| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.8 | Very low | 51.8 | Low | 237 Ų | 237 | 127.5 Ų | 127.5 | 100% | 1.167 | 69% | 0.688 | S | S | * | * | 0 | 93.7 | 0 | -71 | 165 | 63.6 | 0 | 0 | 106.6 | |||||
| 2 | S | 47 | Very low | 52.5 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | trans | -150.2 | 2.2 | -161.6 | -38.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 3 | S | 45.8 | Very low | 53.5 | Low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -116.1 | -7.4 | -166.4 | 46 | 0 | 0 | 0 | 0 | 115.4 | ||
| 4 | Q | 48.8 | Very low | 54.7 | Low | 179 Ų | 179 | 122.6 Ų | 122.6 | 84% | 0.836 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -90.3 | -15.4 | -179.7 | -77.7 | -175.5 | -28.5 | 0 | 0 | 114.4 | S6 | Q4-S6 PolarHBondContact O-N 2.88Š|
| 5 | T | 51.5 | Low | 56.1 | Low | 115 Ų | 115 | 120.2 Ų | 120.2 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.6 | -15.9 | -175.3 | 41.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 6 | S | 50.9 | Low | 57.4 | Low | 70 Ų | 70 | 119.1 Ų | 119.1 | 49% | 0.49 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -77.3 | -43.7 | -179.6 | -166.7 | 0 | 0 | 0 | 0 | 112.7 | Q4 G8 N9 | Q4-S6 PolarHBondContact O-N 2.88Å; S6-G8 VanDerWaalsContact C-N 3.28Å; S6-G8 PolarHBondContact O-N 3.28Å; S6-N9 PolarHBondContact O-N 2.98Å |
| 7 | Y | 51.3 | Low | 58.6 | Low | 190 Ų | 190 | 115.9 Ų | 115.9 | 75% | 0.745 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.5 | -21 | -173.5 | -74.1 | -81.2 | 0 | 0 | 0 | 114.2 | ||
| 8 | G | 51.9 | Low | 59.7 | Low | 33 Ų | 33 | 115.6 Ų | 115.6 | 34% | 0.34 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.6 | -46.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S6 F10 L11 F12 | S6-G8 VanDerWaalsContact C-N 3.28Å; S6-G8 PolarHBondContact O-N 3.28Å; G8-F10 PolarHBondContact O-N 2.92Å; G8-L11 PolarHBondContact O-N 3.13Å; G8-F12 PolarHBondContact O-N 3.42Å; G8-F12 VanDerWaalsContact O-N 3.07Å |
| 9 | N | 55.3 | Low | 60.9 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 61% | 0.61 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.7 | -40.5 | -172.8 | -77.9 | 24.6 | 0 | 0 | 0 | 113.1 | S6 L11 Q13 | S6-N9 PolarHBondContact O-N 2.98Å; N9-L11 VanDerWaalsContact C-N 3.31Å; N9-L11 PolarHBondContact O-N 3.34Å; N9-Q13 WeakPolarHBondContact O-CB 3.48Å; N9-Q13 WeakPolarHBondContact O-CG 3.36Å; N9-Q13 PolarHBondContact O-N 2.76Å |
| 10 | F | 57.4 | Low | 62 | Low | 142 Ų | 142 | 114.6 Ų | 114.6 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.9 | -33.7 | 177.5 | -72.9 | -78 | 0 | 0 | 0 | 112.7 | G8 A14 | G8-F10 PolarHBondContact O-N 2.92Å; F10-A14 WeakPolarHBondContact O-CB 3.34Å; F10-A14 PolarHBondContact O-N 3.37Å; F10-A14 VanDerWaalsContact O-N 3.08Å |
| 11 | L | 63.3 | Low | 63.1 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 60% | 0.602 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.8 | -40 | -179.1 | -136.5 | 162 | 0 | 0 | 0 | 111.1 | G8 N9 A14 I15 | G8-L11 PolarHBondContact O-N 3.13Å; N9-L11 VanDerWaalsContact C-N 3.31Å; N9-L11 PolarHBondContact O-N 3.34Å; L11-A14 PolarHBondContact O-N 2.99Å; L11-I15 HydrophobicContact CD2-CD1 3.87Å; L11-I15 HydrophobicContact CD2-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CD1 3.21Å; L11-I15 WeakPolarHBondContact O-CG1 3.28Å; L11-I15 PolarHBondContact O-N 2.98Å |
| 12 | F | 59.5 | Low | 64.9 | Low | 143 Ų | 143 | 104.2 Ų | 104.2 | 63% | 0.627 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.8 | -44.3 | 170.7 | -87.2 | -84.3 | 0 | 0 | 0 | 112.5 | G8 A14 I15 D16 | G8-F12 PolarHBondContact O-N 3.42Å; G8-F12 VanDerWaalsContact O-N 3.07Å; F12-A14 VanDerWaalsContact C-N 3.29Å; F12-A14 PolarHBondContact O-N 3.38Å; F12-I15 PolarHBondContact O-N 2.81Å; F12-D16 PolarHBondContact O-N 3.26Å |
| 13 | Q | 66.6 | Low | 66.7 | Low | 127 Ų | 127 | 103.9 Ų | 103.9 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.1 | -34.5 | 177.4 | -77.3 | -172.7 | -46.6 | 0 | 0 | 113.4 | N9 S17 | N9-Q13 WeakPolarHBondContact O-CB 3.48Å; N9-Q13 WeakPolarHBondContact O-CG 3.36Å; N9-Q13 PolarHBondContact O-N 2.76Å; Q13-S17 PolarHBondContact O-N 2.98Å; Q13-S17 PolarHBondContact O-OG 3.08Å; Q13-S17 VanDerWaalsContact O-OG 3.13Å |
| 14 | A | 70.2 | Confident | 68.5 | Low | 45 Ų | 45 | 101.9 Ų | 101.9 | 37% | 0.372 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -45.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F10 L11 F12 S17 D18 | F10-A14 WeakPolarHBondContact O-CB 3.34Å; F10-A14 PolarHBondContact O-N 3.37Å; F10-A14 VanDerWaalsContact O-N 3.08Å; L11-A14 PolarHBondContact O-N 2.99Å; F12-A14 VanDerWaalsContact C-N 3.29Å; F12-A14 PolarHBondContact O-N 3.38Å; A14-S17 WeakPolarHBondContact CA-OG 3.27Å; A14-S17 PolarHBondContact O-N 2.88Å; A14-S17 PolarHBondContact O-OG 3.02Å; A14-D18 PolarHBondContact O-N 2.87Å |
