16Å |
| 180 | S | 82.7 | Confident | 92.2 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | trans | -150.7 | 138.5 | 170.9 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | E182 | S180-E182 PolarHBondContact OG-O 3.22Š| ||
| 181 | R | 81.5 | Confident | 92.3 | Very high | 220 Ų | 220 | 44.7 Ų | 44.7 | 83% | 0.83 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -85.3 | -26.2 | 176.9 | -64 | -177.8 | -177.2 | 168.9 | 1.4 | 112.6 | ||
| 182 | E | 86.1 | Confident | 92.2 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -123 | 154.9 | -178.6 | -68.1 | 179.8 | -168.6 | 0 | 0 | 109.8 | S180 T237 S239 | S180-E182 PolarHBondContact OG-O 3.22Å; E182-T237 HydrophobicContact CB-CG2 4.39Å; E182-T237 WeakPolarHBondContact OE2-CB 3.25Å; E182-S239 PolarHBondContact OE2-OG 3.41Å |
| 183 | P | 89.6 | Confident | 92 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 25% | 0.253 | 22% | 0.221 | S | C | . | . | trans | -58.2 | 143.5 | 167 | -20.2 | 32 | 0 | 0 | 0 | 111.4 | D205 V238 | P183-D205 WeakPolarHBondContact CB-OD1 3.3Å; P183-D205 WeakPolarHBondContact CG-OD1 3.39Å; P183-V238 HydrophobicContact CB-CG2 4.02Å; P183-V238 HydrophobicContact CG-CG2 4.49Å; P183-V238 PolarHBondContact O-N 2.86Å | ||
| 184 | V | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.1 | -178.3 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | F177 V186 I206 E236 L243 | F177-V184 HydrophobicContact CD1-CG2 4.03Å; F177-V184 HydrophobicContact CE1-CB 3.97Å; F177-V184 HydrophobicContact CE1-CG1 3.72Å; F177-V184 HydrophobicContact CE1-CG2 3.8Å; F177-V184 HydrophobicContact CE2-CB 3.95Å; F177-V184 HydrophobicContact CE2-CG1 4.11Å; F177-V184 HydrophobicContact CE2-CG2 4.41Å; F177-V184 HydrophobicContact CG-CG2 4.41Å; F177-V184 HydrophobicContact CZ-CB 3.66Å; F177-V184 HydrophobicContact CZ-CG1 3.37Å; F177-V184 HydrophobicContact CZ-CG2 4.02Å; V184-V186 HydrophobicContact CG1-CG2 4.11Å; V184-I206 PolarHBondContact N-O 2.94Å; V184-I206 WeakPolarHBondContact O-CB 3.19Å; V184-I206 PolarHBondContact O-N 2.72Å; V184-E236 CarbonylContact C-O 3.54Å; V184-E236 WeakPolarHBondContact CA-O 3.46Å; V184-E236 WeakPolarHBondContact CG1-O 3.34Å; V184-L243 HydrophobicContact CB-CD1 4.34Å; V184-L243 HydrophobicContact CG1-CD1 3.86Å; V184-L243 HydrophobicContact CG2-CD1 3.48Å; V184-L243 VanDerWaalsContact CG2-CD1 3.48Å |
| 185 | V | 94.2 | Very high | 91.5 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 13% | 0.127 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.8 | 166.5 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | G203 G235 E236 | V185-G203 CarbonylContact C-O 3.59Å; V185-G203 WeakPolarHBondContact CA-O 3.41Å; V185-G235 CarbonylContact O-C 3.59Å; V185-G235 WeakPolarHBondContact O-CA 3.5Å; V185-E236 PolarHBondContact N-O 2.97Å; V185-E236 PolarHBondContact O-N 2.98Å |
| 186 | V | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.4 | 178.1 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | V175 F177 V184 W202 G203 I206 I214 V233 Q234 | V175-V186 HydrophobicContact CG1-CG1 4.3Å; V175-V186 HydrophobicContact CG2-CG2 4.42Å; F177-V186 HydrophobicContact CE2-CG2 3.64Å; F177-V186 HydrophobicContact CZ-CG2 3.51Å; V184-V186 HydrophobicContact CG1-CG2 4.11Å; V186-W202 CarbonylContact O-C 3.58Å; V186-W202 WeakPolarHBondContact O-CA 3.33Å; V186-W202 WeakPolarHBondContact O-CB 3.25Å; V186-G203 PolarHBondContact N-O 3.07Å; V186-G203 PolarHBondContact O-N 3.19Å; V186-I206 HydrophobicContact CB-CD1 4Å; V186-I206 HydrophobicContact CG2-CD1 3.78Å; V186-I214 HydrophobicContact CB-CD1 3.49Å; V186-I214 VanDerWaalsContact CB-CD1 3.49Å; V186-I214 HydrophobicContact CG1-CD1 3.25Å; V186-V233 HydrophobicContact CG1-CG1 3.45Å; V186-V233 VanDerWaalsContact CG1-CG1 3.45Å; V186-Q234 CarbonylContact C-O 3.57Å; V186-Q234 WeakPolarHBondContact CA-O 2.88Å |
| 187 | R | 95.8 | Very high | 91.4 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 47% | 0.468 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.1 | 175.8 | -57.3 | -179.7 | -169.2 | -123.1 | 3.5 | 109.1 | W202 V233 Q234 E236 | R187-W202 HydrophobicContact CG-CB 4.41Å; R187-V233 CarbonylContact O-C 3.5Å; R187-V233 WeakPolarHBondContact O-CA 3.12Å; R187-Q234 PolarHBondContact N-O 3.44Å; R187-Q234 PolarHBondContact O-N 2.84Å; R187-E236 IonicContact CZ-OE2 3.07Å; R187-E236 IonicContact NE-OE2 3.91Å; R187-E236 PolarHBondContact NE-OE2 2.88Å; R187-E236 IonicContact NH2-OE2 2.8Å; R187-E236 PolarHBondContact NH2-OE2 2.91Å; R187-E236 VanDerWaalsContact NH2-OE2 3.09Å |
| 188 | A | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | V173 Q200 S201 I214 F232 | V173-A188 HydrophobicContact CG2-CB 4.21Å; A188-Q200 CarbonylContact O-C 3.55Å; A188-Q200 VanDerWaalsContact O-CA 3.3Å; A188-Q200 WeakPolarHBondContact O-CA 3.47Å; A188-S201 PolarHBondContact N-O 3.24Å; A188-S201 PolarHBondContact O-N 2.9Å; A188-S201 VanDerWaalsContact O-O 3.09Å; A188-I214 HydrophobicContact CB-CG2 4.05Å; A188-F232 CarbonylContact C-O 3.57Å; A188-F232 WeakPolarHBondContact CA-O 3.33Å |
| 189 | R | 96.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 59.1 Ų | 59.1 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.6 | -179.9 | -63.7 | -174.6 | -71.4 | 170.8 | -1.4 | 110.3 | M191 A199 Q200 L231 F232 | R189-M191 HydrophobicContact CB-CG 4.25Å; R189-A199 CarbonylContact C-O 3.54Å; R189-A199 WeakPolarHBondContact CA-O 3.22Å; R189-Q200 HydrophobicContact CG-CB 3.86Å; R189-L231 CarbonylContact O-C 3.44Å; R189-F232 HydrophobicContact CB-CB 4.48Å; R189-F232 PolarHBondContact N-O 3.29Å; R189-F232 PolarHBondContact O-N 2.83Å |
| 190 | V | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.8 | 163.5 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | I165 V198 A199 I216 I219 Y229 K230 L250 | I165-V190 HydrophobicContact CD1-CG1 4.19Å; V190-V198 PolarHBondContact O-N 3.02Å; V190-A199 HydrophobicContact CB-CB 4.31Å; V190-A199 PolarHBondContact N-O 2.5Å; V190-A199 PolarHBondContact O-N 3.11Å; V190-I216 HydrophobicContact CG2-CD1 3.88Å; V190-I219 HydrophobicContact CG2-CD1 4.09Å; V190-Y229 HydrophobicContact CG1-CD1 4.33Å; V190-K230 CarbonylContact C-O 3.58Å; V190-K230 WeakPolarHBondContact CA-O 3.22Å; V190-L250 HydrophobicContact CG1-CD1 4.05Å; V190-L250 HydrophobicContact CG2-CD1 4.19Å |
| 191 | M | 95.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 147.6 | -178.4 | -55.9 | 172 | 72.2 | 0 | 0 | 110.4 | R189 N195 R196 Y229 K230 F232 | R189-M191 HydrophobicContact CB-CG 4.25Å; M191-N195 HydrophobicContact CE-CB 3.6Å; M191-N195 WeakPolarHBondContact CE-O 3.12Å; M191-R196 CarbonylContact C-O 3.47Å; M191-R196 WeakPolarHBondContact CA-O 3.35Å; M191-Y229 CarbonylContact O-C 3.5Å; M191-Y229 WeakPolarHBondContact O-CA 3.28Å; M191-K230 HydrophobicContact CB-CD 4.45Å; M191-K230 HydrophobicContact CB-CG 3.78Å; M191-K230 PolarHBondContact N-O 3.42Å; M191-K230 PolarHBondContact O-N 3.34Å; M191-F232 HydrophobicContact CG-CB 4.31Å; M191-F232 HydrophobicContact SD-CB 3.5Å; M191-F232 WeakPolarHBondContact SD-CB 3.42Å; M191-F232 HydrophobicContact SD-CD2 4.35Å; M191-F232 HydrophobicContact SD-CG 3.9Å |
| 192 | D | 93.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | trans | -82.9 | 180 | 169.9 | 68.4 | 10.7 | 0 | 0 | 0 | 112.1 | Q194 N195 R196 V198 Q228 Y229 | D192-Q194 VanDerWaalsContact CG-OE1 3.28Å; D192-Q194 PolarHBondContact O-N 3.42Å; D192-Q194 VanDerWaalsContact OD1-C 3.24Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.11Å; D192-Q194 PolarHBondContact OD1-N 2.8Å; D192-Q194 PolarHBondContact OD2-OE1 2.87Å; D192-N195 PolarHBondContact O-N 2.8Å; D192-N195 PolarHBondContact OD1-N 3.33Å; D192-R196 PolarHBondContact N-O 2.88Å; D192-R196 WeakPolarHBondContact OD1-CB 3.44Å; D192-R196 PolarHBondContact OD1-N 3.35Å; D192-R196 IonicContact OD1-NE 3.32Å; D192-R196 IonicContact OD2-CZ 3.44Å; D192-R196 IonicContact OD2-NE 3.89Å; D192-R196 PolarHBondContact OD2-NE 2.92Å; D192-R196 IonicContact OD2-NH2 2.95Å; D192-R196 PolarHBondContact OD2-NH2 2.77Å; D192-V198 HydrophobicContact CB-CG2 4.07Å; D192-Q228 CarbonylContact C-O 3.44Å; D192-Y229 HydrophobicContact CB-CD1 4.47Å; D192-Y229 HydrophobicContact CB-CE1 4.23Å | ||
| 193 | A | 90.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 49% | 0.488 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N195 Q228 | A193-N195 VanDerWaalsContact C-N 3.32Å; A193-Q228 PolarHBondContact N-O 3.4Å; A193-Q228 VanDerWaalsContact N-O 3.11Å |
| 194 | Q | 90.9 | Very high | 94.3 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 13 | 176.2 | -59.8 | 80.2 | 23.2 | 0 | 0 | 113 | D192 R196 | D192-Q194 VanDerWaalsContact CG-OE1 3.28Å; D192-Q194 PolarHBondContact O-N 3.42Å; D192-Q194 VanDerWaalsContact OD1-C 3.24Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.11Å; D192-Q194 PolarHBondContact OD1-N 2.8Å; D192-Q194 PolarHBondContact OD2-OE1 2.87Å; Q194-R196 HydrophobicContact CB-CG 4.29Å; Q194-R196 PolarHBondContact O-N 2.87Å |
| 195 | N | 92.2 | Very high | 94.1 | Very high | 97 Ų | 97 | 60.3 Ų | 60.3 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | trans | 61.6 | 20.8 | -177.5 | -63.9 | -35.3 | 0 | 0 | 0 | 115.1 | M191 D192 A193 K230 | M191-N195 HydrophobicContact CE-CB 3.6Å; M191-N195 WeakPolarHBondContact CE-O 3.12Å; D192-N195 PolarHBondContact O-N 2.8Å; D192-N195 PolarHBondContact OD1-N 3.33Å; A193-N195 VanDerWaalsContact C-N 3.32Å; N195-K230 WeakPolarHBondContact OD1-CE 3.42Å; N195-K230 PolarHBondContact OD1-NZ 2.8Å | ||
| 196 | R | 93 | Very high | 94 | Very high | 150 Ų | 150 | 59.5 Ų | 59.5 | 57% | 0.566 | 29% | 0.29 | S | S | * | . | trans | -84.8 | 136.9 | 174.4 | -56.6 | 179.2 | -63 | 179.9 | 0.7 | 109.1 | M191 D192 Q194 V198 | M191-R196 CarbonylContact C-O 3.47Å; M191-R196 WeakPolarHBondContact CA-O 3.35Å; D192-R196 PolarHBondContact N-O 2.88Å; D192-R196 WeakPolarHBondContact OD1-CB 3.44Å; D192-R196 PolarHBondContact OD1-N 3.35Å; D192-R196 IonicContact OD1-NE 3.32Å; D192-R196 IonicContact OD2-CZ 3.44Å; D192-R196 IonicContact OD2-NE 3.89Å; D192-R196 PolarHBondContact OD2-NE 2.92Å; D192-R196 IonicContact OD2-NH2 2.95Å; D192-R196 PolarHBondContact OD2-NH2 2.77Å; Q194-R196 HydrophobicContact CB-CG 4.29Å; Q194-R196 PolarHBondContact O-N 2.87Å; R196-V198 PolarHBondContact O-N 3.21Å | ||
| 197 | S | 93.3 | Very high | 93.7 | Very high | 47 Ų | 47 | 66.7 Ų | 66.7 | 33% | 0.329 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116.3 | 176.5 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | A199 | S197-A199 PolarHBondContact OG-O 3Å |
| 198 | V | 93.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -38.9 | 178.4 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V190 D192 R196 P220 L223 Y229 | V190-V198 PolarHBondContact O-N 3.02Å; D192-V198 HydrophobicContact CB-CG2 4.07Å; R196-V198 PolarHBondContact O-N 3.21Å; V198-P220 HydrophobicContact CG1-CB 4.46Å; V198-P220 HydrophobicContact CG1-CG 3.72Å; V198-P220 WeakPolarHBondContact O-CG 3.35Å; V198-L223 HydrophobicContact CG1-CD2 3.38Å; V198-Y229 HydrophobicContact CG2-CE1 4.27Å |
| 199 | A | 95.2 | Very high | 92.9 | Very high | 11 Ų | 11 | 66 Ų | 66 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 148.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | R189 V190 S197 I216 I219 | R189-A199 CarbonylContact C-O 3.54Å; R189-A199 WeakPolarHBondContact CA-O 3.22Å; V190-A199 HydrophobicContact CB-CB 4.31Å; V190-A199 PolarHBondContact N-O 2.5Å; V190-A199 PolarHBondContact O-N 3.11Å; S197-A199 PolarHBondContact OG-O 3Å; A199-I216 HydrophobicContact CB-CG2 3.56Å; A199-I219 HydrophobicContact CB-CD1 4.16Å |
| 200 | Q | 95.9 | Very high | 92.6 | Very high | 123 Ų | 123 | 68.6 Ų | 68.6 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 151.4 | -178.4 | 65.4 | -171.3 | -57.3 | 0 | 0 | 111.5 | A188 R189 | A188-Q200 CarbonylContact O-C 3.55Å; A188-Q200 VanDerWaalsContact O-CA 3.3Å; A188-Q200 WeakPolarHBondContact O-CA 3.47Å; R189-Q200 HydrophobicContact CG-CB 3.86Å |
| 201 | S | 97 | Very high | 92.3 | Very high | 26 Ų | 26 | 73.8 Ų | 73.8 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 168.9 | 171.9 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | A188 W215 | A188-S201 PolarHBondContact N-O 3.24Å; A188-S201 PolarHBondContact O-N 2.9Å; A188-S201 VanDerWaalsContact O-O 3.09Å; S201-W215 WeakPolarHBondContact CB-O 2.95Å; S201-W215 PolarHBondContact OG-O 3.33Å |
| 202 | W | 94.8 | Very high | 92.3 | Very high | 146 Ų | 146 | 74 Ų | 74 | 55% | 0.553 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149.2 | 177.8 | 60.1 | 75.9 | 0 | 0 | 0 | 111.9 | V186 R187 H204 | V186-W202 CarbonylContact O-C 3.58Å; V186-W202 WeakPolarHBondContact O-CA 3.33Å; V186-W202 WeakPolarHBondContact O-CB 3.25Å; R187-W202 HydrophobicContact CG-CB 4.41Å; W202-H204 AromaticContact CD1-CD2 3.39Å; W202-H204 AromaticContact CD1-CE1 3.51Å; W202-H204 AromaticContact CD1-NE2 2.94Å; W202-H204 AromaticContact NE1-CD2 3.54Å; W202-H204 AromaticContact NE1-CE1 3.88Å; W202-H204 AromaticContact NE1-NE2 2.96Å; W202-H204 PolarHBondContact NE1-NE2 3.43Å |
| 203 | G | 93.5 | Very high | 92.4 | Very high | 14 Ų | 14 | 78.9 Ų | 78.9 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V185 V186 | V185-G203 CarbonylContact C-O 3.59Å; V185-G203 WeakPolarHBondContact CA-O 3.41Å; V186-G203 PolarHBondContact N-O 3.07Å; V186-G203 PolarHBondContact O-N 3.19Å |
| 204 | H | 91.4 | Very high | 92.6 | Very high | 120 Ų | 120 | 76.2 Ų | 76.2 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 157.8 | 179.5 | -68.4 | -60.6 | 0 | 0 | 0 | 111.6 | W202 I206 | W202-H204 AromaticContact CD1-CD2 3.39Å; W202-H204 AromaticContact CD1-CE1 3.51Å; W202-H204 AromaticContact CD1-NE2 2.94Å; W202-H204 AromaticContact NE1-CD2 3.54Å; W202-H204 AromaticContact NE1-CE1 3.88Å; W202-H204 AromaticContact NE1-NE2 2.96Å; W202-H204 PolarHBondContact NE1-NE2 3.43Å; H204-I206 VanDerWaalsContact C-N 3.27Å; H204-I206 PolarHBondContact O-N 2.96Å |
| 205 | D | 90 | Very high | 92.9 | Very high | 84 Ų | 84 | 76.7 Ų | 76.7 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 42.7 | 176.2 | -167.5 | 28.9 | 0 | 0 | 0 | 113.8 | P183 R207 | P183-D205 WeakPolarHBondContact CB-OD1 3.3Å; P183-D205 WeakPolarHBondContact CG-OD1 3.39Å; D205-R207 PolarHBondContact O-N 2.65Å; D205-R207 IonicContact OD1-NE 2.72Å; D205-R207 PolarHBondContact OD1-NE 2.79Å; D205-R207 IonicContact OD1-NH2 2.74Å; D205-R207 IonicContact OD2-NE 2.85Å; D205-R207 IonicContact OD2-NH2 3.41Å |
