| 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 | V | 44.9 | Very low | 43.4 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 100% | 1.145 | 73% | 0.726 | S | S | * | * | 0 | -10.7 | 0 | -172 | 0 | 0 | 0 | 0 | 114.4 | R3 | V1-R3 PolarHBondContact O-N 3.4Š| |||
| 2 | G | 40.8 | Very low | 44 | Very low | 63 Ų | 63 | 132.3 Ų | 132.3 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -3.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 3 | R | 35 | Very low | 44.2 | Very low | 247 Ų | 247 | 131.2 Ų | 131.2 | 93% | 0.932 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -14.5 | -175 | -90.3 | -179.5 | 174.8 | 161.1 | -1.8 | 115.8 | V1 | V1-R3 PolarHBondContact O-N 3.4Š|
| 4 | K | 40.7 | Very low | 44.5 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 83% | 0.83 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -87.1 | -18.4 | 178.6 | -73.8 | -171.8 | 177.2 | -177.4 | 0 | 114.7 | ||
| 5 | K | 41.9 | Very low | 45.2 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 79% | 0.787 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.1 | -24.8 | -177.4 | -78.7 | -173.5 | 176.4 | -177.8 | 0 | 114.7 | S7 | K5-S7 VanDerWaalsContact C-N 3.33Å; K5-S7 PolarHBondContact O-N 3.24Å |
| 6 | K | 37.6 | Very low | 45.4 | Very low | 186 Ų | 186 | 123 Ų | 123 | 81% | 0.809 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.2 | -24.2 | 177.9 | -73 | -171.4 | 176.7 | -174.8 | 0 | 113.4 | ||
| 7 | S | 46.8 | Very low | 46 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 64% | 0.643 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.3 | -33.6 | 179.1 | -174.2 | 0 | 0 | 0 | 0 | 113.5 | K5 F11 | K5-S7 VanDerWaalsContact C-N 3.33Å; K5-S7 PolarHBondContact O-N 3.24Å; S7-F11 PolarHBondContact O-N 3.47Å |
| 8 | A | 46.8 | Very low | 46.4 | Very low | 55 Ų | 55 | 117.5 Ų | 117.5 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77.5 | -29.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K12 | A8-K12 WeakPolarHBondContact O-CG 3.47Å; A8-K12 PolarHBondContact O-N 3.35Å; A8-K12 VanDerWaalsContact O-N 3.09Å |
| 9 | L | 44.2 | Very low | 46.7 | Very low | 128 Ų | 128 | 115.4 Ų | 115.4 | 67% | 0.67 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.7 | -40.4 | 177.4 | -153.5 | 76 | 0 | 0 | 0 | 111.2 | K12 Q13 | L9-K12 PolarHBondContact O-N 3.47Å; L9-Q13 PolarHBondContact O-N 3.17Å; L9-Q13 VanDerWaalsContact O-N 3.08Å |
| 10 | G | 46.6 | Very low | 46.9 | Very low | 44 Ų | 44 | 118 Ų | 118 | 45% | 0.454 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.8 | -40.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q13 Y14 | G10-Q13 PolarHBondContact O-N 3.48Å; G10-Y14 VanDerWaalsContact O-CB 3.26Å; G10-Y14 WeakPolarHBondContact O-CB 3.46Å; G10-Y14 PolarHBondContact O-N 3.37Å |
| 11 | F | 52.5 | Low | 46.9 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 61% | 0.61 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.7 | -40.7 | 176.7 | -166.5 | -97.3 | 0 | 0 | 0 | 112.9 | S7 Y14 L15 | S7-F11 PolarHBondContact O-N 3.47Å; F11-Y14 PolarHBondContact O-N 3.48Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.31Å |
| 12 | K | 49.6 | Very low | 47.2 | Very low | 73 Ų | 73 | 110.7 Ų | 110.7 | 32% | 0.317 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -40.5 | 175.7 | -77.2 | 178.1 | 179.2 | 178.2 | 0 | 112.1 | A8 L9 L16 E165 | A8-K12 WeakPolarHBondContact O-CG 3.47Å; A8-K12 PolarHBondContact O-N 3.35Å; A8-K12 VanDerWaalsContact O-N 3.09Å; L9-K12 PolarHBondContact O-N 3.47Å; K12-L16 PolarHBondContact O-N 3.27Å; K12-L16 VanDerWaalsContact O-N 3.1Å; K12-E165 IonicContact NZ-OE1 2.66Å; K12-E165 PolarHBondContact NZ-OE1 2.59Å |
| 13 | Q | 46.9 | Very low | 47.7 | Very low | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 175.9 | -169.3 | 68.7 | 23.1 | 0 | 0 | 111.4 | L9 G10 L15 L16 I17 | L9-Q13 PolarHBondContact O-N 3.17Å; L9-Q13 VanDerWaalsContact O-N 3.08Å; G10-Q13 PolarHBondContact O-N 3.48Å; Q13-L15 PolarHBondContact O-N 3.38Å; Q13-L16 PolarHBondContact O-N 3.15Å; Q13-I17 HydrophobicContact CG-CD1 4.14Å; Q13-I17 VanDerWaalsContact O-CG1 3.27Å; Q13-I17 WeakPolarHBondContact O-CG1 3.33Å; Q13-I17 PolarHBondContact O-N 3.38Å |
| 14 | Y | 48.1 | Very low | 48 | Very low | 146 Ų | 146 | 106 Ų | 106 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 176.5 | -170.4 | -103.6 | 0 | 0 | 0 | 111.9 | G10 F11 I17 L18 | G10-Y14 VanDerWaalsContact O-CB 3.26Å; G10-Y14 WeakPolarHBondContact O-CB 3.46Å; G10-Y14 PolarHBondContact O-N 3.37Å; F11-Y14 PolarHBondContact O-N 3.48Å; Y14-I17 PolarHBondContact O-N 3.47Å; Y14-L18 HydrophobicContact CD1-CD1 3.7Å; Y14-L18 HydrophobicContact CD1-CG 4.33Å; Y14-L18 HydrophobicContact CE1-CD1 3.5Å; Y14-L18 HydrophobicContact CE1-CG 4.15Å; Y14-L18 WeakPolarHBondContact O-CG 3.26Å; Y14-L18 PolarHBondContact O-N 3.39Å |
| 15 | L | 55.6 | Low | 48.5 | Very low | 44 Ų | 44 | 101.2 Ų | 101.2 | 23% | 0.23 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.1 | -164.4 | 71.5 | 0 | 0 | 0 | 112.4 | F11 Q13 L18 L19 V145 L150 | F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.31Å; Q13-L15 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 3.33Å; L15-L19 HydrophobicContact CG-CD1 4.42Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.06Å; L15-V145 HydrophobicContact CD2-CG1 4.35Å; L15-L150 HydrophobicContact CD2-CD1 4.3Å |
| 16 | L | 48.1 | Very low | 48.6 | Very low | 72 Ų | 72 | 97.4 Ų | 97.4 | 38% | 0.377 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 173.9 | -83.4 | 160.1 | 0 | 0 | 0 | 112.5 | K12 Q13 L19 K20 | K12-L16 PolarHBondContact O-N 3.27Å; K12-L16 VanDerWaalsContact O-N 3.1Å; Q13-L16 PolarHBondContact O-N 3.15Å; L16-L19 PolarHBondContact O-N 3.29Å; L16-K20 PolarHBondContact O-N 3.3Å |
| 17 | I | 55.6 | Low | 48.9 | Very low | 82 Ų | 82 | 94.9 Ų | 94.9 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 174.5 | -67.9 | 164.4 | 0 | 0 | 0 | 110.6 | Q13 Y14 K20 Q21 | Q13-I17 HydrophobicContact CG-CD1 4.14Å; Q13-I17 VanDerWaalsContact O-CG1 3.27Å; Q13-I17 WeakPolarHBondContact O-CG1 3.33Å; Q13-I17 PolarHBondContact O-N 3.38Å; Y14-I17 PolarHBondContact O-N 3.47Å; I17-K20 PolarHBondContact O-N 3.47Å; I17-Q21 PolarHBondContact O-N 3.16Å |
| 18 | L | 53.3 | Low | 48.5 | Very low | 65 Ų | 65 | 97.4 Ų | 97.4 | 34% | 0.34 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.2 | -75.1 | 172.7 | 0 | 0 | 0 | 111.9 | Y14 L15 K20 Q21 T22 | Y14-L18 HydrophobicContact CD1-CD1 3.7Å; Y14-L18 HydrophobicContact CD1-CG 4.33Å; Y14-L18 HydrophobicContact CE1-CD1 3.5Å; Y14-L18 HydrophobicContact CE1-CG 4.15Å; Y14-L18 WeakPolarHBondContact O-CG 3.26Å; Y14-L18 PolarHBondContact O-N 3.39Å; L15-L18 PolarHBondContact O-N 3.33Å; L18-K20 PolarHBondContact O-N 3.32Å; L18-Q21 WeakPolarHBondContact O-CB 3.3Å; L18-Q21 PolarHBondContact O-N 2.95Å; L18-T22 WeakPolarHBondContact O-CG2 3.4Å; L18-T22 PolarHBondContact O-N 3.06Å |
| 19 | L | 52.4 | Low | 48.7 | Very low | 77 Ų | 77 | 96.7 Ų | 96.7 | 40% | 0.403 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 176.4 | -71.8 | 168.5 | 0 | 0 | 0 | 111.9 | L15 L16 T22 E23 | L15-L19 HydrophobicContact CG-CD1 4.42Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.06Å; L16-L19 PolarHBondContact O-N 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.38Å; L19-T22 PolarHBondContact O-N 2.91Å; L19-T22 PolarHBondContact O-OG1 3.3Å; L19-E23 PolarHBondContact O-N 2.92Å |
| 20 | K | 50.5 | Low | 48.7 | Very low | 168 Ų | 168 | 95 Ų | 95 | 73% | 0.73 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 171.2 | -81.1 | -166.5 | 173.9 | -168.8 | 0 | 112.8 | L16 I17 L18 T22 E23 L24 | L16-K20 PolarHBondContact O-N 3.3Å; I17-K20 PolarHBondContact O-N 3.47Å; L18-K20 PolarHBondContact O-N 3.32Å; K20-T22 VanDerWaalsContact C-N 3.33Å; K20-T22 PolarHBondContact O-N 3.42Å; K20-E23 PolarHBondContact O-N 3.48Å; K20-L24 PolarHBondContact O-N 3.16Å |
| 21 | Q | 46.3 | Very low | 48.3 | Very low | 107 Ų | 107 | 98 Ų | 98 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 173.7 | -85.8 | 176.5 | -20.2 | 0 | 0 | 112.4 | I17 L18 E23 L24 I25 | I17-Q21 PolarHBondContact O-N 3.16Å; L18-Q21 WeakPolarHBondContact O-CB 3.3Å; L18-Q21 PolarHBondContact O-N 2.95Å; Q21-E23 PolarHBondContact O-N 2.69Å; Q21-L24 WeakPolarHBondContact O-CB 3.45Å; Q21-L24 PolarHBondContact O-N 3.48Å; Q21-I25 VanDerWaalsContact O-CG1 3.28Å; Q21-I25 WeakPolarHBondContact O-CG1 3.49Å; Q21-I25 PolarHBondContact O-N 3.22Å |
| 22 | T | 52.5 | Low | 47.9 | Very low | 46 Ų | 46 | 96.5 Ų | 96.5 | 28% | 0.282 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.3 | -33.3 | 176.5 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | L18 L19 K20 I25 K26 L138 | L18-T22 WeakPolarHBondContact O-CG2 3.4Å; L18-T22 PolarHBondContact O-N 3.06Å; L19-T22 WeakPolarHBondContact CA-OG1 3.38Å; L19-T22 PolarHBondContact O-N 2.91Å; L19-T22 PolarHBondContact O-OG1 3.3Å; K20-T22 VanDerWaalsContact C-N 3.33Å; K20-T22 PolarHBondContact O-N 3.42Å; T22-I25 PolarHBondContact O-N 3.41Å; T22-K26 WeakPolarHBondContact O-CB 3.43Å; T22-K26 PolarHBondContact O-N 2.91Å; T22-L138 HydrophobicContact CG2-CD2 4.5Å |
| 23 | E | 51.5 | Low | 47.6 | Very low | 90 Ų | 90 | 98.8 Ų | 98.8 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 172.7 | -73.5 | -63.5 | 160.5 | 0 | 0 | 111.9 | L19 K20 Q21 K26 F27 R283 | L19-E23 PolarHBondContact O-N 2.92Å; K20-E23 PolarHBondContact O-N 3.48Å; Q21-E23 PolarHBondContact O-N 2.69Å; E23-K26 PolarHBondContact O-N 3.42Å; E23-F27 PolarHBondContact O-N 2.91Å; E23-R283 IonicContact OE2-CZ 3.71Å; E23-R283 IonicContact OE2-NE 2.65Å; E23-R283 IonicContact OE2-NH2 2.7Å; E23-R283 PolarHBondContact OE2-NH2 2.83Å |
| 24 | L | 41 | Very low | 47.3 | Very low | 123 Ų | 123 | 98.4 Ų | 98.4 | 64% | 0.644 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.8 | -38.1 | 174.8 | -122.6 | 143.1 | 0 | 0 | 0 | 112.2 | K20 Q21 K28 | K20-L24 PolarHBondContact O-N 3.16Å; Q21-L24 WeakPolarHBondContact O-CB 3.45Å; Q21-L24 PolarHBondContact O-N 3.48Å; L24-K28 WeakPolarHBondContact O-CB 3.28Å; L24-K28 PolarHBondContact O-N 3.42Å; L24-K28 VanDerWaalsContact O-N 3.12Å |
| 25 | I | 50.2 | Low | 47.3 | Very low | 90 Ų | 90 | 95.2 Ų | 95.2 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 173.1 | -67.7 | 163.3 | 0 | 0 | 0 | 110.2 | Q21 T22 F27 K28 V29 | Q21-I25 VanDerWaalsContact O-CG1 3.28Å; Q21-I25 WeakPolarHBondContact O-CG1 3.49Å; Q21-I25 PolarHBondContact O-N 3.22Å; T22-I25 PolarHBondContact O-N 3.41Å; I25-F27 PolarHBondContact O-N 2.97Å; I25-K28 PolarHBondContact O-N 3.46Å; I25-K28 VanDerWaalsContact O-N 3.17Å; I25-V29 HydrophobicContact CG2-CG2 4.22Å; I25-V29 WeakPolarHBondContact O-CB 3.27Å; I25-V29 VanDerWaalsContact O-CG2 3.24Å; I25-V29 WeakPolarHBondContact O-CG2 3.42Å; I25-V29 PolarHBondContact O-N 3.04Å |
| 26 | K | 45.3 | Very low | 46.9 | Very low | 100 Ų | 100 | 98.9 Ų | 98.9 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | -178.9 | -160.1 | 166.5 | 161.3 | -137.3 | 0 | 112.1 | T22 E23 V29 E30 R283 | T22-K26 WeakPolarHBondContact O-CB 3.43Å; T22-K26 PolarHBondContact O-N 2.91Å; E23-K26 PolarHBondContact O-N 3.42Å; K26-V29 PolarHBondContact O-N 2.97Å; K26-E30 PolarHBondContact O-N 2.91Å; K26-E30 VanDerWaalsContact O-N 3.09Å; K26-R283 VanDerWaalsContact CB-NH2 3.3Å; K26-R283 VanDerWaalsContact CD-CZ 3.46Å; K26-R283 VanDerWaalsContact CE-NH2 3.31Å |
| 27 | F | 42.3 | Very low | 46.4 | Very low | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -38.8 | 170.2 | -173.3 | -102.9 | 0 | 0 | 0 | 112.6 | E23 I25 E30 L31 | E23-F27 PolarHBondContact O-N 2.91Å; I25-F27 PolarHBondContact O-N 2.97Å; F27-E30 PolarHBondContact O-N 3.25Å; F27-L31 HydrophobicContact CD1-CD1 4.01Å; F27-L31 HydrophobicContact CE1-CD1 3.75Å; F27-L31 HydrophobicContact CZ-CD1 4.44Å; F27-L31 PolarHBondContact O-N 3.47Å |
| 28 | K | 40.1 | Very low | 45.9 | Very low | 146 Ų | 146 | 102.4 Ų | 102.4 | 64% | 0.635 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -73 | -30.3 | 178.1 | -148.3 | 164.2 | -173.6 | 176.8 | 0 | 112.8 | L24 I25 L32 | L24-K28 WeakPolarHBondContact O-CB 3.28Å; L24-K28 PolarHBondContact O-N 3.42Å; L24-K28 VanDerWaalsContact O-N 3.12Å; I25-K28 PolarHBondContact O-N 3.46Å; I25-K28 VanDerWaalsContact O-N 3.17Å; K28-L32 WeakPolarHBondContact O-CG 3.47Å; K28-L32 PolarHBondContact O-N 2.97Å |
| 29 | V | 49.2 | Very low | 45.4 | Very low | 40 Ų | 40 | 101.4 Ų | 101.4 | 24% | 0.242 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 172.3 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | I25 K26 L32 N33 | I25-V29 HydrophobicContact CG2-CG2 4.22Å; I25-V29 WeakPolarHBondContact O-CB 3.27Å; I25-V29 VanDerWaalsContact O-CG2 3.24Å; I25-V29 WeakPolarHBondContact O-CG2 3.42Å; I25-V29 PolarHBondContact O-N 3.04Å; K26-V29 PolarHBondContact O-N 2.97Å; V29-L32 PolarHBondContact O-N 2.99Å; V29-N33 PolarHBondContact O-N 3.28Å; V29-N33 VanDerWaalsContact O-N 3.08Å |
| 30 | E | 45 | Very low | 45 | Very low | 93 Ų | 93 | 103.9 Ų | 103.9 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -38.6 | 174 | -80.3 | 164.4 | -172.2 | 0 | 0 | 112.4 | K26 F27 L32 N33 S34 R283 | K26-E30 PolarHBondContact O-N 2.91Å; K26-E30 VanDerWaalsContact O-N 3.09Å; F27-E30 PolarHBondContact O-N 3.25Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.94Å; E30-N33 PolarHBondContact O-N 3.17Å; E30-S34 PolarHBondContact O-N 3.17Å; E30-R283 IonicContact OE1-CZ 2.94Å; E30-R283 IonicContact OE1-NH1 2.77Å; E30-R283 PolarHBondContact OE1-NH1 3.36Å; E30-R283 IonicContact OE2-NH1 3.68Å |
| 31 | L | 37.8 | Very low | 44.5 | Very low | 106 Ų | 106 | 103.8 Ų | 103.8 | 56% | 0.555 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.3 | -34.5 | 173.2 | -74.5 | 166.3 | 0 | 0 | 0 | 113.1 | F27 | F27-L31 HydrophobicContact CD1-CD1 4.01Å; F27-L31 HydrophobicContact CE1-CD1 3.75Å; F27-L31 HydrophobicContact CZ-CD1 4.44Å; F27-L31 PolarHBondContact O-N 3.47Å |
| 32 | L | 44.6 | Very low | 44.3 | Very low | 107 Ų | 107 | 107.2 Ų | 107.2 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.6 | -28.3 | 177.6 | -70.3 | 169.5 | 0 | 0 | 0 | 113.1 | K28 V29 E30 S35 | K28-L32 WeakPolarHBondContact O-CG 3.47Å; K28-L32 PolarHBondContact O-N 2.97Å; V29-L32 PolarHBondContact O-N 2.99Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.94Å; L32-S35 PolarHBondContact O-OG 3.48Å |
| 33 | N | 44 | Very low | 43.8 | Very low | 122 Ų | 122 | 112.8 Ų | 112.8 | 65% | 0.652 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.8 | -21.8 | 176.6 | -76 | -17.6 | 0 | 0 | 0 | 113.1 | V29 E30 S35 | V29-N33 PolarHBondContact O-N 3.28Å; V29-N33 VanDerWaalsContact O-N 3.08Å; E30-N33 PolarHBondContact O-N 3.17Å; N33-S35 VanDerWaalsContact C-N 3.28Å; N33-S35 PolarHBondContact O-N 3.12Å |
| 34 | S | 39.3 | Very low | 43.3 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 76% | 0.762 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -15.5 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 113.5 | E30 | E30-S34 PolarHBondContact O-N 3.17Š|
| 35 | S | 47.6 | Very low | 43.1 | Very low | 79 Ų | 79 | 120.5 Ų | 120.5 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 5.5 | -174.2 | 43.9 | 0 | 0 | 0 | 0 | 115.5 | L32 N33 | L32-S35 PolarHBondContact O-OG 3.48Å; N33-S35 VanDerWaalsContact C-N 3.28Å; N33-S35 PolarHBondContact O-N 3.12Å |
| 36 | N | 47.9 | Very low | 42.9 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 65% | 0.652 | 66% | 0.655 | S | S | * | * | trans | -124.3 | 75.5 | -177.4 | -73.8 | -29.7 | 0 | 0 | 0 | 112.9 | C38 | N36-C38 VanDerWaalsContact C-N 3.26Å; N36-C38 PolarHBondContact O-N 2.85Å | ||
| 37 | S | 38.8 | Very low | 42.9 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -83.7 | 72.5 | 154.8 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | G39 | S37-G39 PolarHBondContact O-N 3.49Š| ||
| 38 | C | 44.3 | Very low | 43 | Very low | 113 Ų | 113 | 121 Ų | 121 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | trans | -93.8 | 85.2 | 164.1 | -88.6 | 0 | 0 | 0 | 0 | 109 | N36 | N36-C38 VanDerWaalsContact C-N 3.26Å; N36-C38 PolarHBondContact O-N 2.85Å | ||
| 39 | G | 42.6 | Very low | 43.2 | Very low | 43 Ų | 43 | 121.5 Ų | 121.5 | 44% | 0.443 | 68% | 0.682 | S | S | . | * | trans | -81.6 | 158.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S37 H41 | S37-G39 PolarHBondContact O-N 3.49Å; G39-H41 PolarHBondContact O-N 3.27Å | ||
| 40 | P | 44.3 | Very low | 43 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 84% | 0.844 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 25.7 | -170.9 | 32.8 | -36.5 | 0 | 0 | 0 | 115.3 | ||
| 41 | H | 40.4 | Very low | 43 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 2.6 | -169.7 | -91 | -75.9 | 0 | 0 | 0 | 117.5 | G39 L43 | G39-H41 PolarHBondContact O-N 3.27Å; H41-L43 VanDerWaalsContact C-N 3.27Å; H41-L43 PolarHBondContact O-N 3.01Å |