| 15 | I | 75.9 | Confident | 70.4 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 176.8 | -67.1 | 164.7 | 0 | 0 | 0 | 110.8 | L11 F12 S17 D18 L19 | L11-I15 HydrophobicContact CD2-CD1 3.87Å; L11-I15 HydrophobicContact CD2-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CD1 3.21Å; L11-I15 WeakPolarHBondContact O-CG1 3.28Å; L11-I15 PolarHBondContact O-N 2.98Å; F12-I15 PolarHBondContact O-N 2.81Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 2.84Å; I15-D18 PolarHBondContact O-N 3.47Å; I15-L19 VanDerWaalsContact O-CB 3.24Å; I15-L19 WeakPolarHBondContact O-CB 3.19Å; I15-L19 PolarHBondContact O-N 3.33Å |
| 16 | D | 76.9 | Confident | 72.1 | Confident | 103 Ų | 103 | 94.4 Ų | 94.4 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -37.1 | 176.8 | -71.5 | -26.4 | 0 | 0 | 0 | 111.7 | F12 N20 | F12-D16 PolarHBondContact O-N 3.26Å; D16-N20 VanDerWaalsContact O-CB 3.22Å; D16-N20 WeakPolarHBondContact O-CB 3.26Å; D16-N20 PolarHBondContact O-N 3.38Å |
| 17 | S | 77.5 | Confident | 74 | Confident | 65 Ų | 65 | 95.5 Ų | 95.5 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | Q13 A14 I15 N20 A21 | Q13-S17 PolarHBondContact O-N 2.98Å; Q13-S17 PolarHBondContact O-OG 3.08Å; Q13-S17 VanDerWaalsContact O-OG 3.13Å; A14-S17 WeakPolarHBondContact CA-OG 3.27Å; A14-S17 PolarHBondContact O-N 2.88Å; A14-S17 PolarHBondContact O-OG 3.02Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 2.84Å; S17-N20 PolarHBondContact O-N 3.41Å; S17-A21 WeakPolarHBondContact O-CB 3.34Å; S17-A21 PolarHBondContact O-N 2.68Å |
| 18 | D | 77.7 | Confident | 75.7 | Confident | 109 Ų | 109 | 93 Ų | 93 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.5 | -36.3 | 179.6 | -72 | -14.3 | 0 | 0 | 0 | 111.5 | A14 I15 A21 S22 | A14-D18 PolarHBondContact O-N 2.87Å; I15-D18 PolarHBondContact O-N 3.47Å; D18-A21 PolarHBondContact O-N 3.17Å; D18-S22 WeakPolarHBondContact O-CB 3.34Å; D18-S22 PolarHBondContact O-N 2.85Å; D18-S22 PolarHBondContact O-OG 3.02Å |
| 19 | L | 82.3 | Confident | 77.5 | Confident | 100 Ų | 100 | 96.9 Ų | 96.9 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 176.8 | -160.3 | 156.7 | 0 | 0 | 0 | 111.1 | I15 S22 L23 | I15-L19 VanDerWaalsContact O-CB 3.24Å; I15-L19 WeakPolarHBondContact O-CB 3.19Å; I15-L19 PolarHBondContact O-N 3.33Å; L19-S22 PolarHBondContact O-N 2.89Å; L19-L23 HydrophobicContact CD2-CD1 3.82Å; L19-L23 HydrophobicContact CD2-CG 4.34Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.31Å |
| 20 | N | 82.8 | Confident | 79 | Confident | 112 Ų | 112 | 94.5 Ų | 94.5 | 60% | 0.599 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.7 | -36.1 | 174.2 | -165.4 | 33.8 | 0 | 0 | 0 | 112.5 | D16 S17 L23 A24 | D16-N20 VanDerWaalsContact O-CB 3.22Å; D16-N20 WeakPolarHBondContact O-CB 3.26Å; D16-N20 PolarHBondContact O-N 3.38Å; S17-N20 PolarHBondContact O-N 3.41Å; N20-L23 PolarHBondContact O-N 3.21Å; N20-A24 PolarHBondContact O-N 2.89Å |
| 21 | A | 85.2 | Confident | 80.3 | Confident | 54 Ų | 54 | 93.2 Ų | 93.2 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S17 D18 L23 A24 V25 | S17-A21 WeakPolarHBondContact O-CB 3.34Å; S17-A21 PolarHBondContact O-N 2.68Å; D18-A21 PolarHBondContact O-N 3.17Å; A21-L23 VanDerWaalsContact C-N 3.34Å; A21-L23 PolarHBondContact O-N 3.15Å; A21-A24 PolarHBondContact O-N 2.92Å; A21-V25 PolarHBondContact O-N 2.97Å; A21-V25 VanDerWaalsContact O-N 3.11Å |
| 22 | S | 84.1 | Confident | 81.5 | Confident | 79 Ų | 79 | 93.9 Ų | 93.9 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -39.5 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | D18 L19 V25 A26 | D18-S22 WeakPolarHBondContact O-CB 3.34Å; D18-S22 PolarHBondContact O-N 2.85Å; D18-S22 PolarHBondContact O-OG 3.02Å; L19-S22 PolarHBondContact O-N 2.89Å; S22-V25 PolarHBondContact O-N 3.2Å; S22-A26 PolarHBondContact O-N 2.84Å |
| 23 | L | 86.3 | Confident | 82.8 | Confident | 102 Ų | 102 | 93.2 Ų | 93.2 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 172.8 | -78.1 | 167.8 | 0 | 0 | 0 | 112.1 | L19 N20 A21 V25 A26 D27 | L19-L23 HydrophobicContact CD2-CD1 3.82Å; L19-L23 HydrophobicContact CD2-CG 4.34Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.31Å; N20-L23 PolarHBondContact O-N 3.21Å; A21-L23 VanDerWaalsContact C-N 3.34Å; A21-L23 PolarHBondContact O-N 3.15Å; L23-V25 VanDerWaalsContact C-N 3.35Å; L23-V25 PolarHBondContact O-N 3.18Å; L23-A26 PolarHBondContact O-N 3.21Å; L23-D27 WeakPolarHBondContact O-CB 3.32Å; L23-D27 PolarHBondContact O-N 2.81Å |
| 24 | A | 84.1 | Confident | 83.5 | Confident | 56 Ų | 56 | 90.3 Ų | 90.3 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N20 A21 D27 E28 | N20-A24 PolarHBondContact O-N 2.89Å; A21-A24 PolarHBondContact O-N 2.92Å; A24-D27 PolarHBondContact O-N 2.8Å; A24-E28 PolarHBondContact O-N 2.98Å |
| 25 | V | 87.3 | Confident | 83.8 | Confident | 82 Ų | 82 | 91.5 Ų | 91.5 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 175.3 | 174 | 0 | 0 | 0 | 0 | 111.6 | A21 S22 L23 D27 E28 L29 | A21-V25 PolarHBondContact O-N 2.97Å; A21-V25 VanDerWaalsContact O-N 3.11Å; S22-V25 PolarHBondContact O-N 3.2Å; L23-V25 VanDerWaalsContact C-N 3.35Å; L23-V25 PolarHBondContact O-N 3.18Å; V25-D27 VanDerWaalsContact C-N 3.26Å; V25-D27 PolarHBondContact O-N 2.92Å; V25-E28 PolarHBondContact O-N 2.92Å; V25-L29 HydrophobicContact CG1-CD1 4.12Å; V25-L29 WeakPolarHBondContact O-CG 3.43Å; V25-L29 PolarHBondContact O-N 2.84Å |