| 206 | I | 91.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 118.9 | 178 | -56.8 | 170 | 0 | 0 | 0 | 108.6 | V175 F177 V184 V186 H204 | V175-I206 HydrophobicContact CG2-CD1 3.86Å; V175-I206 HydrophobicContact CG2-CG2 4.5Å; F177-I206 HydrophobicContact CD2-CB 4.36Å; F177-I206 HydrophobicContact CD2-CG2 3.5Å; F177-I206 HydrophobicContact CE2-CB 4.19Å; F177-I206 HydrophobicContact CE2-CG2 3.69Å; V184-I206 PolarHBondContact N-O 2.94Å; V184-I206 WeakPolarHBondContact O-CB 3.19Å; V184-I206 PolarHBondContact O-N 2.72Å; V186-I206 HydrophobicContact CB-CD1 4Å; V186-I206 HydrophobicContact CG2-CD1 3.78Å; H204-I206 VanDerWaalsContact C-N 3.27Å; H204-I206 PolarHBondContact O-N 2.96Å |
| 207 | R | 90.2 | Very high | 93 | Very high | 151 Ų | 151 | 71.6 Ų | 71.6 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -101.6 | 155.9 | -178.7 | -61.9 | -174.6 | -173.1 | -175 | 1.7 | 111.5 | D205 K210 | D205-R207 PolarHBondContact O-N 2.65Å; D205-R207 IonicContact OD1-NE 2.72Å; D205-R207 PolarHBondContact OD1-NE 2.79Å; D205-R207 IonicContact OD1-NH2 2.74Å; D205-R207 IonicContact OD2-NE 2.85Å; D205-R207 IonicContact OD2-NH2 3.41Å; R207-K210 PolarHBondContact O-N 2.79Å |
| 208 | A | 88.5 | Confident | 93 | Very high | 43 Ų | 43 | 75.1 Ų | 75.1 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 143.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F177 K210 | F177-A208 HydrophobicContact CB-CB 4.47Å; F177-A208 CarbonylContact O-C 3.59Å; F177-A208 WeakPolarHBondContact O-CA 3.34Å; A208-K210 PolarHBondContact O-N 3.01Å |
| 209 | G | 87.6 | Confident | 93 | Very high | 65 Ų | 65 | 73.3 Ų | 73.3 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -7.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F177 | F177-G209 PolarHBondContact O-N 3.07Š|
| 210 | K | 88.8 | Confident | 92.8 | Very high | 130 Ų | 130 | 74.7 Ų | 74.7 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | trans | -97.5 | 123.3 | 175.7 | -174.9 | 179.4 | 175.6 | -174.1 | 0 | 110.3 | R207 A208 S212 | R207-K210 PolarHBondContact O-N 2.79Å; A208-K210 PolarHBondContact O-N 3.01Å; K210-S212 PolarHBondContact O-N 3.27Å | ||
| 211 | L | 92.2 | Very high | 92.4 | Very high | 108 Ų | 108 | 70.9 Ų | 70.9 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 125.2 | 168.4 | -167.1 | 69.4 | 0 | 0 | 0 | 109.2 | V174 N176 | V174-L211 HydrophobicContact CG1-CD1 3.34Å; V174-L211 HydrophobicContact CG1-CD2 4.18Å; V174-L211 HydrophobicContact CG1-CG 3.76Å; N176-L211 HydrophobicContact CB-CD1 3.97Å |
| 212 | S | 94.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 76.1 Ų | 76.1 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.2 | 179.7 | -70.1 | 0 | 0 | 0 | 0 | 110.6 | V175 K210 | V175-S212 PolarHBondContact N-O 2.77Å; V175-S212 PolarHBondContact O-N 2.78Å; K210-S212 PolarHBondContact O-N 3.27Å |
| 213 | E | 95.4 | Very high | 91.4 | Very high | 109 Ų | 109 | 70 Ų | 70 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.4 | 177.4 | -60.4 | -180 | 173.9 | 0 | 0 | 109.7 | V172 V174 W215 | V172-E213 HydrophobicContact CG2-CB 3.95Å; V172-E213 HydrophobicContact CG2-CG 4.37Å; V174-E213 HydrophobicContact CG2-CG 4.31Å; E213-W215 WeakPolarHBondContact OE2-CZ2 3.32Å; E213-W215 PolarHBondContact OE2-NE1 3.46Å |
| 214 | I | 96.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.015 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 108.4 | 176.9 | -54.5 | 170.7 | 0 | 0 | 0 | 106.8 | V172 V173 V175 V186 A188 | V172-I214 WeakPolarHBondContact CA-O 3.3Å; V173-I214 HydrophobicContact CB-CB 4.35Å; V173-I214 PolarHBondContact N-O 2.8Å; V173-I214 PolarHBondContact O-N 3.2Å; V175-I214 HydrophobicContact CG1-CD1 4.04Å; V175-I214 HydrophobicContact CG2-CD1 4.13Å; V186-I214 HydrophobicContact CB-CD1 3.49Å; V186-I214 VanDerWaalsContact CB-CD1 3.49Å; V186-I214 HydrophobicContact CG1-CD1 3.25Å; A188-I214 HydrophobicContact CB-CG2 4.05Å |
| 215 | W | 96.3 | Very high | 90.7 | Very high | 121 Ų | 121 | 69.8 Ų | 69.8 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.2 | -177.4 | -70.3 | 80.7 | 0 | 0 | 0 | 109.9 | P170 V172 S201 E213 | P170-W215 HydrophobicContact CB-CE3 4.12Å; P170-W215 HydrophobicContact CB-CZ3 4.18Å; P170-W215 HydrophobicContact CG-CZ3 4.35Å; V172-W215 HydrophobicContact CB-CD2 4.35Å; V172-W215 HydrophobicContact CB-CE3 4.37Å; V172-W215 HydrophobicContact CB-CZ3 4.5Å; V172-W215 HydrophobicContact CG2-CD2 4.2Å; V172-W215 HydrophobicContact CG2-CZ2 4.25Å; S201-W215 WeakPolarHBondContact CB-O 2.95Å; S201-W215 PolarHBondContact OG-O 3.33Å; E213-W215 WeakPolarHBondContact OE2-CZ2 3.32Å; E213-W215 PolarHBondContact OE2-NE1 3.46Å |
| 216 | I | 96.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 104.4 | 161.4 | -58.3 | -179 | 0 | 0 | 0 | 105.7 | P170 Y171 V190 A199 K218 I219 | P170-I216 WeakPolarHBondContact CA-O 3.29Å; Y171-I216 HydrophobicContact CD1-CD1 4.05Å; Y171-I216 PolarHBondContact N-O 2.61Å; Y171-I216 WeakPolarHBondContact O-CB 3.46Å; Y171-I216 PolarHBondContact O-N 2.8Å; V190-I216 HydrophobicContact CG2-CD1 3.88Å; A199-I216 HydrophobicContact CB-CG2 3.56Å; I216-K218 VanDerWaalsContact C-N 3.27Å; I216-K218 PolarHBondContact O-N 3.07Å; I216-I219 HydrophobicContact CG2-CD1 4.15Å |
| 217 | D | 92.3 | Very high | 90.3 | Very high | 136 Ų | 136 | 75.7 Ų | 75.7 | 73% | 0.727 | 40% | 0.396 | S | S | * | . | trans | -54.8 | -40.7 | -166.8 | -63.2 | -27.2 | 0 | 0 | 0 | 113.7 | P170 | P170-D217 WeakPolarHBondContact CA-O 3.27Å; P170-D217 WeakPolarHBondContact CB-O 3.32Å | ||
| 218 | K | 91.5 | Very high | 90.4 | Very high | 121 Ų | 121 | 75.5 Ų | 75.5 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | trans | -151.6 | 123 | -177 | -167.7 | 173.8 | -176.9 | -178.5 | 0 | 111.6 | N168 I216 | N168-K218 WeakPolarHBondContact OD1-CE 3.35Å; N168-K218 PolarHBondContact OD1-NZ 2.95Å; N168-K218 VanDerWaalsContact OD1-NZ 3.12Å; I216-K218 VanDerWaalsContact C-N 3.27Å; I216-K218 PolarHBondContact O-N 3.07Å | ||
| 219 | I | 93.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | trans | -72.6 | 129.7 | 164.1 | -59.8 | -57.4 | 0 | 0 | 0 | 108.7 | R166 N168 L169 V190 A199 I216 L223 | R166-I219 WeakPolarHBondContact O-CB 3.07Å; N168-I219 WeakPolarHBondContact CA-O 3.48Å; N168-I219 PolarHBondContact N-O 3.03Å; L169-I219 WeakPolarHBondContact O-CG1 3.37Å; L169-I219 PolarHBondContact O-N 3.21Å; V190-I219 HydrophobicContact CG2-CD1 4.09Å; A199-I219 HydrophobicContact CB-CD1 4.16Å; I216-I219 HydrophobicContact CG2-CD1 4.15Å; I219-L223 HydrophobicContact CG2-CD1 3.45Å; I219-L223 VanDerWaalsContact CG2-CD1 3.45Å; I219-L223 HydrophobicContact CG2-CG 4.46Å | ||
| 220 | P | 92 | Very high | 91.2 | Very high | 40 Ų | 40 | 73.2 Ų | 73.2 | 26% | 0.26 | 36% | 0.364 | S | S | . | . | trans | -55.4 | 146.4 | 178.9 | -27.6 | 36.1 | 0 | 0 | 0 | 112.5 | V198 L223 | V198-P220 HydrophobicContact CG1-CB 4.46Å; V198-P220 HydrophobicContact CG1-CG 3.72Å; V198-P220 WeakPolarHBondContact O-CG 3.35Å; P220-L223 HydrophobicContact CB-CD2 4.26Å; P220-L223 WeakPolarHBondContact O-CG 3.11Å | ||
| 221 | P | 86.6 | Confident | 91.6 | Very high | 43 Ų | 43 | 67.1 Ų | 67.1 | 28% | 0.279 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -69.5 | -39.8 | 177 | 24.2 | -31.1 | 0 | 0 | 0 | 112.7 | L223 | P221-L223 PolarHBondContact O-N 2.86Š|
| 222 | N | 84.8 | Confident | 91.8 | Very high | 137 Ų | 137 | 63.4 Ų | 63.4 | 73% | 0.733 | 32% | 0.318 | S | S | * | . | trans | -82.3 | 52.1 | -169.9 | -59.2 | -0.6 | 0 | 0 | 0 | 112.5 | ||||
| 223 | L | 86.7 | Confident | 91.9 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | trans | -90.6 | 141.7 | 172.9 | -62.8 | -167.8 | 0 | 0 | 0 | 110.1 | I165 V198 I219 P220 P221 P225 Y229 F252 | I165-L223 HydrophobicContact CD1-CD1 4.27Å; V198-L223 HydrophobicContact CG1-CD2 3.38Å; I219-L223 HydrophobicContact CG2-CD1 3.45Å; I219-L223 VanDerWaalsContact CG2-CD1 3.45Å; I219-L223 HydrophobicContact CG2-CG 4.46Å; P220-L223 HydrophobicContact CB-CD2 4.26Å; P220-L223 WeakPolarHBondContact O-CG 3.11Å; P221-L223 PolarHBondContact O-N 2.86Å; L223-P225 WeakPolarHBondContact O-CD 3.26Å; L223-Y229 WeakPolarHBondContact CA-OH 3.33Å; L223-Y229 HydrophobicContact CB-CE2 4.33Å; L223-Y229 VanDerWaalsContact CB-OH 3.28Å; L223-Y229 WeakPolarHBondContact CB-OH 3.14Å; L223-Y229 HydrophobicContact CD1-CE1 4.22Å; L223-Y229 HydrophobicContact CD1-CE2 4.5Å; L223-Y229 HydrophobicContact CD2-CE1 4.02Å; L223-F252 HydrophobicContact CB-CD2 3.99Å; L223-F252 HydrophobicContact CB-CE2 3.48Å; L223-F252 VanDerWaalsContact CB-CE2 3.48Å; L223-F252 HydrophobicContact CB-CZ 3.77Å; L223-F252 HydrophobicContact CD1-CD2 3.82Å; L223-F252 HydrophobicContact CD1-CE2 3.71Å; L223-F252 HydrophobicContact CG-CE2 4.09Å | ||
| 224 | T | 87.4 | Confident | 91.9 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | trans | -87.7 | 120.8 | -178.5 | -57 | 0 | 0 | 0 | 0 | 108.7 | E226 M227 Y229 | T224-E226 WeakPolarHBondContact CG2-OE2 3.3Å; T224-E226 PolarHBondContact O-N 2.87Å; T224-M227 HydrophobicContact CG2-CE 4.32Å; T224-M227 HydrophobicContact CG2-CG 4.03Å; T224-M227 PolarHBondContact O-N 3.03Å; T224-M227 WeakPolarHBondContact OG1-CE 3.47Å; T224-Y229 PolarHBondContact N-OH 3.08Å | ||
| 225 | P | 83.5 | Confident | 91.7 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 49% | 0.494 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29.8 | -176 | -23.1 | 32.6 | 0 | 0 | 0 | 114.3 | L223 M227 F252 | L223-P225 WeakPolarHBondContact O-CD 3.26Å; P225-M227 VanDerWaalsContact C-N 3.3Å; P225-F252 HydrophobicContact CB-CD1 4.25Å; P225-F252 HydrophobicContact CB-CE1 4.23Å; P225-F252 HydrophobicContact CG-CE1 4.09Å |
| 226 | E | 85 | Confident | 91.5 | Very high | 162 Ų | 162 | 54.1 Ų | 54.1 | 76% | 0.757 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10 | 179.5 | -49.9 | 86.5 | -171.3 | 0 | 0 | 113.5 | T224 | T224-E226 WeakPolarHBondContact CG2-OE2 3.3Å; T224-E226 PolarHBondContact O-N 2.87Å |
| 227 | M | 87.8 | Confident | 91.1 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -81.5 | 140.5 | -180 | -75.8 | -156 | -81.6 | 0 | 0 | 111.9 | T224 P225 Y229 | T224-M227 HydrophobicContact CG2-CE 4.32Å; T224-M227 HydrophobicContact CG2-CG 4.03Å; T224-M227 PolarHBondContact O-N 3.03Å; T224-M227 WeakPolarHBondContact OG1-CE 3.47Å; P225-M227 VanDerWaalsContact C-N 3.3Å; M227-Y229 HydrophobicContact CB-CE2 4.1Å; M227-Y229 WeakPolarHBondContact O-CD2 3.35Å; M227-Y229 WeakPolarHBondContact O-CE2 3.29Å |
| 228 | Q | 91.8 | Very high | 90.7 | Very high | 147 Ų | 147 | 52.9 Ų | 52.9 | 69% | 0.687 | 28% | 0.275 | S | S | * | . | trans | -81.5 | 132.5 | 170.3 | -66.4 | -174.6 | -1.6 | 0 | 0 | 110.1 | D192 A193 | D192-Q228 CarbonylContact C-O 3.44Å; A193-Q228 PolarHBondContact N-O 3.4Å; A193-Q228 VanDerWaalsContact N-O 3.11Å | ||
| 229 | Y | 95.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 152.6 | 175.9 | -66.2 | -80.7 | 0 | 0 | 0 | 110.3 | I165 V190 M191 D192 V198 L223 T224 M227 L250 F252 | I165-Y229 HydrophobicContact CD1-CD1 4.35Å; I165-Y229 HydrophobicContact CD1-CD2 4.02Å; I165-Y229 HydrophobicContact CD1-CG 3.77Å; V190-Y229 HydrophobicContact CG1-CD1 4.33Å; M191-Y229 CarbonylContact O-C 3.5Å; M191-Y229 WeakPolarHBondContact O-CA 3.28Å; D192-Y229 HydrophobicContact CB-CD1 4.47Å; D192-Y229 HydrophobicContact CB-CE1 4.23Å; V198-Y229 HydrophobicContact CG2-CE1 4.27Å; L223-Y229 WeakPolarHBondContact CA-OH 3.33Å; L223-Y229 HydrophobicContact CB-CE2 4.33Å; L223-Y229 VanDerWaalsContact CB-OH 3.28Å; L223-Y229 WeakPolarHBondContact CB-OH 3.14Å; L223-Y229 HydrophobicContact CD1-CE1 4.22Å; L223-Y229 HydrophobicContact CD1-CE2 4.5Å; L223-Y229 HydrophobicContact CD2-CE1 4.02Å; T224-Y229 PolarHBondContact N-OH 3.08Å; M227-Y229 HydrophobicContact CB-CE2 4.1Å; M227-Y229 WeakPolarHBondContact O-CD2 3.35Å; M227-Y229 WeakPolarHBondContact O-CE2 3.29Å; Y229-L250 PolarHBondContact O-N 3.26Å; Y229-F252 HydrophobicContact CD2-CB 3.82Å; Y229-F252 HydrophobicContact CD2-CG 4.48Å; Y229-F252 HydrophobicContact CE2-CB 3.99Å; Y229-F252 HydrophobicContact CE2-CD2 4.42Å; Y229-F252 HydrophobicContact CE2-CG 4.21Å |
| 230 | K | 96.1 | Very high | 89.9 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.2 | 174.6 | 65.5 | -178.7 | -178.8 | 175 | 0 | 111.9 | V190 M191 N195 A248 | V190-K230 CarbonylContact C-O 3.58Å; V190-K230 WeakPolarHBondContact CA-O 3.22Å; M191-K230 HydrophobicContact CB-CD 4.45Å; M191-K230 HydrophobicContact CB-CG 3.78Å; M191-K230 PolarHBondContact N-O 3.42Å; M191-K230 PolarHBondContact O-N 3.34Å; N195-K230 WeakPolarHBondContact OD1-CE 3.42Å; N195-K230 PolarHBondContact OD1-NZ 2.8Å; K230-A248 CarbonylContact C-O 3.58Å; K230-A248 WeakPolarHBondContact CA-O 3.09Å; K230-A248 WeakPolarHBondContact CB-O 3.39Å |
| 231 | L | 97.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.4 | 166.1 | -177.3 | 64.4 | 0 | 0 | 0 | 107.9 | A161 Y171 V173 R189 V233 S247 A248 L250 | A161-L231 HydrophobicContact CB-CD2 3.64Å; Y171-L231 HydrophobicContact CE1-CD1 3.89Å; Y171-L231 HydrophobicContact CE1-CD2 4.17Å; V173-L231 HydrophobicContact CG2-CD1 4.02Å; V173-L231 HydrophobicContact CG2-CD2 3.9Å; R189-L231 CarbonylContact O-C 3.44Å; L231-V233 HydrophobicContact CD1-CG2 4.22Å; L231-V233 HydrophobicContact CD2-CG2 3.82Å; L231-V233 HydrophobicContact CG-CG2 3.75Å; L231-S247 CarbonylContact O-C 3.52Å; L231-S247 WeakPolarHBondContact O-CA 3.4Å; L231-S247 WeakPolarHBondContact O-CB 3.48Å; L231-A248 PolarHBondContact N-O 3.11Å; L231-A248 PolarHBondContact O-N 3.3Å; L231-L250 HydrophobicContact CB-CD1 3.89Å; L231-L250 HydrophobicContact CB-CD2 4.09Å; L231-L250 HydrophobicContact CB-CG 4.04Å |
| 232 | F | 96.8 | Very high | 89.7 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.6 | 170.8 | -179.5 | -88.2 | 0 | 0 | 0 | 108.9 | A188 R189 M191 Q234 Q245 Q246 | A188-F232 CarbonylContact C-O 3.57Å; A188-F232 WeakPolarHBondContact CA-O 3.33Å; R189-F232 HydrophobicContact CB-CB 4.48Å; R189-F232 PolarHBondContact N-O 3.29Å; R189-F232 PolarHBondContact O-N 2.83Å; M191-F232 HydrophobicContact CG-CB 4.31Å; M191-F232 HydrophobicContact SD-CB 3.5Å; M191-F232 WeakPolarHBondContact SD-CB 3.42Å; M191-F232 HydrophobicContact SD-CD2 4.35Å; M191-F232 HydrophobicContact SD-CG 3.9Å; F232-Q234 HydrophobicContact CE1-CB 3.75Å; F232-Q234 HydrophobicContact CZ-CB 4.37Å; F232-Q245 HydrophobicContact CE2-CB 4.32Å; F232-Q245 HydrophobicContact CZ-CB 4.09Å; F232-Q245 HydrophobicContact CZ-CG 4.04Å; F232-Q246 WeakPolarHBondContact CA-O 3.39Å |