| 42 | H | 41 | Very low | 43.3 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | -87.3 | 69.4 | 177.5 | -64.8 | -60.4 | 0 | 0 | 0 | 112.1 | ||||
| 43 | L | 43.1 | Very low | 43.4 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | trans | -79.6 | 113.2 | 165.4 | -135.3 | 81.7 | 0 | 0 | 0 | 108.6 | H41 | H41-L43 VanDerWaalsContact C-N 3.27Å; H41-L43 PolarHBondContact O-N 3.01Å | ||
| 44 | R | 39.5 | Very low | 43.4 | Very low | 215 Ų | 215 | 132.2 Ų | 132.2 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 53.6 | 94.9 | 149 | -170.8 | 175.9 | 169.2 | -176.3 | -6.1 | 116.4 | P46 | R44-P46 WeakPolarHBondContact O-CD 3.47Š| ||
| 45 | N | 38.5 | Very low | 43.7 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70 | 125.7 | 152.6 | -70.8 | -11.1 | 0 | 0 | 0 | 108 | ||
| 46 | P | 44.6 | Very low | 43.6 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.8 | 165 | -18.5 | 31.7 | 0 | 0 | 0 | 109 | R44 | R44-P46 WeakPolarHBondContact O-CD 3.47Š|
| 47 | G | 47 | Very low | 43.5 | Very low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 153.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 48 | D | 43.1 | Very low | 43.9 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -53 | 139.9 | -177.8 | -63.5 | -35.8 | 0 | 0 | 0 | 111.7 | G50 | D48-G50 PolarHBondContact O-N 3.46Š|
| 49 | Q | 43.8 | Very low | 44.1 | Very low | 156 Ų | 156 | 141 Ų | 141 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.1 | 176.8 | -178.4 | 175.9 | -21.9 | 0 | 0 | 108.8 | ||
| 50 | G | 46.9 | Very low | 44.4 | Very low | 55 Ų | 55 | 149 Ų | 149 | 57% | 0.567 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 152.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D48 | D48-G50 PolarHBondContact O-N 3.46Š|
| 51 | D | 43.4 | Very low | 44.4 | Very low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 146.1 | -178.7 | -66.5 | -41.9 | 0 | 0 | 0 | 112.6 | ||
| 52 | Y | 44.5 | Very low | 44.9 | Very low | 208 Ų | 208 | 146 Ų | 146 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 138.2 | 175.4 | -72.2 | -85.4 | 0 | 0 | 0 | 110.7 | ||
| 53 | G | 45.9 | Very low | 45.2 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 151.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 54 | E | 44.8 | Very low | 45.6 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 147.8 | 179.8 | -67.6 | -171.9 | 156.1 | 0 | 0 | 112.9 | G56 | E54-G56 PolarHBondContact O-N 3.47Š|
| 55 | Q | 45.7 | Very low | 46.1 | Very low | 195 Ų | 195 | 140 Ų | 140 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.8 | 179 | -177.2 | 175.5 | -15.2 | 0 | 0 | 110.7 | ||
| 56 | G | 46.4 | Very low | 46.6 | Very low | 67 Ų | 67 | 138.1 Ų | 138.1 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 149.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | E54 | E54-G56 PolarHBondContact O-N 3.47Š|
| 57 | E | 44.9 | Very low | 47.1 | Very low | 198 Ų | 198 | 139 Ų | 139 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 148.7 | -178.3 | -64.1 | -160.8 | 159.1 | 0 | 0 | 113.6 | ||
| 58 | E | 48.3 | Very low | 47.3 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 136.9 | 179.6 | -167.9 | 172.3 | -170 | 0 | 0 | 111.9 | ||
| 59 | G | 47.7 | Very low | 47.6 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 141.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 60 | K | 48.1 | Very low | 47.8 | Very low | 211 Ų | 211 | 138 Ų | 138 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 140.5 | 179.7 | -62.3 | -175.8 | 179.8 | -177.8 | 0 | 111.9 | G62 | K60-G62 PolarHBondContact O-N 3.48Š|
| 61 | L | 45.6 | Very low | 47.8 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.1 | 177.2 | -169.6 | 71.5 | 0 | 0 | 0 | 111.4 | ||
| 62 | G | 50.3 | Low | 47.8 | Very low | 60 Ų | 60 | 136.7 Ų | 136.7 | 62% | 0.619 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 146.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K60 | K60-G62 PolarHBondContact O-N 3.48Š|
| 63 | K | 47.6 | Very low | 48 | Very low | 208 Ų | 208 | 133.9 Ų | 133.9 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 141.9 | 178.7 | -61.7 | -179.6 | -178.8 | 180 | 0 | 110.5 | ||
| 64 | N | 52 | Low | 48 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 140 | 175.2 | -66.4 | -3.8 | 0 | 0 | 0 | 110.9 | ||
| 65 | G | 48.3 | Very low | 48.4 | Very low | 65 Ų | 65 | 138.8 Ų | 138.8 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 149.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 66 | P | 50.9 | Low | 48.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64 | 150.6 | 176.5 | 26.5 | -32.9 | 0 | 0 | 0 | 111.5 | ||
| 67 | P | 54.8 | Low | 48.4 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 138.7 | 174.7 | -22.6 | 32.5 | 0 | 0 | 0 | 111.9 | ||
| 68 | G | 49.8 | Very low | 48.5 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A70 | G68-A70 PolarHBondContact O-N 2.98Š|
| 69 | L | 50 | Low | 48.2 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.8 | 178.5 | -71.2 | 162.3 | 0 | 0 | 0 | 111 | G71 | L69-G71 PolarHBondContact O-N 3.49Š|
| 70 | A | 47.7 | Very low | 48.1 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -64.8 | 113.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G68 | G68-A70 PolarHBondContact O-N 2.98Š| ||
| 71 | G | 47.9 | Very low | 47.8 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -101.4 | 106.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L69 | L69-G71 PolarHBondContact O-N 3.49Š| ||
| 72 | T | 43.8 | Very low | 47.6 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -147.3 | 143.8 | 162.9 | 49.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 73 | K | 47.4 | Very low | 47.5 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | cis | -159.5 | 157.3 | 9.9 | -115 | 168 | 178.5 | -173 | 0 | 105.9 | G86 | K73-G86 PolarHBondContact NZ-O 3.3Š| ||
| 74 | R | 47.3 | Very low | 47.5 | Very low | 242 Ų | 242 | 132.4 Ų | 132.4 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -78.8 | 134.7 | 176.9 | -66 | -175.6 | -174.6 | -135.8 | 1.7 | 111.9 | ||||
| 75 | V | 52.6 | Low | 47.4 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | 15 | 152.1 | 121.1 | -169.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 76 | P | 48.8 | Very low | 47.6 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | -137.5 | -173.7 | -1.2 | 26 | 0.1 | 0 | 0 | 0 | 116 | ||||
| 77 | G | 42.4 | Very low | 47.7 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 153.6 | 131.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 78 | E | 47 | Very low | 47.5 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -54.4 | 159.1 | 169.6 | -77.4 | -179.8 | 143.8 | 0 | 0 | 112.7 | G80 | E78-G80 PolarHBondContact O-N 3.09Š| ||
| 79 | P | 42.7 | Very low | 47.6 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -54.9 | 125.5 | 164.2 | -13.5 | 26.8 | 0 | 0 | 0 | 108.2 | ||
| 80 | G | 45.3 | Very low | 47.8 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | S | Bend | -118.4 | 145.9 | 73.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E78 K82 | E78-G80 PolarHBondContact O-N 3.09Å; G80-K82 PolarHBondContact O-N 3.45Å | |
| 81 | L | 42.3 | Very low | 47.9 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -49 | 122.5 | -172.5 | -72.2 | 154.9 | 0 | 0 | 0 | 114.9 | ||||
| 82 | K | 40.1 | Very low | 48.1 | Very low | 207 Ų | 207 | 134.5 Ų | 134.5 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | trans | 60.1 | 117.6 | 133.6 | -161.4 | -179.8 | -173.8 | -178 | 0 | 116.7 | G80 | G80-K82 PolarHBondContact O-N 3.45Š| ||
| 83 | G | 48.7 | Very low | 48.7 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | cis | 150.5 | 137.1 | 5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 84 | E | 48.5 | Very low | 48.9 | Very low | 202 Ų | 202 | 136.4 Ų | 136.4 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | trans | -141.2 | 148.1 | 164.1 | -75 | -164.7 | 156.7 | 0 | 0 | 110 | ||||
| 85 | V | 50.1 | Low | 49.1 | Very low | 142 Ų | 142 | 128 Ų | 128 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 131.3 | -158.7 | 175.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 86 | G | 51.5 | Low | 49.3 | Very low | 44 Ų | 44 | 131.1 Ų | 131.1 | 45% | 0.454 | 80% | 0.804 | S | S | . | * | P | Polyproline II helix | trans | -78.1 | 143.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K73 | K73-G86 PolarHBondContact NZ-O 3.3Š|
| 87 | P | 54.1 | Low | 49.6 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 163.2 | -177.7 | 26.8 | -33.2 | 0 | 0 | 0 | 114.7 | ||
| 88 | S | 50.6 | Low | 50.2 | Low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 147.8 | -166.9 | -76.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 89 | G | 51 | Low | 50.8 | Low | 60 Ų | 60 | 133.3 Ų | 133.3 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71 | 151.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 90 | K | 55.3 | Low | 51.3 | Low | 209 Ų | 209 | 136.9 Ų | 136.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70 | 147.1 | 176.1 | -63.7 | -175.9 | 178.7 | -175.9 | 0 | 111.1 | ||
| 91 | M | 48.7 | Very low | 51.8 | Low | 189 Ų | 189 | 136.5 Ų | 136.5 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 135.8 | 176.1 | -168.5 | 159.7 | 63 | 0 | 0 | 111 | ||
| 92 | G | 51.6 | Low | 52.6 | Low | 56 Ų | 56 | 133.3 Ų | 133.3 | 58% | 0.577 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 160.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 93 | P | 56.8 | Low | 53.2 | Low | 132 Ų | 132 | 132.4 Ų | 132.4 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 151.1 | 178 | 27.3 | -33.4 | 0 | 0 | 0 | 112.1 | G95 | P93-G95 PolarHBondContact O-N 3.43Š|
| 94 | I | 51.1 | Low | 53.5 | Low | 169 Ų | 169 | 132 Ų | 132 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 131.2 | 172.2 | -66.7 | 169.9 | 0 | 0 | 0 | 108.5 | ||
| 95 | G | 52.3 | Low | 54.1 | Low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 149.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P93 | P93-G95 PolarHBondContact O-N 3.43Š|
| 96 | E | 57 | Low | 54.5 | Low | 196 Ų | 196 | 132.6 Ų | 132.6 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 147.3 | 179.8 | -65 | -172.3 | 147.4 | 0 | 0 | 112 | G98 | E96-G98 PolarHBondContact O-N 2.89Š|
| 97 | K | 54.7 | Low | 54.6 | Low | 203 Ų | 203 | 133.6 Ų | 133.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 125.6 | 176.6 | -175.6 | 177.6 | -178.8 | 177.7 | 0 | 108.9 | ||
| 98 | G | 55.9 | Low | 55 | Low | 66 Ų | 66 | 133.7 Ų | 133.7 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 146.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | E96 | E96-G98 PolarHBondContact O-N 2.89Š|
| 99 | D | 57.9 | Low | 55.6 | Low | 164 Ų | 164 | 135 Ų | 135 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 146.3 | -177.8 | -67.1 | -44.8 | 0 | 0 | 0 | 112.6 | G101 | D99-G101 PolarHBondContact O-N 3.48Š|
| 100 | K | 54.5 | Low | 55.8 | Low | 205 Ų | 205 | 134.8 Ų | 134.8 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.1 | 174 | -170.4 | 177.1 | -178.6 | 179.1 | 0 | 108.9 | ||
| 101 | G | 55.6 | Low | 55.9 | Low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 145.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D99 | D99-G101 PolarHBondContact O-N 3.48Š|
| 102 | A | 58.5 | Low | 56.4 | Low | 102 Ų | 102 | 133.4 Ų | 133.4 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 145.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G104 | A102-G104 PolarHBondContact O-N 3.41Š|
| 103 | K | 53.6 | Low | 56.5 | Low | 189 Ų | 189 | 133.5 Ų | 133.5 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 134.4 | 173.9 | -167.6 | -175.3 | 179 | -164.1 | 0 | 108.9 | ||
| 104 | G | 54.9 | Low | 56.2 | Low | 60 Ų | 60 | 136.3 Ų | 136.3 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 150.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A102 | A102-G104 PolarHBondContact O-N 3.41Š|
| 105 | F | 61.6 | Low | 56.3 | Low | 211 Ų | 211 | 133.1 Ų | 133.1 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 147.2 | 178 | -67.5 | -82 | 0 | 0 | 0 | 111.2 | ||
| 106 | D | 58.5 | Low | 56.4 | Low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 140 | 172.5 | -63.9 | -34.4 | 0 | 0 | 0 | 110 | ||
| 107 | G | 52.8 | Low | 56.2 | Low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 157 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 108 | P | 63.1 | Low | 56.1 | Low | 130 Ų | 130 | 125.7 Ų | 125.7 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 146.8 | 179.6 | 26.8 | -33.6 | 0 | 0 | 0 | 111.7 | G110 | P108-G110 PolarHBondContact O-N 2.92Š|
| 109 | V | 61.6 | Low | 56 | Low | 148 Ų | 148 | 128.2 Ų | 128.2 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 129.7 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 110 | G | 55.2 | Low | 56.2 | Low | 57 Ų | 57 | 125.1 Ų | 125.1 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57 | 149.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P108 K112 | P108-G110 PolarHBondContact O-N 2.92Å; G110-K112 PolarHBondContact O-N 2.98Å |
| 111 | I | 57.8 | Low | 56.4 | Low | 169 Ų | 169 | 119.4 Ų | 119.4 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128.3 | -177.6 | -18.4 | 175.4 | 0 | 0 | 0 | 109.5 | G113 | I111-G113 PolarHBondContact O-N 3.34Š|
| 112 | K | 59.1 | Low | 56.8 | Low | 200 Ų | 200 | 118.3 Ų | 118.3 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 125.8 | 177.1 | -170.3 | 176.2 | -177.9 | 177.6 | 0 | 109.9 | G110 | G110-K112 PolarHBondContact O-N 2.98Š|
| 113 | G | 53.6 | Low | 57.1 | Low | 58 Ų | 58 | 122.3 Ų | 122.3 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 146.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | I111 | I111-G113 PolarHBondContact O-N 3.34Š|
| 114 | Q | 50.4 | Low | 57.5 | Low | 191 Ų | 191 | 121 Ų | 121 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.1 | 179.5 | -72.2 | -176.8 | -5.1 | 0 | 0 | 111.4 | ||
| 115 | A | 53.2 | Low | 58.4 | Low | 101 Ų | 101 | 128 Ų | 128 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 134.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 116 | G | 54.5 | Low | 58.9 | Low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61 | 145.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T118 | G116-T118 PolarHBondContact O-N 3.48Š|
| 117 | A | 52.5 | Low | 59.7 | Low | 102 Ų | 102 | 122.7 Ų | 122.7 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 118 | T | 52.5 | Low | 60.9 | Low | 137 Ų | 137 | 123.5 Ų | 123.5 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.8 | 176.8 | 41.9 | 0 | 0 | 0 | 0 | 111 | G116 D120 | G116-T118 PolarHBondContact O-N 3.48Å; T118-D120 PolarHBondContact O-N 2.91Å; T118-D120 VanDerWaalsContact O-N 3.15Å |
| 119 | C | 55.1 | Low | 61.4 | Low | 118 Ų | 118 | 119.1 Ų | 119.1 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | trans | -69.6 | 106.2 | 172.4 | -77.6 | 0 | 0 | 0 | 0 | 110.1 | C121 | C119-C121 VanDerWaalsContact C-N 3.3Å; C119-C121 PolarHBondContact O-N 3.04Å | ||
| 120 | D | 60.7 | Low | 62.3 | Low | 99 Ų | 99 | 117.8 Ų | 117.8 | 53% | 0.529 | 68% | 0.677 | S | S | . | * | trans | -76 | 78.7 | 174.3 | -177.7 | 12.1 | 0 | 0 | 0 | 111.3 | T118 G122 R123 Y124 | T118-D120 PolarHBondContact O-N 2.91Å; T118-D120 VanDerWaalsContact O-N 3.15Å; D120-G122 PolarHBondContact O-N 3.46Å; D120-G122 WeakPolarHBondContact OD1-CA 3.24Å; D120-G122 PolarHBondContact OD1-N 3.49Å; D120-R123 PolarHBondContact OD1-N 3.24Å; D120-Y124 WeakPolarHBondContact O-CD2 3.47Å | ||
| 121 | C | 60.1 | Low | 63.4 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 58% | 0.581 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.5 | -14.2 | 171.4 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | C119 R125 | C119-C121 VanDerWaalsContact C-N 3.3Å; C119-C121 PolarHBondContact O-N 3.04Å; C121-R125 PolarHBondContact O-N 3.08Å |
| 122 | G | 63.6 | Low | 64 | Low | 43 Ų | 43 | 115.9 Ų | 115.9 | 44% | 0.443 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.8 | -36.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D120 | D120-G122 PolarHBondContact O-N 3.46Å; D120-G122 WeakPolarHBondContact OD1-CA 3.24Å; D120-G122 PolarHBondContact OD1-N 3.49Å |
| 123 | R | 63.9 | Low | 65.1 | Low | 186 Ų | 186 | 111.7 Ų | 111.7 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64 | -42.7 | 176.1 | -173.5 | 174.5 | -178.7 | 171.9 | -0.1 | 112.8 | D120 | D120-R123 PolarHBondContact OD1-N 3.24Å |
| 124 | Y | 63.8 | Low | 66.2 | Low | 163 Ų | 163 | 113.3 Ų | 113.3 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.5 | -32.7 | -178.4 | -65.5 | -76.6 | 0 | 0 | 0 | 112.8 | D120 K126 V127 V128 | D120-Y124 WeakPolarHBondContact O-CD2 3.47Å; Y124-K126 VanDerWaalsContact C-N 3.3Å; Y124-K126 PolarHBondContact O-N 3.41Å; Y124-V127 PolarHBondContact O-N 3.1Å; Y124-V127 VanDerWaalsContact O-N 3.16Å; Y124-V128 WeakPolarHBondContact O-CG2 3.36Å; Y124-V128 PolarHBondContact O-N 3.27Å |