| 26 | A | 87.1 | Confident | 83.8 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -36.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S22 L23 L29 S30 | S22-A26 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 3.21Å; A26-L29 PolarHBondContact O-N 3.06Å; A26-S30 WeakPolarHBondContact O-CB 3.29Å; A26-S30 PolarHBondContact O-N 3.47Å |
| 27 | D | 90.7 | Very high | 83.8 | Confident | 93 Ų | 93 | 93 Ų | 93 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75 | -26 | 179.6 | -149.9 | 57.6 | 0 | 0 | 0 | 112.6 | L23 A24 V25 K31 | L23-D27 WeakPolarHBondContact O-CB 3.32Å; L23-D27 PolarHBondContact O-N 2.81Å; A24-D27 PolarHBondContact O-N 2.8Å; V25-D27 VanDerWaalsContact C-N 3.26Å; V25-D27 PolarHBondContact O-N 2.92Å; D27-K31 VanDerWaalsContact CG-NZ 3.32Å; D27-K31 VanDerWaalsContact O-CG 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 3.29Å; D27-K31 PolarHBondContact O-NZ 3.11Å; D27-K31 IonicContact OD2-NZ 3.57Å; D27-K31 PolarHBondContact OD2-NZ 2.92Å |
| 28 | E | 88.3 | Confident | 83.3 | Confident | 137 Ų | 137 | 96.4 Ų | 96.4 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.1 | -47.2 | 166.2 | -75.4 | -164.3 | 146.5 | 0 | 0 | 111.9 | A24 V25 S30 K31 E32 | A24-E28 PolarHBondContact O-N 2.98Å; V25-E28 PolarHBondContact O-N 2.92Å; E28-S30 PolarHBondContact O-N 2.87Å; E28-K31 WeakPolarHBondContact O-CA 3.39Å; E28-K31 WeakPolarHBondContact O-CB 3.24Å; E28-K31 PolarHBondContact O-N 2.87Å; E28-E32 PolarHBondContact O-N 3.39Å |
| 29 | L | 88.1 | Confident | 82.8 | Confident | 116 Ų | 116 | 97.8 Ų | 97.8 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.3 | -35.3 | 177.4 | -69.3 | 171.6 | 0 | 0 | 0 | 112.3 | V25 A26 F33 | V25-L29 HydrophobicContact CG1-CD1 4.12Å; V25-L29 WeakPolarHBondContact O-CG 3.43Å; V25-L29 PolarHBondContact O-N 2.84Å; A26-L29 PolarHBondContact O-N 3.06Å; L29-F33 WeakPolarHBondContact O-CB 3.14Å; L29-F33 PolarHBondContact O-N 2.95Å |
| 30 | S | 87.2 | Confident | 81.8 | Confident | 64 Ų | 64 | 97 Ų | 97 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 172.7 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | A26 E28 S34 | A26-S30 WeakPolarHBondContact O-CB 3.29Å; A26-S30 PolarHBondContact O-N 3.47Å; E28-S30 PolarHBondContact O-N 2.87Å; S30-S34 VanDerWaalsContact O-CB 3.31Å; S30-S34 WeakPolarHBondContact O-CB 3.22Å; S30-S34 PolarHBondContact O-N 3.47Å; S30-S34 PolarHBondContact O-OG 3.22Å |
| 31 | K | 85.6 | Confident | 80.4 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.9 | -42.3 | 176.1 | -70.3 | 175.8 | -162 | 85.9 | 0 | 112 | D27 E28 S34 S35 | D27-K31 VanDerWaalsContact CG-NZ 3.32Å; D27-K31 VanDerWaalsContact O-CG 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 3.29Å; D27-K31 PolarHBondContact O-NZ 3.11Å; D27-K31 IonicContact OD2-NZ 3.57Å; D27-K31 PolarHBondContact OD2-NZ 2.92Å; E28-K31 WeakPolarHBondContact O-CA 3.39Å; E28-K31 WeakPolarHBondContact O-CB 3.24Å; E28-K31 PolarHBondContact O-N 2.87Å; K31-S34 PolarHBondContact O-N 3.29Å; K31-S35 WeakPolarHBondContact O-CB 3.41Å; K31-S35 PolarHBondContact O-N 3.4Å |
| 32 | E | 87.3 | Confident | 78.7 | Confident | 129 Ų | 129 | 97.7 Ų | 97.7 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.1 | -48.9 | 172.9 | -74.6 | -63.6 | 151.1 | 0 | 0 | 111.1 | E28 S34 S35 M36 | E28-E32 PolarHBondContact O-N 3.39Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 3.29Å; E32-S35 PolarHBondContact O-N 3.02Å; E32-M36 WeakPolarHBondContact O-CB 3.41Å; E32-M36 PolarHBondContact O-N 2.93Å |
| 33 | F | 87.7 | Confident | 77 | Confident | 128 Ų | 128 | 101.2 Ų | 101.2 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.2 | -40.9 | 176 | -174.3 | -106.4 | 0 | 0 | 0 | 112.5 | L29 M36 L37 | L29-F33 WeakPolarHBondContact O-CB 3.14Å; L29-F33 PolarHBondContact O-N 2.95Å; F33-M36 PolarHBondContact O-N 2.69Å; F33-L37 HydrophobicContact CD1-CD1 3.98Å; F33-L37 HydrophobicContact CE1-CD1 3.57Å; F33-L37 HydrophobicContact CE1-CG 4.39Å; F33-L37 HydrophobicContact CZ-CD1 4.03Å; F33-L37 HydrophobicContact CZ-CG 4.48Å; F33-L37 WeakPolarHBondContact O-CG 3.43Å; F33-L37 PolarHBondContact O-N 2.83Å; F33-L37 VanDerWaalsContact O-N 3.07Å |
| 34 | S | 80.8 | Confident | 75.2 | Confident | 66 Ų | 66 | 103.6 Ų | 103.6 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.1 | -39.2 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | S30 K31 E32 L37 Q38 | S30-S34 VanDerWaalsContact O-CB 3.31Å; S30-S34 WeakPolarHBondContact O-CB 3.22Å; S30-S34 PolarHBondContact O-N 3.47Å; S30-S34 PolarHBondContact O-OG 3.22Å; K31-S34 PolarHBondContact O-N 3.29Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 3.29Å; S34-L37 PolarHBondContact O-N 3.3Å; S34-Q38 WeakPolarHBondContact O-CB 3.26Å; S34-Q38 PolarHBondContact O-N 3.25Å |