| 233 | V | 96.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.8 | -179.9 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | I159 V173 V186 R187 L231 F244 Q246 | I159-V233 HydrophobicContact CD1-CB 4.29Å; I159-V233 HydrophobicContact CD1-CG1 4.11Å; I159-V233 HydrophobicContact CG2-CG2 4.38Å; V173-V233 HydrophobicContact CG1-CG2 4.28Å; V186-V233 HydrophobicContact CG1-CG1 3.45Å; V186-V233 VanDerWaalsContact CG1-CG1 3.45Å; R187-V233 CarbonylContact O-C 3.5Å; R187-V233 WeakPolarHBondContact O-CA 3.12Å; L231-V233 HydrophobicContact CD1-CG2 4.22Å; L231-V233 HydrophobicContact CD2-CG2 3.82Å; L231-V233 HydrophobicContact CG-CG2 3.75Å; V233-F244 HydrophobicContact CB-CE2 4.42Å; V233-F244 HydrophobicContact CG1-CE2 3.98Å; V233-F244 HydrophobicContact CG1-CZ 4.39Å; V233-Q246 PolarHBondContact N-O 2.64Å; V233-Q246 PolarHBondContact O-N 2.68Å |
| 234 | Q | 94.1 | Very high | 90 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125 | -179.7 | 171.5 | 170.3 | -1.5 | 0 | 0 | 110.1 | V186 R187 F232 E236 V242 F244 Q245 | V186-Q234 CarbonylContact C-O 3.57Å; V186-Q234 WeakPolarHBondContact CA-O 2.88Å; R187-Q234 PolarHBondContact N-O 3.44Å; R187-Q234 PolarHBondContact O-N 2.84Å; F232-Q234 HydrophobicContact CE1-CB 3.75Å; F232-Q234 HydrophobicContact CZ-CB 4.37Å; Q234-E236 HydrophobicContact CG-CG 3.99Å; Q234-E236 PolarHBondContact NE2-OE1 2.82Å; Q234-V242 HydrophobicContact CG-CG1 4.39Å; Q234-F244 WeakPolarHBondContact CA-O 3.48Å; Q234-Q245 HydrophobicContact CB-CG 4.19Å; Q234-Q245 HydrophobicContact CG-CG 3.93Å |
| 235 | G | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V185 L243 F244 | V185-G235 CarbonylContact O-C 3.59Å; V185-G235 WeakPolarHBondContact O-CA 3.5Å; G235-L243 PolarHBondContact O-N 3.28Å; G235-F244 PolarHBondContact N-O 3.45Å; G235-F244 VanDerWaalsContact N-O 3.07Å; G235-F244 PolarHBondContact O-N 2.93Å |
| 236 | E | 91.5 | Very high | 90.7 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.4 | 178.7 | -58.6 | 179.3 | 153.5 | 0 | 0 | 109.2 | V184 V185 R187 Q234 R241 V242 | V184-E236 CarbonylContact C-O 3.54Å; V184-E236 WeakPolarHBondContact CA-O 3.46Å; V184-E236 WeakPolarHBondContact CG1-O 3.34Å; V185-E236 PolarHBondContact N-O 2.97Å; V185-E236 PolarHBondContact O-N 2.98Å; R187-E236 IonicContact CZ-OE2 3.07Å; R187-E236 IonicContact NE-OE2 3.91Å; R187-E236 PolarHBondContact NE-OE2 2.88Å; R187-E236 IonicContact NH2-OE2 2.8Å; R187-E236 PolarHBondContact NH2-OE2 2.91Å; R187-E236 VanDerWaalsContact NH2-OE2 3.09Å; Q234-E236 HydrophobicContact CG-CG 3.99Å; Q234-E236 PolarHBondContact NE2-OE1 2.82Å; E236-R241 WeakPolarHBondContact CA-O 3.31Å; E236-V242 HydrophobicContact CG-CG2 4.32Å |
| 237 | T | 88.2 | Confident | 91.2 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 160.7 | 165.2 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | E182 S239 G240 R241 L243 | E182-T237 HydrophobicContact CB-CG2 4.39Å; E182-T237 WeakPolarHBondContact OE2-CB 3.25Å; T237-S239 WeakPolarHBondContact CB-OG 3.46Å; T237-S239 PolarHBondContact O-N 2.95Å; T237-S239 PolarHBondContact OG1-OG 3.19Å; T237-G240 PolarHBondContact O-N 3.03Å; T237-R241 PolarHBondContact N-O 2.85Å; T237-R241 WeakPolarHBondContact OG1-CA 3.17Å; T237-R241 VanDerWaalsContact OG1-CB 3.29Å; T237-R241 WeakPolarHBondContact OG1-CB 3.3Å; T237-R241 PolarHBondContact OG1-N 3.09Å; T237-R241 PolarHBondContact OG1-O 3.41Å; T237-L243 HydrophobicContact CG2-CD1 3.95Å; T237-L243 HydrophobicContact CG2-CD2 3.74Å; T237-L243 HydrophobicContact CG2-CG 3.85Å |
| 238 | V | 84.6 | Confident | 91.6 | Very high | 105 Ų | 105 | 45.7 Ų | 45.7 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.5 | 172 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | P183 G240 | P183-V238 HydrophobicContact CB-CG2 4.02Å; P183-V238 HydrophobicContact CG-CG2 4.49Å; P183-V238 PolarHBondContact O-N 2.86Å; V238-G240 PolarHBondContact O-N 2.95Å |
| 239 | S | 84.1 | Confident | 91.7 | Very high | 85 Ų | 85 | 44.8 Ų | 44.8 | 59% | 0.594 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -2 | 174.8 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | E182 T237 | E182-S239 PolarHBondContact OE2-OG 3.41Å; T237-S239 WeakPolarHBondContact CB-OG 3.46Å; T237-S239 PolarHBondContact O-N 2.95Å; T237-S239 PolarHBondContact OG1-OG 3.19Å |
| 240 | G | 84 | Confident | 91.7 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 86.5 | 1.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T237 V238 V242 | T237-G240 PolarHBondContact O-N 3.03Å; V238-G240 PolarHBondContact O-N 2.95Å; G240-V242 PolarHBondContact O-N 2.99Å |
| 241 | R | 86.4 | Confident | 91.6 | Very high | 100 Ų | 100 | 46.7 Ų | 46.7 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | trans | -73.5 | 123.7 | 173.4 | 180 | -178.9 | 178.3 | -129.2 | 0.4 | 110.1 | N152 E236 T237 L243 | N152-R241 PolarHBondContact OD1-NH2 2.92Å; E236-R241 WeakPolarHBondContact CA-O 3.31Å; T237-R241 PolarHBondContact N-O 2.85Å; T237-R241 WeakPolarHBondContact OG1-CA 3.17Å; T237-R241 VanDerWaalsContact OG1-CB 3.29Å; T237-R241 WeakPolarHBondContact OG1-CB 3.3Å; T237-R241 PolarHBondContact OG1-N 3.09Å; T237-R241 PolarHBondContact OG1-O 3.41Å; R241-L243 PolarHBondContact O-N 2.95Å | ||
| 242 | V | 88.7 | Confident | 91.3 | Very high | 60 Ų | 60 | 48 Ų | 48 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 119.8 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | Q234 E236 G240 Q245 | Q234-V242 HydrophobicContact CG-CG1 4.39Å; E236-V242 HydrophobicContact CG-CG2 4.32Å; G240-V242 PolarHBondContact O-N 2.99Å; V242-Q245 HydrophobicContact CG1-CG 3.83Å |
| 243 | L | 87.9 | Confident | 91 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -39.6 | 176.1 | -64.7 | -179.6 | 0 | 0 | 0 | 111.6 | T154 F177 V184 G235 T237 R241 | T154-L243 WeakPolarHBondContact CB-O 3.27Å; T154-L243 WeakPolarHBondContact CG2-O 3.35Å; F177-L243 HydrophobicContact CE1-CD1 4.49Å; V184-L243 HydrophobicContact CB-CD1 4.34Å; V184-L243 HydrophobicContact CG1-CD1 3.86Å; V184-L243 HydrophobicContact CG2-CD1 3.48Å; V184-L243 VanDerWaalsContact CG2-CD1 3.48Å; G235-L243 PolarHBondContact O-N 3.28Å; T237-L243 HydrophobicContact CG2-CD1 3.95Å; T237-L243 HydrophobicContact CG2-CD2 3.74Å; T237-L243 HydrophobicContact CG2-CG 3.85Å; R241-L243 PolarHBondContact O-N 2.95Å |
| 244 | F | 89.6 | Confident | 90.6 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 159.4 | 177.1 | 66.9 | -97.3 | 0 | 0 | 0 | 112 | Y157 I159 F177 V233 Q234 G235 Q246 | Y157-F244 HydrophobicContact CD1-CB 4.31Å; Y157-F244 AromaticContact CD1-CD1 3.5Å; Y157-F244 HydrophobicContact CD1-CD1 3.5Å; Y157-F244 VanDerWaalsContact CD1-CD1 3.5Å; Y157-F244 HydrophobicContact CD1-CE1 4.04Å; Y157-F244 HydrophobicContact CD1-CG 4.05Å; Y157-F244 HydrophobicContact CD2-CD1 4.16Å; Y157-F244 HydrophobicContact CD2-CE1 4.16Å; Y157-F244 HydrophobicContact CD2-CG 4.4Å; Y157-F244 HydrophobicContact CD2-CZ 4.45Å; Y157-F244 HydrophobicContact CE1-CB 3.45Å; Y157-F244 VanDerWaalsContact CE1-CB 3.45Å; Y157-F244 AromaticContact CE1-CD1 3.53Å; Y157-F244 HydrophobicContact CE1-CD1 3.53Å; Y157-F244 HydrophobicContact CE1-CE1 4.41Å; Y157-F244 AromaticContact CE1-CG 3.59Å; Y157-F244 HydrophobicContact CE1-CG 3.59Å; Y157-F244 HydrophobicContact CE2-CB 4.36Å; Y157-F244 HydrophobicContact CE2-CD1 4.16Å; Y157-F244 HydrophobicContact CE2-CD2 4.1Å; Y157-F244 HydrophobicContact CE2-CE1 4.49Å; Y157-F244 HydrophobicContact CE2-CE2 4.49Å; Y157-F244 AromaticContact CE2-CG 3.95Å; Y157-F244 HydrophobicContact CE2-CG 3.95Å; Y157-F244 AromaticContact CG-CD1 3.84Å; Y157-F244 HydrophobicContact CG-CD1 3.84Å; Y157-F244 AromaticContact CG-CE1 3.93Å; Y157-F244 HydrophobicContact CG-CE1 3.93Å; Y157-F244 HydrophobicContact CG-CG 4.45Å; Y157-F244 VanDerWaalsContact CZ-CB 3.47Å; Y157-F244 AromaticContact CZ-CD1 3.86Å; Y157-F244 AromaticContact CZ-CG 3.52Å; Y157-F244 WeakPolarHBondContact OH-CB 3.48Å; I159-F244 HydrophobicContact CD1-CD2 4.11Å; I159-F244 HydrophobicContact CD1-CE2 3.4Å; I159-F244 HydrophobicContact CD1-CZ 3.72Å; I159-F244 HydrophobicContact CG1-CZ 4.48Å; F177-F244 HydrophobicContact CE1-CD1 4.37Å; F177-F244 AromaticContact CE1-CE1 3.6Å; F177-F244 HydrophobicContact CE1-CE1 3.6Å; F177-F244 AromaticContact CZ-CE1 3.72Å; F177-F244 HydrophobicContact CZ-CE1 3.72Å; F177-F244 HydrophobicContact CZ-CZ 4.26Å; V233-F244 HydrophobicContact CB-CE2 4.42Å; V233-F244 HydrophobicContact CG1-CE2 3.98Å; V233-F244 HydrophobicContact CG1-CZ 4.39Å; Q234-F244 WeakPolarHBondContact CA-O 3.48Å; G235-F244 PolarHBondContact N-O 3.45Å; G235-F244 VanDerWaalsContact N-O 3.07Å; G235-F244 PolarHBondContact O-N 2.93Å; F244-Q246 HydrophobicContact CD2-CG 4.14Å |
| 245 | Q | 93 | Very high | 90.3 | Very high | 105 Ų | 105 | 55.4 Ų | 55.4 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 122.4 | 165.8 | -70 | 178.6 | -9.7 | 0 | 0 | 107.5 | F232 Q234 V242 | F232-Q245 HydrophobicContact CE2-CB 4.32Å; F232-Q245 HydrophobicContact CZ-CB 4.09Å; F232-Q245 HydrophobicContact CZ-CG 4.04Å; Q234-Q245 HydrophobicContact CB-CG 4.19Å; Q234-Q245 HydrophobicContact CG-CG 3.93Å; V242-Q245 HydrophobicContact CG1-CG 3.83Å |
| 246 | Q | 92.9 | Very high | 90 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.6 | -178.1 | -72.2 | -66.1 | -13.2 | 0 | 0 | 109.9 | D79 Y157 I159 F232 V233 F244 | D79-Q246 PolarHBondContact OD2-NE2 2.76Å; Y157-Q246 HydrophobicContact CE2-CG 4.08Å; Y157-Q246 WeakPolarHBondContact OH-CG 3.34Å; Y157-Q246 PolarHBondContact OH-NE2 3.41Å; I159-Q246 HydrophobicContact CD1-CB 4.44Å; F232-Q246 WeakPolarHBondContact CA-O 3.39Å; V233-Q246 PolarHBondContact N-O 2.64Å; V233-Q246 PolarHBondContact O-N 2.68Å; F244-Q246 HydrophobicContact CD2-CG 4.14Å |
| 247 | S | 95 | Very high | 90 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 144.9 | 176 | 63.7 | 0 | 0 | 0 | 0 | 113 | L78 L231 | L78-S247 WeakPolarHBondContact CD2-O 3.31Å; L231-S247 CarbonylContact O-C 3.52Å; L231-S247 WeakPolarHBondContact O-CA 3.4Å; L231-S247 WeakPolarHBondContact O-CB 3.48Å |
| 248 | A | 95.3 | Very high | 90.3 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L78 K230 L231 | L78-A248 HydrophobicContact CD1-CB 3.51Å; L78-A248 HydrophobicContact CD2-CB 3.37Å; L78-A248 HydrophobicContact CG-CB 3.85Å; K230-A248 CarbonylContact C-O 3.58Å; K230-A248 WeakPolarHBondContact CA-O 3.09Å; K230-A248 WeakPolarHBondContact CB-O 3.39Å; L231-A248 PolarHBondContact N-O 3.11Å; L231-A248 PolarHBondContact O-N 3.3Å |
| 249 | N | 95.3 | Very high | 90.8 | Very high | 128 Ų | 128 | 51.7 Ų | 51.7 | 68% | 0.684 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 137.2 | 170.3 | -64.2 | -21 | 0 | 0 | 0 | 110 | ||
| 250 | L | 95.6 | Very high | 91.4 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 151.9 | 174 | -63.4 | 172.1 | 0 | 0 | 0 | 109.4 | R163 I165 Y171 V190 Y229 L231 | R163-L250 WeakPolarHBondContact O-CA 3.32Å; I165-L250 HydrophobicContact CD1-CB 4.43Å; I165-L250 HydrophobicContact CD1-CD1 4.39Å; I165-L250 HydrophobicContact CG1-CB 4.41Å; I165-L250 HydrophobicContact CG2-CB 4.41Å; I165-L250 HydrophobicContact CG2-CD1 3.77Å; I165-L250 HydrophobicContact CG2-CD2 4.38Å; I165-L250 HydrophobicContact CG2-CG 4.41Å; Y171-L250 HydrophobicContact CE2-CD2 4.41Å; Y171-L250 VanDerWaalsContact OH-CD2 3.27Å; Y171-L250 WeakPolarHBondContact OH-CD2 3.44Å; V190-L250 HydrophobicContact CG1-CD1 4.05Å; V190-L250 HydrophobicContact CG2-CD1 4.19Å; Y229-L250 PolarHBondContact O-N 3.26Å; L231-L250 HydrophobicContact CB-CD1 3.89Å; L231-L250 HydrophobicContact CB-CD2 4.09Å; L231-L250 HydrophobicContact CB-CG 4.04Å |
| 251 | E | 92.5 | Very high | 91.9 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 40% | 0.397 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.7 | 176.4 | -179.7 | 172.8 | 166.5 | 0 | 0 | 109 | R163 L164 I165 | R163-E251 HydrophobicContact CG-CB 4.38Å; R163-E251 IonicContact CZ-OE2 3.92Å; R163-E251 IonicContact NE-OE2 2.8Å; R163-E251 PolarHBondContact NE-OE2 3.1Å; R163-E251 IonicContact NH2-OE2 3.21Å; R163-E251 PolarHBondContact NH2-OE2 3.23Å; R163-E251 PolarHBondContact O-N 2.83Å; L164-E251 WeakPolarHBondContact CA-O 3.42Å; L164-E251 HydrophobicContact CD2-CB 3.86Å; L164-E251 HydrophobicContact CD2-CG 3.86Å; I165-E251 PolarHBondContact N-O 2.92Å |
| 252 | F | 92.2 | Very high | 92.4 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.2 | -179.8 | 176.4 | -99.8 | 0 | 0 | 0 | 110.4 | I165 P167 L223 P225 Y229 H254 | I165-F252 HydrophobicContact CD1-CB 4.5Å; I165-F252 HydrophobicContact CD1-CD2 4.27Å; I165-F252 HydrophobicContact CG1-CB 4.23Å; I165-F252 HydrophobicContact CG1-CD2 4.13Å; P167-F252 HydrophobicContact CB-CE2 4.39Å; P167-F252 HydrophobicContact CG-CE2 4.23Å; P167-F252 HydrophobicContact CG-CZ 4.14Å; L223-F252 HydrophobicContact CB-CD2 3.99Å; L223-F252 HydrophobicContact CB-CE2 3.48Å; L223-F252 VanDerWaalsContact CB-CE2 3.48Å; L223-F252 HydrophobicContact CB-CZ 3.77Å; L223-F252 HydrophobicContact CD1-CD2 3.82Å; L223-F252 HydrophobicContact CD1-CE2 3.71Å; L223-F252 HydrophobicContact CG-CE2 4.09Å; P225-F252 HydrophobicContact CB-CD1 4.25Å; P225-F252 HydrophobicContact CB-CE1 4.23Å; P225-F252 HydrophobicContact CG-CE1 4.09Å; Y229-F252 HydrophobicContact CD2-CB 3.82Å; Y229-F252 HydrophobicContact CD2-CG 4.48Å; Y229-F252 HydrophobicContact CE2-CB 3.99Å; Y229-F252 HydrophobicContact CE2-CD2 4.42Å; Y229-F252 HydrophobicContact CE2-CG 4.21Å; F252-H254 HydrophobicContact CE1-CB 4.01Å; F252-H254 HydrophobicContact CZ-CB 4.46Å |
| 253 | V | 90.5 | Very high | 92.7 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | trans | -115 | 113.8 | 173.1 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | L164 I165 R166 P167 K255 | L164-V253 HydrophobicContact CD2-CG2 3.67Å; I165-V253 PolarHBondContact O-N 2.87Å; R166-V253 WeakPolarHBondContact CA-O 2.78Å; R166-V253 HydrophobicContact CG-CB 3.91Å; R166-V253 HydrophobicContact CG-CG1 4.31Å; R166-V253 WeakPolarHBondContact CG-O 3.38Å; P167-V253 WeakPolarHBondContact CD-O 3.5Å; V253-K255 VanDerWaalsContact C-N 3.27Å; V253-K255 HydrophobicContact CG1-CB 4.27Å; V253-K255 PolarHBondContact O-N 3.02Å | ||
| 254 | H | 87.5 | Confident | 93 | Very high | 76 Ų | 76 | 52.4 Ų | 52.4 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | trans | -58.5 | -41.4 | 179.9 | -173.5 | -86.1 | 0 | 0 | 0 | 112.2 | P167 F252 S256 E344 E345 | P167-H254 WeakPolarHBondContact CD-O 3.45Å; P167-H254 WeakPolarHBondContact CG-O 3.17Å; F252-H254 HydrophobicContact CE1-CB 4.01Å; F252-H254 HydrophobicContact CZ-CB 4.46Å; H254-S256 PolarHBondContact O-N 3.43Å; H254-E344 IonicContact NE2-OE2 3.09Å; H254-E345 IonicContact CE1-OE1 3.5Å; H254-E345 PolarHBondContact CE1-OE1 3.21Å; H254-E345 IonicContact CG-OE1 2.77Å; H254-E345 IonicContact ND1-OE1 3.78Å; H254-E345 PolarHBondContact ND1-OE1 3.12Å | ||