| 125 | R | 73.3 | Confident | 67.7 | Low | 206 Ų | 206 | 107.1 Ų | 107.1 | 78% | 0.777 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -58.1 | -38.9 | 178.8 | -168.6 | -179.4 | -176.5 | 102.5 | -0.5 | 113.2 | C121 G129 | C121-R125 PolarHBondContact O-N 3.08Å; R125-G129 PolarHBondContact O-N 2.89Å |
| 126 | K | 71.6 | Confident | 68.9 | Low | 158 Ų | 158 | 103.8 Ų | 103.8 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.1 | -41.6 | 177.7 | -69.6 | -176.5 | -179.5 | 177.7 | 0 | 111.9 | Y124 Q130 | Y124-K126 VanDerWaalsContact C-N 3.3Å; Y124-K126 PolarHBondContact O-N 3.41Å; K126-Q130 WeakPolarHBondContact O-CB 3.19Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.87Å |
| 127 | V | 75.5 | Confident | 70.1 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 53% | 0.527 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -43.8 | 179.1 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | Y124 Q130 L131 | Y124-V127 PolarHBondContact O-N 3.1Å; Y124-V127 VanDerWaalsContact O-N 3.16Å; V127-Q130 PolarHBondContact O-N 3.31Å; V127-L131 WeakPolarHBondContact O-CB 3.48Å; V127-L131 PolarHBondContact O-N 3.33Å |
| 128 | V | 77.1 | Confident | 71.2 | Confident | 83 Ų | 83 | 104.3 Ų | 104.3 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | Y124 Q130 L131 D132 | Y124-V128 WeakPolarHBondContact O-CG2 3.36Å; Y124-V128 PolarHBondContact O-N 3.27Å; V128-Q130 PolarHBondContact O-N 2.91Å; V128-L131 WeakPolarHBondContact O-CB 3.28Å; V128-L131 PolarHBondContact O-N 2.98Å; V128-L131 VanDerWaalsContact O-N 3.16Å; V128-D132 PolarHBondContact O-N 3.49Å |
| 129 | G | 75.2 | Confident | 72.3 | Confident | 38 Ų | 38 | 107.2 Ų | 107.2 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R125 L131 D132 E133 | R125-G129 PolarHBondContact O-N 2.89Å; G129-L131 VanDerWaalsContact C-N 3.34Å; G129-D132 PolarHBondContact O-N 3.4Å; G129-E133 PolarHBondContact O-N 2.86Å |
| 130 | Q | 78.8 | Confident | 73.2 | Confident | 120 Ų | 120 | 106.6 Ų | 106.6 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.7 | -37 | 174.6 | -78.1 | 169.6 | -19.3 | 0 | 0 | 112.2 | K126 V127 V128 N134 | K126-Q130 WeakPolarHBondContact O-CB 3.19Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.87Å; V127-Q130 PolarHBondContact O-N 3.31Å; V128-Q130 PolarHBondContact O-N 2.91Å; Q130-N134 WeakPolarHBondContact O-CB 3.36Å; Q130-N134 PolarHBondContact O-N 3.27Å; Q130-N134 PolarHBondContact O-ND2 3.4Å |
| 131 | L | 78.2 | Confident | 73.5 | Confident | 87 Ų | 87 | 106.8 Ų | 106.8 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 175.5 | -176.5 | 61 | 0 | 0 | 0 | 111.5 | V127 V128 G129 E133 N134 L135 | V127-L131 WeakPolarHBondContact O-CB 3.48Å; V127-L131 PolarHBondContact O-N 3.33Å; V128-L131 WeakPolarHBondContact O-CB 3.28Å; V128-L131 PolarHBondContact O-N 2.98Å; V128-L131 VanDerWaalsContact O-N 3.16Å; G129-L131 VanDerWaalsContact C-N 3.34Å; L131-E133 PolarHBondContact O-N 3.49Å; L131-N134 PolarHBondContact O-N 2.94Å; L131-L135 HydrophobicContact CD1-CG 4.43Å; L131-L135 HydrophobicContact CG-CD1 4.15Å; L131-L135 HydrophobicContact CG-CG 4.47Å; L131-L135 WeakPolarHBondContact O-CB 3.5Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.4Å; L131-L135 PolarHBondContact O-N 3.48Å |
| 132 | D | 71.9 | Confident | 74.2 | Confident | 99 Ų | 99 | 105.6 Ų | 105.6 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.3 | -77.5 | -23.4 | 0 | 0 | 0 | 112.1 | V128 G129 N134 L135 G136 | V128-D132 PolarHBondContact O-N 3.49Å; G129-D132 PolarHBondContact O-N 3.4Å; D132-N134 VanDerWaalsContact C-N 3.35Å; D132-N134 PolarHBondContact O-N 3.5Å; D132-L135 PolarHBondContact O-N 3Å; D132-G136 PolarHBondContact O-N 3.36Å |
| 133 | E | 81.8 | Confident | 74.5 | Confident | 111 Ų | 111 | 109.9 Ų | 109.9 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.6 | -164.4 | -170.8 | 156 | 0 | 0 | 111.3 | G129 L131 G136 K137 | G129-E133 PolarHBondContact O-N 2.86Å; L131-E133 PolarHBondContact O-N 3.49Å; E133-G136 PolarHBondContact O-N 2.68Å; E133-K137 WeakPolarHBondContact O-CG 3.43Å; E133-K137 PolarHBondContact O-N 2.98Å; E133-K137 WeakPolarHBondContact OE1-CE 3.35Å; E133-K137 IonicContact OE1-NZ 2.69Å; E133-K137 PolarHBondContact OE1-NZ 3.24Å |
| 134 | N | 76.8 | Confident | 74.6 | Confident | 93 Ų | 93 | 106.7 Ų | 106.7 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.8 | -72 | -26.2 | 0 | 0 | 0 | 112.2 | Q130 L131 D132 K137 L138 | Q130-N134 WeakPolarHBondContact O-CB 3.36Å; Q130-N134 PolarHBondContact O-N 3.27Å; Q130-N134 PolarHBondContact O-ND2 3.4Å; L131-N134 PolarHBondContact O-N 2.94Å; D132-N134 VanDerWaalsContact C-N 3.35Å; D132-N134 PolarHBondContact O-N 3.5Å; N134-K137 PolarHBondContact O-N 3.26Å; N134-L138 WeakPolarHBondContact O-CB 3.34Å; N134-L138 PolarHBondContact O-N 3.19Å |
| 135 | L | 82.3 | Confident | 74.7 | Confident | 60 Ų | 60 | 101.1 Ų | 101.1 | 31% | 0.314 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 173.5 | -73.1 | 172.8 | 0 | 0 | 0 | 111.6 | L131 D132 L138 R139 | L131-L135 HydrophobicContact CD1-CG 4.43Å; L131-L135 HydrophobicContact CG-CD1 4.15Å; L131-L135 HydrophobicContact CG-CG 4.47Å; L131-L135 WeakPolarHBondContact O-CB 3.5Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.4Å; L131-L135 PolarHBondContact O-N 3.48Å; D132-L135 PolarHBondContact O-N 3Å; L135-L138 PolarHBondContact O-N 3.26Å; L135-R139 WeakPolarHBondContact O-CB 3.22Å; L135-R139 PolarHBondContact O-N 3.46Å |
| 136 | G | 78.5 | Confident | 74.3 | Confident | 31 Ų | 31 | 92.9 Ų | 92.9 | 32% | 0.32 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D132 E133 L138 R139 N140 | D132-G136 PolarHBondContact O-N 3.36Å; E133-G136 PolarHBondContact O-N 2.68Å; G136-L138 PolarHBondContact O-N 3.35Å; G136-R139 PolarHBondContact O-N 3.42Å; G136-N140 PolarHBondContact O-N 2.95Å; G136-N140 PolarHBondContact O-ND2 3.35Å |
| 137 | K | 78.7 | Confident | 73.7 | Confident | 104 Ų | 104 | 89.3 Ų | 89.3 | 45% | 0.452 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 174.3 | -73.5 | 172.4 | -175.2 | 164.6 | 0 | 111.3 | E133 N134 R139 N140 N141 | E133-K137 WeakPolarHBondContact O-CG 3.43Å; E133-K137 PolarHBondContact O-N 2.98Å; E133-K137 WeakPolarHBondContact OE1-CE 3.35Å; E133-K137 IonicContact OE1-NZ 2.69Å; E133-K137 PolarHBondContact OE1-NZ 3.24Å; N134-K137 PolarHBondContact O-N 3.26Å; K137-R139 PolarHBondContact O-N 3.09Å; K137-N140 PolarHBondContact O-N 3.43Å; K137-N141 WeakPolarHBondContact O-CB 3.38Å; K137-N141 VanDerWaalsContact O-CG 3.23Å; K137-N141 PolarHBondContact O-N 3.08Å; K137-N141 PolarHBondContact O-ND2 2.93Å |
| 138 | L | 75.3 | Confident | 72.9 | Confident | 81 Ų | 81 | 89.8 Ų | 89.8 | 42% | 0.424 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 178.1 | -175.1 | 62.5 | 0 | 0 | 0 | 111.7 | T22 N134 L135 G136 N140 N141 V142 | T22-L138 HydrophobicContact CG2-CD2 4.5Å; N134-L138 WeakPolarHBondContact O-CB 3.34Å; N134-L138 PolarHBondContact O-N 3.19Å; L135-L138 PolarHBondContact O-N 3.26Å; G136-L138 PolarHBondContact O-N 3.35Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 3.25Å; L138-N141 PolarHBondContact O-N 2.95Å; L138-V142 HydrophobicContact CD1-CG2 4.44Å; L138-V142 WeakPolarHBondContact O-CB 3.49Å; L138-V142 VanDerWaalsContact O-CG2 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.46Å; L138-V142 PolarHBondContact O-N 3.43Å |
| 139 | R | 77.1 | Confident | 72.1 | Confident | 198 Ų | 198 | 90.3 Ų | 90.3 | 75% | 0.747 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 178 | -173.5 | 177.9 | -179.1 | 179.2 | -0.3 | 112.1 | L135 G136 K137 V142 K143 | L135-R139 WeakPolarHBondContact O-CB 3.22Å; L135-R139 PolarHBondContact O-N 3.46Å; G136-R139 PolarHBondContact O-N 3.42Å; K137-R139 PolarHBondContact O-N 3.09Å; R139-V142 PolarHBondContact O-N 3.49Å; R139-K143 WeakPolarHBondContact O-CB 3.39Å; R139-K143 PolarHBondContact O-N 3.24Å |
| 140 | N | 73.1 | Confident | 71.5 | Confident | 106 Ų | 106 | 91.4 Ų | 91.4 | 57% | 0.567 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 177.4 | -72.4 | -19.9 | 0 | 0 | 0 | 111.7 | G136 K137 L138 V142 K143 F144 | G136-N140 PolarHBondContact O-N 2.95Å; G136-N140 PolarHBondContact O-ND2 3.35Å; K137-N140 PolarHBondContact O-N 3.43Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 3.25Å; N140-V142 VanDerWaalsContact C-N 3.35Å; N140-V142 PolarHBondContact O-N 3.32Å; N140-K143 PolarHBondContact O-N 2.95Å; N140-F144 PolarHBondContact O-N 2.91Å |
| 141 | N | 67.6 | Low | 71.1 | Confident | 103 Ų | 103 | 87 Ų | 87 | 55% | 0.551 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 176.4 | -69.6 | -13.4 | 0 | 0 | 0 | 111.6 | K137 L138 F144 V145 | K137-N141 WeakPolarHBondContact O-CB 3.38Å; K137-N141 VanDerWaalsContact O-CG 3.23Å; K137-N141 PolarHBondContact O-N 3.08Å; K137-N141 PolarHBondContact O-ND2 2.93Å; L138-N141 PolarHBondContact O-N 2.95Å; N141-F144 PolarHBondContact O-N 3.47Å; N141-V145 WeakPolarHBondContact O-CG2 3.29Å; N141-V145 PolarHBondContact O-N 3.3Å |
| 142 | V | 74.3 | Confident | 71.4 | Confident | 61 Ų | 61 | 84.5 Ų | 84.5 | 37% | 0.37 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L138 R139 N140 F144 V145 K146 | L138-V142 HydrophobicContact CD1-CG2 4.44Å; L138-V142 WeakPolarHBondContact O-CB 3.49Å; L138-V142 VanDerWaalsContact O-CG2 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.46Å; L138-V142 PolarHBondContact O-N 3.43Å; R139-V142 PolarHBondContact O-N 3.49Å; N140-V142 VanDerWaalsContact C-N 3.35Å; N140-V142 PolarHBondContact O-N 3.32Å; V142-F144 VanDerWaalsContact C-N 3.35Å; V142-F144 PolarHBondContact O-N 3.45Å; V142-V145 PolarHBondContact O-N 2.94Å; V142-K146 VanDerWaalsContact O-CB 3.29Å; V142-K146 WeakPolarHBondContact O-CB 3.32Å; V142-K146 PolarHBondContact O-N 2.89Å |
| 143 | K | 69.6 | Low | 72.1 | Confident | 133 Ų | 133 | 82.8 Ų | 82.8 | 58% | 0.578 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.3 | -41.8 | 176.3 | -170.4 | 178.9 | -178.7 | -177.2 | 0 | 111.7 | R139 N140 K146 N147 | R139-K143 WeakPolarHBondContact O-CB 3.39Å; R139-K143 PolarHBondContact O-N 3.24Å; N140-K143 PolarHBondContact O-N 2.95Å; K143-K146 PolarHBondContact O-N 3.45Å; K143-N147 WeakPolarHBondContact O-CB 3.38Å; K143-N147 PolarHBondContact O-N 2.9Å |
| 144 | F | 65.4 | Low | 72.3 | Confident | 119 Ų | 119 | 82 Ų | 82 | 52% | 0.522 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 174.5 | 177.7 | -92.5 | 0 | 0 | 0 | 111.5 | N140 N141 V142 K146 N147 V148 V149 | N140-F144 PolarHBondContact O-N 2.91Å; N141-F144 PolarHBondContact O-N 3.47Å; V142-F144 VanDerWaalsContact C-N 3.35Å; V142-F144 PolarHBondContact O-N 3.45Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 3.02Å; F144-N147 PolarHBondContact O-N 3.49Å; F144-V148 HydrophobicContact CD2-CB 4.05Å; F144-V148 HydrophobicContact CD2-CG2 3.63Å; F144-V148 HydrophobicContact CE1-CB 4.41Å; F144-V148 HydrophobicContact CE2-CB 3.84Å; F144-V148 HydrophobicContact CE2-CG1 3.83Å; F144-V148 HydrophobicContact CE2-CG2 3.69Å; F144-V148 HydrophobicContact CG-CB 4.43Å; F144-V148 HydrophobicContact CG-CG2 4.3Å; F144-V148 HydrophobicContact CZ-CB 4.03Å; F144-V148 HydrophobicContact CZ-CG1 3.81Å; F144-V148 HydrophobicContact CZ-CG2 4.39Å; F144-V148 WeakPolarHBondContact O-CA 3.29Å; F144-V148 VanDerWaalsContact O-CB 3.29Å; F144-V148 WeakPolarHBondContact O-CB 3.24Å; F144-V148 PolarHBondContact O-N 3.08Å; F144-V149 HydrophobicContact CD1-CG2 4.28Å; F144-V149 HydrophobicContact CE1-CG2 3.89Å |
| 145 | V | 67.1 | Low | 72.9 | Confident | 46 Ų | 46 | 79 Ų | 79 | 28% | 0.279 | 41% | 0.407 | S | S | . | . | I | π-helix | trans | -60.8 | -41 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L15 N141 V142 V149 L150 | L15-V145 HydrophobicContact CD2-CG1 4.35Å; N141-V145 WeakPolarHBondContact O-CG2 3.29Å; N141-V145 PolarHBondContact O-N 3.3Å; V142-V145 PolarHBondContact O-N 2.94Å; V145-V149 HydrophobicContact CG1-CB 4.46Å; V145-V149 WeakPolarHBondContact O-CB 3.46Å; V145-V149 PolarHBondContact O-N 3.17Å; V145-L150 HydrophobicContact CG1-CD1 4.21Å; V145-L150 HydrophobicContact CG1-CG 4.43Å; V145-L150 PolarHBondContact O-N 2.87Å |
| 146 | K | 63.9 | Low | 73 | Confident | 32 Ų | 32 | 85 Ų | 85 | 14% | 0.139 | 43% | 0.434 | C | S | . | . | I | π-helix | trans | -63.2 | -47.8 | 178.7 | -173 | 179 | -172.2 | 172.3 | 0 | 112.7 | V142 K143 F144 G151 L152 E154 | V142-K146 VanDerWaalsContact O-CB 3.29Å; V142-K146 WeakPolarHBondContact O-CB 3.32Å; V142-K146 PolarHBondContact O-N 2.89Å; K143-K146 PolarHBondContact O-N 3.45Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 3.02Å; K146-G151 PolarHBondContact O-N 2.94Å; K146-G151 VanDerWaalsContact O-N 3.17Å; K146-L152 HydrophobicContact CG-CB 3.81Å; K146-L152 HydrophobicContact CG-CD1 3.9Å; K146-L152 HydrophobicContact CG-CG 4.47Å; K146-L152 PolarHBondContact O-N 3.42Å; K146-E154 WeakPolarHBondContact CE-OE2 3.44Å; K146-E154 IonicContact NZ-OE1 3.86Å; K146-E154 PolarHBondContact NZ-OE1 3.48Å; K146-E154 IonicContact NZ-OE2 3.73Å; K146-E154 PolarHBondContact NZ-OE2 3.35Å |
| 147 | N | 59.8 | Low | 73.5 | Confident | 84 Ų | 84 | 87.4 Ų | 87.4 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | I | π-helix | trans | -89.4 | -41.1 | -170.3 | -66.1 | -3.9 | 0 | 0 | 0 | 112.9 | K143 F144 G151 | K143-N147 WeakPolarHBondContact O-CB 3.38Å; K143-N147 PolarHBondContact O-N 2.9Å; F144-N147 PolarHBondContact O-N 3.49Å; N147-G151 WeakPolarHBondContact O-CA 3.44Å |
| 148 | V | 58.1 | Low | 74 | Confident | 97 Ų | 97 | 86 Ų | 86 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | I | π-helix | trans | -93.1 | -41.4 | -172.3 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | F144 | F144-V148 HydrophobicContact CD2-CB 4.05Å; F144-V148 HydrophobicContact CD2-CG2 3.63Å; F144-V148 HydrophobicContact CE1-CB 4.41Å; F144-V148 HydrophobicContact CE2-CB 3.84Å; F144-V148 HydrophobicContact CE2-CG1 3.83Å; F144-V148 HydrophobicContact CE2-CG2 3.69Å; F144-V148 HydrophobicContact CG-CB 4.43Å; F144-V148 HydrophobicContact CG-CG2 4.3Å; F144-V148 HydrophobicContact CZ-CB 4.03Å; F144-V148 HydrophobicContact CZ-CG1 3.81Å; F144-V148 HydrophobicContact CZ-CG2 4.39Å; F144-V148 WeakPolarHBondContact O-CA 3.29Å; F144-V148 VanDerWaalsContact O-CB 3.29Å; F144-V148 WeakPolarHBondContact O-CB 3.24Å; F144-V148 PolarHBondContact O-N 3.08Å |
| 149 | V | 60.1 | Low | 74.8 | Confident | 94 Ų | 94 | 85.9 Ų | 85.9 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | I | π-helix | trans | -90.6 | -43.8 | -172.7 | -176.5 | 0 | 0 | 0 | 0 | 112 | F144 V145 | F144-V149 HydrophobicContact CD1-CG2 4.28Å; F144-V149 HydrophobicContact CE1-CG2 3.89Å; V145-V149 HydrophobicContact CG1-CB 4.46Å; V145-V149 WeakPolarHBondContact O-CB 3.46Å; V145-V149 PolarHBondContact O-N 3.17Å |
| 150 | L | 63.5 | Low | 75.6 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -98.8 | -16.4 | -178 | -62.6 | 174.9 | 0 | 0 | 0 | 113.5 | L15 V145 L152 | L15-L150 HydrophobicContact CD2-CD1 4.3Å; V145-L150 HydrophobicContact CG1-CD1 4.21Å; V145-L150 HydrophobicContact CG1-CG 4.43Å; V145-L150 PolarHBondContact O-N 2.87Å; L150-L152 HydrophobicContact CB-CD1 4.01Å; L150-L152 HydrophobicContact CB-CG 3.9Å; L150-L152 HydrophobicContact CD1-CD1 3.86Å; L150-L152 PolarHBondContact O-N 3.46Å |
| 151 | G | 71 | Confident | 76.5 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 29% | 0.289 | 37% | 0.37 | S | S | . | . | trans | 58.2 | 25.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K146 N147 Y198 | K146-G151 PolarHBondContact O-N 2.94Å; K146-G151 VanDerWaalsContact O-N 3.17Å; N147-G151 WeakPolarHBondContact O-CA 3.44Å; G151-Y198 WeakPolarHBondContact O-CE2 3.47Å; G151-Y198 PolarHBondContact O-OH 3.12Å | ||
| 152 | L | 83 | Confident | 77.7 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | trans | -62.1 | 134.8 | -175.6 | -77.1 | 164 | 0 | 0 | 0 | 110.8 | K146 L150 Y160 L161 | K146-L152 HydrophobicContact CG-CB 3.81Å; K146-L152 HydrophobicContact CG-CD1 3.9Å; K146-L152 HydrophobicContact CG-CG 4.47Å; K146-L152 PolarHBondContact O-N 3.42Å; L150-L152 HydrophobicContact CB-CD1 4.01Å; L150-L152 HydrophobicContact CB-CG 3.9Å; L150-L152 HydrophobicContact CD1-CD1 3.86Å; L150-L152 PolarHBondContact O-N 3.46Å; L152-Y160 WeakPolarHBondContact CA-O 3.43Å; L152-Y160 WeakPolarHBondContact CD2-O 3.48Å; L152-L161 HydrophobicContact CD2-CB 3.55Å; L152-L161 HydrophobicContact CD2-CD1 3.62Å; L152-L161 HydrophobicContact CD2-CG 4.11Å; L152-L161 HydrophobicContact CG-CD1 4.2Å | ||