| 35 | S | 77.7 | Confident | 73.3 | Confident | 70 Ų | 70 | 108.8 Ų | 108.8 | 49% | 0.49 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.6 | -41.4 | 176.5 | -166.2 | 0 | 0 | 0 | 0 | 111.5 | K31 E32 L37 Q38 E39 | K31-S35 WeakPolarHBondContact O-CB 3.41Å; K31-S35 PolarHBondContact O-N 3.4Å; E32-S35 PolarHBondContact O-N 3.02Å; S35-L37 VanDerWaalsContact C-N 3.34Å; S35-L37 PolarHBondContact O-N 3.36Å; S35-Q38 WeakPolarHBondContact O-CB 3.47Å; S35-Q38 PolarHBondContact O-N 2.9Å; S35-Q38 VanDerWaalsContact O-N 3.14Å; S35-E39 WeakPolarHBondContact O-CB 3.44Å; S35-E39 PolarHBondContact O-N 3.38Å |
| 36 | M | 75.2 | Confident | 70.8 | Confident | 121 Ų | 121 | 111.3 Ų | 111.3 | 60% | 0.596 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63 | -38.7 | 176.7 | -164.8 | -176.5 | -58.3 | 0 | 0 | 112.1 | E32 F33 A40 | E32-M36 WeakPolarHBondContact O-CB 3.41Å; E32-M36 PolarHBondContact O-N 2.93Å; F33-M36 PolarHBondContact O-N 2.69Å; M36-A40 WeakPolarHBondContact O-CB 3.46Å; M36-A40 PolarHBondContact O-N 2.71Å |
| 37 | L | 76.8 | Confident | 68.5 | Low | 99 Ų | 99 | 115.2 Ų | 115.2 | 52% | 0.518 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.8 | -37.8 | 171.5 | -71.2 | 174.1 | 0 | 0 | 0 | 112.5 | F33 S34 S35 S41 | F33-L37 HydrophobicContact CD1-CD1 3.98Å; F33-L37 HydrophobicContact CE1-CD1 3.57Å; F33-L37 HydrophobicContact CE1-CG 4.39Å; F33-L37 HydrophobicContact CZ-CD1 4.03Å; F33-L37 HydrophobicContact CZ-CG 4.48Å; F33-L37 WeakPolarHBondContact O-CG 3.43Å; F33-L37 PolarHBondContact O-N 2.83Å; F33-L37 VanDerWaalsContact O-N 3.07Å; S34-L37 PolarHBondContact O-N 3.3Å; S35-L37 VanDerWaalsContact C-N 3.34Å; S35-L37 PolarHBondContact O-N 3.36Å; L37-S41 WeakPolarHBondContact O-CB 3.34Å; L37-S41 PolarHBondContact O-N 3.25Å |
| 38 | Q | 67.5 | Low | 66.2 | Low | 137 Ų | 137 | 116.8 Ų | 116.8 | 64% | 0.64 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.3 | -40.2 | 176.6 | -167.4 | 70.8 | 71.6 | 0 | 0 | 111.5 | S34 S35 S41 S42 | S34-Q38 WeakPolarHBondContact O-CB 3.26Å; S34-Q38 PolarHBondContact O-N 3.25Å; S35-Q38 WeakPolarHBondContact O-CB 3.47Å; S35-Q38 PolarHBondContact O-N 2.9Å; S35-Q38 VanDerWaalsContact O-N 3.14Å; Q38-S41 PolarHBondContact O-N 2.94Å; Q38-S42 PolarHBondContact O-N 3.35Å |
| 39 | E | 67.6 | Low | 63.5 | Low | 139 Ų | 139 | 115.1 Ų | 115.1 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.7 | -48.9 | 176.3 | -172.8 | 170.8 | -165.2 | 0 | 0 | 111.1 | S35 S41 S42 | S35-E39 WeakPolarHBondContact O-CB 3.44Å; S35-E39 PolarHBondContact O-N 3.38Å; E39-S41 PolarHBondContact O-N 3.42Å; E39-S42 PolarHBondContact O-N 3.21Å; E39-S42 PolarHBondContact O-OG 3.4Å |
| 40 | A | 60.8 | Low | 60.7 | Low | 83 Ų | 83 | 116.8 Ų | 116.8 | 69% | 0.686 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -58.5 | -30.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M36 | M36-A40 WeakPolarHBondContact O-CB 3.46Å; M36-A40 PolarHBondContact O-N 2.71Å |
| 41 | S | 53.5 | Low | 58 | Low | 95 Ų | 95 | 118.6 Ų | 118.6 | 66% | 0.664 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -7 | 176.8 | -174.6 | 0 | 0 | 0 | 0 | 114.6 | L37 Q38 E39 | L37-S41 WeakPolarHBondContact O-CB 3.34Å; L37-S41 PolarHBondContact O-N 3.25Å; Q38-S41 PolarHBondContact O-N 2.94Å; E39-S41 PolarHBondContact O-N 3.42Å |
| 42 | S | 49.3 | Very low | 55.4 | Low | 85 Ų | 85 | 121.9 Ų | 121.9 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -11.1 | -169.6 | 69.6 | 0 | 0 | 0 | 0 | 115.1 | Q38 E39 D44 | Q38-S42 PolarHBondContact O-N 3.35Å; E39-S42 PolarHBondContact O-N 3.21Å; E39-S42 PolarHBondContact O-OG 3.4Å; S42-D44 VanDerWaalsContact C-N 3.33Å; S42-D44 PolarHBondContact O-N 2.9Å |
| 43 | N | 48.8 | Very low | 52.6 | Low | 154 Ų | 154 | 121.8 Ų | 121.8 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | trans | -94.7 | 36.9 | -163.7 | -154 | 24.5 | 0 | 0 | 0 | 114.5 | ||||
| 44 | D | 48.3 | Very low | 49.8 | Very low | 151 Ų | 151 | 120.5 Ų | 120.5 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | -140.3 | 93 | -180 | -146.1 | -10.9 | 0 | 0 | 0 | 109.7 | S42 | S42-D44 VanDerWaalsContact C-N 3.33Å; S42-D44 PolarHBondContact O-N 2.9Å | ||
| 45 | Q | 43.6 | Very low | 47.4 | Very low | 166 Ų | 166 | 122.2 Ų | 122.2 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | 166.6 | 152.1 | 154.6 | -86.1 | -94.5 | -20.1 | 0 | 0 | 112.6 | ||||
| 46 | N | 34.8 | Very low | 45.1 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 72.2 | 84.9 | 162.9 | -60.8 | -49.5 | 0 | 0 | 0 | 120.8 | ||||
| 47 | T | 39.3 | Very low | 42.9 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | -66.7 | 146.7 | 140.1 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 48 | P | 42.8 | Very low | 40.6 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -139.7 | 165.8 | 131.7 | 37.5 | -25.3 | 0 | 0 | 0 | 114.9 | ||||
| 49 | S | 30.1 | Very low | 38.9 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -103.7 | 158 | -175.1 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 50 | D | 30.2 | Very low | 37 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | 49.8 | 117.8 | 152 | -71.1 | -32.8 | 0 | 0 | 0 | 118.7 | ||||