| 255 | K | 87.5 | Confident | 93.1 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | trans | -65 | 103 | -176.9 | -169 | 171.5 | -176.6 | 179.3 | 0 | 112.5 | R166 V253 H257 S258 E345 | R166-K255 VanDerWaalsContact CD-O 3.28Å; R166-K255 WeakPolarHBondContact CD-O 3.44Å; R166-K255 PolarHBondContact NE-O 2.64Å; V253-K255 VanDerWaalsContact C-N 3.27Å; V253-K255 HydrophobicContact CG1-CB 4.27Å; V253-K255 PolarHBondContact O-N 3.02Å; K255-H257 WeakPolarHBondContact CE-O 3.41Å; K255-H257 WeakPolarHBondContact CG-O 3.43Å; K255-S258 VanDerWaalsContact CE-OG 3.25Å; K255-S258 WeakPolarHBondContact CE-OG 3.2Å; K255-S258 PolarHBondContact NZ-OG 2.85Å; K255-E345 VanDerWaalsContact CA-OE1 3.29Å; K255-E345 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 256 | S | 88 | Confident | 93 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | trans | -86.8 | -26.5 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | P167 H254 P283 | P167-S256 WeakPolarHBondContact O-CB 3.28Å; H254-S256 PolarHBondContact O-N 3.43Å; S256-P283 WeakPolarHBondContact O-CD 3.45Å; S256-P283 VanDerWaalsContact O-CG 3.32Å; S256-P283 WeakPolarHBondContact O-CG 3.48Å | ||
| 257 | H | 90.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | trans | -141.9 | 161.2 | -178.6 | -54.7 | 90.1 | 0 | 0 | 0 | 110.8 | K255 V280 V281 Y288 | K255-H257 WeakPolarHBondContact CE-O 3.41Å; K255-H257 WeakPolarHBondContact CG-O 3.43Å; H257-V280 HydrophobicContact CB-CG1 4.14Å; H257-V281 CarbonylContact C-O 3.57Å; H257-V281 VanDerWaalsContact CA-O 3.3Å; H257-V281 WeakPolarHBondContact CA-O 3.1Å; H257-V281 WeakPolarHBondContact CB-O 3.11Å; H257-Y288 AromaticContact CD2-CD2 3.22Å; H257-Y288 WeakPolarHBondContact CD2-CD2 3.35Å; H257-Y288 AromaticContact CD2-CE2 3.75Å; H257-Y288 AromaticContact CD2-CG 3.69Å; H257-Y288 AromaticContact CE1-CD2 3.78Å; H257-Y288 AromaticContact CE1-CE2 3.47Å; H257-Y288 VanDerWaalsContact CE1-CE2 3.47Å; H257-Y288 WeakPolarHBondContact CE1-CE2 3.34Å; H257-Y288 AromaticContact CG-CD2 3.96Å; H257-Y288 AromaticContact NE2-CD2 3.12Å; H257-Y288 WeakPolarHBondContact NE2-CD2 3.07Å; H257-Y288 AromaticContact NE2-CE2 3.26Å; H257-Y288 VanDerWaalsContact NE2-CE2 3.26Å; H257-Y288 WeakPolarHBondContact NE2-CE2 3.48Å | ||
| 258 | S | 94.2 | Very high | 93.1 | Very high | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.4 | 173.2 | -64 | 0 | 0 | 0 | 0 | 110.4 | K255 V280 V281 | K255-S258 VanDerWaalsContact CE-OG 3.25Å; K255-S258 WeakPolarHBondContact CE-OG 3.2Å; K255-S258 PolarHBondContact NZ-OG 2.85Å; S258-V280 WeakPolarHBondContact O-CA 3.5Å; S258-V281 PolarHBondContact N-O 3.44Å; S258-V281 PolarHBondContact O-N 3.29Å |
| 259 | I | 95.9 | Very high | 93 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.4 | 177.6 | -53 | 165.4 | 0 | 0 | 0 | 107.6 | I261 V278 I279 V280 V340 V342 E345 A347 | I259-I261 HydrophobicContact CG2-CG1 4.1Å; I259-V278 HydrophobicContact CG2-CG1 3.97Å; I259-I279 CarbonylContact C-O 3.56Å; I259-I279 WeakPolarHBondContact CA-O 3.48Å; I259-V280 HydrophobicContact CG1-CG1 4.24Å; I259-V280 HydrophobicContact CG1-CG2 4.31Å; I259-V280 HydrophobicContact CG2-CG2 4.38Å; I259-V340 HydrophobicContact CG2-CB 4.05Å; I259-V340 HydrophobicContact CG2-CG1 3.9Å; I259-V342 HydrophobicContact CD1-CB 3.94Å; I259-V342 HydrophobicContact CD1-CG2 3.76Å; I259-V342 HydrophobicContact CG1-CB 4.45Å; I259-V342 HydrophobicContact CG1-CG2 4.11Å; I259-E345 HydrophobicContact CD1-CB 4.37Å; I259-A347 HydrophobicContact CB-CB 3.71Å; I259-A347 HydrophobicContact CD1-CB 4.19Å; I259-A347 HydrophobicContact CG2-CB 3.95Å |
| 260 | F | 95.9 | Very high | 93 | Very high | 103 Ų | 103 | 56.4 Ų | 56.4 | 45% | 0.452 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.2 | 173.9 | -59.5 | -82.3 | 0 | 0 | 0 | 108.6 | V278 I279 V281 | F260-V278 CarbonylContact O-C 3.57Å; F260-V278 WeakPolarHBondContact O-CA 3.23Å; F260-I279 HydrophobicContact CB-CB 4.34Å; F260-I279 PolarHBondContact N-O 3.28Å; F260-I279 PolarHBondContact O-N 3.43Å; F260-V281 HydrophobicContact CD2-CG2 4.4Å; F260-V281 HydrophobicContact CE2-CG2 3.68Å |
| 261 | I | 96.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.8 | 178.8 | -53.6 | 164.9 | 0 | 0 | 0 | 106.8 | I259 I276 R277 V278 I338 V340 A347 E349 | I259-I261 HydrophobicContact CG2-CG1 4.1Å; I261-I276 HydrophobicContact CG2-CG2 4.2Å; I261-R277 CarbonylContact C-O 3.52Å; I261-R277 WeakPolarHBondContact CA-O 3.21Å; I261-V278 HydrophobicContact CG1-CG2 4.35Å; I261-V278 HydrophobicContact CG2-CG2 4.36Å; I261-I338 HydrophobicContact CG2-CB 4.17Å; I261-I338 HydrophobicContact CG2-CD1 4.28Å; I261-I338 HydrophobicContact CG2-CG2 3.85Å; I261-V340 HydrophobicContact CD1-CB 3.94Å; I261-V340 HydrophobicContact CD1-CG2 3.56Å; I261-V340 HydrophobicContact CG1-CB 4.34Å; I261-V340 HydrophobicContact CG1-CG2 3.78Å; I261-A347 HydrophobicContact CD1-CB 4.07Å; I261-A347 WeakPolarHBondContact CD1-O 2.98Å; I261-E349 HydrophobicContact CB-CB 3.7Å; I261-E349 HydrophobicContact CB-CG 4.45Å; I261-E349 HydrophobicContact CD1-CB 4.32Å; I261-E349 HydrophobicContact CG2-CB 3.7Å; I261-E349 HydrophobicContact CG2-CG 4.42Å |
| 262 | Q | 95.4 | Very high | 93 | Very high | 100 Ų | 100 | 54.4 Ų | 54.4 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147.3 | -179.1 | -64.9 | -178.3 | -32.2 | 0 | 0 | 109.7 | I276 R277 | Q262-I276 CarbonylContact O-C 3.57Å; Q262-I276 WeakPolarHBondContact O-CA 3.45Å; Q262-R277 HydrophobicContact CB-CB 4.46Å; Q262-R277 PolarHBondContact N-O 3.22Å; Q262-R277 PolarHBondContact O-N 3.46Å |
| 263 | T | 95.4 | Very high | 93.1 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 155.5 | 170.3 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | R265 Y268 V274 H275 I276 I338 F351 | T263-R265 WeakPolarHBondContact CB-O 3.33Å; T263-R265 PolarHBondContact O-N 2.97Å; T263-R265 PolarHBondContact OG1-O 2.86Å; T263-Y268 WeakPolarHBondContact CB-OH 3.47Å; T263-V274 HydrophobicContact CG2-CG1 4.18Å; T263-H275 WeakPolarHBondContact CA-O 3.33Å; T263-I276 HydrophobicContact CG2-CG1 4.36Å; T263-I338 HydrophobicContact CG2-CD1 3.64Å; T263-F351 HydrophobicContact CG2-CB 4.2Å; T263-F351 HydrophobicContact CG2-CD1 4.16Å; T263-F351 HydrophobicContact CG2-CG 4.36Å |
| 264 | D | 94.1 | Very high | 93.4 | Very high | 76 Ų | 76 | 54 Ų | 54 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -64.7 | -20.3 | 177.7 | 68.5 | -67 | 0 | 0 | 0 | 113.2 | Y268 H275 | D264-Y268 VanDerWaalsContact CG-OH 3.27Å; D264-Y268 PolarHBondContact N-OH 3.49Å; D264-Y268 VanDerWaalsContact N-OH 3.16Å; D264-Y268 WeakPolarHBondContact OD1-CE1 3.37Å; D264-Y268 PolarHBondContact OD1-OH 3.49Å; D264-H275 HydrophobicContact CB-CB 4.25Å; D264-H275 PolarHBondContact N-O 3.2Å; D264-H275 VanDerWaalsContact N-O 3.08Å; D264-H275 PolarHBondContact OD1-N 3.49Å; D264-H275 IonicContact OD1-ND1 3.56Å |
| 265 | R | 92.5 | Very high | 93.8 | Very high | 143 Ų | 143 | 53.7 Ų | 53.7 | 54% | 0.54 | 29% | 0.285 | S | S | . | . | trans | -144 | 154.8 | 178.4 | -53.9 | 171.2 | -159.4 | -153.8 | -4 | 110.4 | T263 Y268 | T263-R265 WeakPolarHBondContact CB-O 3.33Å; T263-R265 PolarHBondContact O-N 2.97Å; T263-R265 PolarHBondContact OG1-O 2.86Å; R265-Y268 HydrophobicContact CB-CE1 4Å; R265-Y268 HydrophobicContact CB-CE2 4.02Å; R265-Y268 HydrophobicContact CG-CE1 4.16Å; R265-Y268 PolarHBondContact N-OH 3.2Å; R265-Y268 WeakPolarHBondContact O-CE2 3.35Å; R265-Y268 PolarHBondContact O-OH 3.46Å | ||
| 266 | G | 91 | Very high | 94.1 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 58% | 0.577 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -78.6 | -28 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | G352 | G266-G352 PolarHBondContact O-N 3.15Š|
| 267 | I | 93.4 | Very high | 94.4 | Very high | 93 Ų | 93 | 56.7 Ų | 56.7 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.1 | -178.3 | -55.1 | 175 | 0 | 0 | 0 | 109.7 | G352 D354 | I267-G352 CarbonylContact C-O 3.57Å; I267-G352 VanDerWaalsContact CA-O 3.29Å; I267-G352 WeakPolarHBondContact CA-O 3.32Å; I267-D354 HydrophobicContact CG2-CB 4.11Å |
| 268 | Y | 95 | Very high | 94.7 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 149.7 | 178.7 | -64.9 | -95.1 | 0 | 0 | 0 | 111.5 | T263 D264 R265 V274 F351 G352 V353 D354 | T263-Y268 WeakPolarHBondContact CB-OH 3.47Å; D264-Y268 VanDerWaalsContact CG-OH 3.27Å; D264-Y268 PolarHBondContact N-OH 3.49Å; D264-Y268 VanDerWaalsContact N-OH 3.16Å; D264-Y268 WeakPolarHBondContact OD1-CE1 3.37Å; D264-Y268 PolarHBondContact OD1-OH 3.49Å; R265-Y268 HydrophobicContact CB-CE1 4Å; R265-Y268 HydrophobicContact CB-CE2 4.02Å; R265-Y268 HydrophobicContact CG-CE1 4.16Å; R265-Y268 PolarHBondContact N-OH 3.2Å; R265-Y268 WeakPolarHBondContact O-CE2 3.35Å; R265-Y268 PolarHBondContact O-OH 3.46Å; Y268-V274 HydrophobicContact CD1-CB 4.47Å; Y268-V274 HydrophobicContact CD1-CG2 3.73Å; Y268-V274 HydrophobicContact CD2-CG2 3.88Å; Y268-V274 HydrophobicContact CE1-CB 4.12Å; Y268-V274 HydrophobicContact CE1-CG1 4.33Å; Y268-V274 HydrophobicContact CE1-CG2 3.86Å; Y268-V274 HydrophobicContact CE2-CB 4.41Å; Y268-V274 HydrophobicContact CE2-CG1 3.92Å; Y268-V274 HydrophobicContact CE2-CG2 4Å; Y268-V274 HydrophobicContact CG-CG2 3.74Å; Y268-F351 AromaticContact CD2-CD2 3.69Å; Y268-F351 HydrophobicContact CD2-CD2 3.69Å; Y268-F351 HydrophobicContact CD2-CE2 4.31Å; Y268-F351 HydrophobicContact CD2-CG 4.44Å; Y268-F351 HydrophobicContact CE2-CB 4.32Å; Y268-F351 AromaticContact CE2-CD2 3.99Å; Y268-F351 HydrophobicContact CE2-CD2 3.99Å; Y268-F351 HydrophobicContact CE2-CG 4.35Å; Y268-G352 PolarHBondContact N-O 3.3Å; Y268-V353 WeakPolarHBondContact O-CA 3.14Å; Y268-D354 PolarHBondContact O-N 2.85Å |
| 269 | K | 93.8 | Very high | 94.7 | Very high | 118 Ų | 118 | 57.1 Ų | 57.1 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | trans | -91.8 | 155.8 | 170.8 | 63.2 | 177.9 | -178 | 180 | 0 | 111.2 | G271 S272 D354 | K269-G271 PolarHBondContact O-N 3Å; K269-S272 WeakPolarHBondContact CG-OG 3.48Å; K269-S272 PolarHBondContact N-OG 3.08Å; K269-S272 WeakPolarHBondContact O-CB 3.38Å; K269-S272 PolarHBondContact O-N 3.38Å; K269-S272 PolarHBondContact O-OG 3.38Å; K269-D354 WeakPolarHBondContact CA-O 3.34Å | ||
| 270 | P | 95.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 25% | 0.253 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 137.4 | 166.5 | -31.2 | 37 | 0 | 0 | 0 | 113 | S272 T329 P331 L333 D354 | P270-S272 VanDerWaalsContact C-N 3.3Å; P270-S272 PolarHBondContact O-N 2.95Å; P270-T329 VanDerWaalsContact CB-O 3.3Å; P270-T329 WeakPolarHBondContact CB-O 3.24Å; P270-P331 HydrophobicContact CB-CG 4.01Å; P270-P331 HydrophobicContact CG-CG 4.09Å; P270-L333 HydrophobicContact CG-CD2 4.24Å; P270-D354 WeakPolarHBondContact CD-O 3.13Å |
| 271 | G | 94 | Very high | 94.7 | Very high | 44 Ų | 44 | 52 Ų | 52 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 5.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K269 L327 T328 | K269-G271 PolarHBondContact O-N 3Å; G271-L327 WeakPolarHBondContact CA-O 3.3Å; G271-T328 PolarHBondContact N-O 3.39Å |
| 272 | S | 93.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | trans | -82.2 | 154.4 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | K269 P270 L327 | K269-S272 WeakPolarHBondContact CG-OG 3.48Å; K269-S272 PolarHBondContact N-OG 3.08Å; K269-S272 WeakPolarHBondContact O-CB 3.38Å; K269-S272 PolarHBondContact O-N 3.38Å; K269-S272 PolarHBondContact O-OG 3.38Å; P270-S272 VanDerWaalsContact C-N 3.3Å; P270-S272 PolarHBondContact O-N 2.95Å; S272-L327 WeakPolarHBondContact O-CB 3.48Å; S272-L327 WeakPolarHBondContact O-CG 3.48Å; S272-L327 PolarHBondContact O-N 3.42Å | ||
| 273 | D | 95.6 | Very high | 94.3 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.7 | 168.2 | -73.6 | -33.1 | 0 | 0 | 0 | 110.5 | H275 K324 T326 | D273-H275 PolarHBondContact O-ND1 2.77Å; D273-K324 WeakPolarHBondContact OD1-CE 3.41Å; D273-K324 IonicContact OD1-NZ 2.7Å; D273-K324 WeakPolarHBondContact OD2-CE 3.35Å; D273-K324 IonicContact OD2-NZ 3.02Å; D273-K324 PolarHBondContact OD2-NZ 3.44Å; D273-T326 WeakPolarHBondContact OD1-CA 3.4Å; D273-T326 VanDerWaalsContact OD1-CB 3.31Å; D273-T326 WeakPolarHBondContact OD1-CB 3.39Å; D273-T326 WeakPolarHBondContact OD1-CG2 3.22Å; D273-T326 PolarHBondContact OD1-OG1 2.89Å |
| 274 | V | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.8 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | T263 Y268 I276 K324 L325 L327 F351 | T263-V274 HydrophobicContact CG2-CG1 4.18Å; Y268-V274 HydrophobicContact CD1-CB 4.47Å; Y268-V274 HydrophobicContact CD1-CG2 3.73Å; Y268-V274 HydrophobicContact CD2-CG2 3.88Å; Y268-V274 HydrophobicContact CE1-CB 4.12Å; Y268-V274 HydrophobicContact CE1-CG1 4.33Å; Y268-V274 HydrophobicContact CE1-CG2 3.86Å; Y268-V274 HydrophobicContact CE2-CB 4.41Å; Y268-V274 HydrophobicContact CE2-CG1 3.92Å; Y268-V274 HydrophobicContact CE2-CG2 4Å; Y268-V274 HydrophobicContact CG-CG2 3.74Å; V274-I276 HydrophobicContact CG1-CD1 4.41Å; V274-I276 HydrophobicContact CG1-CG1 3.92Å; V274-K324 WeakPolarHBondContact O-CA 3.37Å; V274-L325 HydrophobicContact CB-CB 4.22Å; V274-L325 PolarHBondContact N-O 2.9Å; V274-L325 PolarHBondContact O-N 3.25Å; V274-L327 HydrophobicContact CG2-CD1 3.95Å; V274-L327 HydrophobicContact CG2-CD2 4.43Å; V274-L327 HydrophobicContact CG2-CG 4.02Å; V274-F351 HydrophobicContact CG1-CE1 4.32Å; V274-F351 HydrophobicContact CG1-CE2 4.25Å; V274-F351 HydrophobicContact CG1-CZ 4.14Å; V274-F351 HydrophobicContact CG2-CD2 4.42Å; V274-F351 HydrophobicContact CG2-CE2 3.8Å; V274-F351 HydrophobicContact CG2-CZ 4.18Å |
| 275 | H | 95.6 | Very high | 93.9 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.2 | 174.9 | -60.4 | 80.2 | 0 | 0 | 0 | 109 | T263 D264 D273 | T263-H275 WeakPolarHBondContact CA-O 3.33Å; D264-H275 HydrophobicContact CB-CB 4.25Å; D264-H275 PolarHBondContact N-O 3.2Å; D264-H275 VanDerWaalsContact N-O 3.08Å; D264-H275 PolarHBondContact OD1-N 3.49Å; D264-H275 IonicContact OD1-ND1 3.56Å; D273-H275 PolarHBondContact O-ND1 2.77Å |