| 153 | K | 87.1 | Confident | 78.6 | Confident | 64 Ų | 64 | 66 Ų | 66 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 146.3 | 166.5 | -64.4 | -65.4 | -174.2 | 178.3 | 0 | 109.9 | Y159 Y160 L194 Y198 | K153-Y159 WeakPolarHBondContact O-CA 3.49Å; K153-Y160 PolarHBondContact N-O 3.06Å; K153-Y160 PolarHBondContact O-N 2.77Å; K153-L194 HydrophobicContact CB-CD2 4.01Å; K153-L194 HydrophobicContact CG-CD2 4.49Å; K153-Y198 HydrophobicContact CB-CD1 4.25Å; K153-Y198 HydrophobicContact CB-CE1 4.37Å; K153-Y198 HydrophobicContact CD-CD2 4.37Å; K153-Y198 HydrophobicContact CD-CG 4.48Å; K153-Y198 HydrophobicContact CG-CD1 3.62Å; K153-Y198 HydrophobicContact CG-CD2 3.7Å; K153-Y198 HydrophobicContact CG-CE1 3.92Å; K153-Y198 HydrophobicContact CG-CE2 4Å; K153-Y198 HydrophobicContact CG-CG 3.51Å |
| 154 | E | 86.6 | Confident | 79.7 | Confident | 95 Ų | 95 | 65.4 Ų | 65.4 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.7 | -174.5 | 172.6 | 174.3 | -151.6 | 0 | 0 | 109.6 | K146 Y159 K280 | K146-E154 WeakPolarHBondContact CE-OE2 3.44Å; K146-E154 IonicContact NZ-OE1 3.86Å; K146-E154 PolarHBondContact NZ-OE1 3.48Å; K146-E154 IonicContact NZ-OE2 3.73Å; K146-E154 PolarHBondContact NZ-OE2 3.35Å; E154-Y159 HydrophobicContact CB-CD1 4Å; E154-Y159 HydrophobicContact CB-CE1 4.22Å; E154-Y159 HydrophobicContact CG-CD1 3.94Å; E154-Y159 HydrophobicContact CG-CE1 3.72Å; E154-Y159 WeakPolarHBondContact OE1-CE1 3.31Å; E154-K280 VanDerWaalsContact CG-NZ 3.3Å; E154-K280 WeakPolarHBondContact OE1-CE 3.33Å; E154-K280 IonicContact OE1-NZ 2.59Å; E154-K280 PolarHBondContact OE1-NZ 2.93Å |
| 155 | T | 88.1 | Confident | 80.9 | Confident | 29 Ų | 29 | 64 Ų | 64 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | trans | -104.7 | -174.9 | 163.3 | 58.2 | 0 | 0 | 0 | 0 | 109 | D157 R158 Y160 L194 K280 | T155-D157 VanDerWaalsContact C-N 3.28Å; T155-D157 PolarHBondContact O-N 2.59Å; T155-D157 PolarHBondContact OG1-OD1 3.29Å; T155-R158 PolarHBondContact N-O 3.36Å; T155-R158 PolarHBondContact OG1-N 2.81Å; T155-R158 PolarHBondContact OG1-O 3.36Å; T155-Y160 HydrophobicContact CG2-CD2 4.43Å; T155-Y160 HydrophobicContact CG2-CE2 3.65Å; T155-L194 HydrophobicContact CG2-CD1 3.68Å; T155-K280 WeakPolarHBondContact O-CE 3.42Å; T155-K280 PolarHBondContact O-NZ 3.12Å | ||
| 156 | E | 84.6 | Confident | 82.3 | Confident | 187 Ų | 187 | 65.8 Ų | 65.8 | 87% | 0.874 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -62.4 | -38.1 | 175.7 | -65.8 | -179.5 | 176.5 | 0 | 0 | 112.3 | K280 | E156-K280 VanDerWaalsContact O-CD 3.31Å; E156-K280 WeakPolarHBondContact O-CD 3.21Å; E156-K280 WeakPolarHBondContact O-CE 3.33Å; E156-K280 PolarHBondContact O-NZ 3.4Å; E156-K280 VanDerWaalsContact O-NZ 3.11Å |
| 157 | D | 88.7 | Confident | 83.8 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -109.1 | -16.2 | -168.6 | 67.9 | -37.1 | 0 | 0 | 0 | 114.4 | T155 K280 | T155-D157 VanDerWaalsContact C-N 3.28Å; T155-D157 PolarHBondContact O-N 2.59Å; T155-D157 PolarHBondContact OG1-OD1 3.29Å; D157-K280 WeakPolarHBondContact O-CB 3.01Å; D157-K280 WeakPolarHBondContact O-CG 3.29Å; D157-K280 PolarHBondContact O-N 3.32Å |
| 158 | R | 90.4 | Very high | 85.6 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 159.5 | -172 | -66.7 | 176.6 | -170.1 | -96.5 | -10.6 | 114.5 | T155 Y160 E277 F278 | T155-R158 PolarHBondContact N-O 3.36Å; T155-R158 PolarHBondContact OG1-N 2.81Å; T155-R158 PolarHBondContact OG1-O 3.36Å; R158-Y160 HydrophobicContact CB-CE2 3.99Å; R158-E277 IonicContact CZ-OE1 3.59Å; R158-E277 IonicContact NH1-OE1 3.35Å; R158-E277 PolarHBondContact NH1-OE1 3.11Å; R158-F278 CarbonylContact C-O 3.53Å; R158-F278 VanDerWaalsContact CA-O 3.25Å; R158-F278 WeakPolarHBondContact CA-O 2.97Å |
| 159 | Y | 91 | Very high | 87.4 | Confident | 77 Ų | 77 | 62.5 Ų | 62.5 | 30% | 0.302 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.7 | 165.9 | -57.9 | -57.2 | 0 | 0 | 0 | 110.7 | K153 E154 E277 F278 K280 | K153-Y159 WeakPolarHBondContact O-CA 3.49Å; E154-Y159 HydrophobicContact CB-CD1 4Å; E154-Y159 HydrophobicContact CB-CE1 4.22Å; E154-Y159 HydrophobicContact CG-CD1 3.94Å; E154-Y159 HydrophobicContact CG-CE1 3.72Å; E154-Y159 WeakPolarHBondContact OE1-CE1 3.31Å; Y159-E277 CarbonylContact O-C 3.6Å; Y159-E277 VanDerWaalsContact O-CA 3.31Å; Y159-E277 WeakPolarHBondContact O-CA 3.35Å; Y159-F278 PolarHBondContact N-O 3.46Å; Y159-F278 PolarHBondContact O-N 3.1Å; Y159-K280 HydrophobicContact CD2-CG 4.08Å; Y159-K280 HydrophobicContact CE1-CD 3.98Å; Y159-K280 VanDerWaalsContact CE1-CE 3.42Å; Y159-K280 HydrophobicContact CE1-CG 4.15Å; Y159-K280 HydrophobicContact CE2-CD 4.22Å; Y159-K280 HydrophobicContact CE2-CG 3.65Å |
| 160 | Y | 94.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.7 | 176.4 | -59.8 | -90.2 | 0 | 0 | 0 | 110.1 | L152 K153 T155 R158 A184 I191 L194 M195 I275 C276 E277 | L152-Y160 WeakPolarHBondContact CA-O 3.43Å; L152-Y160 WeakPolarHBondContact CD2-O 3.48Å; K153-Y160 PolarHBondContact N-O 3.06Å; K153-Y160 PolarHBondContact O-N 2.77Å; T155-Y160 HydrophobicContact CG2-CD2 4.43Å; T155-Y160 HydrophobicContact CG2-CE2 3.65Å; R158-Y160 HydrophobicContact CB-CE2 3.99Å; Y160-A184 HydrophobicContact CD1-CB 4.02Å; Y160-A184 HydrophobicContact CE1-CB 4.23Å; Y160-I191 HydrophobicContact CE1-CG2 4.2Å; Y160-I191 WeakPolarHBondContact OH-CG2 3.4Å; Y160-L194 HydrophobicContact CD2-CD2 4.07Å; Y160-L194 HydrophobicContact CE2-CD2 4.44Å; Y160-L194 HydrophobicContact CG-CD2 4.44Å; Y160-M195 HydrophobicContact CD1-CG 4.44Å; Y160-M195 HydrophobicContact CD1-SD 4.18Å; Y160-M195 HydrophobicContact CE1-SD 4.27Å; Y160-I275 HydrophobicContact CD1-CG2 4.24Å; Y160-C276 CarbonylContact C-O 3.4Å; Y160-C276 WeakPolarHBondContact CA-O 3.4Å; Y160-E277 HydrophobicContact CD1-CB 3.96Å; Y160-E277 HydrophobicContact CE1-CB 3.86Å |
| 161 | L | 92.8 | Very high | 90.7 | Very high | 27 Ų | 27 | 69.3 Ų | 69.3 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 118.7 | 179.3 | 178.7 | 62.9 | 0 | 0 | 0 | 110.2 | L152 V163 I275 C276 F278 | L152-L161 HydrophobicContact CD2-CB 3.55Å; L152-L161 HydrophobicContact CD2-CD1 3.62Å; L152-L161 HydrophobicContact CD2-CG 4.11Å; L152-L161 HydrophobicContact CG-CD1 4.2Å; L161-V163 HydrophobicContact CD2-CG2 4.21Å; L161-V163 HydrophobicContact CG-CG2 4.16Å; L161-I275 WeakPolarHBondContact O-CA 3.41Å; L161-C276 PolarHBondContact N-O 3.19Å; L161-C276 PolarHBondContact O-N 2.95Å; L161-F278 HydrophobicContact CB-CE2 3.87Å; L161-F278 HydrophobicContact CD2-CE2 4.35Å |
| 162 | L | 93 | Very high | 91.9 | Very high | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.9 | 170.5 | 178.9 | 65.7 | 0 | 0 | 0 | 110.4 | K164 Y198 A202 L204 V207 I275 | L162-K164 HydrophobicContact CD2-CG 4.44Å; L162-K164 HydrophobicContact CG-CG 4.32Å; L162-Y198 HydrophobicContact CB-CD1 4.28Å; L162-Y198 HydrophobicContact CB-CE1 3.52Å; L162-Y198 HydrophobicContact CB-CE2 4.02Å; L162-Y198 WeakPolarHBondContact CB-OH 3.38Å; L162-Y198 HydrophobicContact CD2-CE2 4.33Å; L162-Y198 PolarHBondContact N-OH 2.84Å; L162-A202 HydrophobicContact CD2-CB 3.25Å; L162-L204 HydrophobicContact CD1-CD1 3.8Å; L162-L204 HydrophobicContact CD2-CD1 3.65Å; L162-L204 HydrophobicContact CG-CD1 4.1Å; L162-V207 HydrophobicContact CD1-CG1 3.8Å; L162-I275 HydrophobicContact CD1-CD1 4.44Å; L162-I275 HydrophobicContact CD1-CG1 3.72Å |
| 163 | V | 93.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 105.3 | 178.1 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | L161 E165 F274 | L161-V163 HydrophobicContact CD2-CG2 4.21Å; L161-V163 HydrophobicContact CG-CG2 4.16Å; V163-E165 HydrophobicContact CG1-CB 4.03Å; V163-E165 HydrophobicContact CG1-CG 4.42Å; V163-E165 PolarHBondContact O-N 3.44Å; V163-F274 HydrophobicContact CB-CD1 4.37Å; V163-F274 HydrophobicContact CB-CD2 4Å; V163-F274 HydrophobicContact CB-CE1 4Å; V163-F274 HydrophobicContact CB-CE2 3.61Å; V163-F274 HydrophobicContact CB-CG 4.36Å; V163-F274 HydrophobicContact CB-CZ 3.61Å; V163-F274 HydrophobicContact CG1-CE1 3.81Å; V163-F274 HydrophobicContact CG1-CE2 3.95Å; V163-F274 HydrophobicContact CG1-CZ 3.43Å; V163-F274 VanDerWaalsContact CG1-CZ 3.43Å; V163-F274 HydrophobicContact CG2-CD2 4.16Å; V163-F274 HydrophobicContact CG2-CE2 3.65Å; V163-F274 HydrophobicContact CG2-CZ 4.05Å; V163-F274 PolarHBondContact N-O 3.06Å; V163-F274 PolarHBondContact O-N 3.17Å |
| 164 | K | 92.2 | Very high | 93 | Very high | 120 Ų | 120 | 68.6 Ų | 68.6 | 52% | 0.522 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 38.9 | 177.6 | -55.1 | -168.8 | -175.2 | -166.6 | 0 | 113 | L162 A202 F273 | L162-K164 HydrophobicContact CD2-CG 4.44Å; L162-K164 HydrophobicContact CG-CG 4.32Å; K164-A202 PolarHBondContact NZ-O 3.01Å; K164-F273 VanDerWaalsContact C-CD1 3.43Å; K164-F273 VanDerWaalsContact C-CE1 3.43Å; K164-F273 HydrophobicContact CB-CE1 4.47Å; K164-F273 WeakPolarHBondContact O-CE1 3.48Å |
| 165 | E | 91.5 | Very high | 93.4 | Very high | 90 Ų | 90 | 65.5 Ų | 65.5 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113 | 173.9 | -66.6 | 175.1 | -156.1 | 0 | 0 | 107 | K12 V163 K167 F274 | K12-E165 IonicContact NZ-OE1 2.66Å; K12-E165 PolarHBondContact NZ-OE1 2.59Å; V163-E165 HydrophobicContact CG1-CB 4.03Å; V163-E165 HydrophobicContact CG1-CG 4.42Å; V163-E165 PolarHBondContact O-N 3.44Å; E165-K167 PolarHBondContact O-N 2.69Å; E165-F274 VanDerWaalsContact O-CE1 3.31Å; E165-F274 WeakPolarHBondContact O-CE1 3.42Å |
| 166 | P | 94.6 | Very high | 93.8 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 132.6 | -169.2 | 30.8 | -28.9 | 0 | 0 | 0 | 109.8 | P271 L272 F273 | P166-P271 HydrophobicContact CB-CB 4.39Å; P166-L272 WeakPolarHBondContact CA-O 3.37Å; P166-F273 HydrophobicContact CB-CD1 4.05Å; P166-F273 HydrophobicContact CB-CE1 3.95Å; P166-F273 HydrophobicContact CG-CE1 4.12Å |
| 167 | K | 96.4 | Very high | 94.3 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.3 | -175.5 | -72.5 | -168.3 | 159.8 | -63.9 | 0 | 111.1 | E165 E171 A172 N175 Y208 L272 F274 | E165-K167 PolarHBondContact O-N 2.69Å; K167-E171 HydrophobicContact CB-CB 4.1Å; K167-E171 HydrophobicContact CD-CB 4.14Å; K167-E171 HydrophobicContact CG-CB 4.47Å; K167-E171 IonicContact NZ-OE2 3.43Å; K167-E171 PolarHBondContact NZ-OE2 3.29Å; K167-A172 HydrophobicContact CB-CB 4.17Å; K167-N175 HydrophobicContact CD-CB 4.5Å; K167-Y208 WeakPolarHBondContact O-CE2 3.34Å; K167-L272 PolarHBondContact N-O 3.28Å; K167-L272 PolarHBondContact O-N 2.73Å; K167-F274 HydrophobicContact CB-CD1 4.29Å; K167-F274 HydrophobicContact CB-CE1 3.82Å; K167-F274 HydrophobicContact CD-CE1 3.78Å; K167-F274 HydrophobicContact CD-CZ 3.98Å; K167-F274 HydrophobicContact CG-CE1 3.89Å |
| 168 | K | 97.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | trans | -64.1 | 155.1 | 167 | -59.1 | -176.8 | 169.9 | -168.6 | 0 | 110 | R170 E171 A172 E269 | K168-R170 VanDerWaalsContact C-N 3.33Å; K168-R170 PolarHBondContact O-N 3.39Å; K168-E171 PolarHBondContact O-N 3.41Å; K168-A172 WeakPolarHBondContact O-CB 3.08Å; K168-A172 PolarHBondContact O-N 3.31Å; K168-E269 VanDerWaalsContact CD-OE2 3.3Å; K168-E269 WeakPolarHBondContact CD-OE2 3.46Å; K168-E269 VanDerWaalsContact CE-OE2 3.29Å; K168-E269 WeakPolarHBondContact CE-OE2 3.06Å; K168-E269 IonicContact NZ-OE2 3.67Å; K168-E269 PolarHBondContact NZ-OE2 3.27Å | ||
| 169 | F | 95.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 62.9 Ų | 62.9 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.6 | -46.1 | -174.3 | -176.1 | -95.4 | 0 | 0 | 0 | 113.4 | E171 A172 S173 L183 Y208 V209 Q212 C254 C268 | F169-E171 VanDerWaalsContact C-N 3.34Å; F169-E171 PolarHBondContact O-N 3.06Å; F169-A172 PolarHBondContact O-N 3.14Å; F169-S173 WeakPolarHBondContact O-CB 3.48Å; F169-S173 PolarHBondContact O-N 2.87Å; F169-L183 HydrophobicContact CD2-CD1 4.16Å; F169-L183 HydrophobicContact CE1-CD1 4.48Å; F169-L183 HydrophobicContact CE2-CD1 3.74Å; F169-L183 HydrophobicContact CZ-CD1 3.92Å; F169-Y208 HydrophobicContact CB-CE1 4.3Å; F169-Y208 HydrophobicContact CB-CE2 4.26Å; F169-Y208 AromaticContact CD2-CD1 3.74Å; F169-Y208 HydrophobicContact CD2-CD1 3.74Å; F169-Y208 AromaticContact CD2-CE1 3.96Å; F169-Y208 HydrophobicContact CD2-CE1 3.96Å; F169-Y208 HydrophobicContact CD2-CG 4.09Å; F169-Y208 HydrophobicContact CE2-CD1 4.45Å; F169-V209 WeakPolarHBondContact CE2-O 3.41Å; F169-Q212 HydrophobicContact CE1-CB 4.4Å; F169-Q212 HydrophobicContact CE1-CG 4.36Å; F169-Q212 HydrophobicContact CZ-CB 4.18Å; F169-C254 HydrophobicContact CB-CB 4.38Å; F169-C254 VanDerWaalsContact CB-SG 3.5Å; F169-C254 WeakPolarHBondContact CD1-SG 3.23Å; F169-C254 HydrophobicContact CD2-CB 3.81Å; F169-C254 WeakPolarHBondContact CD2-SG 3.33Å; F169-C254 HydrophobicContact CE2-CB 4.22Å; F169-C254 HydrophobicContact CG-CB 4.11Å; F169-C254 WeakPolarHBondContact CG-SG 3.42Å; F169-C268 HydrophobicContact CB-CB 4.09Å; F169-C268 WeakPolarHBondContact CB-O 3.13Å; F169-C268 PolarHBondContact N-O 2.84Å |
| 170 | R | 95.4 | Very high | 94.5 | Very high | 208 Ų | 208 | 62 Ų | 62 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.4 | -42.1 | 179.1 | -173.4 | 176.3 | -179.9 | 174.6 | 0.5 | 112 | K168 M174 | K168-R170 VanDerWaalsContact C-N 3.33Å; K168-R170 PolarHBondContact O-N 3.39Å; R170-M174 WeakPolarHBondContact O-CG 3.36Å; R170-M174 PolarHBondContact O-N 2.86Å |
| 171 | E | 97.3 | Very high | 94.5 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 177.1 | -68.2 | -176.7 | -149.8 | 0 | 0 | 112.5 | K167 K168 F169 M174 N175 | K167-E171 HydrophobicContact CB-CB 4.1Å; K167-E171 HydrophobicContact CD-CB 4.14Å; K167-E171 HydrophobicContact CG-CB 4.47Å; K167-E171 IonicContact NZ-OE2 3.43Å; K167-E171 PolarHBondContact NZ-OE2 3.29Å; K168-E171 PolarHBondContact O-N 3.41Å; F169-E171 VanDerWaalsContact C-N 3.34Å; F169-E171 PolarHBondContact O-N 3.06Å; E171-M174 PolarHBondContact O-N 3.06Å; E171-N175 WeakPolarHBondContact O-CB 3.33Å; E171-N175 PolarHBondContact O-N 3.1Å |
| 172 | A | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K167 K168 F169 M174 N175 C176 L183 F274 | K167-A172 HydrophobicContact CB-CB 4.17Å; K168-A172 WeakPolarHBondContact O-CB 3.08Å; K168-A172 PolarHBondContact O-N 3.31Å; F169-A172 PolarHBondContact O-N 3.14Å; A172-M174 PolarHBondContact O-N 3.4Å; A172-N175 WeakPolarHBondContact O-CB 3.17Å; A172-N175 PolarHBondContact O-N 3.41Å; A172-N175 VanDerWaalsContact O-N 3.14Å; A172-C176 PolarHBondContact O-N 2.88Å; A172-C176 VanDerWaalsContact O-N 3.1Å; A172-C176 PolarHBondContact O-SG 3.46Å; A172-L183 HydrophobicContact CB-CD2 4.19Å; A172-F274 HydrophobicContact CB-CB 4.06Å; A172-F274 HydrophobicContact CB-CD1 3.58Å; A172-F274 HydrophobicContact CB-CD2 3.97Å; A172-F274 HydrophobicContact CB-CE1 3.93Å; A172-F274 HydrophobicContact CB-CE2 4.27Å; A172-F274 HydrophobicContact CB-CG 3.61Å; A172-F274 HydrophobicContact CB-CZ 4.26Å |
| 173 | S | 96.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 12% | 0.119 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.9 | -48.6 | 173.8 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | F169 N175 C176 K177 | F169-S173 WeakPolarHBondContact O-CB 3.48Å; F169-S173 PolarHBondContact O-N 2.87Å; S173-N175 VanDerWaalsContact C-N 3.31Å; S173-N175 PolarHBondContact O-N 2.99Å; S173-C176 PolarHBondContact O-N 3.05Å; S173-K177 WeakPolarHBondContact O-CG 3.27Å; S173-K177 PolarHBondContact O-N 3.4Å |
| 174 | M | 96.3 | Very high | 95.1 | Very high | 93 Ų | 93 | 61.2 Ų | 61.2 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 176.2 | -71.5 | -57.9 | -63.9 | 0 | 0 | 112.6 | R170 E171 A172 C176 K177 L178 | R170-M174 WeakPolarHBondContact O-CG 3.36Å; R170-M174 PolarHBondContact O-N 2.86Å; E171-M174 PolarHBondContact O-N 3.06Å; A172-M174 PolarHBondContact O-N 3.4Å; M174-C176 PolarHBondContact O-N 3.47Å; M174-K177 PolarHBondContact O-N 2.04Å; M174-K177 HydrophobicContact SD-CD 4.23Å; M174-L178 WeakPolarHBondContact O-CB 3.29Å; M174-L178 VanDerWaalsContact O-CG 3.24Å; M174-L178 WeakPolarHBondContact O-CG 3.26Å; M174-L178 PolarHBondContact O-N 2.99Å |
| 175 | N | 95.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.8 | -161.8 | -78 | 0 | 0 | 0 | 111.7 | K167 E171 A172 S173 R179 F274 | K167-N175 HydrophobicContact CD-CB 4.5Å; E171-N175 WeakPolarHBondContact O-CB 3.33Å; E171-N175 PolarHBondContact O-N 3.1Å; A172-N175 WeakPolarHBondContact O-CB 3.17Å; A172-N175 PolarHBondContact O-N 3.41Å; A172-N175 VanDerWaalsContact O-N 3.14Å; S173-N175 VanDerWaalsContact C-N 3.31Å; S173-N175 PolarHBondContact O-N 2.99Å; N175-R179 WeakPolarHBondContact O-CD 3.37Å; N175-R179 VanDerWaalsContact O-CG 3.29Å; N175-R179 WeakPolarHBondContact O-CG 3.45Å; N175-R179 PolarHBondContact O-N 2.99Å; N175-R179 PolarHBondContact OD1-NE 3.03Å; N175-F274 HydrophobicContact CB-CE2 3.88Å; N175-F274 HydrophobicContact CB-CZ 3.75Å |