| 51 | S | 30.7 | Very low | 35.6 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 172 | 151.7 | 62.6 | 42.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 52 | K | 30 | Very low | 34.6 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 48.8 | 123.2 | 142.2 | -67.4 | 178 | -180 | 170.9 | 0 | 122.7 | ||||
| 53 | T | 28.7 | Very low | 33.7 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 85.9 | 125.7 | 132.3 | 47.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 54 | S | 29.3 | Very low | 32.9 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 83.3 | 108.5 | 134 | 59.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 55 | S | 29.8 | Very low | 32.2 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | 86.3 | 133.2 | 116.7 | 67.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 56 | S | 29.5 | Very low | 31.4 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 62.4 | 118.7 | 145.4 | 48.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 57 | V | 29.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | 99.4 | 102.7 | 52.7 | 164 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 58 | S | 28.7 | Very low | 31.8 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | 67.6 | 131 | 140.5 | -62.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 59 | R | 31.6 | Very low | 31.3 | Very low | 223 Ų | 223 | 132.2 Ų | 132.2 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | 73.9 | 155.5 | 145.5 | -76.1 | -180 | 176.8 | 133.6 | 1.5 | 117.7 | ||||
| 60 | D | 28.9 | Very low | 31.4 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | cis | -151.9 | 167 | 6.2 | -135.9 | -22.7 | 0 | 0 | 0 | 115.1 | ||||
| 61 | R | 30.7 | Very low | 32.3 | Very low | 220 Ų | 220 | 134.2 Ų | 134.2 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | 60.5 | 120 | 151.7 | -74.6 | 169.8 | -175.7 | -128.6 | -5.6 | 124.7 | ||||
| 62 | H | 32.6 | Very low | 32.3 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -35.3 | 160.1 | 152.6 | -60.5 | -98.7 | 0 | 0 | 0 | 119.3 | ||||
| 63 | L | 29.7 | Very low | 32.3 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | -149 | 168.2 | 125.1 | -110.3 | 173.3 | 0 | 0 | 0 | 113.1 | |||||
| 64 | S | 32.3 | Very low | 32.4 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -82.1 | 148.2 | -144.8 | -168.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 65 | S | 33.6 | Very low | 32.4 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 58.1 | 129.2 | 136.9 | 61.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 66 | G | 27.1 | Very low | 32.4 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 173.3 | 108.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 67 | P | 52.8 | Low | 32.4 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -96.2 | 151.5 | -173.9 | 36.2 | -33.8 | 0 | 0 | 0 | 114.1 | ||||
| 68 | S | 29.3 | Very low | 32.5 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | trans | -147.3 | 160 | 165.3 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 69 | S | 32.1 | Very low | 32.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -150.9 | 149.7 | -179 | 54.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 70 | L | 32 | Very low | 32.5 | Very low | 166 Ų | 166 | 130 Ų | 130 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 65.7 | 130.1 | 172.9 | -54.8 | 174.1 | 0 | 0 | 0 | 117.5 | ||||
| 71 | P | 50.4 | Low | 32.8 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -99.3 | 162.4 | 165.6 | 37.4 | -31.8 | 0 | 0 | 0 | 113.1 | ||||
| 72 | S | 29 | Very low | 33 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -96.8 | 176.8 | -175.9 | -56.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 73 | S | 30.3 | Very low | 32.9 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -110 | 163.7 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 74 | T | 31.5 | Very low | 33.2 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 72.2 | 123.8 | 152.8 | -28.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 75 | Y | 28.8 | Very low | 33.3 | Very low | 211 Ų | 211 | 120.6 Ų | 120.6 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | 175.8 | 119.6 | 111.6 | -109.6 | -96.5 | 0 | 0 | 0 | 115.3 | |||||
| 76 | S | 29.9 | Very low | 33.5 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | trans | 42.9 | 124.2 | 134.5 | -49.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 77 | S | 30.2 | Very low | 34 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | 73.1 | 120.6 | 119.9 | 71.8 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 78 | S | 31 | Very low | 33.1 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 70.5 | 121.1 | 130.1 | 65.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 79 | S | 29.2 | Very low | 33.6 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -160.1 | 174.8 | 143.5 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 80 | T | 31.8 | Very low | 34.7 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -145.3 | 155.6 | -153.3 | 52.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 81 | N | 33.4 | Very low | 34.6 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 68.9 | 155.7 | 161 | -62.1 | 13.6 | 0 | 0 | 0 | 116.8 | ||||