| 276 | I | 95.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.087 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.9 | -174.4 | -52.2 | 166.7 | 0 | 0 | 0 | 108.5 | I261 Q262 T263 V274 V278 I296 L323 I338 | I261-I276 HydrophobicContact CG2-CG2 4.2Å; Q262-I276 CarbonylContact O-C 3.57Å; Q262-I276 WeakPolarHBondContact O-CA 3.45Å; T263-I276 HydrophobicContact CG2-CG1 4.36Å; V274-I276 HydrophobicContact CG1-CD1 4.41Å; V274-I276 HydrophobicContact CG1-CG1 3.92Å; I276-V278 HydrophobicContact CG2-CG2 4.2Å; I276-I296 HydrophobicContact CD1-CD1 3.45Å; I276-I296 VanDerWaalsContact CD1-CD1 3.45Å; I276-I296 HydrophobicContact CD1-CG1 4.25Å; I276-L323 HydrophobicContact CB-CB 4.26Å; I276-L323 HydrophobicContact CB-CD2 3.68Å; I276-L323 HydrophobicContact CB-CG 3.99Å; I276-L323 HydrophobicContact CG2-CD2 3.49Å; I276-L323 VanDerWaalsContact CG2-CD2 3.49Å; I276-L323 HydrophobicContact CG2-CG 4.31Å; I276-L323 PolarHBondContact N-O 3.43Å; I276-I338 HydrophobicContact CD1-CD1 3.71Å; I276-I338 HydrophobicContact CD1-CG1 4.18Å; I276-I338 HydrophobicContact CG1-CD1 3.86Å; I276-I338 HydrophobicContact CG2-CD1 3.92Å; I276-I338 HydrophobicContact CG2-CG2 4.37Å |
| 277 | R | 94.5 | Very high | 94.1 | Very high | 151 Ų | 151 | 55.4 Ų | 55.4 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.9 | 171.5 | -177.6 | -177.7 | -67.5 | 175.2 | -3.3 | 109 | I261 Q262 I279 | I261-R277 CarbonylContact C-O 3.52Å; I261-R277 WeakPolarHBondContact CA-O 3.21Å; Q262-R277 HydrophobicContact CB-CB 4.46Å; Q262-R277 PolarHBondContact N-O 3.22Å; Q262-R277 PolarHBondContact O-N 3.46Å; R277-I279 HydrophobicContact CG-CD1 4.35Å; R277-I279 HydrophobicContact CG-CG1 3.97Å |
| 278 | V | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.3 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | I259 F260 I261 I276 V280 C317 L323 V340 | I259-V278 HydrophobicContact CG2-CG1 3.97Å; F260-V278 CarbonylContact O-C 3.57Å; F260-V278 WeakPolarHBondContact O-CA 3.23Å; I261-V278 HydrophobicContact CG1-CG2 4.35Å; I261-V278 HydrophobicContact CG2-CG2 4.36Å; I276-V278 HydrophobicContact CG2-CG2 4.2Å; V278-V280 HydrophobicContact CG1-CG2 4.29Å; V278-C317 HydrophobicContact CB-CB 3.67Å; V278-C317 HydrophobicContact CG1-CB 3.82Å; V278-C317 PolarHBondContact O-N 3.33Å; V278-L323 HydrophobicContact CB-CD2 4.4Å; V278-L323 HydrophobicContact CG2-CD2 3.54Å; V278-V340 HydrophobicContact CG1-CB 4.47Å; V278-V340 HydrophobicContact CG1-CG1 3.85Å; V278-V340 HydrophobicContact CG1-CG2 4.07Å; V278-V340 HydrophobicContact CG2-CG2 3.76Å |
| 279 | I | 95.2 | Very high | 94 | Very high | 49 Ų | 49 | 56.3 Ų | 56.3 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.4 | 179.7 | -52.9 | 175.2 | 0 | 0 | 0 | 108.5 | I259 F260 R277 V281 G315 | I259-I279 CarbonylContact C-O 3.56Å; I259-I279 WeakPolarHBondContact CA-O 3.48Å; F260-I279 HydrophobicContact CB-CB 4.34Å; F260-I279 PolarHBondContact N-O 3.28Å; F260-I279 PolarHBondContact O-N 3.43Å; R277-I279 HydrophobicContact CG-CD1 4.35Å; R277-I279 HydrophobicContact CG-CG1 3.97Å; I279-V281 HydrophobicContact CG2-CG1 4.02Å; I279-G315 CarbonylContact C-O 3.6Å; I279-G315 VanDerWaalsContact CA-O 3.26Å; I279-G315 WeakPolarHBondContact CA-O 3.36Å |
| 280 | V | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.3 | 178.2 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | H257 S258 I259 V278 Y288 I312 G315 V342 | H257-V280 HydrophobicContact CB-CG1 4.14Å; S258-V280 WeakPolarHBondContact O-CA 3.5Å; I259-V280 HydrophobicContact CG1-CG1 4.24Å; I259-V280 HydrophobicContact CG1-CG2 4.31Å; I259-V280 HydrophobicContact CG2-CG2 4.38Å; V278-V280 HydrophobicContact CG1-CG2 4.29Å; V280-Y288 HydrophobicContact CB-CD1 4.25Å; V280-Y288 HydrophobicContact CG1-CD1 3.64Å; V280-Y288 HydrophobicContact CG1-CG 3.99Å; V280-Y288 WeakPolarHBondContact O-CB 3.43Å; V280-Y288 PolarHBondContact O-N 2.89Å; V280-I312 HydrophobicContact CB-CD1 4.29Å; V280-I312 HydrophobicContact CB-CG2 4.28Å; V280-I312 HydrophobicContact CG2-CD1 3.92Å; V280-I312 HydrophobicContact CG2-CG2 4.4Å; V280-G315 PolarHBondContact N-O 3.45Å; V280-G315 VanDerWaalsContact O-CA 3.29Å; V280-G315 WeakPolarHBondContact O-CA 3.18Å; V280-V342 HydrophobicContact CG1-CG1 4.42Å; V280-V342 HydrophobicContact CG2-CG2 4.11Å |
| 281 | V | 95.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149 | -178.4 | -59 | 0 | 0 | 0 | 0 | 111.8 | H257 S258 F260 I279 L285 K286 | H257-V281 CarbonylContact C-O 3.57Å; H257-V281 VanDerWaalsContact CA-O 3.3Å; H257-V281 WeakPolarHBondContact CA-O 3.1Å; H257-V281 WeakPolarHBondContact CB-O 3.11Å; S258-V281 PolarHBondContact N-O 3.44Å; S258-V281 PolarHBondContact O-N 3.29Å; F260-V281 HydrophobicContact CD2-CG2 4.4Å; F260-V281 HydrophobicContact CE2-CG2 3.68Å; I279-V281 HydrophobicContact CG2-CG1 4.02Å; V281-L285 HydrophobicContact CG2-CD2 4.23Å; V281-K286 CarbonylContact C-O 3.55Å; V281-K286 VanDerWaalsContact CA-O 3.23Å; V281-K286 WeakPolarHBondContact CA-O 3.44Å; V281-K286 WeakPolarHBondContact CB-O 3.45Å |
| 282 | T | 92.2 | Very high | 94 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | trans | -72.2 | 168.9 | 166.4 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | D284 L285 K286 Y288 | T282-D284 WeakPolarHBondContact CB-OD1 3.33Å; T282-D284 PolarHBondContact O-N 2.87Å; T282-D284 PolarHBondContact OG1-OD1 2.96Å; T282-L285 WeakPolarHBondContact O-CA 3.18Å; T282-L285 PolarHBondContact O-N 3.18Å; T282-K286 PolarHBondContact N-O 3.48Å; T282-K286 WeakPolarHBondContact OG1-CA 3.32Å; T282-K286 WeakPolarHBondContact OG1-CB 3.36Å; T282-K286 PolarHBondContact OG1-N 3.07Å; T282-K286 PolarHBondContact OG1-O 2.91Å; T282-Y288 HydrophobicContact CG2-CD2 4.44Å | ||
| 283 | P | 90.2 | Very high | 94.1 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.1 | -175.4 | -20.9 | 35.4 | 0 | 0 | 0 | 114.4 | R166 L169 S256 L285 | R166-P283 VanDerWaalsContact CZ-CB 3.5Å; L169-P283 HydrophobicContact CD1-CG 3.72Å; S256-P283 WeakPolarHBondContact O-CD 3.45Å; S256-P283 VanDerWaalsContact O-CG 3.32Å; S256-P283 WeakPolarHBondContact O-CG 3.48Å; P283-L285 PolarHBondContact O-N 3.43Å |
| 284 | D | 89.6 | Confident | 94.1 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 14.8 | 169 | 65.1 | -25.1 | 0 | 0 | 0 | 112.6 | T282 K286 | T282-D284 WeakPolarHBondContact CB-OD1 3.33Å; T282-D284 PolarHBondContact O-N 2.87Å; T282-D284 PolarHBondContact OG1-OD1 2.96Å; D284-K286 PolarHBondContact O-N 3.48Å; D284-K286 WeakPolarHBondContact OD2-CD 3.45Å; D284-K286 WeakPolarHBondContact OD2-CE 3.48Å; D284-K286 WeakPolarHBondContact OD2-CG 3.35Å; D284-K286 IonicContact OD2-NZ 2.74Å; D284-K286 PolarHBondContact OD2-NZ 2.99Å |
| 285 | L | 92.1 | Very high | 94.2 | Very high | 136 Ų | 136 | 52.7 Ų | 52.7 | 71% | 0.712 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 60.4 | 23 | 179.4 | -54.6 | 175.7 | 0 | 0 | 0 | 113.8 | V281 T282 P283 | V281-L285 HydrophobicContact CG2-CD2 4.23Å; T282-L285 WeakPolarHBondContact O-CA 3.18Å; T282-L285 PolarHBondContact O-N 3.18Å; P283-L285 PolarHBondContact O-N 3.43Å |
| 286 | K | 93.6 | Very high | 94.2 | Very high | 128 Ų | 128 | 49.4 Ų | 49.4 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 151.6 | 172.1 | -67.7 | -174.7 | -170.7 | 134.7 | 0 | 110.7 | V281 T282 D284 Y288 | V281-K286 CarbonylContact C-O 3.55Å; V281-K286 VanDerWaalsContact CA-O 3.23Å; V281-K286 WeakPolarHBondContact CA-O 3.44Å; V281-K286 WeakPolarHBondContact CB-O 3.45Å; T282-K286 PolarHBondContact N-O 3.48Å; T282-K286 WeakPolarHBondContact OG1-CA 3.32Å; T282-K286 WeakPolarHBondContact OG1-CB 3.36Å; T282-K286 PolarHBondContact OG1-N 3.07Å; T282-K286 PolarHBondContact OG1-O 2.91Å; D284-K286 PolarHBondContact O-N 3.48Å; D284-K286 WeakPolarHBondContact OD2-CD 3.45Å; D284-K286 WeakPolarHBondContact OD2-CE 3.48Å; D284-K286 WeakPolarHBondContact OD2-CG 3.35Å; D284-K286 IonicContact OD2-NZ 2.74Å; D284-K286 PolarHBondContact OD2-NZ 2.99Å; K286-Y288 PolarHBondContact O-N 3.1Å |
| 287 | P | 94.8 | Very high | 94.3 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 49% | 0.494 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 126.1 | 178.2 | 23 | -32.8 | 0 | 0 | 0 | 111.5 | S314 G315 | P287-S314 VanDerWaalsContact CB-O 3.32Å; P287-S314 WeakPolarHBondContact CB-O 3.49Å; P287-G315 VanDerWaalsContact CB-N 3.35Å |
| 288 | Y | 93.2 | Very high | 94.5 | Very high | 32 Ų | 32 | 43 Ų | 43 | 13% | 0.125 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 150.1 | 171 | -179.1 | -113.4 | 0 | 0 | 0 | 110.8 | H257 V280 T282 K286 I312 G315 V342 D343 | H257-Y288 AromaticContact CD2-CD2 3.22Å; H257-Y288 WeakPolarHBondContact CD2-CD2 3.35Å; H257-Y288 AromaticContact CD2-CE2 3.75Å; H257-Y288 AromaticContact CD2-CG 3.69Å; H257-Y288 AromaticContact CE1-CD2 3.78Å; H257-Y288 AromaticContact CE1-CE2 3.47Å; H257-Y288 VanDerWaalsContact CE1-CE2 3.47Å; H257-Y288 WeakPolarHBondContact CE1-CE2 3.34Å; H257-Y288 AromaticContact CG-CD2 3.96Å; H257-Y288 AromaticContact NE2-CD2 3.12Å; H257-Y288 WeakPolarHBondContact NE2-CD2 3.07Å; H257-Y288 AromaticContact NE2-CE2 3.26Å; H257-Y288 VanDerWaalsContact NE2-CE2 3.26Å; H257-Y288 WeakPolarHBondContact NE2-CE2 3.48Å; V280-Y288 HydrophobicContact CB-CD1 4.25Å; V280-Y288 HydrophobicContact CG1-CD1 3.64Å; V280-Y288 HydrophobicContact CG1-CG 3.99Å; V280-Y288 WeakPolarHBondContact O-CB 3.43Å; V280-Y288 PolarHBondContact O-N 2.89Å; T282-Y288 HydrophobicContact CG2-CD2 4.44Å; K286-Y288 PolarHBondContact O-N 3.1Å; Y288-I312 HydrophobicContact CD1-CD1 3.78Å; Y288-I312 HydrophobicContact CE1-CD1 3.97Å; Y288-I312 WeakPolarHBondContact O-CG2 3.35Å; Y288-G315 VanDerWaalsContact O-CA 3.27Å; Y288-G315 WeakPolarHBondContact O-CA 3.26Å; Y288-G315 PolarHBondContact O-N 3.2Å; Y288-V342 HydrophobicContact CD1-CG1 4.01Å; Y288-V342 HydrophobicContact CE1-CG1 3.45Å; Y288-V342 VanDerWaalsContact CE1-CG1 3.45Å; Y288-D343 PolarHBondContact OH-OD2 3.37Å |
| 289 | S | 92.8 | Very high | 94.5 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 57% | 0.573 | 26% | 0.259 | S | S | * | . | trans | -129.5 | 128.1 | 173.8 | -60.4 | 0 | 0 | 0 | 0 | 109.1 | I312 | S289-I312 WeakPolarHBondContact CA-O 3.46Š| ||
| 290 | G | 92.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | -153.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I312 | G290-I312 PolarHBondContact N-O 3.26Å; G290-I312 PolarHBondContact O-N 3.42Å |
| 291 | L | 94.4 | Very high | 94.5 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.4 | 178.6 | -61.4 | 175.7 | 0 | 0 | 0 | 110.3 | N309 M310 | L291-N309 HydrophobicContact CD1-CB 4.31Å; L291-M310 CarbonylContact C-O 3.48Å; L291-M310 WeakPolarHBondContact CA-O 3.47Å |
| 292 | A | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N309 M310 I312 C317 V340 S341 V342 | A292-N309 PolarHBondContact O-N 3.49Å; A292-M310 PolarHBondContact N-O 3.45Å; A292-M310 WeakPolarHBondContact O-CB 3.4Å; A292-M310 PolarHBondContact O-N 2.9Å; A292-I312 HydrophobicContact CB-CD1 3.98Å; A292-I312 HydrophobicContact CB-CG1 3.95Å; A292-C317 VanDerWaalsContact CB-SG 3.56Å; A292-V340 HydrophobicContact CB-CG1 4.32Å; A292-S341 CarbonylContact C-O 3.58Å; A292-S341 WeakPolarHBondContact CA-O 3.44Å; A292-V342 HydrophobicContact CB-CG2 3.83Å |
| 293 | N | 95.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.9 | 166.5 | -63.2 | -43.5 | 0 | 0 | 0 | 108.7 | H307 K308 N309 V340 S341 | N293-H307 CarbonylContact C-O 3.57Å; N293-H307 WeakPolarHBondContact CA-O 3.5Å; N293-K308 VanDerWaalsContact OD1-CA 3.25Å; N293-K308 WeakPolarHBondContact OD1-CA 3.5Å; N293-N309 PolarHBondContact OD1-N 3.29Å; N293-V340 CarbonylContact O-C 3.56Å; N293-V340 VanDerWaalsContact O-CA 3.3Å; N293-V340 WeakPolarHBondContact O-CA 3.47Å; N293-S341 PolarHBondContact N-O 3.29Å; N293-S341 PolarHBondContact O-N 3.48Å |
| 294 | V | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.4 | 179 | -174.4 | 0 | 0 | 0 | 0 | 109 | Q306 H307 L323 I338 A339 V340 | V294-Q306 CarbonylContact O-C 3.58Å; V294-Q306 WeakPolarHBondContact O-CA 3.48Å; V294-H307 HydrophobicContact CB-CB 4.38Å; V294-H307 PolarHBondContact N-O 3.44Å; V294-H307 PolarHBondContact O-N 2.92Å; V294-L323 HydrophobicContact CB-CD1 4.2Å; V294-L323 HydrophobicContact CG1-CD1 4.12Å; V294-L323 HydrophobicContact CG1-CD2 4.29Å; V294-L323 HydrophobicContact CG2-CD1 4.06Å; V294-L323 HydrophobicContact CG2-CD2 4.49Å; V294-I338 HydrophobicContact CG1-CG2 4.13Å; V294-A339 CarbonylContact C-O 3.54Å; V294-A339 WeakPolarHBondContact CA-O 3.28Å; V294-V340 HydrophobicContact CG1-CG2 4.16Å; V294-V340 HydrophobicContact CG2-CG1 4.41Å; V294-V340 HydrophobicContact CG2-CG2 4.1Å |
| 295 | T | 96.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 57.8 Ų | 57.8 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130.9 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | V303 Q306 A339 | T295-V303 HydrophobicContact CG2-CB 4.32Å; T295-V303 HydrophobicContact CG2-CG1 3.6Å; T295-V303 HydrophobicContact CG2-CG2 3.8Å; T295-Q306 PolarHBondContact OG1-NE2 3.23Å; T295-A339 PolarHBondContact N-O 3.42Å; T295-A339 PolarHBondContact O-N 3.23Å |
| 296 | I | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.6 | 177.4 | -53.6 | 176.5 | 0 | 0 | 0 | 107.7 | I276 I304 K305 L325 W336 K337 | I276-I296 HydrophobicContact CD1-CD1 3.45Å; I276-I296 VanDerWaalsContact CD1-CD1 3.45Å; I276-I296 HydrophobicContact CD1-CG1 4.25Å; I296-I304 PolarHBondContact O-N 3.49Å; I296-K305 HydrophobicContact CB-CB 4.28Å; I296-K305 HydrophobicContact CD1-CB 4.21Å; I296-K305 HydrophobicContact CG1-CB 4.49Å; I296-K305 PolarHBondContact N-O 3.46Å; I296-K305 PolarHBondContact O-N 3.02Å; I296-L325 HydrophobicContact CD1-CB 4.12Å; I296-L325 HydrophobicContact CD1-CD1 4.48Å; I296-L325 HydrophobicContact CG2-CD2 3.92Å; I296-W336 HydrophobicContact CG2-CE3 4.21Å; I296-K337 WeakPolarHBondContact CA-O 3.44Å |
| 297 | S | 97.9 | Very high | 95.6 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.6 | 179.6 | -58.2 | 0 | 0 | 0 | 0 | 112 | N302 W336 K337 | S297-N302 CarbonylContact C-O 3.56Å; S297-N302 WeakPolarHBondContact CA-O 3.37Å; S297-N302 WeakPolarHBondContact CB-O 3.33Å; S297-W336 WeakPolarHBondContact O-CA 3.48Å; S297-K337 PolarHBondContact N-O 2.88Å; S297-K337 PolarHBondContact O-N 2.82Å |
| 298 | D | 96.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.064 | 32% | 0.316 | C | S | . | . | trans | -73.9 | 174.2 | 172.3 | 79.1 | 1.2 | 0 | 0 | 0 | 111.5 | S300 G301 N302 I304 P332 W336 | D298-S300 PolarHBondContact O-N 3.38Å; D298-S300 VanDerWaalsContact O-N 3.14Å; D298-S300 WeakPolarHBondContact OD1-CA 3.47Å; D298-S300 WeakPolarHBondContact OD1-CB 3.4Å; D298-S300 PolarHBondContact OD1-N 2.8Å; D298-G301 PolarHBondContact O-N 3.39Å; D298-G301 PolarHBondContact OD1-N 3.38Å; D298-N302 PolarHBondContact N-O 2.96Å; D298-N302 WeakPolarHBondContact OD1-CB 3.3Å; D298-N302 PolarHBondContact OD1-N 3.17Å; D298-N302 PolarHBondContact OD1-ND2 3.45Å; D298-N302 PolarHBondContact OD2-ND2 3.17Å; D298-I304 HydrophobicContact CB-CD1 4.12Å; D298-I304 HydrophobicContact CB-CG1 3.88Å; D298-P332 HydrophobicContact CB-CG 4.47Å; D298-W336 HydrophobicContact CB-CD2 4.41Å; D298-W336 HydrophobicContact CB-CE3 4.33Å; D298-W336 HydrophobicContact CB-CH2 4.05Å; D298-W336 HydrophobicContact CB-CZ2 4.1Å; D298-W336 HydrophobicContact CB-CZ3 4.17Å | ||