| 176 | C | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | A172 S173 M174 L178 R179 G180 G181 A182 C276 | A172-C176 PolarHBondContact O-N 2.88Å; A172-C176 VanDerWaalsContact O-N 3.1Å; A172-C176 PolarHBondContact O-SG 3.46Å; S173-C176 PolarHBondContact O-N 3.05Å; M174-C176 PolarHBondContact O-N 3.47Å; C176-L178 PolarHBondContact O-N 3.02Å; C176-R179 WeakPolarHBondContact O-CB 3.3Å; C176-R179 PolarHBondContact O-N 3.32Å; C176-R179 VanDerWaalsContact O-N 3.08Å; C176-G180 PolarHBondContact O-N 2.62Å; C176-G181 CarbonylContact C-O 3.41Å; C176-G181 CarbonylContact O-C 3.56Å; C176-G181 PolarHBondContact O-N 2.89Å; C176-A182 VanDerWaalsContact CB-C 3.41Å; C176-A182 WeakPolarHBondContact CB-O 3.34Å; C176-C276 WeakPolarHBondContact CA-SG 3.48Å; C176-C276 HydrophobicContact CB-CB 3.71Å; C176-C276 WeakPolarHBondContact CB-SG 3.22Å; C176-C276 WeakPolarHBondContact SG-CA 3.03Å; C176-C276 WeakPolarHBondContact SG-CB 3.18Å; C176-C276 CovalentContact SG-SG 2.04Å; C176-C276 PolarHBondContact SG-SG 3.32Å |
| 177 | K | 95.5 | Very high | 95.4 | Very high | 115 Ų | 115 | 51.5 Ų | 51.5 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 177.5 | -73.1 | 177.4 | -178.8 | -175.5 | 0 | 112.7 | S173 M174 R179 G180 G181 | S173-K177 WeakPolarHBondContact O-CG 3.27Å; S173-K177 PolarHBondContact O-N 3.4Å; M174-K177 PolarHBondContact O-N 2.04Å; M174-K177 HydrophobicContact SD-CD 4.23Å; K177-R179 PolarHBondContact O-N 3.43Å; K177-R179 VanDerWaalsContact O-N 3.17Å; K177-G180 PolarHBondContact O-N 2.79Å; K177-G181 VanDerWaalsContact CA-O 3.26Å; K177-G181 WeakPolarHBondContact CA-O 3.49Å; K177-G181 PolarHBondContact N-O 3.02Å |
| 178 | L | 92.5 | Very high | 95.2 | Very high | 144 Ų | 144 | 52.1 Ų | 52.1 | 75% | 0.754 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.1 | -19.6 | 177.7 | -71.6 | 171.6 | 0 | 0 | 0 | 113.2 | M174 C176 | M174-L178 WeakPolarHBondContact O-CB 3.29Å; M174-L178 VanDerWaalsContact O-CG 3.24Å; M174-L178 WeakPolarHBondContact O-CG 3.26Å; M174-L178 PolarHBondContact O-N 2.99Å; C176-L178 PolarHBondContact O-N 3.02Å |
| 179 | R | 91.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 2 | 174 | -65.9 | 169.6 | -176.8 | -74.8 | -7.5 | 113.2 | N175 C176 K177 F278 | N175-R179 WeakPolarHBondContact O-CD 3.37Å; N175-R179 VanDerWaalsContact O-CG 3.29Å; N175-R179 WeakPolarHBondContact O-CG 3.45Å; N175-R179 PolarHBondContact O-N 2.99Å; N175-R179 PolarHBondContact OD1-NE 3.03Å; C176-R179 WeakPolarHBondContact O-CB 3.3Å; C176-R179 PolarHBondContact O-N 3.32Å; C176-R179 VanDerWaalsContact O-N 3.08Å; K177-R179 PolarHBondContact O-N 3.43Å; K177-R179 VanDerWaalsContact O-N 3.17Å; R179-F278 HydrophobicContact CB-CE1 3.51Å; R179-F278 HydrophobicContact CB-CZ 3.79Å; R179-F278 WeakPolarHBondContact O-CE1 3.43Å |
| 180 | G | 90.6 | Very high | 95 | Very high | 59 Ų | 59 | 56.5 Ų | 56.5 | 61% | 0.608 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 25.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C176 K177 | C176-G180 PolarHBondContact O-N 2.62Å; K177-G180 PolarHBondContact O-N 2.79Å |
| 181 | G | 93.9 | Very high | 95 | Very high | 16 Ų | 16 | 48 Ų | 48 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | trans | -134 | -162.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C176 K177 E277 F278 | C176-G181 CarbonylContact C-O 3.41Å; C176-G181 CarbonylContact O-C 3.56Å; C176-G181 PolarHBondContact O-N 2.89Å; K177-G181 VanDerWaalsContact CA-O 3.26Å; K177-G181 WeakPolarHBondContact CA-O 3.49Å; K177-G181 PolarHBondContact N-O 3.02Å; G181-E277 CarbonylContact C-O 3.51Å; G181-E277 WeakPolarHBondContact CA-O 3.47Å; G181-F278 VanDerWaalsContact CA-CD1 3.48Å | ||
| 182 | A | 97 | Very high | 94.9 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 170.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | C176 A225 C276 E277 | C176-A182 VanDerWaalsContact CB-C 3.41Å; C176-A182 WeakPolarHBondContact CB-O 3.34Å; A182-A225 HydrophobicContact CB-CB 4.47Å; A182-C276 CarbonylContact O-C 3.54Å; A182-C276 VanDerWaalsContact O-CA 3.27Å; A182-C276 WeakPolarHBondContact O-CA 3.49Å; A182-E277 HydrophobicContact CB-CG 4.41Å; A182-E277 PolarHBondContact N-O 2.79Å; A182-E277 PolarHBondContact O-N 3.32Å |
| 183 | L | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 140.2 | 163.9 | -79.4 | 167.3 | 0 | 0 | 0 | 108.9 | F169 A172 M185 A225 F274 | F169-L183 HydrophobicContact CD2-CD1 4.16Å; F169-L183 HydrophobicContact CE1-CD1 4.48Å; F169-L183 HydrophobicContact CE2-CD1 3.74Å; F169-L183 HydrophobicContact CZ-CD1 3.92Å; A172-L183 HydrophobicContact CB-CD2 4.19Å; L183-M185 WeakPolarHBondContact O-CG 3.26Å; L183-M185 PolarHBondContact O-N 2.85Å; L183-A225 HydrophobicContact CB-CB 4.39Å; L183-F274 HydrophobicContact CD2-CB 3.82Å; L183-F274 HydrophobicContact CD2-CD2 3.98Å; L183-F274 HydrophobicContact CD2-CG 4.24Å |
| 184 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -64.8 | 132.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y160 P186 M195 V209 G210 I275 E277 | Y160-A184 HydrophobicContact CD1-CB 4.02Å; Y160-A184 HydrophobicContact CE1-CB 4.23Å; A184-P186 VanDerWaalsContact O-CD 3.32Å; A184-P186 WeakPolarHBondContact O-CD 3.49Å; A184-M195 HydrophobicContact CB-SD 3.5Å; A184-M195 WeakPolarHBondContact CB-SD 3.49Å; A184-V209 WeakPolarHBondContact O-CB 3.29Å; A184-G210 PolarHBondContact O-N 2.75Å; A184-I275 HydrophobicContact CB-CB 3.92Å; A184-I275 HydrophobicContact CB-CG2 3.66Å; A184-I275 WeakPolarHBondContact CB-O 3.11Å; A184-I275 PolarHBondContact N-O 2.86Å; A184-E277 WeakPolarHBondContact CA-OE2 3.39Å; A184-E277 HydrophobicContact CB-CB 4.13Å; A184-E277 HydrophobicContact CB-CG 4.48Å | ||
| 185 | M | 96.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | trans | -110.5 | 99.5 | -173.8 | -64.7 | 176 | -70.7 | 0 | 0 | 109.3 | L183 K187 Y224 A225 D226 E277 | L183-M185 WeakPolarHBondContact O-CG 3.26Å; L183-M185 PolarHBondContact O-N 2.85Å; M185-K187 VanDerWaalsContact C-N 3.26Å; M185-K187 HydrophobicContact CB-CG 4.2Å; M185-K187 PolarHBondContact O-N 2.87Å; M185-Y224 HydrophobicContact CB-CD1 3.7Å; M185-Y224 HydrophobicContact CB-CE1 4.21Å; M185-Y224 HydrophobicContact CB-CG 4.41Å; M185-Y224 HydrophobicContact CG-CD1 3.9Å; M185-Y224 HydrophobicContact CG-CG 4.4Å; M185-Y224 HydrophobicContact SD-CD1 4.48Å; M185-Y224 HydrophobicContact SD-CG 4.4Å; M185-A225 HydrophobicContact CG-CB 4.2Å; M185-A225 HydrophobicContact SD-CB 3.99Å; M185-D226 HydrophobicContact CE-CB 3.84Å; M185-D226 HydrophobicContact SD-CB 3.71Å; M185-D226 PolarHBondContact SD-N 2.97Å; M185-D226 VanDerWaalsContact SD-N 3.36Å; M185-E277 WeakPolarHBondContact CE-OE1 2.75Å; M185-E277 PolarHBondContact N-OE2 2.88Å | ||
| 186 | P | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -68.9 | 78.2 | 176.7 | 24.6 | -31.9 | 0 | 0 | 0 | 111.5 | A184 T188 N192 M195 V209 Y224 F233 W263 | A184-P186 VanDerWaalsContact O-CD 3.32Å; A184-P186 WeakPolarHBondContact O-CD 3.49Å; P186-T188 VanDerWaalsContact C-N 3.35Å; P186-N192 HydrophobicContact CB-CB 4.09Å; P186-M195 HydrophobicContact CB-CE 3.33Å; P186-M195 HydrophobicContact CG-CE 3.88Å; P186-V209 HydrophobicContact CG-CB 4.46Å; P186-Y224 PolarHBondContact O-OH 2.65Å; P186-F233 HydrophobicContact CB-CE1 4.39Å; P186-F233 WeakPolarHBondContact O-CD1 3.48Å; P186-F233 WeakPolarHBondContact O-CE1 3.45Å; P186-W263 HydrophobicContact CB-CH2 4.43Å; P186-W263 HydrophobicContact CB-CZ2 3.66Å; P186-W263 HydrophobicContact CG-CH2 3.76Å; P186-W263 HydrophobicContact CG-CZ2 3.23Å | ||
| 187 | K | 93.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 51 Ų | 51 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | trans | -80.5 | -14.9 | -178.5 | -60.6 | -164.6 | -176.6 | -163 | 0 | 114.1 | M185 Y224 D226 T228 | M185-K187 VanDerWaalsContact C-N 3.26Å; M185-K187 HydrophobicContact CB-CG 4.2Å; M185-K187 PolarHBondContact O-N 2.87Å; K187-Y224 HydrophobicContact CG-CE1 4.2Å; K187-Y224 HydrophobicContact CG-CE2 4.3Å; K187-D226 IonicContact NZ-OD1 2.86Å; K187-D226 IonicContact NZ-OD2 2.71Å; K187-D226 PolarHBondContact NZ-OD2 3.35Å; K187-T228 PolarHBondContact NZ-OG1 3.39Å | ||
| 188 | T | 93.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -138.1 | 157.5 | -178.4 | 70.4 | 0 | 0 | 0 | 0 | 111 | P186 N190 I191 N192 | P186-T188 VanDerWaalsContact C-N 3.35Å; T188-N190 VanDerWaalsContact C-N 3.27Å; T188-N190 PolarHBondContact O-N 2.8Å; T188-I191 HydrophobicContact CG2-CD1 4.41Å; T188-I191 PolarHBondContact O-N 3.02Å; T188-I191 WeakPolarHBondContact OG1-CD1 3.43Å; T188-I191 VanDerWaalsContact OG1-CG1 3.31Å; T188-I191 WeakPolarHBondContact OG1-CG1 3.18Å; T188-I191 PolarHBondContact OG1-N 3.23Å; T188-N192 WeakPolarHBondContact O-CB 3.48Å; T188-N192 PolarHBondContact O-N 2.88Å |
| 189 | N | 93.9 | Very high | 95.1 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 34% | 0.342 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58 | -39 | 176.5 | -171 | 20.6 | 0 | 0 | 0 | 112.5 | N192 R193 F233 | N189-N192 PolarHBondContact O-N 2.87Å; N189-R193 PolarHBondContact ND2-NH2 3.28Å; N189-R193 WeakPolarHBondContact O-CB 3.27Å; N189-R193 WeakPolarHBondContact O-CG 3.47Å; N189-R193 PolarHBondContact O-N 2.85Å; N189-R193 PolarHBondContact OD1-NE 2.89Å; N189-F233 VanDerWaalsContact CA-CZ 3.45Å; N189-F233 HydrophobicContact CB-CD2 4.39Å; N189-F233 HydrophobicContact CB-CE2 3.64Å; N189-F233 HydrophobicContact CB-CZ 4.19Å |
| 190 | N | 94 | Very high | 95.3 | Very high | 124 Ų | 124 | 39.8 Ų | 39.8 | 66% | 0.663 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.4 | -44.2 | 179.3 | -65.6 | -11.3 | 0 | 0 | 0 | 111.5 | T188 L194 | T188-N190 VanDerWaalsContact C-N 3.27Å; T188-N190 PolarHBondContact O-N 2.8Å; N190-L194 WeakPolarHBondContact O-CB 3.31Å; N190-L194 PolarHBondContact O-N 2.94Å |
| 191 | I | 94.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 177.1 | -65.3 | 168.5 | 0 | 0 | 0 | 110.3 | Y160 T188 L194 M195 | Y160-I191 HydrophobicContact CE1-CG2 4.2Å; Y160-I191 WeakPolarHBondContact OH-CG2 3.4Å; T188-I191 HydrophobicContact CG2-CD1 4.41Å; T188-I191 PolarHBondContact O-N 3.02Å; T188-I191 WeakPolarHBondContact OG1-CD1 3.43Å; T188-I191 VanDerWaalsContact OG1-CG1 3.31Å; T188-I191 WeakPolarHBondContact OG1-CG1 3.18Å; T188-I191 PolarHBondContact OG1-N 3.23Å; I191-L194 PolarHBondContact O-N 2.61Å; I191-M195 HydrophobicContact CG2-CE 3.86Å; I191-M195 WeakPolarHBondContact O-CG 3.32Å; I191-M195 PolarHBondContact O-N 2.66Å |
| 192 | N | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 177.8 | -171 | 68.7 | 0 | 0 | 0 | 112.5 | P186 T188 N189 M195 A196 F233 L257 G261 W263 | P186-N192 HydrophobicContact CB-CB 4.09Å; T188-N192 WeakPolarHBondContact O-CB 3.48Å; T188-N192 PolarHBondContact O-N 2.88Å; N189-N192 PolarHBondContact O-N 2.87Å; N192-M195 PolarHBondContact O-N 3.11Å; N192-A196 PolarHBondContact O-N 3.47Å; N192-F233 HydrophobicContact CB-CE1 3.7Å; N192-F233 HydrophobicContact CB-CZ 3.5Å; N192-L257 WeakPolarHBondContact OD1-CD1 3.33Å; N192-G261 PolarHBondContact ND2-O 2.82Å; N192-W263 PolarHBondContact OD1-NE1 2.81Å |
| 193 | R | 96.1 | Very high | 95.2 | Very high | 150 Ų | 150 | 45.7 Ų | 45.7 | 57% | 0.566 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 175.8 | -73.7 | 179 | -178.5 | 179.8 | -2.4 | 111.9 | N189 M195 A196 D197 | N189-R193 PolarHBondContact ND2-NH2 3.28Å; N189-R193 WeakPolarHBondContact O-CB 3.27Å; N189-R193 WeakPolarHBondContact O-CG 3.47Å; N189-R193 PolarHBondContact O-N 2.85Å; N189-R193 PolarHBondContact OD1-NE 2.89Å; R193-M195 PolarHBondContact O-N 3.43Å; R193-A196 WeakPolarHBondContact O-CB 2.95Å; R193-A196 PolarHBondContact O-N 2.7Å; R193-A196 VanDerWaalsContact O-N 3.14Å; R193-D197 PolarHBondContact O-N 3.02Å |
| 194 | L | 95.6 | Very high | 95 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.7 | -42.6 | 175.7 | 178.3 | 154.8 | 0 | 0 | 0 | 111.6 | K153 T155 Y160 N190 I191 Y198 | K153-L194 HydrophobicContact CB-CD2 4.01Å; K153-L194 HydrophobicContact CG-CD2 4.49Å; T155-L194 HydrophobicContact CG2-CD1 3.68Å; Y160-L194 HydrophobicContact CD2-CD2 4.07Å; Y160-L194 HydrophobicContact CE2-CD2 4.44Å; Y160-L194 HydrophobicContact CG-CD2 4.44Å; N190-L194 WeakPolarHBondContact O-CB 3.31Å; N190-L194 PolarHBondContact O-N 2.94Å; I191-L194 PolarHBondContact O-N 2.61Å; L194-Y198 VanDerWaalsContact O-CB 3.3Å; L194-Y198 WeakPolarHBondContact O-CB 3.39Å; L194-Y198 PolarHBondContact O-N 2.94Å |
| 195 | M | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.7 | -41 | 176.9 | -71.6 | -169.3 | -65.2 | 0 | 0 | 112.4 | Y160 A184 P186 I191 N192 R193 D197 Y198 I199 L257 I275 | Y160-M195 HydrophobicContact CD1-CG 4.44Å; Y160-M195 HydrophobicContact CD1-SD 4.18Å; Y160-M195 HydrophobicContact CE1-SD 4.27Å; A184-M195 HydrophobicContact CB-SD 3.5Å; A184-M195 WeakPolarHBondContact CB-SD 3.49Å; P186-M195 HydrophobicContact CB-CE 3.33Å; P186-M195 HydrophobicContact CG-CE 3.88Å; I191-M195 HydrophobicContact CG2-CE 3.86Å; I191-M195 WeakPolarHBondContact O-CG 3.32Å; I191-M195 PolarHBondContact O-N 2.66Å; N192-M195 PolarHBondContact O-N 3.11Å; R193-M195 PolarHBondContact O-N 3.43Å; M195-D197 PolarHBondContact O-N 3.39Å; M195-Y198 WeakPolarHBondContact O-CB 3.32Å; M195-Y198 PolarHBondContact O-N 3.21Å; M195-Y198 VanDerWaalsContact O-N 3.14Å; M195-I199 WeakPolarHBondContact O-CD1 3.48Å; M195-I199 WeakPolarHBondContact O-CG1 3.25Å; M195-I199 PolarHBondContact O-N 3.01Å; M195-L257 HydrophobicContact CB-CD2 3.55Å; M195-L257 HydrophobicContact CE-CD2 4.11Å; M195-I275 HydrophobicContact CB-CD1 4.05Å; M195-I275 HydrophobicContact CG-CD1 4.12Å; M195-I275 HydrophobicContact SD-CD1 4.22Å; M195-I275 HydrophobicContact SD-CG2 4.31Å |
| 196 | A | 97 | Very high | 94.9 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | N192 R193 Y198 I199 S200 | N192-A196 PolarHBondContact O-N 3.47Å; R193-A196 WeakPolarHBondContact O-CB 2.95Å; R193-A196 PolarHBondContact O-N 2.7Å; R193-A196 VanDerWaalsContact O-N 3.14Å; A196-Y198 VanDerWaalsContact C-N 3.27Å; A196-Y198 PolarHBondContact O-N 3.16Å; A196-I199 WeakPolarHBondContact O-CB 2.93Å; A196-I199 PolarHBondContact O-N 3.21Å; A196-S200 WeakPolarHBondContact O-CB 3.31Å; A196-S200 PolarHBondContact O-N 3.36Å |
| 197 | D | 95.7 | Very high | 95.1 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.3 | -71.2 | -18.3 | 0 | 0 | 0 | 111.4 | R193 M195 S200 Q201 | R193-D197 PolarHBondContact O-N 3.02Å; M195-D197 PolarHBondContact O-N 3.39Å; D197-S200 PolarHBondContact O-N 3.14Å; D197-Q201 VanDerWaalsContact O-CB 3.29Å; D197-Q201 WeakPolarHBondContact O-CB 3.22Å; D197-Q201 WeakPolarHBondContact O-CG 3.29Å; D197-Q201 PolarHBondContact O-N 3.04Å |
| 198 | Y | 94.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 52 Ų | 52 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 178.1 | -172.7 | -160.8 | 0 | 0 | 0 | 112.2 | G151 K153 L162 L194 M195 A196 A202 I275 | G151-Y198 WeakPolarHBondContact O-CE2 3.47Å; G151-Y198 PolarHBondContact O-OH 3.12Å; K153-Y198 HydrophobicContact CB-CD1 4.25Å; K153-Y198 HydrophobicContact CB-CE1 4.37Å; K153-Y198 HydrophobicContact CD-CD2 4.37Å; K153-Y198 HydrophobicContact CD-CG 4.48Å; K153-Y198 HydrophobicContact CG-CD1 3.62Å; K153-Y198 HydrophobicContact CG-CD2 3.7Å; K153-Y198 HydrophobicContact CG-CE1 3.92Å; K153-Y198 HydrophobicContact CG-CE2 4Å; K153-Y198 HydrophobicContact CG-CG 3.51Å; L162-Y198 HydrophobicContact CB-CD1 4.28Å; L162-Y198 HydrophobicContact CB-CE1 3.52Å; L162-Y198 HydrophobicContact CB-CE2 4.02Å; L162-Y198 WeakPolarHBondContact CB-OH 3.38Å; L162-Y198 HydrophobicContact CD2-CE2 4.33Å; L162-Y198 PolarHBondContact N-OH 2.84Å; L194-Y198 VanDerWaalsContact O-CB 3.3Å; L194-Y198 WeakPolarHBondContact O-CB 3.39Å; L194-Y198 PolarHBondContact O-N 2.94Å; M195-Y198 WeakPolarHBondContact O-CB 3.32Å; M195-Y198 PolarHBondContact O-N 3.21Å; M195-Y198 VanDerWaalsContact O-N 3.14Å; A196-Y198 VanDerWaalsContact C-N 3.27Å; A196-Y198 PolarHBondContact O-N 3.16Å; Y198-A202 VanDerWaalsContact O-CB 3.22Å; Y198-A202 WeakPolarHBondContact O-CB 3.17Å; Y198-A202 PolarHBondContact O-N 3.13Å; Y198-A202 VanDerWaalsContact O-N 3.12Å; Y198-I275 HydrophobicContact CD1-CD1 4.4Å |
| 199 | I | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 174.2 | -63.7 | 159.8 | 0 | 0 | 0 | 109.6 | M195 A196 A202 G203 L204 V207 L257 N259 I275 | M195-I199 WeakPolarHBondContact O-CD1 3.48Å; M195-I199 WeakPolarHBondContact O-CG1 3.25Å; M195-I199 PolarHBondContact O-N 3.01Å; A196-I199 WeakPolarHBondContact O-CB 2.93Å; A196-I199 PolarHBondContact O-N 3.21Å; I199-A202 PolarHBondContact O-N 2.9Å; I199-G203 PolarHBondContact O-N 3.15Å; I199-L204 HydrophobicContact CG2-CB 3.7Å; I199-L204 WeakPolarHBondContact CG2-O 3.17Å; I199-L204 PolarHBondContact O-N 3.45Å; I199-V207 HydrophobicContact CD1-CG1 4.4Å; I199-V207 HydrophobicContact CD1-CG2 3.43Å; I199-V207 VanDerWaalsContact CD1-CG2 3.43Å; I199-V207 HydrophobicContact CG1-CG1 3.98Å; I199-V207 HydrophobicContact CG1-CG2 3.78Å; I199-V207 HydrophobicContact CG2-CG1 4.37Å; I199-L257 HydrophobicContact CD1-CB 4.27Å; I199-L257 HydrophobicContact CD1-CD2 3.8Å; I199-L257 HydrophobicContact CD1-CG 3.78Å; I199-N259 HydrophobicContact CB-CB 4.34Å; I199-N259 HydrophobicContact CG2-CB 3.79Å; I199-I275 HydrophobicContact CD1-CD1 4.26Å; I199-I275 HydrophobicContact CG1-CD1 3.99Å |