| 82 | D | 34.9 | Very low | 33.6 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | cis | -166 | 156.2 | -23 | -119.7 | -47.1 | 0 | 0 | 0 | 109.4 | ||||
| 83 | S | 31.1 | Very low | 34.6 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -177.8 | 95.7 | 152.2 | -83.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 84 | S | 36.3 | Very low | 34.4 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 57.2 | 145.8 | 131.4 | 54.5 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 85 | S | 35.1 | Very low | 34.3 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 68.5 | 109 | 162.6 | 53.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 86 | S | 38 | Very low | 34.3 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | 87 | 130.4 | 52.5 | 73.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 87 | S | 37.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -151.6 | -176.6 | -4.3 | 72.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 88 | S | 33.7 | Very low | 34.4 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | cis | -152.5 | 167.4 | 36.9 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 89 | K | 39.4 | Very low | 34.2 | Very low | 192 Ų | 192 | 127.5 Ų | 127.5 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | cis | 100.5 | 141.6 | 26.3 | -86.1 | -167.2 | 177 | -172.4 | 0 | 115.1 | ||||
| 90 | P | 54.6 | Low | 34.2 | Very low | 95 Ų | 95 | 126 Ų | 126 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | -149.9 | -165.1 | -108.2 | 42 | -19.9 | 0 | 0 | 0 | 117 | |||||
| 91 | F | 29.3 | Very low | 33.9 | Very low | 197 Ų | 197 | 127.4 Ų | 127.4 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | 138.7 | 142.7 | 137.3 | -86.9 | -66.6 | 0 | 0 | 0 | 117.4 | ||||
| 92 | S | 29.6 | Very low | 33.6 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -92.2 | -161.4 | 168.7 | -34.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 93 | P | 50.4 | Low | 33.4 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | cis | -141.2 | -177.4 | -1.1 | 42.8 | -23 | 0 | 0 | 0 | 117.3 | ||||
| 94 | N | 27.3 | Very low | 33.4 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 35.8 | 120.2 | 147.1 | -73.1 | 5.4 | 0 | 0 | 0 | 124 | ||||
| 95 | S | 29.3 | Very low | 33 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | 52.5 | 129.3 | 119.3 | -167.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 96 | T | 28.7 | Very low | 32.8 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | -176.6 | 163.4 | 115.6 | 22.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 97 | Y | 32.7 | Very low | 32.4 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | 77.2 | 132 | 168.2 | -46.8 | -60.5 | 0 | 0 | 0 | 117.1 | ||||
| 98 | N | 29.2 | Very low | 32.2 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | cis | 82.6 | 140.1 | 39.2 | -65.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 99 | T | 26.3 | Very low | 32.1 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | cis | -167 | 163.5 | -2.6 | 17.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 100 | S | 29.3 | Very low | 31.8 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | trans | 54.7 | 118.7 | 143.3 | 65.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 101 | D | 26.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | 69 | 141.3 | 122.4 | -63.3 | -52.9 | 0 | 0 | 0 | 126 | |||||
| 102 | S | 27.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 101.3 | 113.9 | 135.8 | 72.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 103 | V | 30.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | 48.1 | 121.9 | 125.5 | -176.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 104 | F | 29.9 | Very low | 33 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | -179.6 | 124.9 | 126.9 | -86.5 | -66.7 | 0 | 0 | 0 | 106.3 | |||||
| 105 | S | 28.3 | Very low | 33.2 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | cis | 89.2 | 146.7 | 36.8 | -54.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 106 | I | 30.9 | Very low | 33.3 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | trans | 85 | 103.5 | 173.2 | -56.8 | 172.7 | 0 | 0 | 0 | 114.7 | ||||
| 107 | S | 29.6 | Very low | 33.3 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | 85.1 | 150.4 | 87.2 | -134.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 108 | R | 33.8 | Very low | 33.1 | Very low | 209 Ų | 209 | 129.3 Ų | 129.3 | 79% | 0.789 | 75% | 0.754 | S | S | * | * | cis | -163 | 161.8 | 11.2 | -159.4 | -179.4 | -80.7 | -169 | -6.9 | 111.6 | ||||
| 109 | N | 31.2 | Very low | 33.3 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 132 | 138.3 | 140.1 | -68.5 | -19.7 | 0 | 0 | 0 | 116.9 | ||||
| 110 | A | 33.3 | Very low | 34.6 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -132.8 | -171.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 111 | P | 49.5 | Very low | 34.6 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | cis | -139.7 | -166.1 | 16.3 | 41.8 | -19.3 | 0 | 0 | 0 | 117 | ||||