| 299 | P | 96.9 | Very high | 95.6 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.7 | 178.7 | -21.6 | 33.1 | 0 | 0 | 0 | 114.6 | G301 P332 N335 | P299-G301 VanDerWaalsContact C-N 3.32Å; P299-P332 HydrophobicContact CG-CB 4.37Å; P299-N335 VanDerWaalsContact CA-O 3.26Å; P299-N335 WeakPolarHBondContact CA-O 3.29Å; P299-N335 WeakPolarHBondContact CB-O 3.42Å; P299-N335 WeakPolarHBondContact CG-O 3.47Å |
| 300 | S | 96.5 | Very high | 95.5 | Very high | 95 Ų | 95 | 55.5 Ų | 55.5 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.7 | 175.2 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | D298 N302 | D298-S300 PolarHBondContact O-N 3.38Å; D298-S300 VanDerWaalsContact O-N 3.14Å; D298-S300 WeakPolarHBondContact OD1-CA 3.47Å; D298-S300 WeakPolarHBondContact OD1-CB 3.4Å; D298-S300 PolarHBondContact OD1-N 2.8Å; S300-N302 VanDerWaalsContact C-N 3.35Å |
| 301 | G | 95.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 57.2 Ų | 57.2 | 54% | 0.536 | 32% | 0.321 | S | S | . | . | trans | 82.8 | 6.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D298 P299 | D298-G301 PolarHBondContact O-N 3.39Å; D298-G301 PolarHBondContact OD1-N 3.38Å; P299-G301 VanDerWaalsContact C-N 3.32Å | ||
| 302 | N | 97.5 | Very high | 95.6 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | trans | -73.8 | 130.2 | 176.8 | -55 | -57.2 | 0 | 0 | 0 | 109.8 | S297 D298 S300 I304 | S297-N302 CarbonylContact C-O 3.56Å; S297-N302 WeakPolarHBondContact CA-O 3.37Å; S297-N302 WeakPolarHBondContact CB-O 3.33Å; D298-N302 PolarHBondContact N-O 2.96Å; D298-N302 WeakPolarHBondContact OD1-CB 3.3Å; D298-N302 PolarHBondContact OD1-N 3.17Å; D298-N302 PolarHBondContact OD1-ND2 3.45Å; D298-N302 PolarHBondContact OD2-ND2 3.17Å; S300-N302 VanDerWaalsContact C-N 3.35Å; N302-I304 HydrophobicContact CB-CD1 4.28Å; N302-I304 PolarHBondContact O-N 2.96Å | ||
| 303 | V | 97.2 | Very high | 95.4 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 111.9 | 175.9 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | T295 Q306 | T295-V303 HydrophobicContact CG2-CB 4.32Å; T295-V303 HydrophobicContact CG2-CG1 3.6Å; T295-V303 HydrophobicContact CG2-CG2 3.8Å; V303-Q306 HydrophobicContact CG1-CB 4.18Å |
| 304 | I | 95.7 | Very high | 95.2 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -35.7 | -178.8 | -56.7 | -52.8 | 0 | 0 | 0 | 111.3 | I296 D298 N302 L325 W336 | I296-I304 PolarHBondContact O-N 3.49Å; D298-I304 HydrophobicContact CB-CD1 4.12Å; D298-I304 HydrophobicContact CB-CG1 3.88Å; N302-I304 HydrophobicContact CB-CD1 4.28Å; N302-I304 PolarHBondContact O-N 2.96Å; I304-L325 HydrophobicContact CG2-CD1 4.15Å; I304-W336 HydrophobicContact CB-CZ3 4.04Å; I304-W336 HydrophobicContact CG1-CH2 3.97Å; I304-W336 HydrophobicContact CG1-CZ3 3.61Å; I304-W336 HydrophobicContact CG2-CH2 4.5Å; I304-W336 HydrophobicContact CG2-CZ3 4.14Å |
| 305 | K | 94.9 | Very high | 95.1 | Very high | 70 Ų | 70 | 59.5 Ų | 59.5 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 138.4 | 178.9 | -160.8 | 173.1 | -170.8 | -171.9 | 0 | 110.8 | I296 H307 K324 L325 | I296-K305 HydrophobicContact CB-CB 4.28Å; I296-K305 HydrophobicContact CD1-CB 4.21Å; I296-K305 HydrophobicContact CG1-CB 4.49Å; I296-K305 PolarHBondContact N-O 3.46Å; I296-K305 PolarHBondContact O-N 3.02Å; K305-H307 WeakPolarHBondContact CE-NE2 3.48Å; K305-K324 PolarHBondContact NZ-O 2.88Å; K305-L325 HydrophobicContact CB-CD1 4.29Å; K305-L325 HydrophobicContact CD-CD1 4.34Å |
| 306 | Q | 95.2 | Very high | 94.9 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 130.6 | 177 | -171.4 | 172.8 | 57.6 | 0 | 0 | 110.5 | V294 T295 V303 K308 | V294-Q306 CarbonylContact O-C 3.58Å; V294-Q306 WeakPolarHBondContact O-CA 3.48Å; T295-Q306 PolarHBondContact OG1-NE2 3.23Å; V303-Q306 HydrophobicContact CG1-CB 4.18Å; Q306-K308 HydrophobicContact CG-CG 4.27Å |
| 307 | H | 94.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 62.7 Ų | 62.7 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.5 | 171.4 | -63.3 | -97.2 | 0 | 0 | 0 | 108.4 | N293 V294 K305 M310 S322 | N293-H307 CarbonylContact C-O 3.57Å; N293-H307 WeakPolarHBondContact CA-O 3.5Å; V294-H307 HydrophobicContact CB-CB 4.38Å; V294-H307 PolarHBondContact N-O 3.44Å; V294-H307 PolarHBondContact O-N 2.92Å; K305-H307 WeakPolarHBondContact CE-NE2 3.48Å; H307-M310 HydrophobicContact CB-CE 3.37Å; H307-M310 VanDerWaalsContact CG-CE 3.44Å; H307-M310 WeakPolarHBondContact ND1-CE 3.45Å; H307-S322 PolarHBondContact CE1-O 3.02Å |
| 308 | K | 94.1 | Very high | 94.1 | Very high | 142 Ų | 142 | 62.2 Ų | 62.2 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 145 | 178.3 | -62.9 | -174.9 | -178.9 | -178.9 | 0 | 110.5 | N293 Q306 M310 | N293-K308 VanDerWaalsContact OD1-CA 3.25Å; N293-K308 WeakPolarHBondContact OD1-CA 3.5Å; Q306-K308 HydrophobicContact CG-CG 4.27Å; K308-M310 PolarHBondContact O-N 2.91Å |
| 309 | N | 93.4 | Very high | 93.2 | Very high | 108 Ų | 108 | 68.2 Ų | 68.2 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 43.3 | 175.7 | -59 | -31.5 | 0 | 0 | 0 | 113.1 | L291 A292 N293 | L291-N309 HydrophobicContact CD1-CB 4.31Å; A292-N309 PolarHBondContact O-N 3.49Å; N293-N309 PolarHBondContact OD1-N 3.29Å |
| 310 | M | 92.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 128.9 | 175.9 | -169.4 | 173.9 | -57.5 | 0 | 0 | 109.3 | L291 A292 H307 K308 I312 C317 G318 L323 | L291-M310 CarbonylContact C-O 3.48Å; L291-M310 WeakPolarHBondContact CA-O 3.47Å; A292-M310 PolarHBondContact N-O 3.45Å; A292-M310 WeakPolarHBondContact O-CB 3.4Å; A292-M310 PolarHBondContact O-N 2.9Å; H307-M310 HydrophobicContact CB-CE 3.37Å; H307-M310 VanDerWaalsContact CG-CE 3.44Å; H307-M310 WeakPolarHBondContact ND1-CE 3.45Å; K308-M310 PolarHBondContact O-N 2.91Å; M310-I312 PolarHBondContact O-N 2.91Å; M310-C317 PolarHBondContact SD-SG 3.5Å; M310-G318 WeakPolarHBondContact SD-CA 3.27Å; M310-L323 HydrophobicContact CE-CD1 3.5Å; M310-L323 HydrophobicContact SD-CD1 3.97Å |
| 311 | P | 94.1 | Very high | 90.5 | Very high | 61 Ų | 61 | 71 Ų | 71 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.1 | 177 | 27.5 | -33.9 | 0 | 0 | 0 | 110.9 | G318 | P311-G318 PolarHBondContact O-N 3.27Å |
| 312 | I | 94.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.8 | 168 | -51.7 | 165.2 | 0 | 0 | 0 | 106.6 | V280 Y288 S289 G290 A292 M310 I316 V342 | V280-I312 HydrophobicContact CB-CD1 4.29Å; V280-I312 HydrophobicContact CB-CG2 4.28Å; V280-I312 HydrophobicContact CG2-CD1 3.92Å; V280-I312 HydrophobicContact CG2-CG2 4.4Å; Y288-I312 HydrophobicContact CD1-CD1 3.78Å; Y288-I312 HydrophobicContact CE1-CD1 3.97Å; Y288-I312 WeakPolarHBondContact O-CG2 3.35Å; S289-I312 WeakPolarHBondContact CA-O 3.46Å; G290-I312 PolarHBondContact N-O 3.26Å; G290-I312 PolarHBondContact O-N 3.42Å; A292-I312 HydrophobicContact CB-CD1 3.98Å; A292-I312 HydrophobicContact CB-CG1 3.95Å; M310-I312 PolarHBondContact O-N 2.91Å; I312-I316 WeakPolarHBondContact CA-O 3.5Å; I312-V342 HydrophobicContact CD1-CG1 3.81Å; I312-V342 HydrophobicContact CD1-CG2 3.96Å |
| 313 | E | 91.7 | Very high | 89.3 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.6 | 177.7 | -69.6 | -175.1 | -151.5 | 0 | 0 | 109.3 | G315 I316 K319 | E313-G315 PolarHBondContact O-N 2.82Å; E313-G315 VanDerWaalsContact O-N 3.12Å; E313-I316 PolarHBondContact N-O 3.21Å; E313-I316 PolarHBondContact O-N 2.75Å; E313-K319 WeakPolarHBondContact OE1-CE 3.33Å; E313-K319 IonicContact OE1-NZ 3.7Å; E313-K319 PolarHBondContact OE1-NZ 2.95Å; E313-K319 WeakPolarHBondContact OE2-CE 3.26Å; E313-K319 IonicContact OE2-NZ 3.41Å; E313-K319 PolarHBondContact OE2-NZ 2.89Å |
| 314 | S | 91.7 | Very high | 89.1 | Confident | 97 Ų | 97 | 65.7 Ų | 65.7 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 35.8 | -177.2 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | P287 I316 | P287-S314 VanDerWaalsContact CB-O 3.32Å; P287-S314 WeakPolarHBondContact CB-O 3.49Å; S314-I316 PolarHBondContact O-N 3.42Å |
| 315 | G | 92.6 | Very high | 89 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 1.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | I279 V280 P287 Y288 E313 | I279-G315 CarbonylContact C-O 3.6Å; I279-G315 VanDerWaalsContact CA-O 3.26Å; I279-G315 WeakPolarHBondContact CA-O 3.36Å; V280-G315 PolarHBondContact N-O 3.45Å; V280-G315 VanDerWaalsContact O-CA 3.29Å; V280-G315 WeakPolarHBondContact O-CA 3.18Å; P287-G315 VanDerWaalsContact CB-N 3.35Å; Y288-G315 VanDerWaalsContact O-CA 3.27Å; Y288-G315 WeakPolarHBondContact O-CA 3.26Å; Y288-G315 PolarHBondContact O-N 3.2Å; E313-G315 PolarHBondContact O-N 2.82Å; E313-G315 VanDerWaalsContact O-N 3.12Å |
| 316 | I | 93.6 | Very high | 89 | Confident | 88 Ų | 88 | 63 Ų | 63 | 45% | 0.451 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.8 | 178.5 | -57.9 | 175.2 | 0 | 0 | 0 | 108.9 | I312 E313 S314 G318 | I312-I316 WeakPolarHBondContact CA-O 3.5Å; E313-I316 PolarHBondContact N-O 3.21Å; E313-I316 PolarHBondContact O-N 2.75Å; S314-I316 PolarHBondContact O-N 3.42Å; I316-G318 PolarHBondContact O-N 3.47Å |
| 317 | C | 93 | Very high | 89 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 121 | 176 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | V278 A292 M310 | V278-C317 HydrophobicContact CB-CB 3.67Å; V278-C317 HydrophobicContact CG1-CB 3.82Å; V278-C317 PolarHBondContact O-N 3.33Å; A292-C317 VanDerWaalsContact CB-SG 3.56Å; M310-C317 PolarHBondContact SD-SG 3.5Å |
| 318 | G | 84.5 | Confident | 89.1 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 11% | 0.113 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 77.6 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M310 P311 I316 S322 | M310-G318 WeakPolarHBondContact SD-CA 3.27Å; P311-G318 PolarHBondContact O-N 3.27Å; I316-G318 PolarHBondContact O-N 3.47Å; G318-S322 WeakPolarHBondContact CA-OG 3.47Å |
| 319 | K | 77.6 | Confident | 89 | Confident | 138 Ų | 138 | 60 Ų | 60 | 60% | 0.6 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -118.8 | 133.5 | 179.7 | -76 | -173.2 | 175.7 | 168 | 0 | 110.4 | E313 S322 | E313-K319 WeakPolarHBondContact OE1-CE 3.33Å; E313-K319 IonicContact OE1-NZ 3.7Å; E313-K319 PolarHBondContact OE1-NZ 2.95Å; E313-K319 WeakPolarHBondContact OE2-CE 3.26Å; E313-K319 IonicContact OE2-NZ 3.41Å; E313-K319 PolarHBondContact OE2-NZ 2.89Å; K319-S322 PolarHBondContact N-OG 3.43Å; K319-S322 WeakPolarHBondContact O-CB 3.35Å; K319-S322 PolarHBondContact O-N 2.99Å; K319-S322 PolarHBondContact O-OG 2.88Å |
| 320 | G | 69.5 | Low | 89 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 83% | 0.825 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -133.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S322 | G320-S322 PolarHBondContact O-N 3.43Š|
| 321 | D | 68 | Low | 89.1 | Confident | 127 Ų | 127 | 62.8 Ų | 62.8 | 68% | 0.679 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 26.5 | -178.7 | -69.4 | -26.3 | 0 | 0 | 0 | 113.7 | L323 | D321-L323 PolarHBondContact O-N 2.95Å; D321-L323 VanDerWaalsContact O-N 3.12Å |
| 322 | S | 76.7 | Confident | 89.1 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | trans | -60.8 | -25.5 | -177.6 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | H307 G318 K319 G320 | H307-S322 PolarHBondContact CE1-O 3.02Å; G318-S322 WeakPolarHBondContact CA-OG 3.47Å; K319-S322 PolarHBondContact N-OG 3.43Å; K319-S322 WeakPolarHBondContact O-CB 3.35Å; K319-S322 PolarHBondContact O-N 2.99Å; K319-S322 PolarHBondContact O-OG 2.88Å; G320-S322 PolarHBondContact O-N 3.43Å | ||
| 323 | L | 90 | Very high | 89.2 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -108.6 | 62.2 | -177 | -137.8 | 75.4 | 0 | 0 | 0 | 111.9 | I276 V278 V294 M310 D321 | I276-L323 HydrophobicContact CB-CB 4.26Å; I276-L323 HydrophobicContact CB-CD2 3.68Å; I276-L323 HydrophobicContact CB-CG 3.99Å; I276-L323 HydrophobicContact CG2-CD2 3.49Å; I276-L323 VanDerWaalsContact CG2-CD2 3.49Å; I276-L323 HydrophobicContact CG2-CG 4.31Å; I276-L323 PolarHBondContact N-O 3.43Å; V278-L323 HydrophobicContact CB-CD2 4.4Å; V278-L323 HydrophobicContact CG2-CD2 3.54Å; V294-L323 HydrophobicContact CB-CD1 4.2Å; V294-L323 HydrophobicContact CG1-CD1 4.12Å; V294-L323 HydrophobicContact CG1-CD2 4.29Å; V294-L323 HydrophobicContact CG2-CD1 4.06Å; V294-L323 HydrophobicContact CG2-CD2 4.49Å; M310-L323 HydrophobicContact CE-CD1 3.5Å; M310-L323 HydrophobicContact SD-CD1 3.97Å; D321-L323 PolarHBondContact O-N 2.95Å; D321-L323 VanDerWaalsContact O-N 3.12Å |
| 324 | K | 93.3 | Very high | 89.4 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 27% | 0.274 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.5 | 175.7 | 178.7 | 179.9 | 174.4 | 169.6 | 0 | 111.3 | D273 V274 K305 | D273-K324 WeakPolarHBondContact OD1-CE 3.41Å; D273-K324 IonicContact OD1-NZ 2.7Å; D273-K324 WeakPolarHBondContact OD2-CE 3.35Å; D273-K324 IonicContact OD2-NZ 3.02Å; D273-K324 PolarHBondContact OD2-NZ 3.44Å; V274-K324 WeakPolarHBondContact O-CA 3.37Å; K305-K324 PolarHBondContact NZ-O 2.88Å |
| 325 | L | 94.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.9 | 169 | 175.8 | 80.1 | 0 | 0 | 0 | 109.4 | V274 I296 I304 K305 L327 W336 F351 | V274-L325 HydrophobicContact CB-CB 4.22Å; V274-L325 PolarHBondContact N-O 2.9Å; V274-L325 PolarHBondContact O-N 3.25Å; I296-L325 HydrophobicContact CD1-CB 4.12Å; I296-L325 HydrophobicContact CD1-CD1 4.48Å; I296-L325 HydrophobicContact CG2-CD2 3.92Å; I304-L325 HydrophobicContact CG2-CD1 4.15Å; K305-L325 HydrophobicContact CB-CD1 4.29Å; K305-L325 HydrophobicContact CD-CD1 4.34Å; L325-L327 HydrophobicContact CD2-CD2 3.84Å; L325-L327 HydrophobicContact CG-CD2 4.44Å; L325-W336 HydrophobicContact CD2-CE3 4.06Å; L325-W336 HydrophobicContact CD2-CZ3 3.95Å; L325-F351 HydrophobicContact CD2-CZ 3.96Å |
| 326 | T | 95.1 | Very high | 89.9 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.7 | 172.3 | -61.7 | 0 | 0 | 0 | 0 | 108.8 | D273 | D273-T326 WeakPolarHBondContact OD1-CA 3.4Å; D273-T326 VanDerWaalsContact OD1-CB 3.31Å; D273-T326 WeakPolarHBondContact OD1-CB 3.39Å; D273-T326 WeakPolarHBondContact OD1-CG2 3.22Å; D273-T326 PolarHBondContact OD1-OG1 2.89Å |