| 200 | S | 95.8 | Very high | 95.6 | Very high | 66 Ų | 66 | 46 Ų | 46 | 46% | 0.462 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -51.1 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | A196 D197 A202 G203 | A196-S200 WeakPolarHBondContact O-CB 3.31Å; A196-S200 PolarHBondContact O-N 3.36Å; D197-S200 PolarHBondContact O-N 3.14Å; S200-A202 PolarHBondContact O-N 3.06Å; S200-A202 VanDerWaalsContact O-N 3.16Å; S200-G203 PolarHBondContact O-N 3.02Å |
| 201 | Q | 93.1 | Very high | 95.6 | Very high | 129 Ų | 129 | 40 Ų | 40 | 60% | 0.603 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.9 | -26.8 | 177.1 | -72.2 | 168.5 | 26.5 | 0 | 0 | 112.8 | D197 G203 | D197-Q201 VanDerWaalsContact O-CB 3.29Å; D197-Q201 WeakPolarHBondContact O-CB 3.22Å; D197-Q201 WeakPolarHBondContact O-CG 3.29Å; D197-Q201 PolarHBondContact O-N 3.04Å; Q201-G203 VanDerWaalsContact C-N 3.27Å |
| 202 | A | 91.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L162 K164 Y198 I199 S200 L204 | L162-A202 HydrophobicContact CD2-CB 3.25Å; K164-A202 PolarHBondContact NZ-O 3.01Å; Y198-A202 VanDerWaalsContact O-CB 3.22Å; Y198-A202 WeakPolarHBondContact O-CB 3.17Å; Y198-A202 PolarHBondContact O-N 3.13Å; Y198-A202 VanDerWaalsContact O-N 3.12Å; I199-A202 PolarHBondContact O-N 2.9Å; S200-A202 PolarHBondContact O-N 3.06Å; S200-A202 VanDerWaalsContact O-N 3.16Å; A202-L204 VanDerWaalsContact C-N 3.31Å; A202-L204 HydrophobicContact CB-CD1 4.4Å; A202-L204 HydrophobicContact CB-CG 4.14Å |
| 203 | G | 94.4 | Very high | 95.1 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 71% | 0.711 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 24.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I199 S200 Q201 | I199-G203 PolarHBondContact O-N 3.15Å; S200-G203 PolarHBondContact O-N 3.02Å; Q201-G203 VanDerWaalsContact C-N 3.27Å |
| 204 | L | 95.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 12% | 0.12 | 21% | 0.21 | C | C | . | . | trans | -102.3 | 157.7 | -179.8 | -59.7 | -174.7 | 0 | 0 | 0 | 110.7 | L162 I199 A202 V207 F273 | L162-L204 HydrophobicContact CD1-CD1 3.8Å; L162-L204 HydrophobicContact CD2-CD1 3.65Å; L162-L204 HydrophobicContact CG-CD1 4.1Å; I199-L204 HydrophobicContact CG2-CB 3.7Å; I199-L204 WeakPolarHBondContact CG2-O 3.17Å; I199-L204 PolarHBondContact O-N 3.45Å; A202-L204 VanDerWaalsContact C-N 3.31Å; A202-L204 HydrophobicContact CB-CD1 4.4Å; A202-L204 HydrophobicContact CB-CG 4.14Å; L204-V207 HydrophobicContact CD1-CG1 3.99Å; L204-F273 HydrophobicContact CD1-CB 4.31Å; L204-F273 HydrophobicContact CD1-CD2 3.73Å; L204-F273 HydrophobicContact CD1-CE2 4.5Å; L204-F273 HydrophobicContact CD1-CG 4.37Å; L204-F273 HydrophobicContact CD2-CD2 3.58Å; L204-F273 HydrophobicContact CD2-CE2 3.55Å; L204-F273 HydrophobicContact CG-CD2 4.27Å | ||
| 205 | T | 95.5 | Very high | 93.5 | Very high | 87 Ų | 87 | 38 Ų | 38 | 53% | 0.534 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -101.7 | -35.6 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | L258 N259 | T205-L258 CarbonylContact O-C 3.58Å; T205-L258 WeakPolarHBondContact O-CA 3.37Å; T205-N259 PolarHBondContact O-N 2.82Å |
| 206 | R | 95.9 | Very high | 92.2 | Very high | 110 Ų | 110 | 45.7 Ų | 45.7 | 42% | 0.415 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 153.1 | -175.9 | 68.6 | -166.5 | -169.5 | -101.8 | -3.4 | 113.1 | E256 L257 L258 | R206-E256 VanDerWaalsContact CD-OE2 3.23Å; R206-E256 WeakPolarHBondContact CD-OE2 3.4Å; R206-E256 IonicContact NE-OE2 2.69Å; R206-E256 PolarHBondContact NE-OE2 3.29Å; R206-L257 VanDerWaalsContact CA-O 3.27Å; R206-L257 WeakPolarHBondContact CA-O 3.48Å; R206-L258 HydrophobicContact CB-CD2 3.54Å |
| 207 | V | 98.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.2 | 179.6 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | L162 I199 L204 E256 L257 F273 I275 | L162-V207 HydrophobicContact CD1-CG1 3.8Å; I199-V207 HydrophobicContact CD1-CG1 4.4Å; I199-V207 HydrophobicContact CD1-CG2 3.43Å; I199-V207 VanDerWaalsContact CD1-CG2 3.43Å; I199-V207 HydrophobicContact CG1-CG1 3.98Å; I199-V207 HydrophobicContact CG1-CG2 3.78Å; I199-V207 HydrophobicContact CG2-CG1 4.37Å; L204-V207 HydrophobicContact CD1-CG1 3.99Å; V207-E256 CarbonylContact O-C 3.57Å; V207-E256 VanDerWaalsContact O-CA 3.24Å; V207-E256 WeakPolarHBondContact O-CA 3.3Å; V207-L257 HydrophobicContact CG2-CB 4.37Å; V207-L257 PolarHBondContact N-O 2.03Å; V207-L257 PolarHBondContact O-N 3.37Å; V207-F273 CarbonylContact C-O 3.49Å; V207-F273 VanDerWaalsContact CA-O 3.26Å; V207-F273 WeakPolarHBondContact CA-O 3.45Å; V207-F273 WeakPolarHBondContact CB-O 3.49Å; V207-F273 HydrophobicContact CG1-CB 4.15Å; V207-I275 HydrophobicContact CG2-CD1 3.81Å; V207-I275 HydrophobicContact CG2-CG1 3.89Å |
| 208 | Y | 98.2 | Very high | 89 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 139.4 | 166.9 | -81.1 | -53.8 | 0 | 0 | 0 | 112.1 | K167 F169 C254 V266 V267 C268 T270 L272 F273 I275 | K167-Y208 WeakPolarHBondContact O-CE2 3.34Å; F169-Y208 HydrophobicContact CB-CE1 4.3Å; F169-Y208 HydrophobicContact CB-CE2 4.26Å; F169-Y208 AromaticContact CD2-CD1 3.74Å; F169-Y208 HydrophobicContact CD2-CD1 3.74Å; F169-Y208 AromaticContact CD2-CE1 3.96Å; F169-Y208 HydrophobicContact CD2-CE1 3.96Å; F169-Y208 HydrophobicContact CD2-CG 4.09Å; F169-Y208 HydrophobicContact CE2-CD1 4.45Å; Y208-C254 HydrophobicContact CD1-CB 4.48Å; Y208-C254 HydrophobicContact CE1-CB 3.83Å; Y208-V266 HydrophobicContact CD1-CG1 4.22Å; Y208-V266 HydrophobicContact CE1-CG1 3.43Å; Y208-V266 VanDerWaalsContact CE1-CG1 3.43Å; Y208-V267 PolarHBondContact OH-O 3.29Å; Y208-C268 PolarHBondContact OH-O 2.76Å; Y208-T270 VanDerWaalsContact CE2-O 3.27Å; Y208-T270 WeakPolarHBondContact CE2-O 3.41Å; Y208-T270 PolarHBondContact OH-O 2.57Å; Y208-L272 HydrophobicContact CD1-CD1 4Å; Y208-L272 HydrophobicContact CD2-CB 3.6Å; Y208-L272 HydrophobicContact CD2-CD1 4.13Å; Y208-L272 HydrophobicContact CD2-CG 4.2Å; Y208-L272 HydrophobicContact CE1-CD1 3.8Å; Y208-L272 HydrophobicContact CE2-CB 3.66Å; Y208-L272 HydrophobicContact CE2-CD1 3.91Å; Y208-L272 HydrophobicContact CE2-CG 3.84Å; Y208-L272 HydrophobicContact CG-CB 4.22Å; Y208-L272 HydrophobicContact CG-CD1 4.14Å; Y208-F273 PolarHBondContact N-O 2.94Å; Y208-I275 PolarHBondContact O-N 2.71Å |
| 209 | V | 97.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 163 | 165.9 | -70.9 | 0 | 0 | 0 | 0 | 110 | F169 A184 P186 V211 V255 L257 | F169-V209 WeakPolarHBondContact CE2-O 3.41Å; A184-V209 WeakPolarHBondContact O-CB 3.29Å; P186-V209 HydrophobicContact CG-CB 4.46Å; V209-V211 HydrophobicContact CG2-CB 4.49Å; V209-V211 HydrophobicContact CG2-CG2 4.2Å; V209-V211 PolarHBondContact O-N 3.36Å; V209-V255 HydrophobicContact CG2-CB 4.22Å; V209-V255 HydrophobicContact CG2-CG1 3.97Å; V209-V255 PolarHBondContact N-O 2.87Å; V209-L257 HydrophobicContact CG1-CB 3.52Å; V209-L257 HydrophobicContact CG1-CD2 3.86Å; V209-L257 HydrophobicContact CG1-CG 4.33Å; V209-L257 HydrophobicContact CG2-CB 4.29Å |
| 210 | G | 96.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 53.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A184 Y224 A225 | A184-G210 PolarHBondContact O-N 2.75Å; G210-Y224 CarbonylContact O-C 3.48Å; G210-Y224 VanDerWaalsContact O-CA 3.24Å; G210-Y224 WeakPolarHBondContact O-CA 3.37Å; G210-A225 PolarHBondContact O-N 3Å |
| 211 | V | 94.3 | Very high | 86 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.9 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | V209 Y222 I223 Y224 V255 W263 | V209-V211 HydrophobicContact CG2-CB 4.49Å; V209-V211 HydrophobicContact CG2-CG2 4.2Å; V209-V211 PolarHBondContact O-N 3.36Å; V211-Y222 HydrophobicContact CG1-CD1 4.11Å; V211-I223 WeakPolarHBondContact CA-O 3.24Å; V211-Y224 HydrophobicContact CG2-CD1 3.71Å; V211-Y224 HydrophobicContact CG2-CE1 3.68Å; V211-V255 HydrophobicContact CB-CB 3.9Å; V211-V255 HydrophobicContact CB-CG1 4.42Å; V211-V255 HydrophobicContact CB-CG2 3.82Å; V211-V255 HydrophobicContact CG1-CB 4.34Å; V211-V255 HydrophobicContact CG1-CG2 3.72Å; V211-V255 PolarHBondContact O-N 3.01Å; V211-W263 HydrophobicContact CG1-CZ3 4.37Å; V211-W263 HydrophobicContact CG2-CH2 4.35Å; V211-W263 HydrophobicContact CG2-CZ3 4.09Å |
| 212 | Q | 91.7 | Very high | 85.9 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 132.5 | -178.5 | -166.6 | 171.8 | 15.1 | 0 | 0 | 109.6 | F169 Y222 I223 V252 S253 | F169-Q212 HydrophobicContact CE1-CB 4.4Å; F169-Q212 HydrophobicContact CE1-CG 4.36Å; F169-Q212 HydrophobicContact CZ-CB 4.18Å; Q212-Y222 WeakPolarHBondContact O-CA 3.46Å; Q212-I223 HydrophobicContact CB-CG1 4.49Å; Q212-I223 PolarHBondContact N-O 3.05Å; Q212-I223 PolarHBondContact O-N 2.82Å; Q212-V252 HydrophobicContact CG-CG1 3.81Å; Q212-S253 CarbonylContact C-O 3.52Å; Q212-S253 WeakPolarHBondContact CA-O 3.45Å; Q212-S253 WeakPolarHBondContact CG-O 3.12Å |
| 213 | G | 87.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | S221 Y222 V252 S253 | G213-S221 CarbonylContact C-O 3.55Å; G213-S221 WeakPolarHBondContact CA-O 3.02Å; G213-Y222 VanDerWaalsContact CA-CD1 3.44Å; G213-V252 VanDerWaalsContact O-CA 3.32Å; G213-V252 WeakPolarHBondContact O-CA 3.49Å; G213-S253 PolarHBondContact N-O 3.05Å; G213-S253 PolarHBondContact O-N 3.42Å |
| 214 | L | 81.4 | Confident | 85.9 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.7 | 170.8 | -68.3 | 171.2 | 0 | 0 | 0 | 108.2 | S221 I223 V252 | L214-S221 PolarHBondContact N-O 3.36Å; L214-S221 PolarHBondContact O-N 2.8Å; L214-S221 PolarHBondContact O-OG 2.8Å; L214-I223 HydrophobicContact CD1-CD1 3.52Å; L214-I223 HydrophobicContact CD1-CG1 3.99Å; L214-I223 HydrophobicContact CD1-CG2 4.47Å; L214-I223 HydrophobicContact CG-CD1 4.29Å; L214-I223 HydrophobicContact CG-CG1 4.41Å; L214-V252 HydrophobicContact CD2-CG2 4.19Å |
| 215 | F | 77.3 | Confident | 85.8 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 115.8 | 178.1 | -63.4 | -93.7 | 0 | 0 | 0 | 108.8 | G220 N251 | F215-G220 VanDerWaalsContact CE1-CA 3.49Å; F215-N251 PolarHBondContact N-O 2.89Å; F215-N251 WeakPolarHBondContact O-CB 3.33Å |
| 216 | K | 68.4 | Low | 85.6 | Confident | 162 Ų | 162 | 53.3 Ų | 53.3 | 70% | 0.704 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.6 | 170.8 | -71.7 | -172.8 | 176.8 | -175.7 | 0 | 107.9 | G218 I219 | K216-G218 PolarHBondContact O-N 2.88Å; K216-G218 VanDerWaalsContact O-N 3.11Å; K216-I219 PolarHBondContact N-O 2.59Å; K216-I219 VanDerWaalsContact N-O 3.1Å; K216-I219 PolarHBondContact O-N 3.13Å |
| 217 | D | 63.9 | Low | 85.4 | Confident | 166 Ų | 166 | 52.6 Ų | 52.6 | 89% | 0.888 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.6 | 173.3 | -48.1 | -42 | 0 | 0 | 0 | 114.2 | I219 | D217-I219 PolarHBondContact O-N 3.5Š|
| 218 | G | 61.7 | Low | 85.1 | Confident | 79 Ų | 79 | 55 Ų | 55 | 81% | 0.814 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -7.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K216 | K216-G218 PolarHBondContact O-N 2.88Å; K216-G218 VanDerWaalsContact O-N 3.11Å |
| 219 | I | 66.3 | Low | 84.7 | Confident | 133 Ų | 133 | 58.5 Ų | 58.5 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 111.2 | 174.5 | -56.2 | 176.7 | 0 | 0 | 0 | 108.9 | K216 D217 | K216-I219 PolarHBondContact N-O 2.59Å; K216-I219 VanDerWaalsContact N-O 3.1Å; K216-I219 PolarHBondContact O-N 3.13Å; D217-I219 PolarHBondContact O-N 3.5Å |
| 220 | G | 72.8 | Confident | 84.3 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F215 | F215-G220 VanDerWaalsContact CE1-CA 3.49Å |
| 221 | S | 85.8 | Confident | 83.4 | Confident | 59 Ų | 59 | 70 Ų | 70 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.3 | 169.6 | 65.4 | 0 | 0 | 0 | 0 | 109.9 | G213 L214 | G213-S221 CarbonylContact C-O 3.55Å; G213-S221 WeakPolarHBondContact CA-O 3.02Å; L214-S221 PolarHBondContact N-O 3.36Å; L214-S221 PolarHBondContact O-N 2.8Å; L214-S221 PolarHBondContact O-OG 2.8Å |
| 222 | Y | 89.2 | Confident | 82.5 | Confident | 36 Ų | 36 | 79.2 Ų | 79.2 | 14% | 0.141 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.5 | 174 | -69.2 | -85.8 | 0 | 0 | 0 | 110.5 | V211 Q212 G213 L230 W236 V255 K265 | V211-Y222 HydrophobicContact CG1-CD1 4.11Å; Q212-Y222 WeakPolarHBondContact O-CA 3.46Å; G213-Y222 VanDerWaalsContact CA-CD1 3.44Å; Y222-L230 VanDerWaalsContact CB-CD2 3.49Å; Y222-L230 HydrophobicContact CD2-CD2 4.09Å; Y222-L230 HydrophobicContact CG-CD2 3.94Å; Y222-L230 WeakPolarHBondContact O-CB 3.46Å; Y222-L230 PolarHBondContact O-N 2.96Å; Y222-W236 AromaticContact CD1-CH2 3.97Å; Y222-W236 HydrophobicContact CD1-CH2 3.97Å; Y222-W236 HydrophobicContact CD1-CZ2 4.06Å; Y222-W236 AromaticContact CD2-CZ2 3.98Å; Y222-W236 HydrophobicContact CD2-CZ2 3.98Å; Y222-W236 AromaticContact CE1-CH2 3.46Å; Y222-W236 HydrophobicContact CE1-CH2 3.46Å; Y222-W236 VanDerWaalsContact CE1-CH2 3.46Å; Y222-W236 AromaticContact CE1-CZ2 3.81Å; Y222-W236 HydrophobicContact CE1-CZ2 3.81Å; Y222-W236 HydrophobicContact CE2-CH2 4.15Å; Y222-W236 AromaticContact CE2-CZ2 3.71Å; Y222-W236 HydrophobicContact CE2-CZ2 3.71Å; Y222-W236 HydrophobicContact CG-CZ2 4.14Å; Y222-W236 AromaticContact CZ-CH2 3.55Å; Y222-W236 AromaticContact CZ-CZ2 3.61Å; Y222-V255 HydrophobicContact CD1-CG2 4.23Å; Y222-V255 HydrophobicContact CE1-CG2 4.11Å; Y222-K265 WeakPolarHBondContact OH-CD 3.32Å; Y222-K265 WeakPolarHBondContact OH-CE 3.37Å |
| 223 | I | 92.1 | Very high | 82.2 | Confident | 43 Ų | 43 | 78.5 Ų | 78.5 | 22% | 0.221 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.5 | 176.1 | 59.4 | 163 | 0 | 0 | 0 | 110.1 | V211 Q212 L214 | V211-I223 WeakPolarHBondContact CA-O 3.24Å; Q212-I223 HydrophobicContact CB-CG1 4.49Å; Q212-I223 PolarHBondContact N-O 3.05Å; Q212-I223 PolarHBondContact O-N 2.82Å; L214-I223 HydrophobicContact CD1-CD1 3.52Å; L214-I223 HydrophobicContact CD1-CG1 3.99Å; L214-I223 HydrophobicContact CD1-CG2 4.47Å; L214-I223 HydrophobicContact CG-CD1 4.29Å; L214-I223 HydrophobicContact CG-CG1 4.41Å |
| 224 | Y | 94.6 | Very high | 82.1 | Confident | 12 Ų | 12 | 80.3 Ų | 80.3 | 5% | 0.047 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 164 | 170.9 | -73.4 | -71.8 | 0 | 0 | 0 | 111.3 | M185 P186 K187 G210 V211 D226 S227 T228 L230 | M185-Y224 HydrophobicContact CB-CD1 3.7Å; M185-Y224 HydrophobicContact CB-CE1 4.21Å; M185-Y224 HydrophobicContact CB-CG 4.41Å; M185-Y224 HydrophobicContact CG-CD1 3.9Å; M185-Y224 HydrophobicContact CG-CG 4.4Å; M185-Y224 HydrophobicContact SD-CD1 4.48Å; M185-Y224 HydrophobicContact SD-CG 4.4Å; P186-Y224 PolarHBondContact O-OH 2.65Å; K187-Y224 HydrophobicContact CG-CE1 4.2Å; K187-Y224 HydrophobicContact CG-CE2 4.3Å; G210-Y224 CarbonylContact O-C 3.48Å; G210-Y224 VanDerWaalsContact O-CA 3.24Å; G210-Y224 WeakPolarHBondContact O-CA 3.37Å; V211-Y224 HydrophobicContact CG2-CD1 3.71Å; V211-Y224 HydrophobicContact CG2-CE1 3.68Å; Y224-D226 VanDerWaalsContact CB-OD1 3.27Å; Y224-D226 WeakPolarHBondContact CB-OD1 3.32Å; Y224-D226 PolarHBondContact O-N 2.91Å; Y224-D226 VanDerWaalsContact O-N 3.13Å; Y224-S227 WeakPolarHBondContact O-CA 3.46Å; Y224-S227 PolarHBondContact O-N 2.89Å; Y224-T228 WeakPolarHBondContact CB-O 3.46Å; Y224-T228 WeakPolarHBondContact CD2-O 3.42Å; Y224-T228 WeakPolarHBondContact CD2-OG1 3.34Å; Y224-T228 PolarHBondContact N-O 2.95Å; Y224-L230 HydrophobicContact CE1-CD1 4.23Å; Y224-L230 HydrophobicContact CE2-CB 4.49Å; Y224-L230 HydrophobicContact CE2-CD1 3.65Å; Y224-L230 WeakPolarHBondContact OH-CD1 3.48Å |
| 225 | A | 93.4 | Very high | 82.6 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 28% | 0.281 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A182 L183 M185 G210 S227 | A182-A225 HydrophobicContact CB-CB 4.47Å; L183-A225 HydrophobicContact CB-CB 4.39Å; M185-A225 HydrophobicContact CG-CB 4.2Å; M185-A225 HydrophobicContact SD-CB 3.99Å; G210-A225 PolarHBondContact O-N 3Å; A225-S227 VanDerWaalsContact C-N 3.32Å |
| 226 | D | 92.2 | Very high | 83.2 | Confident | 68 Ų | 68 | 80.2 Ų | 80.2 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 12.1 | 172.2 | 68.4 | -4 | 0 | 0 | 0 | 113.6 | M185 K187 Y224 T228 | M185-D226 HydrophobicContact CE-CB 3.84Å; M185-D226 HydrophobicContact SD-CB 3.71Å; M185-D226 PolarHBondContact SD-N 2.97Å; M185-D226 VanDerWaalsContact SD-N 3.36Å; K187-D226 IonicContact NZ-OD1 2.86Å; K187-D226 IonicContact NZ-OD2 2.71Å; K187-D226 PolarHBondContact NZ-OD2 3.35Å; Y224-D226 VanDerWaalsContact CB-OD1 3.27Å; Y224-D226 WeakPolarHBondContact CB-OD1 3.32Å; Y224-D226 PolarHBondContact O-N 2.91Å; Y224-D226 VanDerWaalsContact O-N 3.13Å; D226-T228 PolarHBondContact O-N 3.18Å; D226-T228 WeakPolarHBondContact OD1-CB 3.5Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.41Å; D226-T228 PolarHBondContact OD1-N 3.29Å; D226-T228 PolarHBondContact OD1-OG1 2.92Å; D226-T228 PolarHBondContact OD2-OG1 3.49Å |