| 112 | S | 29.2 | Very low | 34.7 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -79.7 | -165.4 | -179.7 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 113 | P | 59.1 | Low | 35.2 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | cis | -128 | -149.5 | 0.4 | 44.2 | -23.7 | 0 | 0 | 0 | 111.7 | ||||
| 114 | P | 51.1 | Low | 36.1 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | cis | -131.3 | -120 | -4.9 | 40.7 | -17.8 | 0 | 0 | 0 | 115.7 | ||||
| 115 | V | 31.8 | Very low | 36.3 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -151 | 155.6 | -159.4 | -162.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 116 | L | 30.7 | Very low | 36.3 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | 132.3 | 164.4 | 143.6 | -75.2 | 176.4 | 0 | 0 | 0 | 118.1 | ||||
| 117 | S | 29.9 | Very low | 36.3 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | -100.5 | 151.2 | -159.9 | 55.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 118 | N | 29 | Very low | 36.3 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | 174.7 | 163.4 | 125.5 | -86.9 | -13.1 | 0 | 0 | 0 | 112.8 | |||||
| 119 | S | 33 | Very low | 36 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -93.3 | -175.2 | 165.8 | 63 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 120 | P | 52 | Low | 35.9 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -139.9 | -166.7 | 3.4 | 41.3 | -20.5 | 0 | 0 | 0 | 116 | ||||
| 121 | H | 30 | Very low | 36 | Very low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | 59.4 | 122.8 | 157.5 | -66.7 | -53.5 | 0 | 0 | 0 | 121.8 | ||||
| 122 | S | 29.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | 166.6 | 160.5 | 106.9 | -76.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 123 | S | 37.1 | Very low | 35.4 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -138.6 | 158 | 175.1 | -41.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 124 | P | 50.2 | Low | 34.2 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -98.3 | 131.4 | 156 | 9.1 | 11.3 | 0 | 0 | 0 | 110.5 | ||||
| 125 | K | 33.3 | Very low | 33.3 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | 68.3 | 133.4 | 70.4 | -66.8 | 175.2 | -178.4 | 174.5 | 0 | 112.4 | |||||
| 126 | M | 29 | Very low | 33.5 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | cis | -130.3 | 159.9 | 19.7 | -50.2 | -110.3 | 47.3 | 0 | 0 | 110.2 | ||||
| 127 | H | 31.4 | Very low | 33.6 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | cis | 61.8 | 143.5 | 44.1 | -81.9 | -61.9 | 0 | 0 | 0 | 114.8 | ||||
| 128 | R | 29.2 | Very low | 33.7 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | cis | -175.6 | 140.2 | -11.2 | 176.6 | -175.5 | -168.1 | 176.1 | 0.7 | 110.5 | V130 | R128-V130 HydrophobicContact CG-CG2 3.88Å; R128-V130 VanDerWaalsContact NE-CG2 3.34Å | ||
| 129 | V | 26.2 | Very low | 34.1 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 92% | 0.915 | 74% | 0.738 | S | S | * | * | trans | -131.5 | 153.6 | 164.9 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 130 | V | 30.6 | Very low | 34.2 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 48% | 0.479 | 74% | 0.74 | S | S | . | * | trans | -150.8 | 127.2 | -156.6 | 149.2 | 0 | 0 | 0 | 0 | 115 | R128 | R128-V130 HydrophobicContact CG-CG2 3.88Å; R128-V130 VanDerWaalsContact NE-CG2 3.34Å | ||
| 131 | H | 34.5 | Very low | 33.3 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.787 | 74% | 0.738 | S | S | * | * | trans | 63.8 | 173 | 154 | -66.2 | -26.7 | 0 | 0 | 0 | 118.1 | ||||
| 132 | N | 31.6 | Very low | 33.4 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -158.9 | 178 | 24.3 | -156.9 | 1.3 | 0 | 0 | 0 | 115.9 | ||||
| 133 | T | 34.9 | Very low | 33.4 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | 95.8 | 136.2 | 168.5 | 69 | 0 | 0 | 0 | 0 | 118 | ||||
| 134 | H | 32.8 | Very low | 33 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | cis | -153.5 | -132.6 | -24.5 | -151.9 | 54.6 | 0 | 0 | 0 | 115.5 | ||||
| 135 | R | 32.9 | Very low | 32.2 | Very low | 210 Ų | 210 | 144.5 Ų | 144.5 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -106.5 | 173.7 | -168.8 | -66.4 | 174.7 | 168.1 | -178.4 | -10.9 | 112.5 | ||||
| 136 | R | 36 | Very low | 33.3 | Very low | 222 Ų | 222 | 141.4 Ų | 141.4 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | cis | -159.5 | 175.9 | 14.9 | -147 | -170.6 | 171.2 | 176.9 | -4.2 | 106.8 | ||||
| 137 | T | 33.9 | Very low | 33.3 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | cis | -162.1 | 171.5 | 4.9 | -22.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 138 | G | 30.3 | Very low | 33.5 | Very low | 57 Ų | 57 | 141.6 Ų | 141.6 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | cis | 143.3 | 159.9 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 139 | S | 38.6 | Very low | 34.7 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 61.8 | 129 | 171.3 | 45.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 140 | D | 35.3 | Very low | 35 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | cis | -151.8 | 150.5 | -0.8 | -89.2 | -36.4 | 0 | 0 | 0 | 115.2 | ||||