| 327 | L | 95.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | trans | -71.4 | 142.4 | 174.9 | -61.4 | 174 | 0 | 0 | 0 | 109.7 | G271 S272 V274 L325 P331 W336 V353 | G271-L327 WeakPolarHBondContact CA-O 3.3Å; S272-L327 WeakPolarHBondContact O-CB 3.48Å; S272-L327 WeakPolarHBondContact O-CG 3.48Å; S272-L327 PolarHBondContact O-N 3.42Å; V274-L327 HydrophobicContact CG2-CD1 3.95Å; V274-L327 HydrophobicContact CG2-CD2 4.43Å; V274-L327 HydrophobicContact CG2-CG 4.02Å; L325-L327 HydrophobicContact CD2-CD2 3.84Å; L325-L327 HydrophobicContact CG-CD2 4.44Å; L327-P331 HydrophobicContact CB-CB 4.47Å; L327-P331 HydrophobicContact CB-CG 4.37Å; L327-W336 HydrophobicContact CD2-CH2 4.07Å; L327-W336 HydrophobicContact CD2-CZ2 4.08Å; L327-W336 HydrophobicContact CD2-CZ3 4.33Å; L327-V353 HydrophobicContact CD1-CG1 4.02Å; L327-V353 HydrophobicContact CD1-CG2 3.72Å; L327-V353 HydrophobicContact CD2-CG2 4.26Å | ||
| 328 | T | 94.5 | Very high | 90.3 | Very high | 89 Ų | 89 | 63.2 Ų | 63.2 | 55% | 0.546 | 36% | 0.364 | S | S | . | . | trans | -67 | 169.9 | 172.6 | 56 | 0 | 0 | 0 | 0 | 110.9 | G271 E330 P331 | G271-T328 PolarHBondContact N-O 3.39Å; T328-E330 PolarHBondContact O-N 2.88Å; T328-E330 PolarHBondContact OG1-O 2.96Å; T328-P331 VanDerWaalsContact O-CD 3.25Å; T328-P331 WeakPolarHBondContact O-CD 3.47Å; T328-P331 WeakPolarHBondContact OG1-CA 3.44Å | ||
| 329 | T | 93 | Very high | 90.9 | Very high | 122 Ų | 122 | 64.3 Ų | 64.3 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -67.7 | -21.7 | 175.3 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | P270 | P270-T329 VanDerWaalsContact CB-O 3.3Å; P270-T329 WeakPolarHBondContact CB-O 3.24Å |
| 330 | E | 93.4 | Very high | 91.9 | Very high | 175 Ų | 175 | 57.9 Ų | 57.9 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -134.4 | 68.7 | 176.4 | -64.6 | -177.5 | 175.2 | 0 | 0 | 109.7 | T328 | T328-E330 PolarHBondContact O-N 2.88Å; T328-E330 PolarHBondContact OG1-O 2.96Å |
| 331 | P | 94.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 154.8 | 177.4 | 34.4 | -29.8 | 0 | 0 | 0 | 109.9 | P270 L327 T328 L333 W336 V353 | P270-P331 HydrophobicContact CB-CG 4.01Å; P270-P331 HydrophobicContact CG-CG 4.09Å; L327-P331 HydrophobicContact CB-CB 4.47Å; L327-P331 HydrophobicContact CB-CG 4.37Å; T328-P331 VanDerWaalsContact O-CD 3.25Å; T328-P331 WeakPolarHBondContact O-CD 3.47Å; T328-P331 WeakPolarHBondContact OG1-CA 3.44Å; P331-L333 PolarHBondContact O-N 3.39Å; P331-W336 HydrophobicContact CB-CZ2 4.11Å; P331-V353 HydrophobicContact CB-CG1 4.49Å; P331-V353 HydrophobicContact CG-CG1 3.81Å |
| 332 | P | 95.5 | Very high | 94.3 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 38% | 0.377 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 124.2 | 165.2 | -27.9 | 35.4 | 0 | 0 | 0 | 111.4 | D298 P299 W336 | D298-P332 HydrophobicContact CB-CG 4.47Å; P299-P332 HydrophobicContact CG-CB 4.37Å; P332-W336 PolarHBondContact O-NE1 2.88Å |
| 333 | L | 95.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 51.4 Ų | 51.4 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 146.5 | 176 | -55 | -179.3 | 0 | 0 | 0 | 110.1 | P270 P331 V353 K355 | P270-L333 HydrophobicContact CG-CD2 4.24Å; P331-L333 PolarHBondContact O-N 3.39Å; L333-V353 WeakPolarHBondContact CA-O 3.42Å; L333-V353 HydrophobicContact CD2-CG1 4.23Å; L333-K355 HydrophobicContact CD1-CD 4.44Å; L333-K355 HydrophobicContact CD1-CG 4.01Å |
| 334 | G | 95.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.7 | -162.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | V353 | G334-V353 PolarHBondContact N-O 3.33Å; G334-V353 PolarHBondContact O-N 3.01Å |
| 335 | N | 97.2 | Very high | 94.2 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.7 | -178.1 | -66.9 | -3.3 | 0 | 0 | 0 | 110.7 | P299 E350 | P299-N335 VanDerWaalsContact CA-O 3.26Å; P299-N335 WeakPolarHBondContact CA-O 3.29Å; P299-N335 WeakPolarHBondContact CB-O 3.42Å; P299-N335 WeakPolarHBondContact CG-O 3.47Å; N335-E350 PolarHBondContact ND2-OE2 2.76Å |
| 336 | W | 97.5 | Very high | 94.1 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 4% | 0.038 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 145.9 | 171.9 | -72.9 | 60.5 | 0 | 0 | 0 | 109.2 | I296 S297 D298 I304 L325 L327 P331 P332 E350 F351 V353 | I296-W336 HydrophobicContact CG2-CE3 4.21Å; S297-W336 WeakPolarHBondContact O-CA 3.48Å; D298-W336 HydrophobicContact CB-CD2 4.41Å; D298-W336 HydrophobicContact CB-CE3 4.33Å; D298-W336 HydrophobicContact CB-CH2 4.05Å; D298-W336 HydrophobicContact CB-CZ2 4.1Å; D298-W336 HydrophobicContact CB-CZ3 4.17Å; I304-W336 HydrophobicContact CB-CZ3 4.04Å; I304-W336 HydrophobicContact CG1-CH2 3.97Å; I304-W336 HydrophobicContact CG1-CZ3 3.61Å; I304-W336 HydrophobicContact CG2-CH2 4.5Å; I304-W336 HydrophobicContact CG2-CZ3 4.14Å; L325-W336 HydrophobicContact CD2-CE3 4.06Å; L325-W336 HydrophobicContact CD2-CZ3 3.95Å; L327-W336 HydrophobicContact CD2-CH2 4.07Å; L327-W336 HydrophobicContact CD2-CZ2 4.08Å; L327-W336 HydrophobicContact CD2-CZ3 4.33Å; P331-W336 HydrophobicContact CB-CZ2 4.11Å; P332-W336 PolarHBondContact O-NE1 2.88Å; W336-E350 CarbonylContact O-C 3.53Å; W336-E350 WeakPolarHBondContact O-CA 3.29Å; W336-F351 HydrophobicContact CB-CD1 3.96Å; W336-F351 HydrophobicContact CB-CD2 4.03Å; W336-F351 HydrophobicContact CB-CE1 3.5Å; W336-F351 VanDerWaalsContact CB-CE1 3.5Å; W336-F351 HydrophobicContact CB-CE2 3.58Å; W336-F351 HydrophobicContact CB-CG 4.22Å; W336-F351 HydrophobicContact CB-CZ 3.29Å; W336-F351 HydrophobicContact CD2-CE2 4.29Å; W336-F351 HydrophobicContact CD2-CZ 4.06Å; W336-F351 HydrophobicContact CE3-CZ 4.09Å; W336-F351 HydrophobicContact CG-CE1 4.44Å; W336-F351 AromaticContact CG-CE2 3.8Å; W336-F351 HydrophobicContact CG-CE2 3.8Å; W336-F351 AromaticContact CG-CZ 3.77Å; W336-F351 HydrophobicContact CG-CZ 3.77Å; W336-F351 PolarHBondContact N-O 3.39Å; W336-F351 PolarHBondContact O-N 3.22Å; W336-V353 HydrophobicContact CD2-CG2 4.39Å; W336-V353 HydrophobicContact CG-CG2 4.02Å |
| 337 | K | 98 | Very high | 94.2 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.9 | -175.8 | -173 | 175.2 | -178.2 | 175.9 | 0 | 111 | I296 S297 F348 | I296-K337 WeakPolarHBondContact CA-O 3.44Å; S297-K337 PolarHBondContact N-O 2.88Å; S297-K337 PolarHBondContact O-N 2.82Å; K337-F348 VanDerWaalsContact CE-CB 3.49Å; K337-F348 HydrophobicContact CG-CB 4.45Å |
| 338 | I | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.5 | 170.4 | -55.6 | 164.6 | 0 | 0 | 0 | 106.9 | I261 T263 I276 V294 V340 F348 E349 F351 | I261-I338 HydrophobicContact CG2-CB 4.17Å; I261-I338 HydrophobicContact CG2-CD1 4.28Å; I261-I338 HydrophobicContact CG2-CG2 3.85Å; T263-I338 HydrophobicContact CG2-CD1 3.64Å; I276-I338 HydrophobicContact CD1-CD1 3.71Å; I276-I338 HydrophobicContact CD1-CG1 4.18Å; I276-I338 HydrophobicContact CG1-CD1 3.86Å; I276-I338 HydrophobicContact CG2-CD1 3.92Å; I276-I338 HydrophobicContact CG2-CG2 4.37Å; V294-I338 HydrophobicContact CG1-CG2 4.13Å; I338-V340 HydrophobicContact CG2-CG2 4.34Å; I338-F348 CarbonylContact O-C 3.57Å; I338-F348 WeakPolarHBondContact O-CA 3.44Å; I338-E349 PolarHBondContact N-O 3.25Å; I338-E349 PolarHBondContact O-N 3.46Å; I338-F351 HydrophobicContact CD1-CD1 3.64Å; I338-F351 HydrophobicContact CD1-CE1 3.78Å; I338-F351 HydrophobicContact CG1-CD1 3.93Å; I338-F351 HydrophobicContact CG1-CE1 3.74Å |
| 339 | A | 97.6 | Very high | 94.4 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 28% | 0.281 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V294 T295 | V294-A339 CarbonylContact C-O 3.54Å; V294-A339 WeakPolarHBondContact CA-O 3.28Å; T295-A339 PolarHBondContact N-O 3.42Å; T295-A339 PolarHBondContact O-N 3.23Å |
| 340 | V | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.6 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | I259 I261 V278 A292 N293 V294 I338 V342 E346 A347 | I259-V340 HydrophobicContact CG2-CB 4.05Å; I259-V340 HydrophobicContact CG2-CG1 3.9Å; I261-V340 HydrophobicContact CD1-CB 3.94Å; I261-V340 HydrophobicContact CD1-CG2 3.56Å; I261-V340 HydrophobicContact CG1-CB 4.34Å; I261-V340 HydrophobicContact CG1-CG2 3.78Å; V278-V340 HydrophobicContact CG1-CB 4.47Å; V278-V340 HydrophobicContact CG1-CG1 3.85Å; V278-V340 HydrophobicContact CG1-CG2 4.07Å; V278-V340 HydrophobicContact CG2-CG2 3.76Å; A292-V340 HydrophobicContact CB-CG1 4.32Å; N293-V340 CarbonylContact O-C 3.56Å; N293-V340 VanDerWaalsContact O-CA 3.3Å; N293-V340 WeakPolarHBondContact O-CA 3.47Å; V294-V340 HydrophobicContact CG1-CG2 4.16Å; V294-V340 HydrophobicContact CG2-CG1 4.41Å; V294-V340 HydrophobicContact CG2-CG2 4.1Å; I338-V340 HydrophobicContact CG2-CG2 4.34Å; V340-V342 HydrophobicContact CG1-CG2 4.09Å; V340-E346 WeakPolarHBondContact O-CA 3.37Å; V340-A347 PolarHBondContact N-O 3.48Å; V340-A347 PolarHBondContact O-N 2.88Å |
| 341 | S | 95.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.8 | 174.3 | 170.2 | 0 | 0 | 0 | 0 | 109.5 | A292 N293 E345 | A292-S341 CarbonylContact C-O 3.58Å; A292-S341 WeakPolarHBondContact CA-O 3.44Å; N293-S341 PolarHBondContact N-O 3.29Å; N293-S341 PolarHBondContact O-N 3.48Å; S341-E345 WeakPolarHBondContact CA-O 3.41Å |
| 342 | V | 93.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 118.2 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | I259 V280 Y288 A292 I312 V340 E344 E345 | I259-V342 HydrophobicContact CD1-CB 3.94Å; I259-V342 HydrophobicContact CD1-CG2 3.76Å; I259-V342 HydrophobicContact CG1-CB 4.45Å; I259-V342 HydrophobicContact CG1-CG2 4.11Å; V280-V342 HydrophobicContact CG1-CG1 4.42Å; V280-V342 HydrophobicContact CG2-CG2 4.11Å; Y288-V342 HydrophobicContact CD1-CG1 4.01Å; Y288-V342 HydrophobicContact CE1-CG1 3.45Å; Y288-V342 VanDerWaalsContact CE1-CG1 3.45Å; A292-V342 HydrophobicContact CB-CG2 3.83Å; I312-V342 HydrophobicContact CD1-CG1 3.81Å; I312-V342 HydrophobicContact CD1-CG2 3.96Å; V340-V342 HydrophobicContact CG1-CG2 4.09Å; V342-E344 PolarHBondContact O-N 3.37Å; V342-E344 VanDerWaalsContact O-N 3.15Å; V342-E345 PolarHBondContact N-O 3.08Å; V342-E345 PolarHBondContact O-N 3.44Å |
| 343 | D | 87 | Confident | 94.9 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -114.5 | -170.8 | -53.5 | -47.2 | 0 | 0 | 0 | 111.7 | Y288 | Y288-D343 PolarHBondContact OH-OD2 3.37Š|
| 344 | E | 82.4 | Confident | 94.7 | Very high | 112 Ų | 112 | 53 Ų | 53 | 52% | 0.523 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 2.8 | 178.4 | -64.5 | 176.4 | 175.8 | 0 | 0 | 112.7 | H254 V342 | H254-E344 IonicContact NE2-OE2 3.09Å; V342-E344 PolarHBondContact O-N 3.37Å; V342-E344 VanDerWaalsContact O-N 3.15Å |
| 345 | E | 88.3 | Confident | 94.3 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.9 | -178.2 | -65.7 | -70.1 | 149.5 | 0 | 0 | 110.7 | H254 K255 I259 S341 V342 | H254-E345 IonicContact CE1-OE1 3.5Å; H254-E345 PolarHBondContact CE1-OE1 3.21Å; H254-E345 IonicContact CG-OE1 2.77Å; H254-E345 IonicContact ND1-OE1 3.78Å; H254-E345 PolarHBondContact ND1-OE1 3.12Å; K255-E345 VanDerWaalsContact CA-OE1 3.29Å; K255-E345 WeakPolarHBondContact CA-OE1 3.46Å; I259-E345 HydrophobicContact CD1-CB 4.37Å; S341-E345 WeakPolarHBondContact CA-O 3.41Å; V342-E345 PolarHBondContact N-O 3.08Å; V342-E345 PolarHBondContact O-N 3.44Å |
| 346 | E | 93.5 | Very high | 93.2 | Very high | 153 Ų | 153 | 60.4 Ų | 60.4 | 72% | 0.715 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.7 | 174.4 | -61.8 | -165.7 | 158.3 | 0 | 0 | 110.6 | V340 | V340-E346 WeakPolarHBondContact O-CA 3.37Å |
| 347 | A | 96.2 | Very high | 91.9 | Very high | 23 Ų | 23 | 64.6 Ų | 64.6 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I259 I261 V340 | I259-A347 HydrophobicContact CB-CB 3.71Å; I259-A347 HydrophobicContact CD1-CB 4.19Å; I259-A347 HydrophobicContact CG2-CB 3.95Å; I261-A347 HydrophobicContact CD1-CB 4.07Å; I261-A347 WeakPolarHBondContact CD1-O 2.98Å; V340-A347 PolarHBondContact N-O 3.48Å; V340-A347 PolarHBondContact O-N 2.88Å |
| 348 | F | 96.9 | Very high | 90.9 | Very high | 129 Ų | 129 | 66.2 Ų | 66.2 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.2 | 175 | 65.7 | -88.2 | 0 | 0 | 0 | 110.8 | K337 I338 | K337-F348 VanDerWaalsContact CE-CB 3.49Å; K337-F348 HydrophobicContact CG-CB 4.45Å; I338-F348 CarbonylContact O-C 3.57Å; I338-F348 WeakPolarHBondContact O-CA 3.44Å |
| 349 | E | 97.3 | Very high | 89.6 | Confident | 92 Ų | 92 | 70.2 Ų | 70.2 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 150.7 | 172.5 | -169.9 | 66.3 | -164.9 | 0 | 0 | 108.4 | I261 I338 | I261-E349 HydrophobicContact CB-CB 3.7Å; I261-E349 HydrophobicContact CB-CG 4.45Å; I261-E349 HydrophobicContact CD1-CB 4.32Å; I261-E349 HydrophobicContact CG2-CB 3.7Å; I261-E349 HydrophobicContact CG2-CG 4.42Å; I338-E349 PolarHBondContact N-O 3.25Å; I338-E349 PolarHBondContact O-N 3.46Å |
| 350 | E | 97.3 | Very high | 88.8 | Confident | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.8 | 179.4 | -65.7 | -175 | -177.6 | 0 | 0 | 111.3 | N335 W336 | N335-E350 PolarHBondContact ND2-OE2 2.76Å; W336-E350 CarbonylContact O-C 3.53Å; W336-E350 WeakPolarHBondContact O-CA 3.29Å |
| 351 | F | 96.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 78.3 Ų | 78.3 | 1% | 0.013 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.2 | 170.6 | 67.6 | -89.6 | 0 | 0 | 0 | 110.6 | T263 Y268 V274 L325 W336 I338 V353 | T263-F351 HydrophobicContact CG2-CB 4.2Å; T263-F351 HydrophobicContact CG2-CD1 4.16Å; T263-F351 HydrophobicContact CG2-CG 4.36Å; Y268-F351 AromaticContact CD2-CD2 3.69Å; Y268-F351 HydrophobicContact CD2-CD2 3.69Å; Y268-F351 HydrophobicContact CD2-CE2 4.31Å; Y268-F351 HydrophobicContact CD2-CG 4.44Å; Y268-F351 HydrophobicContact CE2-CB 4.32Å; Y268-F351 AromaticContact CE2-CD2 3.99Å; Y268-F351 HydrophobicContact CE2-CD2 3.99Å; Y268-F351 HydrophobicContact CE2-CG 4.35Å; V274-F351 HydrophobicContact CG1-CE1 4.32Å; V274-F351 HydrophobicContact CG1-CE2 4.25Å; V274-F351 HydrophobicContact CG1-CZ 4.14Å; V274-F351 HydrophobicContact CG2-CD2 4.42Å; V274-F351 HydrophobicContact CG2-CE2 3.8Å; V274-F351 HydrophobicContact CG2-CZ 4.18Å; L325-F351 HydrophobicContact CD2-CZ 3.96Å; W336-F351 HydrophobicContact CB-CD1 3.96Å; W336-F351 HydrophobicContact CB-CD2 4.03Å; W336-F351 HydrophobicContact CB-CE1 3.5Å; W336-F351 VanDerWaalsContact CB-CE1 3.5Å; W336-F351 HydrophobicContact CB-CE2 3.58Å; W336-F351 HydrophobicContact CB-CG 4.22Å; W336-F351 HydrophobicContact CB-CZ 3.29Å; W336-F351 HydrophobicContact CD2-CE2 4.29Å; W336-F351 HydrophobicContact CD2-CZ 4.06Å; W336-F351 HydrophobicContact CE3-CZ 4.09Å; W336-F351 HydrophobicContact CG-CE1 4.44Å; W336-F351 AromaticContact CG-CE2 3.8Å; W336-F351 HydrophobicContact CG-CE2 3.8Å; W336-F351 AromaticContact CG-CZ 3.77Å; W336-F351 HydrophobicContact CG-CZ 3.77Å; W336-F351 PolarHBondContact N-O 3.39Å; W336-F351 PolarHBondContact O-N 3.22Å; I338-F351 HydrophobicContact CD1-CD1 3.64Å; I338-F351 HydrophobicContact CD1-CE1 3.78Å; I338-F351 HydrophobicContact CG1-CD1 3.93Å; I338-F351 HydrophobicContact CG1-CE1 3.74Å; F351-V353 HydrophobicContact CD2-CG2 4.05Å; F351-V353 HydrophobicContact CE2-CG2 3.68Å |