| 227 | S | 90.6 | Very high | 84 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 68.2 | 8.6 | -177.8 | -40.6 | 0 | 0 | 0 | 0 | 114.9 | Y224 A225 | Y224-S227 WeakPolarHBondContact O-CA 3.46Å; Y224-S227 PolarHBondContact O-N 2.89Å; A225-S227 VanDerWaalsContact C-N 3.32Å |
| 228 | T | 91.8 | Very high | 84.2 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | trans | -74 | 137.6 | 172.1 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | K187 Y224 D226 | K187-T228 PolarHBondContact NZ-OG1 3.39Å; Y224-T228 WeakPolarHBondContact CB-O 3.46Å; Y224-T228 WeakPolarHBondContact CD2-O 3.42Å; Y224-T228 WeakPolarHBondContact CD2-OG1 3.34Å; Y224-T228 PolarHBondContact N-O 2.95Å; D226-T228 PolarHBondContact O-N 3.18Å; D226-T228 WeakPolarHBondContact OD1-CB 3.5Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.41Å; D226-T228 PolarHBondContact OD1-N 3.29Å; D226-T228 PolarHBondContact OD1-OG1 2.92Å; D226-T228 PolarHBondContact OD2-OG1 3.49Å | ||
| 229 | P | 90.4 | Very high | 84 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 48% | 0.481 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -69.3 | 146.3 | 178.4 | 27.8 | -33.7 | 0 | 0 | 0 | 110.8 | R231 | P229-R231 PolarHBondContact O-N 2.87Å |
| 230 | L | 87.8 | Confident | 83.4 | Confident | 35 Ų | 35 | 75.1 Ų | 75.1 | 18% | 0.183 | 39% | 0.394 | C | S | . | . | trans | -66.4 | 115.7 | 169.8 | -170.5 | 66 | 0 | 0 | 0 | 108.3 | Y222 Y224 F233 A234 W236 W263 | Y222-L230 VanDerWaalsContact CB-CD2 3.49Å; Y222-L230 HydrophobicContact CD2-CD2 4.09Å; Y222-L230 HydrophobicContact CG-CD2 3.94Å; Y222-L230 WeakPolarHBondContact O-CB 3.46Å; Y222-L230 PolarHBondContact O-N 2.96Å; Y224-L230 HydrophobicContact CE1-CD1 4.23Å; Y224-L230 HydrophobicContact CE2-CB 4.49Å; Y224-L230 HydrophobicContact CE2-CD1 3.65Å; Y224-L230 WeakPolarHBondContact OH-CD1 3.48Å; L230-F233 WeakPolarHBondContact CD1-O 3.24Å; L230-A234 HydrophobicContact CD2-CB 4.06Å; L230-W236 HydrophobicContact CD2-CZ2 4.25Å; L230-W263 HydrophobicContact CD1-CH2 4.18Å; L230-W263 HydrophobicContact CD1-CZ3 4.03Å; L230-W263 HydrophobicContact CD2-CZ3 4.41Å | ||
| 231 | R | 78.4 | Confident | 82.1 | Confident | 208 Ų | 208 | 82.5 Ų | 82.5 | 79% | 0.785 | 42% | 0.42 | S | S | * | . | trans | -97.9 | -109.2 | 177.9 | -62.9 | -173.9 | -179 | -171.3 | -0.6 | 110.2 | P229 | P229-R231 PolarHBondContact O-N 2.87Š| ||
| 232 | E | 75.2 | Confident | 80.2 | Confident | 192 Ų | 192 | 86.3 Ų | 86.3 | 90% | 0.897 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -92.6 | -21.3 | -163.2 | -67.3 | 165.3 | -160.3 | 0 | 0 | 114 | ||
| 233 | F | 85.5 | Confident | 78 | Confident | 41 Ų | 41 | 93 Ų | 93 | 18% | 0.18 | 46% | 0.461 | C | S | . | . | trans | -104.2 | 112.4 | -175.2 | -177.7 | -97.8 | 0 | 0 | 0 | 111.7 | P186 N189 N192 L230 V235 W263 | P186-F233 HydrophobicContact CB-CE1 4.39Å; P186-F233 WeakPolarHBondContact O-CD1 3.48Å; P186-F233 WeakPolarHBondContact O-CE1 3.45Å; N189-F233 VanDerWaalsContact CA-CZ 3.45Å; N189-F233 HydrophobicContact CB-CD2 4.39Å; N189-F233 HydrophobicContact CB-CE2 3.64Å; N189-F233 HydrophobicContact CB-CZ 4.19Å; N192-F233 HydrophobicContact CB-CE1 3.7Å; N192-F233 HydrophobicContact CB-CZ 3.5Å; L230-F233 WeakPolarHBondContact CD1-O 3.24Å; F233-V235 HydrophobicContact CE1-CG2 4.31Å; F233-V235 HydrophobicContact CE2-CG2 3.76Å; F233-V235 HydrophobicContact CZ-CG2 3.53Å; F233-W263 HydrophobicContact CD1-CH2 4.47Å; F233-W263 HydrophobicContact CD1-CZ2 4.23Å; F233-W263 AromaticContact CE1-CZ2 3.87Å; F233-W263 HydrophobicContact CE1-CZ2 3.87Å | ||
| 234 | A | 86.4 | Confident | 75.5 | Confident | 37 Ų | 37 | 95.9 Ų | 95.9 | 31% | 0.306 | 49% | 0.485 | S | S | . | . | trans | -153.2 | 143.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L230 W263 | L230-A234 HydrophobicContact CD2-CB 4.06Å; A234-W263 HydrophobicContact CB-CE3 4.41Å; A234-W263 HydrophobicContact CB-CH2 4.47Å; A234-W263 HydrophobicContact CB-CZ3 4.09Å | ||
| 235 | V | 91.1 | Very high | 72.9 | Confident | 48 Ų | 48 | 101.5 Ų | 101.5 | 29% | 0.291 | 52% | 0.521 | S | S | . | . | trans | -124.7 | 64.7 | -177.2 | -168.2 | 0 | 0 | 0 | 0 | 109.2 | F233 T262 W263 | F233-V235 HydrophobicContact CE1-CG2 4.31Å; F233-V235 HydrophobicContact CE2-CG2 3.76Å; F233-V235 HydrophobicContact CZ-CG2 3.53Å; V235-T262 HydrophobicContact CG1-CG2 4.18Å; V235-T262 CarbonylContact O-C 3.39Å; V235-T262 WeakPolarHBondContact O-CA 3.37Å; V235-W263 PolarHBondContact O-N 2.97Å | ||
| 236 | W | 89.1 | Confident | 70.5 | Confident | 79 Ų | 79 | 104.9 Ų | 104.9 | 30% | 0.299 | 54% | 0.542 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 142.8 | -178.6 | -61.4 | 106.9 | 0 | 0 | 0 | 112 | Y222 L230 V255 W263 K265 | Y222-W236 AromaticContact CD1-CH2 3.97Å; Y222-W236 HydrophobicContact CD1-CH2 3.97Å; Y222-W236 HydrophobicContact CD1-CZ2 4.06Å; Y222-W236 AromaticContact CD2-CZ2 3.98Å; Y222-W236 HydrophobicContact CD2-CZ2 3.98Å; Y222-W236 AromaticContact CE1-CH2 3.46Å; Y222-W236 HydrophobicContact CE1-CH2 3.46Å; Y222-W236 VanDerWaalsContact CE1-CH2 3.46Å; Y222-W236 AromaticContact CE1-CZ2 3.81Å; Y222-W236 HydrophobicContact CE1-CZ2 3.81Å; Y222-W236 HydrophobicContact CE2-CH2 4.15Å; Y222-W236 AromaticContact CE2-CZ2 3.71Å; Y222-W236 HydrophobicContact CE2-CZ2 3.71Å; Y222-W236 HydrophobicContact CG-CZ2 4.14Å; Y222-W236 AromaticContact CZ-CH2 3.55Å; Y222-W236 AromaticContact CZ-CZ2 3.61Å; L230-W236 HydrophobicContact CD2-CZ2 4.25Å; W236-V255 HydrophobicContact CH2-CG1 4.17Å; W236-V255 HydrophobicContact CH2-CG2 3.67Å; W236-V255 HydrophobicContact CZ3-CG1 4.05Å; W236-V255 HydrophobicContact CZ3-CG2 4.12Å; W236-W263 WeakPolarHBondContact CA-O 3.42Å; W236-W263 HydrophobicContact CD2-CB 4.37Å; W236-W263 HydrophobicContact CE3-CB 3.8Å; W236-W263 HydrophobicContact CH2-CE3 4.28Å; W236-W263 HydrophobicContact CZ2-CE3 4.19Å; W236-W263 HydrophobicContact CZ3-CB 4.04Å; W236-K265 HydrophobicContact CZ3-CG 4.21Å |
| 237 | S | 86.1 | Confident | 68.2 | Low | 20 Ų | 20 | 106.4 Ų | 106.4 | 14% | 0.14 | 56% | 0.558 | C | S | . | * | trans | -71.2 | 151.9 | 170.5 | 71.9 | 0 | 0 | 0 | 0 | 111.3 | E239 W263 N264 | S237-E239 VanDerWaalsContact C-N 3.26Å; S237-E239 PolarHBondContact O-N 2.89Å; S237-W263 PolarHBondContact N-O 2.75Å; S237-N264 WeakPolarHBondContact CB-OD1 3.31Å; S237-N264 PolarHBondContact OG-OD1 2.86Å | ||
| 238 | Q | 67.7 | Low | 66.3 | Low | 192 Ų | 192 | 108 Ų | 108 | 90% | 0.897 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -76.3 | -9.9 | -177.7 | -71.9 | 176.9 | -18.5 | 0 | 0 | 113.6 | E240 | Q238-E240 PolarHBondContact O-N 2.98Å; Q238-E240 VanDerWaalsContact O-N 3.12Å |
| 239 | E | 56.9 | Low | 64.2 | Low | 156 Ų | 156 | 109.6 Ų | 109.6 | 73% | 0.729 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -71.7 | -2.3 | -175.6 | -80.3 | -179 | 152.9 | 0 | 0 | 114.5 | S237 | S237-E239 VanDerWaalsContact C-N 3.26Å; S237-E239 PolarHBondContact O-N 2.89Å |
| 240 | E | 54.2 | Low | 62.5 | Low | 64 Ų | 64 | 110.9 Ų | 110.9 | 30% | 0.299 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -93.7 | -4.5 | -172.9 | -110.5 | -161.9 | 149.1 | 0 | 0 | 116.9 | Q238 L242 K265 | Q238-E240 PolarHBondContact O-N 2.98Å; Q238-E240 VanDerWaalsContact O-N 3.12Å; E240-L242 VanDerWaalsContact C-N 3.27Å; E240-L242 PolarHBondContact O-N 3.14Å; E240-K265 WeakPolarHBondContact OE1-CB 3.44Å; E240-K265 WeakPolarHBondContact OE1-CD 3.46Å; E240-K265 WeakPolarHBondContact OE1-CE 3.42Å; E240-K265 WeakPolarHBondContact OE1-CG 3.27Å; E240-K265 IonicContact OE1-NZ 2.59Å; E240-K265 PolarHBondContact OE1-NZ 2.9Å; E240-K265 WeakPolarHBondContact OE2-CE 3.43Å; E240-K265 IonicContact OE2-NZ 3.29Å; E240-K265 PolarHBondContact OE2-NZ 3.28Å |
| 241 | Q | 46.3 | Very low | 61.6 | Low | 191 Ų | 191 | 115 Ų | 115 | 89% | 0.893 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -77.7 | -6.8 | 179.6 | -70.9 | -159.1 | -13 | 0 | 0 | 114.5 | ||
| 242 | L | 44.9 | Very low | 61.7 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 73% | 0.728 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -116.9 | -12.3 | -168.7 | -72.9 | 165 | 0 | 0 | 0 | 115.9 | E240 | E240-L242 VanDerWaalsContact C-N 3.27Å; E240-L242 PolarHBondContact O-N 3.14Å |
| 243 | Y | 43.4 | Very low | 62.3 | Low | 176 Ų | 176 | 99.1 Ų | 99.1 | 69% | 0.69 | 55% | 0.553 | S | S | * | * | trans | -138.1 | 55.4 | -173.4 | -38.9 | -79 | 0 | 0 | 0 | 112.1 | T245 | Y243-T245 PolarHBondContact O-N 2.91Š| ||
| 244 | S | 38.9 | Very low | 62.7 | Low | 104 Ų | 104 | 97.2 Ų | 97.2 | 73% | 0.727 | 54% | 0.544 | S | S | * | . | trans | -75 | 64.6 | 159.4 | -65.2 | 0 | 0 | 0 | 0 | 109.3 | S246 | S244-S246 PolarHBondContact O-N 3.29Š| ||
| 245 | T | 40.6 | Very low | 63.1 | Low | 130 Ų | 130 | 95.4 Ų | 95.4 | 80% | 0.798 | 53% | 0.53 | S | S | * | . | trans | -75.4 | 93.3 | 158.8 | 17.9 | 0 | 0 | 0 | 0 | 106.3 | Y243 S247 | Y243-T245 PolarHBondContact O-N 2.91Å; T245-S247 PolarHBondContact O-N 3.24Å | ||
| 246 | S | 43.7 | Very low | 63.3 | Low | 104 Ų | 104 | 94 Ų | 94 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | trans | -42.8 | 103.1 | 164.1 | 41.1 | 0 | 0 | 0 | 0 | 110.1 | S244 P248 | S244-S246 PolarHBondContact O-N 3.29Å; S246-P248 WeakPolarHBondContact O-CD 3.41Å | ||
| 247 | S | 44.3 | Very low | 63.7 | Low | 100 Ų | 100 | 90.2 Ų | 90.2 | 70% | 0.699 | 51% | 0.506 | S | S | * | . | trans | -77.4 | 117.6 | 156.6 | -165.5 | 0 | 0 | 0 | 0 | 106.9 | T245 A249 | T245-S247 PolarHBondContact O-N 3.24Å; S247-A249 PolarHBondContact O-N 3.03Å | ||
| 248 | P | 49.3 | Very low | 64.2 | Low | 130 Ų | 130 | 90.8 Ų | 90.8 | 84% | 0.844 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 12.2 | -170.3 | -12.5 | 28.2 | 0 | 0 | 0 | 115.2 | S246 | S246-P248 WeakPolarHBondContact O-CD 3.41Š|
| 249 | A | 47.8 | Very low | 65.5 | Low | 82 Ų | 82 | 84.5 Ų | 84.5 | 68% | 0.678 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -21.4 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S247 | S247-A249 PolarHBondContact O-N 3.03Š|
| 250 | T | 54.9 | Low | 67.4 | Low | 100 Ų | 100 | 81.7 Ų | 81.7 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | trans | -149.1 | 124.2 | -177.8 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | V252 | T250-V252 PolarHBondContact O-N 3.01Š| ||
| 251 | N | 69.6 | Low | 69.3 | Low | 123 Ų | 123 | 78.9 Ų | 78.9 | 66% | 0.658 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -64.4 | 16.8 | 172.3 | -70.2 | -19.2 | 0 | 0 | 0 | 114.4 | F215 | F215-N251 PolarHBondContact N-O 2.89Å; F215-N251 WeakPolarHBondContact O-CB 3.33Å |
| 252 | V | 80 | Confident | 71.7 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 29% | 0.291 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 119 | -165.1 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | Q212 G213 L214 T250 | Q212-V252 HydrophobicContact CG-CG1 3.81Å; G213-V252 VanDerWaalsContact O-CA 3.32Å; G213-V252 WeakPolarHBondContact O-CA 3.49Å; L214-V252 HydrophobicContact CD2-CG2 4.19Å; T250-V252 PolarHBondContact O-N 3.01Å |
| 253 | S | 88.2 | Confident | 74 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 148.9 | 173.5 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | Q212 G213 C268 | Q212-S253 CarbonylContact C-O 3.52Å; Q212-S253 WeakPolarHBondContact CA-O 3.45Å; Q212-S253 WeakPolarHBondContact CG-O 3.12Å; G213-S253 PolarHBondContact N-O 3.05Å; G213-S253 PolarHBondContact O-N 3.42Å; S253-C268 VanDerWaalsContact C-SG 3.58Å |
| 254 | C | 93.1 | Very high | 76.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 168.2 | 172.4 | -70.7 | 0 | 0 | 0 | 0 | 110 | F169 Y208 K265 V266 C268 | F169-C254 HydrophobicContact CB-CB 4.38Å; F169-C254 VanDerWaalsContact CB-SG 3.5Å; F169-C254 WeakPolarHBondContact CD1-SG 3.23Å; F169-C254 HydrophobicContact CD2-CB 3.81Å; F169-C254 WeakPolarHBondContact CD2-SG 3.33Å; F169-C254 HydrophobicContact CE2-CB 4.22Å; F169-C254 HydrophobicContact CG-CB 4.11Å; F169-C254 WeakPolarHBondContact CG-SG 3.42Å; Y208-C254 HydrophobicContact CD1-CB 4.48Å; Y208-C254 HydrophobicContact CE1-CB 3.83Å; C254-K265 WeakPolarHBondContact O-CA 3.48Å; C254-V266 CarbonylContact C-O 3.51Å; C254-V266 HydrophobicContact CB-CG1 4.23Å; C254-V266 PolarHBondContact N-O 2.88Å; C254-V266 PolarHBondContact O-N 2.93Å; C254-C268 HydrophobicContact CB-CB 4.03Å; C254-C268 WeakPolarHBondContact CB-SG 3.44Å; C254-C268 PolarHBondContact N-SG 3.22Å; C254-C268 VanDerWaalsContact SG-CA 3.54Å; C254-C268 WeakPolarHBondContact SG-CB 3.11Å; C254-C268 CovalentContact SG-SG 2.03Å; C254-C268 PolarHBondContact SG-SG 3.41Å |
| 255 | V | 94.5 | Very high | 78.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.7 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | V209 V211 Y222 W236 W263 N264 | V209-V255 HydrophobicContact CG2-CB 4.22Å; V209-V255 HydrophobicContact CG2-CG1 3.97Å; V209-V255 PolarHBondContact N-O 2.87Å; V211-V255 HydrophobicContact CB-CB 3.9Å; V211-V255 HydrophobicContact CB-CG1 4.42Å; V211-V255 HydrophobicContact CB-CG2 3.82Å; V211-V255 HydrophobicContact CG1-CB 4.34Å; V211-V255 HydrophobicContact CG1-CG2 3.72Å; V211-V255 PolarHBondContact O-N 3.01Å; Y222-V255 HydrophobicContact CD1-CG2 4.23Å; Y222-V255 HydrophobicContact CE1-CG2 4.11Å; W236-V255 HydrophobicContact CH2-CG1 4.17Å; W236-V255 HydrophobicContact CH2-CG2 3.67Å; W236-V255 HydrophobicContact CZ3-CG1 4.05Å; W236-V255 HydrophobicContact CZ3-CG2 4.12Å; V255-W263 HydrophobicContact CG1-CB 3.92Å; V255-W263 HydrophobicContact CG1-CD2 4.27Å; V255-W263 HydrophobicContact CG1-CE3 4.04Å; V255-W263 HydrophobicContact CG1-CG 4.25Å; V255-N264 WeakPolarHBondContact CA-O 3.49Å |
| 256 | E | 95.7 | Very high | 81.1 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.7 | 169.4 | 61.3 | 179.9 | -156.3 | 0 | 0 | 110.6 | R206 V207 W263 N264 V266 L272 | R206-E256 VanDerWaalsContact CD-OE2 3.23Å; R206-E256 WeakPolarHBondContact CD-OE2 3.4Å; R206-E256 IonicContact NE-OE2 2.69Å; R206-E256 PolarHBondContact NE-OE2 3.29Å; V207-E256 CarbonylContact O-C 3.57Å; V207-E256 VanDerWaalsContact O-CA 3.24Å; V207-E256 WeakPolarHBondContact O-CA 3.3Å; E256-W263 WeakPolarHBondContact O-CA 3.27Å; E256-N264 HydrophobicContact CG-CB 3.75Å; E256-N264 PolarHBondContact N-O 2.9Å; E256-N264 PolarHBondContact O-N 3.32Å; E256-V266 HydrophobicContact CB-CG1 4.02Å; E256-V266 HydrophobicContact CG-CB 4.16Å; E256-V266 HydrophobicContact CG-CG1 4.12Å; E256-L272 HydrophobicContact CB-CD1 4Å; E256-L272 WeakPolarHBondContact OE2-CD1 3.33Å |
| 257 | L | 97.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.5 | 173 | 176.2 | 64.8 | 0 | 0 | 0 | 108.6 | N192 M195 I199 R206 V207 V209 | N192-L257 WeakPolarHBondContact OD1-CD1 3.33Å; M195-L257 HydrophobicContact CB-CD2 3.55Å; M195-L257 HydrophobicContact CE-CD2 4.11Å; I199-L257 HydrophobicContact CD1-CB 4.27Å; I199-L257 HydrophobicContact CD1-CD2 3.8Å; I199-L257 HydrophobicContact CD1-CG 3.78Å; R206-L257 VanDerWaalsContact CA-O 3.27Å; R206-L257 WeakPolarHBondContact CA-O 3.48Å; V207-L257 HydrophobicContact CG2-CB 4.37Å; V207-L257 PolarHBondContact N-O 2.03Å; V207-L257 PolarHBondContact O-N 3.37Å; V209-L257 HydrophobicContact CG1-CB 3.52Å; V209-L257 HydrophobicContact CG1-CD2 3.86Å; V209-L257 HydrophobicContact CG1-CG 4.33Å; V209-L257 HydrophobicContact CG2-CB 4.29Å |
| 258 | L | 97 | Very high | 85.6 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 160.5 | 175.7 | -56.5 | -174.1 | 0 | 0 | 0 | 111.3 | T205 R206 T260 G261 T262 | T205-L258 CarbonylContact O-C 3.58Å; T205-L258 WeakPolarHBondContact O-CA 3.37Å; R206-L258 HydrophobicContact CB-CD2 3.54Å; L258-T260 WeakPolarHBondContact CB-OG1 3.41Å; L258-T260 PolarHBondContact O-N 3.33Å; L258-G261 PolarHBondContact O-N 2.93Å; L258-T262 WeakPolarHBondContact CB-O 3.46Å; L258-T262 WeakPolarHBondContact CD1-OG1 3.33Å; L258-T262 PolarHBondContact N-O 2.83Å |
| 259 | N | 96 | Very high | 87.7 | Confident | 61 Ų | 61 | 45.6 Ų | 45.6 | 33% | 0.326 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.8 | 172.2 | 66.5 | -10.7 | 0 | 0 | 0 | 113.8 | I199 T205 G261 | I199-N259 HydrophobicContact CB-CB 4.34Å; I199-N259 HydrophobicContact CG2-CB 3.79Å; T205-N259 PolarHBondContact O-N 2.82Å; N259-G261 VanDerWaalsContact C-N 3.3Å |
| 260 | T | 95.4 | Very high | 89.8 | Confident | 97 Ų | 97 | 43.9 Ų | 43.9 | 60% | 0.595 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.8 | 171.6 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | L258 T262 | L258-T260 WeakPolarHBondContact CB-OG1 3.41Å; L258-T260 PolarHBondContact O-N 3.33Å; T260-T262 PolarHBondContact OG1-N 3.3Å; T260-T262 PolarHBondContact OG1-OG1 3.24Å |
| 261 | G | 95.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 86.8 | 1.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N192 L258 N259 | N192-G261 PolarHBondContact ND2-O 2.82Å; L258-G261 PolarHBondContact O-N 2.93Å; N259-G261 VanDerWaalsContact C-N 3.3Å |
| 262 | T | 95.5 | Very high | 93.1 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | trans | -86.9 | 156.7 | 173.2 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | V235 L258 T260 | V235-T262 HydrophobicContact CG1-CG2 4.18Å; V235-T262 CarbonylContact O-C 3.39Å; V235-T262 WeakPolarHBondContact O-CA 3.37Å; L258-T262 WeakPolarHBondContact CB-O 3.46Å; L258-T262 WeakPolarHBondContact CD1-OG1 3.33Å; L258-T262 PolarHBondContact N-O 2.83Å; T260-T262 PolarHBondContact OG1-N 3.3Å; T260-T262 PolarHBondContact OG1-OG1 3.24Å | ||
| 263 | W | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.5 | -175.1 | -59.2 | 9.3 | 0 | 0 | 0 | 110.1 | P186 N192 V211 L230 F233 A234 V235 W236 S237 V255 E256 | P186-W263 HydrophobicContact CB-CH2 4.43Å; P186-W263 HydrophobicContact CB-CZ2 3.66Å; P186-W263 HydrophobicContact CG-CH2 3.76Å; P186-W263 HydrophobicContact CG-CZ2 3.23Å; N192-W263 PolarHBondContact OD1-NE1 2.81Å; V211-W263 HydrophobicContact CG1-CZ3 4.37Å; V211-W263 HydrophobicContact CG2-CH2 4.35Å; V211-W263 HydrophobicContact CG2-CZ3 4.09Å; L230-W263 HydrophobicContact CD1-CH2 4.18Å; L230-W263 HydrophobicContact CD1-CZ3 4.03Å; L230-W263 HydrophobicContact CD2-CZ3 4.41Å; F233-W263 HydrophobicContact CD1-CH2 4.47Å; F233-W263 HydrophobicContact CD1-CZ2 4.23Å; F233-W263 AromaticContact CE1-CZ2 3.87Å; F233-W263 HydrophobicContact CE1-CZ2 3.87Å; A234-W263 HydrophobicContact CB-CE3 4.41Å; A234-W263 HydrophobicContact CB-CH2 4.47Å; A234-W263 HydrophobicContact CB-CZ3 4.09Å; V235-W263 PolarHBondContact O-N 2.97Å; W236-W263 WeakPolarHBondContact CA-O 3.42Å; W236-W263 HydrophobicContact CD2-CB 4.37Å; W236-W263 HydrophobicContact CE3-CB 3.8Å; W236-W263 HydrophobicContact CH2-CE3 4.28Å; W236-W263 HydrophobicContact CZ2-CE3 4.19Å; W236-W263 HydrophobicContact CZ3-CB 4.04Å; S237-W263 PolarHBondContact N-O 2.75Å; V255-W263 HydrophobicContact CG1-CB 3.92Å; V255-W263 HydrophobicContact CG1-CD2 4.27Å; V255-W263 HydrophobicContact CG1-CE3 4.04Å; V255-W263 HydrophobicContact CG1-CG 4.25Å; E256-W263 WeakPolarHBondContact O-CA 3.27Å |
| 264 | N | 91.6 | Very high | 94.4 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.5 | 173.3 | -68 | -0.7 | 0 | 0 | 0 | 110.2 | S237 V255 E256 | S237-N264 WeakPolarHBondContact CB-OD1 3.31Å; S237-N264 PolarHBondContact OG-OD1 2.86Å; V255-N264 WeakPolarHBondContact CA-O 3.49Å; E256-N264 HydrophobicContact CG-CB 3.75Å; E256-N264 PolarHBondContact N-O 2.9Å; E256-N264 PolarHBondContact O-N 3.32Å |
| 265 | K | 89.8 | Confident | 94.6 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 30% | 0.3 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 142.7 | 164.3 | -64.2 | -170.6 | -154.8 | 108.6 | 0 | 109.8 | Y222 W236 E240 C254 | Y222-K265 WeakPolarHBondContact OH-CD 3.32Å; Y222-K265 WeakPolarHBondContact OH-CE 3.37Å; W236-K265 HydrophobicContact CZ3-CG 4.21Å; E240-K265 WeakPolarHBondContact OE1-CB 3.44Å; E240-K265 WeakPolarHBondContact OE1-CD 3.46Å; E240-K265 WeakPolarHBondContact OE1-CE 3.42Å; E240-K265 WeakPolarHBondContact OE1-CG 3.27Å; E240-K265 IonicContact OE1-NZ 2.59Å; E240-K265 PolarHBondContact OE1-NZ 2.9Å; E240-K265 WeakPolarHBondContact OE2-CE 3.43Å; E240-K265 IonicContact OE2-NZ 3.29Å; E240-K265 PolarHBondContact OE2-NZ 3.28Å; C254-K265 WeakPolarHBondContact O-CA 3.48Å |
| 266 | V | 90.2 | Very high | 94.7 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.3 | 175.5 | 64.3 | 0 | 0 | 0 | 0 | 110 | Y208 C254 E256 C268 T270 L272 | Y208-V266 HydrophobicContact CD1-CG1 4.22Å; Y208-V266 HydrophobicContact CE1-CG1 3.43Å; Y208-V266 VanDerWaalsContact CE1-CG1 3.43Å; C254-V266 CarbonylContact C-O 3.51Å; C254-V266 HydrophobicContact CB-CG1 4.23Å; C254-V266 PolarHBondContact N-O 2.88Å; C254-V266 PolarHBondContact O-N 2.93Å; E256-V266 HydrophobicContact CB-CG1 4.02Å; E256-V266 HydrophobicContact CG-CB 4.16Å; E256-V266 HydrophobicContact CG-CG1 4.12Å; V266-C268 PolarHBondContact O-N 2.87Å; V266-T270 HydrophobicContact CG2-CG2 4.19Å; V266-L272 HydrophobicContact CG1-CD1 4.28Å; V266-L272 HydrophobicContact CG2-CD1 4.32Å |
| 267 | V | 90.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 37.1 Ų | 37.1 | 55% | 0.552 | 21% | 0.206 | S | C | * | . | trans | -60.8 | 129.7 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | Y208 E269 T270 | Y208-V267 PolarHBondContact OH-O 3.29Å; V267-E269 HydrophobicContact CG1-CB 4.27Å; V267-E269 PolarHBondContact O-N 2.76Å; V267-E269 VanDerWaalsContact O-N 3.15Å; V267-T270 VanDerWaalsContact O-CB 3.29Å; V267-T270 WeakPolarHBondContact O-CB 3.45Å; V267-T270 PolarHBondContact O-N 2.91Å; V267-T270 PolarHBondContact O-OG1 2.94Å; V267-T270 VanDerWaalsContact O-OG1 3.13Å | ||
| 268 | C | 92.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 14% | 0.135 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20 | -174.8 | -63.9 | 0 | 0 | 0 | 0 | 114.6 | F169 Y208 S253 C254 V266 T270 | F169-C268 HydrophobicContact CB-CB 4.09Å; F169-C268 WeakPolarHBondContact CB-O 3.13Å; F169-C268 PolarHBondContact N-O 2.84Å; Y208-C268 PolarHBondContact OH-O 2.76Å; S253-C268 VanDerWaalsContact C-SG 3.58Å; C254-C268 HydrophobicContact CB-CB 4.03Å; C254-C268 WeakPolarHBondContact CB-SG 3.44Å; C254-C268 PolarHBondContact N-SG 3.22Å; C254-C268 VanDerWaalsContact SG-CA 3.54Å; C254-C268 WeakPolarHBondContact SG-CB 3.11Å; C254-C268 CovalentContact SG-SG 2.03Å; C254-C268 PolarHBondContact SG-SG 3.41Å; V266-C268 PolarHBondContact O-N 2.87Å; C268-T270 VanDerWaalsContact C-N 3.3Å |
| 269 | E | 92.4 | Very high | 94.3 | Very high | 113 Ų | 113 | 41 Ų | 41 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -9.4 | 177.2 | -66.2 | -60.2 | 124.5 | 0 | 0 | 113.1 | K168 V267 | K168-E269 VanDerWaalsContact CD-OE2 3.3Å; K168-E269 WeakPolarHBondContact CD-OE2 3.46Å; K168-E269 VanDerWaalsContact CE-OE2 3.29Å; K168-E269 WeakPolarHBondContact CE-OE2 3.06Å; K168-E269 IonicContact NZ-OE2 3.67Å; K168-E269 PolarHBondContact NZ-OE2 3.27Å; V267-E269 HydrophobicContact CG1-CB 4.27Å; V267-E269 PolarHBondContact O-N 2.76Å; V267-E269 VanDerWaalsContact O-N 3.15Å |
| 270 | T | 92.6 | Very high | 93.9 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 28% | 0.276 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -68.6 | 127.6 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | Y208 V266 V267 C268 L272 | Y208-T270 VanDerWaalsContact CE2-O 3.27Å; Y208-T270 WeakPolarHBondContact CE2-O 3.41Å; Y208-T270 PolarHBondContact OH-O 2.57Å; V266-T270 HydrophobicContact CG2-CG2 4.19Å; V267-T270 VanDerWaalsContact O-CB 3.29Å; V267-T270 WeakPolarHBondContact O-CB 3.45Å; V267-T270 PolarHBondContact O-N 2.91Å; V267-T270 PolarHBondContact O-OG1 2.94Å; V267-T270 VanDerWaalsContact O-OG1 3.13Å; C268-T270 VanDerWaalsContact C-N 3.3Å; T270-L272 HydrophobicContact CG2-CD2 3.95Å; T270-L272 HydrophobicContact CG2-CG 4.11Å; T270-L272 PolarHBondContact O-N 2.83Å |
| 271 | P | 96.4 | Very high | 93 | Very high | 85 Ų | 85 | 40.5 Ų | 40.5 | 55% | 0.552 | 23% | 0.229 | S | C | * | . | trans | -77.9 | 114.7 | 176.8 | 29.8 | -32.4 | 0 | 0 | 0 | 110.5 | P166 | P166-P271 HydrophobicContact CB-CB 4.39Š| ||
| 272 | L | 97.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.7 | 175.9 | -57.1 | 176.7 | 0 | 0 | 0 | 111.6 | P166 K167 Y208 E256 V266 T270 | P166-L272 WeakPolarHBondContact CA-O 3.37Å; K167-L272 PolarHBondContact N-O 3.28Å; K167-L272 PolarHBondContact O-N 2.73Å; Y208-L272 HydrophobicContact CD1-CD1 4Å; Y208-L272 HydrophobicContact CD2-CB 3.6Å; Y208-L272 HydrophobicContact CD2-CD1 4.13Å; Y208-L272 HydrophobicContact CD2-CG 4.2Å; Y208-L272 HydrophobicContact CE1-CD1 3.8Å; Y208-L272 HydrophobicContact CE2-CB 3.66Å; Y208-L272 HydrophobicContact CE2-CD1 3.91Å; Y208-L272 HydrophobicContact CE2-CG 3.84Å; Y208-L272 HydrophobicContact CG-CB 4.22Å; Y208-L272 HydrophobicContact CG-CD1 4.14Å; E256-L272 HydrophobicContact CB-CD1 4Å; E256-L272 WeakPolarHBondContact OE2-CD1 3.33Å; V266-L272 HydrophobicContact CG1-CD1 4.28Å; V266-L272 HydrophobicContact CG2-CD1 4.32Å; T270-L272 HydrophobicContact CG2-CD2 3.95Å; T270-L272 HydrophobicContact CG2-CG 4.11Å; T270-L272 PolarHBondContact O-N 2.83Å |
| 273 | F | 97.8 | Very high | 89 | Confident | 62 Ų | 62 | 58 Ų | 58 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 162.8 | 161.3 | -56.6 | -40.9 | 0 | 0 | 0 | 110.2 | K164 P166 L204 V207 Y208 | K164-F273 VanDerWaalsContact C-CD1 3.43Å; K164-F273 VanDerWaalsContact C-CE1 3.43Å; K164-F273 HydrophobicContact CB-CE1 4.47Å; K164-F273 WeakPolarHBondContact O-CE1 3.48Å; P166-F273 HydrophobicContact CB-CD1 4.05Å; P166-F273 HydrophobicContact CB-CE1 3.95Å; P166-F273 HydrophobicContact CG-CE1 4.12Å; L204-F273 HydrophobicContact CD1-CB 4.31Å; L204-F273 HydrophobicContact CD1-CD2 3.73Å; L204-F273 HydrophobicContact CD1-CE2 4.5Å; L204-F273 HydrophobicContact CD1-CG 4.37Å; L204-F273 HydrophobicContact CD2-CD2 3.58Å; L204-F273 HydrophobicContact CD2-CE2 3.55Å; L204-F273 HydrophobicContact CG-CD2 4.27Å; V207-F273 CarbonylContact C-O 3.49Å; V207-F273 VanDerWaalsContact CA-O 3.26Å; V207-F273 WeakPolarHBondContact CA-O 3.45Å; V207-F273 WeakPolarHBondContact CB-O 3.49Å; V207-F273 HydrophobicContact CG1-CB 4.15Å; Y208-F273 PolarHBondContact N-O 2.94Å |
| 274 | F | 98 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.3 | -173.1 | 56.5 | -86.3 | 0 | 0 | 0 | 111.8 | V163 E165 K167 A172 N175 L183 | V163-F274 HydrophobicContact CB-CD1 4.37Å; V163-F274 HydrophobicContact CB-CD2 4Å; V163-F274 HydrophobicContact CB-CE1 4Å; V163-F274 HydrophobicContact CB-CE2 3.61Å; V163-F274 HydrophobicContact CB-CG 4.36Å; V163-F274 HydrophobicContact CB-CZ 3.61Å; V163-F274 HydrophobicContact CG1-CE1 3.81Å; V163-F274 HydrophobicContact CG1-CE2 3.95Å; V163-F274 HydrophobicContact CG1-CZ 3.43Å; V163-F274 VanDerWaalsContact CG1-CZ 3.43Å; V163-F274 HydrophobicContact CG2-CD2 4.16Å; V163-F274 HydrophobicContact CG2-CE2 3.65Å; V163-F274 HydrophobicContact CG2-CZ 4.05Å; V163-F274 PolarHBondContact N-O 3.06Å; V163-F274 PolarHBondContact O-N 3.17Å; E165-F274 VanDerWaalsContact O-CE1 3.31Å; E165-F274 WeakPolarHBondContact O-CE1 3.42Å; K167-F274 HydrophobicContact CB-CD1 4.29Å; K167-F274 HydrophobicContact CB-CE1 3.82Å; K167-F274 HydrophobicContact CD-CE1 3.78Å; K167-F274 HydrophobicContact CD-CZ 3.98Å; K167-F274 HydrophobicContact CG-CE1 3.89Å; A172-F274 HydrophobicContact CB-CB 4.06Å; A172-F274 HydrophobicContact CB-CD1 3.58Å; A172-F274 HydrophobicContact CB-CD2 3.97Å; A172-F274 HydrophobicContact CB-CE1 3.93Å; A172-F274 HydrophobicContact CB-CE2 4.27Å; A172-F274 HydrophobicContact CB-CG 3.61Å; A172-F274 HydrophobicContact CB-CZ 4.26Å; N175-F274 HydrophobicContact CB-CE2 3.88Å; N175-F274 HydrophobicContact CB-CZ 3.75Å; L183-F274 HydrophobicContact CD2-CB 3.82Å; L183-F274 HydrophobicContact CD2-CD2 3.98Å; L183-F274 HydrophobicContact CD2-CG 4.24Å |
| 275 | I | 97.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.8 | 174.6 | -57.5 | 175.3 | 0 | 0 | 0 | 108.5 | Y160 L161 L162 A184 M195 Y198 I199 V207 Y208 | Y160-I275 HydrophobicContact CD1-CG2 4.24Å; L161-I275 WeakPolarHBondContact O-CA 3.41Å; L162-I275 HydrophobicContact CD1-CD1 4.44Å; L162-I275 HydrophobicContact CD1-CG1 3.72Å; A184-I275 HydrophobicContact CB-CB 3.92Å; A184-I275 HydrophobicContact CB-CG2 3.66Å; A184-I275 WeakPolarHBondContact CB-O 3.11Å; A184-I275 PolarHBondContact N-O 2.86Å; M195-I275 HydrophobicContact CB-CD1 4.05Å; M195-I275 HydrophobicContact CG-CD1 4.12Å; M195-I275 HydrophobicContact SD-CD1 4.22Å; M195-I275 HydrophobicContact SD-CG2 4.31Å; Y198-I275 HydrophobicContact CD1-CD1 4.4Å; I199-I275 HydrophobicContact CD1-CD1 4.26Å; I199-I275 HydrophobicContact CG1-CD1 3.99Å; V207-I275 HydrophobicContact CG2-CD1 3.81Å; V207-I275 HydrophobicContact CG2-CG1 3.89Å; Y208-I275 PolarHBondContact O-N 2.71Å |
| 276 | C | 96.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 144.4 | 168 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | Y160 L161 C176 A182 F278 | Y160-C276 CarbonylContact C-O 3.4Å; Y160-C276 WeakPolarHBondContact CA-O 3.4Å; L161-C276 PolarHBondContact N-O 3.19Å; L161-C276 PolarHBondContact O-N 2.95Å; C176-C276 WeakPolarHBondContact CA-SG 3.48Å; C176-C276 HydrophobicContact CB-CB 3.71Å; C176-C276 WeakPolarHBondContact CB-SG 3.22Å; C176-C276 WeakPolarHBondContact SG-CA 3.03Å; C176-C276 WeakPolarHBondContact SG-CB 3.18Å; C176-C276 CovalentContact SG-SG 2.04Å; C176-C276 PolarHBondContact SG-SG 3.32Å; A182-C276 CarbonylContact O-C 3.54Å; A182-C276 VanDerWaalsContact O-CA 3.27Å; A182-C276 WeakPolarHBondContact O-CA 3.49Å; C276-F278 HydrophobicContact CB-CE2 3.62Å; C276-F278 HydrophobicContact CB-CZ 3.64Å |
| 277 | E | 95.8 | Very high | 88.4 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146.4 | 168.3 | 66.6 | 172.4 | -127.7 | 0 | 0 | 111.5 | R158 Y159 Y160 G181 A182 A184 M185 | R158-E277 IonicContact CZ-OE1 3.59Å; R158-E277 IonicContact NH1-OE1 3.35Å; R158-E277 PolarHBondContact NH1-OE1 3.11Å; Y159-E277 CarbonylContact O-C 3.6Å; Y159-E277 VanDerWaalsContact O-CA 3.31Å; Y159-E277 WeakPolarHBondContact O-CA 3.35Å; Y160-E277 HydrophobicContact CD1-CB 3.96Å; Y160-E277 HydrophobicContact CE1-CB 3.86Å; G181-E277 CarbonylContact C-O 3.51Å; G181-E277 WeakPolarHBondContact CA-O 3.47Å; A182-E277 HydrophobicContact CB-CG 4.41Å; A182-E277 PolarHBondContact N-O 2.79Å; A182-E277 PolarHBondContact O-N 3.32Å; A184-E277 WeakPolarHBondContact CA-OE2 3.39Å; A184-E277 HydrophobicContact CB-CB 4.13Å; A184-E277 HydrophobicContact CB-CG 4.48Å; M185-E277 WeakPolarHBondContact CE-OE1 2.75Å; M185-E277 PolarHBondContact N-OE2 2.88Å |
| 278 | F | 93.5 | Very high | 88.3 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.8 | 179.2 | -55.8 | -84.8 | 0 | 0 | 0 | 110 | R158 Y159 L161 R179 G181 C276 | R158-F278 CarbonylContact C-O 3.53Å; R158-F278 VanDerWaalsContact CA-O 3.25Å; R158-F278 WeakPolarHBondContact CA-O 2.97Å; Y159-F278 PolarHBondContact N-O 3.46Å; Y159-F278 PolarHBondContact O-N 3.1Å; L161-F278 HydrophobicContact CB-CE2 3.87Å; L161-F278 HydrophobicContact CD2-CE2 4.35Å; R179-F278 HydrophobicContact CB-CE1 3.51Å; R179-F278 HydrophobicContact CB-CZ 3.79Å; R179-F278 WeakPolarHBondContact O-CE1 3.43Å; G181-F278 VanDerWaalsContact CA-CD1 3.48Å; C276-F278 HydrophobicContact CB-CE2 3.62Å; C276-F278 HydrophobicContact CB-CZ 3.64Å |
| 279 | P | 91.1 | Very high | 88 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 140.5 | 172.9 | 29.4 | -33.4 | 0 | 0 | 0 | 110.1 | ||
| 280 | K | 87.4 | Confident | 87.7 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 21% | 0.213 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 133.5 | 164.5 | -64.6 | -165.3 | -160.2 | 177.1 | 0 | 108.9 | E154 T155 E156 D157 Y159 R282 | E154-K280 VanDerWaalsContact CG-NZ 3.3Å; E154-K280 WeakPolarHBondContact OE1-CE 3.33Å; E154-K280 IonicContact OE1-NZ 2.59Å; E154-K280 PolarHBondContact OE1-NZ 2.93Å; T155-K280 WeakPolarHBondContact O-CE 3.42Å; T155-K280 PolarHBondContact O-NZ 3.12Å; E156-K280 VanDerWaalsContact O-CD 3.31Å; E156-K280 WeakPolarHBondContact O-CD 3.21Å; E156-K280 WeakPolarHBondContact O-CE 3.33Å; E156-K280 PolarHBondContact O-NZ 3.4Å; E156-K280 VanDerWaalsContact O-NZ 3.11Å; D157-K280 WeakPolarHBondContact O-CB 3.01Å; D157-K280 WeakPolarHBondContact O-CG 3.29Å; D157-K280 PolarHBondContact O-N 3.32Å; Y159-K280 HydrophobicContact CD2-CG 4.08Å; Y159-K280 HydrophobicContact CE1-CD 3.98Å; Y159-K280 VanDerWaalsContact CE1-CE 3.42Å; Y159-K280 HydrophobicContact CE1-CG 4.15Å; Y159-K280 HydrophobicContact CE2-CD 4.22Å; Y159-K280 HydrophobicContact CE2-CG 3.65Å; K280-R282 PolarHBondContact O-N 2.9Å |
| 281 | S | 77.3 | Confident | 87.3 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 69% | 0.685 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 116.2 | 171.4 | -166.7 | 0 | 0 | 0 | 0 | 108.2 | R283 | S281-R283 PolarHBondContact O-N 3.47Š|
| 282 | R | 61.8 | Low | 86.6 | Confident | 239 Ų | 239 | 62.4 Ų | 62.4 | 90% | 0.902 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -66 | 127 | 161.9 | -72.5 | -172.8 | 178.3 | -168 | -1.2 | 106.2 | K280 | K280-R282 PolarHBondContact O-N 2.9Š|
| 283 | R | 44.8 | Very low | 85.6 | Confident | 169 Ų | 169 | 67.1 Ų | 67.1 | 64% | 0.638 | 31% | 0.31 | S | S | * | . | trans | -86.4 | 0 | 169.3 | -70.9 | 170.1 | 165.1 | -120.7 | -32.6 | 108.4 | E23 K26 E30 S281 | E23-R283 IonicContact OE2-CZ 3.71Å; E23-R283 IonicContact OE2-NE 2.65Å; E23-R283 IonicContact OE2-NH2 2.7Å; E23-R283 PolarHBondContact OE2-NH2 2.83Å; K26-R283 VanDerWaalsContact CB-NH2 3.3Å; K26-R283 VanDerWaalsContact CD-CZ 3.46Å; K26-R283 VanDerWaalsContact CE-NH2 3.31Å; E30-R283 IonicContact OE1-CZ 2.94Å; E30-R283 IonicContact OE1-NH1 2.77Å; E30-R283 PolarHBondContact OE1-NH1 3.36Å; E30-R283 IonicContact OE2-NH1 3.68Å; S281-R283 PolarHBondContact O-N 3.47Å |
Retrieved 283 of 283 residues in 681.2 ms
(Link to these results)