| 352 | G | 95.5 | Very high | 88 | Confident | 13 Ų | 13 | 82.3 Ų | 82.3 | 13% | 0.134 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 141.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | G266 I267 Y268 | G266-G352 PolarHBondContact O-N 3.15Å; I267-G352 CarbonylContact C-O 3.57Å; I267-G352 VanDerWaalsContact CA-O 3.29Å; I267-G352 WeakPolarHBondContact CA-O 3.32Å; Y268-G352 PolarHBondContact N-O 3.3Å |
| 353 | V | 96.2 | Very high | 88 | Confident | 2 Ų | 2 | 85.9 Ų | 85.9 | 1% | 0.012 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118 | 163.3 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | Y268 L327 P331 L333 G334 W336 F351 | Y268-V353 WeakPolarHBondContact O-CA 3.14Å; L327-V353 HydrophobicContact CD1-CG1 4.02Å; L327-V353 HydrophobicContact CD1-CG2 3.72Å; L327-V353 HydrophobicContact CD2-CG2 4.26Å; P331-V353 HydrophobicContact CB-CG1 4.49Å; P331-V353 HydrophobicContact CG-CG1 3.81Å; L333-V353 WeakPolarHBondContact CA-O 3.42Å; L333-V353 HydrophobicContact CD2-CG1 4.23Å; G334-V353 PolarHBondContact N-O 3.33Å; G334-V353 PolarHBondContact O-N 3.01Å; W336-V353 HydrophobicContact CD2-CG2 4.39Å; W336-V353 HydrophobicContact CG-CG2 4.02Å; F351-V353 HydrophobicContact CD2-CG2 4.05Å; F351-V353 HydrophobicContact CE2-CG2 3.68Å |
| 354 | D | 92.5 | Very high | 88.3 | Confident | 89 Ų | 89 | 85.3 Ų | 85.3 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | trans | -141.3 | 162.2 | -177.5 | -159.2 | -1.4 | 0 | 0 | 0 | 110.9 | I267 Y268 K269 P270 Y356 | I267-D354 HydrophobicContact CG2-CB 4.11Å; Y268-D354 PolarHBondContact O-N 2.85Å; K269-D354 WeakPolarHBondContact CA-O 3.34Å; P270-D354 WeakPolarHBondContact CD-O 3.13Å; D354-Y356 PolarHBondContact O-N 3.05Å | ||
| 355 | K | 87.7 | Confident | 88.8 | Confident | 151 Ų | 151 | 84 Ų | 84 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | trans | -68.9 | 83.7 | 166.9 | -65.9 | -176.2 | -176 | -179.1 | 0 | 108.2 | L333 V357 | L333-K355 HydrophobicContact CD1-CD 4.44Å; L333-K355 HydrophobicContact CD1-CG 4.01Å; K355-V357 PolarHBondContact O-N 3.49Å | ||
| 356 | Y | 72.8 | Confident | 89 | Confident | 131 Ų | 131 | 87.4 Ų | 87.4 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | trans | -67.3 | 103.9 | 178.2 | -166.1 | -90.3 | 0 | 0 | 0 | 110 | D354 L358 | D354-Y356 PolarHBondContact O-N 3.05Å; Y356-L358 HydrophobicContact CE1-CB 4.47Å; Y356-L358 HydrophobicContact CE1-CD1 4.33Å | ||
| 357 | V | 71 | Confident | 88.8 | Confident | 97 Ų | 97 | 84.4 Ų | 84.4 | 59% | 0.588 | 43% | 0.433 | S | S | * | . | trans | -89.4 | 123.8 | 164.6 | -177.9 | 0 | 0 | 0 | 0 | 106.3 | K355 P359 | K355-V357 PolarHBondContact O-N 3.49Å; V357-P359 WeakPolarHBondContact O-CD 3.42Å; V357-P359 VanDerWaalsContact O-N 3.15Å | ||
| 358 | L | 77 | Confident | 88.5 | Confident | 121 Ų | 121 | 85.9 Ų | 85.9 | 63% | 0.634 | 44% | 0.441 | S | S | * | . | trans | -65.3 | 113.9 | 172.9 | 178.7 | 68 | 0 | 0 | 0 | 107.3 | Y356 T360 | Y356-L358 HydrophobicContact CE1-CB 4.47Å; Y356-L358 HydrophobicContact CE1-CD1 4.33Å; L358-T360 PolarHBondContact O-N 3.48Å | ||
| 359 | P | 69.9 | Low | 88.2 | Confident | 84 Ų | 84 | 85.4 Ų | 85.4 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | trans | -65.9 | 108 | 177.9 | 25.1 | -31.2 | 0 | 0 | 0 | 108.1 | V357 | V357-P359 WeakPolarHBondContact O-CD 3.42Å; V357-P359 VanDerWaalsContact O-N 3.15Å | ||
| 360 | T | 81 | Confident | 87.8 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | trans | -86.6 | 126.5 | 172.4 | 51.2 | 0 | 0 | 0 | 0 | 108.3 | L358 Q386 | L358-T360 PolarHBondContact O-N 3.48Å; T360-Q386 PolarHBondContact O-N 3.45Å; T360-Q386 PolarHBondContact OG1-OE1 3.37Å | ||
| 361 | F | 86.1 | Confident | 87.2 | Confident | 138 Ų | 138 | 87.6 Ų | 87.6 | 61% | 0.605 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.3 | 170.9 | 68 | -90 | 0 | 0 | 0 | 109.8 | V363 K384 F385 | F361-V363 HydrophobicContact CD2-CG2 3.83Å; F361-V363 HydrophobicContact CE2-CG2 4Å; F361-K384 CarbonylContact C-O 3.58Å; F361-K384 WeakPolarHBondContact CA-O 3.43Å; F361-K384 WeakPolarHBondContact CB-O 3.33Å; F361-F385 HydrophobicContact CB-CD1 3.47Å; F361-F385 VanDerWaalsContact CB-CD1 3.47Å; F361-F385 HydrophobicContact CB-CE1 3.72Å; F361-F385 HydrophobicContact CB-CG 4.28Å; F361-F385 HydrophobicContact CG-CD1 4.43Å; F361-F385 HydrophobicContact CG-CE1 4.29Å |
| 362 | E | 89.1 | Confident | 86.7 | Confident | 109 Ų | 109 | 92.2 Ų | 92.2 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.4 | 175.4 | -178 | -175.4 | -149.4 | 0 | 0 | 107.5 | A383 K384 | E362-A383 CarbonylContact O-C 3.47Å; E362-A383 WeakPolarHBondContact O-CA 3.44Å; E362-K384 HydrophobicContact CB-CB 4.36Å; E362-K384 PolarHBondContact N-O 3.42Å; E362-K384 PolarHBondContact O-N 2.97Å; E362-K384 WeakPolarHBondContact OE2-CD 3.46Å; E362-K384 IonicContact OE2-NZ 3.86Å; E362-K384 PolarHBondContact OE2-NZ 2.89Å |
| 363 | V | 92.7 | Very high | 86.1 | Confident | 78 Ų | 78 | 98.8 Ų | 98.8 | 47% | 0.473 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.8 | 171.8 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | F361 V365 V381 T382 A383 | F361-V363 HydrophobicContact CD2-CG2 3.83Å; F361-V363 HydrophobicContact CE2-CG2 4Å; V363-V365 HydrophobicContact CG1-CG2 4.21Å; V363-V381 HydrophobicContact CG1-CG1 3.75Å; V363-T382 CarbonylContact C-O 3.6Å; V363-T382 WeakPolarHBondContact CA-O 3.45Å; V363-A383 HydrophobicContact CG2-CB 4.42Å |
| 364 | E | 93.3 | Very high | 85.7 | Confident | 73 Ų | 73 | 106.5 Ų | 106.5 | 34% | 0.341 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.4 | 173.4 | -169.7 | -176.9 | 178.3 | 0 | 0 | 108.8 | K366 T382 | E364-K366 HydrophobicContact CG-CG 4.35Å; E364-K366 WeakPolarHBondContact OE1-CE 3.4Å; E364-K366 IonicContact OE1-NZ 3.56Å; E364-K366 IonicContact OE2-NZ 3.91Å; E364-T382 PolarHBondContact N-O 3.42Å; E364-T382 PolarHBondContact O-N 3.12Å |
| 365 | V | 93.8 | Very high | 85.3 | Confident | 84 Ų | 84 | 103.7 Ų | 103.7 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.5 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 108 | V363 P367 V379 V381 | V363-V365 HydrophobicContact CG1-CG2 4.21Å; V365-P367 WeakPolarHBondContact O-CD 3.37Å; V365-V379 HydrophobicContact CG1-CG1 3.29Å; V365-V381 HydrophobicContact CG1-CG2 4.43Å; V365-V381 HydrophobicContact CG2-CG1 4.43Å; V365-V381 HydrophobicContact CG2-CG2 4.4Å |
| 366 | K | 91.7 | Very high | 85.2 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 45% | 0.448 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 98.6 | 176.6 | -68.8 | -176.8 | -178.1 | 176.3 | 0 | 109.8 | E364 F380 | E364-K366 HydrophobicContact CG-CG 4.35Å; E364-K366 WeakPolarHBondContact OE1-CE 3.4Å; E364-K366 IonicContact OE1-NZ 3.56Å; E364-K366 IonicContact OE2-NZ 3.91Å; K366-F380 HydrophobicContact CB-CB 4.23Å; K366-F380 PolarHBondContact N-O 3.35Å; K366-F380 PolarHBondContact O-N 3.33Å |
| 367 | P | 91.3 | Very high | 86 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | trans | -70.3 | 161.4 | 168.2 | 31.8 | -35 | 0 | 0 | 0 | 110.4 | V365 | V365-P367 WeakPolarHBondContact O-CD 3.37Š| ||
| 368 | P | 89.8 | Confident | 86.8 | Confident | 55 Ų | 55 | 103.1 Ų | 103.1 | 36% | 0.357 | 58% | 0.583 | S | S | . | * | trans | -64.4 | 154.9 | 167.3 | 29.2 | -32.2 | 0 | 0 | 0 | 110.2 | F370 I377 T378 | P368-F370 PolarHBondContact O-N 3.49Å; P368-I377 HydrophobicContact CG-CG2 3.84Å; P368-T378 WeakPolarHBondContact CD-O 3.39Å | ||
| 369 | S | 89.3 | Confident | 87.5 | Confident | 119 Ų | 119 | 100.4 Ų | 100.4 | 83% | 0.832 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -66.2 | -22.1 | -178.3 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 370 | F | 88.4 | Confident | 88.6 | Confident | 169 Ų | 169 | 103.1 Ų | 103.1 | 74% | 0.741 | 58% | 0.575 | S | S | * | * | trans | -148.4 | 152.4 | 174.3 | 56.5 | -89.6 | 0 | 0 | 0 | 110 | P368 | P368-F370 PolarHBondContact O-N 3.49Š| ||
| 371 | A | 86 | Confident | 89.2 | Confident | 62 Ų | 62 | 104.7 Ų | 104.7 | 51% | 0.512 | 58% | 0.584 | S | S | . | * | trans | -139.9 | 141.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I377 | A371-I377 HydrophobicContact CB-CD1 3.83Å; A371-I377 HydrophobicContact CB-CG1 3.95Å | ||
| 372 | T | 85.9 | Confident | 89.5 | Confident | 101 Ų | 101 | 101 Ų | 101 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | trans | -89.4 | 140.9 | 173 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | N374 G375 | T372-N374 PolarHBondContact O-N 3Å; T372-G375 PolarHBondContact O-N 2.88Å | ||
| 373 | V | 83.8 | Confident | 89.6 | Confident | 151 Ų | 151 | 98.1 Ų | 98.1 | 92% | 0.915 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -27.9 | -174.5 | -178.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 374 | N | 86.1 | Confident | 89.4 | Confident | 164 Ų | 164 | 99.2 Ų | 99.2 | 88% | 0.877 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 17.5 | -178.7 | -64.5 | -13.5 | 0 | 0 | 0 | 113.8 | T372 | T372-N374 PolarHBondContact O-N 3Š|
| 375 | G | 83.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 102.4 Ų | 102.4 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -105.2 | 153.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T372 I377 | T372-G375 PolarHBondContact O-N 2.88Å; G375-I377 PolarHBondContact O-N 3.17Å |
| 376 | D | 87.1 | Confident | 87.9 | Confident | 169 Ų | 169 | 105.2 Ų | 105.2 | 90% | 0.904 | 59% | 0.587 | S | S | * | * | trans | -62.8 | 133.4 | 171.9 | -67.4 | -25.6 | 0 | 0 | 0 | 110.4 | ||||
| 377 | I | 88 | Confident | 86.4 | Confident | 100 Ų | 100 | 113.2 Ų | 113.2 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | trans | -105.3 | 109.9 | 178 | -55.2 | 178.7 | 0 | 0 | 0 | 108.8 | P368 A371 G375 V379 | P368-I377 HydrophobicContact CG-CG2 3.84Å; A371-I377 HydrophobicContact CB-CD1 3.83Å; A371-I377 HydrophobicContact CB-CG1 3.95Å; G375-I377 PolarHBondContact O-N 3.17Å; I377-V379 HydrophobicContact CG2-CG2 3.85Å | ||
| 378 | T | 88.4 | Confident | 86.2 | Confident | 98 Ų | 98 | 114.4 Ų | 114.4 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | trans | -88.3 | 116.2 | 172.2 | -53.9 | 0 | 0 | 0 | 0 | 109.7 | P368 | P368-T378 WeakPolarHBondContact CD-O 3.39Š| ||
| 379 | V | 92.3 | Very high | 86 | Confident | 63 Ų | 63 | 117.5 Ų | 117.5 | 38% | 0.382 | 63% | 0.631 | S | S | . | * | trans | -108.7 | 134.2 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | V365 I377 V381 | V365-V379 HydrophobicContact CG1-CG1 3.29Å; I377-V379 HydrophobicContact CG2-CG2 3.85Å; V379-V381 HydrophobicContact CG1-CG2 4.43Å | ||
| 380 | F | 92.7 | Very high | 85.8 | Confident | 142 Ų | 142 | 117.4 Ų | 117.4 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 118 | 173.6 | -64.5 | -83.2 | 0 | 0 | 0 | 109.9 | K366 | K366-F380 HydrophobicContact CB-CB 4.23Å; K366-F380 PolarHBondContact N-O 3.35Å; K366-F380 PolarHBondContact O-N 3.33Å |
| 381 | V | 93.7 | Very high | 85.6 | Confident | 100 Ų | 100 | 114.4 Ų | 114.4 | 61% | 0.606 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.7 | 174.6 | -176 | 0 | 0 | 0 | 0 | 108.3 | V363 V365 V379 | V363-V381 HydrophobicContact CG1-CG1 3.75Å; V365-V381 HydrophobicContact CG1-CG2 4.43Å; V365-V381 HydrophobicContact CG2-CG1 4.43Å; V365-V381 HydrophobicContact CG2-CG2 4.4Å; V379-V381 HydrophobicContact CG1-CG2 4.43Å |
| 382 | T | 92.7 | Very high | 85.6 | Confident | 60 Ų | 60 | 117.7 Ų | 117.7 | 37% | 0.368 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 123 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 108.4 | V363 E364 | V363-T382 CarbonylContact C-O 3.6Å; V363-T382 WeakPolarHBondContact CA-O 3.45Å; E364-T382 PolarHBondContact N-O 3.42Å; E364-T382 PolarHBondContact O-N 3.12Å |
| 383 | A | 91.4 | Very high | 85.6 | Confident | 49 Ų | 49 | 118.8 Ų | 118.8 | 41% | 0.405 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E362 V363 F385 | E362-A383 CarbonylContact O-C 3.47Å; E362-A383 WeakPolarHBondContact O-CA 3.44Å; V363-A383 HydrophobicContact CG2-CB 4.42Å; A383-F385 HydrophobicContact CB-CE2 3.62Å; A383-F385 HydrophobicContact CB-CZ 3.78Å |
| 384 | K | 88.2 | Confident | 85.7 | Confident | 102 Ų | 102 | 116.5 Ų | 116.5 | 44% | 0.443 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.9 | 172.4 | -59.5 | 178 | -162.2 | 149.7 | 0 | 108.6 | F361 E362 | F361-K384 CarbonylContact C-O 3.58Å; F361-K384 WeakPolarHBondContact CA-O 3.43Å; F361-K384 WeakPolarHBondContact CB-O 3.33Å; E362-K384 HydrophobicContact CB-CB 4.36Å; E362-K384 PolarHBondContact N-O 3.42Å; E362-K384 PolarHBondContact O-N 2.97Å; E362-K384 WeakPolarHBondContact OE2-CD 3.46Å; E362-K384 IonicContact OE2-NZ 3.86Å; E362-K384 PolarHBondContact OE2-NZ 2.89Å |
| 385 | F | 83.3 | Confident | 85.7 | Confident | 139 Ų | 139 | 112.8 Ų | 112.8 | 61% | 0.61 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129 | 139.3 | 179.4 | -55.8 | -93.6 | 0 | 0 | 0 | 108.1 | F361 A383 | F361-F385 HydrophobicContact CB-CD1 3.47Å; F361-F385 VanDerWaalsContact CB-CD1 3.47Å; F361-F385 HydrophobicContact CB-CE1 3.72Å; F361-F385 HydrophobicContact CB-CG 4.28Å; F361-F385 HydrophobicContact CG-CD1 4.43Å; F361-F385 HydrophobicContact CG-CE1 4.29Å; A383-F385 HydrophobicContact CB-CE2 3.62Å; A383-F385 HydrophobicContact CB-CZ 3.78Å |
| 386 | Q | 71.8 | Confident | 85.9 | Confident | 143 Ų | 143 | 119.8 Ų | 119.8 | 67% | 0.668 | 60% | 0.599 | S | S | * | * | trans | -102.7 | 127.4 | 165.9 | -69.3 | -178.2 | -20.9 | 0 | 0 | 108.3 | T360 | T360-Q386 PolarHBondContact O-N 3.45Å; T360-Q386 PolarHBondContact OG1-OE1 3.37Å | ||
| 387 | Y | 60.8 | Low | 85.8 | Confident | 272 Ų | 272 | 115.3 Ų | 115.3 | 100% | 1.067 | 57% | 0.571 | S | S | * | * | trans | -90.9 | 0 | 171.6 | -86.8 | -80.3 | 0 | 0 | 0 | 110.7 |
Retrieved 387 of 387 residues in 639.9 ms
(Link to these results)