| 141 | G | 32.3 | Very low | 35 | Very low | 58 Ų | 58 | 145.1 Ų | 145.1 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | trans | 84.9 | 178.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 142 | Y | 32 | Very low | 34.9 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | cis | -173.8 | 151.6 | -30.3 | -83.9 | -42.3 | 0 | 0 | 0 | 108.6 | ||||
| 143 | V | 30.1 | Very low | 35.8 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | cis | -164.2 | 157.8 | -30.7 | 83.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 144 | F | 28.8 | Very low | 35.5 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | 70.2 | 150.9 | 167.5 | -98.3 | -96.4 | 0 | 0 | 0 | 122 | ||||
| 145 | T | 33.2 | Very low | 35.7 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -139.7 | -167.4 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 146 | P | 55.8 | Low | 36.3 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -112.4 | 165.8 | -83.8 | 39.1 | -26.7 | 0 | 0 | 0 | 113.7 | |||||
| 147 | Q | 28.5 | Very low | 36.2 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -161.9 | 148.7 | 164.5 | -120.4 | 163.5 | 68.1 | 0 | 0 | 114.7 | ||||
| 148 | S | 35.8 | Very low | 36.9 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -113.2 | -174.8 | 167.9 | -49.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 149 | P | 55.3 | Low | 36.8 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | cis | -132.2 | -172.6 | -9.8 | 42.9 | -27.4 | 0 | 0 | 0 | 113.2 | ||||
| 150 | K | 30.9 | Very low | 36.8 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | 178.4 | 175.4 | 137.3 | -99.5 | 158.7 | -173 | 175.8 | 0 | 116 | ||||
| 151 | Q | 31.2 | Very low | 37.4 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -83.3 | 171.3 | -161.6 | -65.2 | 148.2 | -42.4 | 0 | 0 | 116.3 | ||||
| 152 | A | 33.3 | Very low | 37.4 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -83.1 | -177.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 153 | P | 48.9 | Very low | 37.3 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | -155.9 | 171.8 | 97.7 | 42.7 | -25.5 | 0 | 0 | 0 | 118.9 | |||||
| 154 | R | 29.8 | Very low | 37.3 | Very low | 247 Ų | 247 | 145.6 Ų | 145.6 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | 83.4 | 146.4 | 152.8 | -78.8 | 173.5 | -174.6 | -145 | -0.7 | 122.4 | ||||
| 155 | S | 36.5 | Very low | 37.3 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -123 | -175.2 | 170.6 | 56.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 156 | P | 46 | Very low | 37 | Very low | 122 Ų | 122 | 147 Ų | 147 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | -146.5 | 178.4 | 98.6 | 39.8 | -24.3 | 0 | 0 | 0 | 115.7 | |||||
| 157 | R | 34.8 | Very low | 36 | Very low | 210 Ų | 210 | 145.9 Ų | 145.9 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -88.9 | 175.8 | 164.3 | -63.1 | 179.5 | 173.5 | 172.8 | -3.7 | 110.8 | ||||
| 158 | P | 47.7 | Very low | 36.8 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | -145.4 | 178.3 | 90.2 | 39 | -23.5 | 0 | 0 | 0 | 113.9 | |||||
| 159 | D | 27.8 | Very low | 36.5 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | cis | -161.8 | 175.9 | -39.9 | -93.7 | -34.8 | 0 | 0 | 0 | 109.3 | ||||
| 160 | S | 38.9 | Very low | 35.2 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -118.7 | 167.5 | 173.1 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 161 | P | 48.2 | Very low | 35 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -118.2 | 138.4 | 145.6 | 33.5 | -24.4 | 0 | 0 | 0 | 111.2 | ||||
| 162 | S | 32.6 | Very low | 35 | Very low | 89 Ų | 89 | 139.6 Ų | 139.6 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | cis | 75 | 137.9 | 28.1 | 89.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 163 | Y | 30.4 | Very low | 34.6 | Very low | 189 Ų | 189 | 140 Ų | 140 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | cis | -126.1 | -176.2 | -1.3 | -82.3 | -98.1 | 0 | 0 | 0 | 108.8 | ||||
| 164 | F | 29.9 | Very low | 33.8 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 77% | 0.772 | 75% | 0.752 | S | S | * | * | cis | -134.2 | 169.6 | 13.2 | -72.9 | -87.3 | 0 | 0 | 0 | 108.8 | ||||
| 165 | E | 27.7 | Very low | 33.8 | Very low | 124 Ų | 124 | 140 Ų | 140 | 58% | 0.579 | 74% | 0.743 | S | S | * | * | cis | 81.4 | 88.2 | 32 | -149.8 | -143 | 140 | 0 | 0 | 116.5 | ||||
| 166 | R | 26.8 | Very low | 33.3 | Very low | 224 Ų | 224 | 141.8 Ų | 141.8 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | 176.8 | 149.1 | 107 | -94.9 | -169.3 | 179.9 | -160.8 | -2.4 | 114.8 | |||||
| 167 | S | 34.9 | Very low | 32.5 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | -108.1 | 164.5 | 150.6 | -171.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 168 | P | 45.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | -147.4 | -172.6 | 97.5 | 40 | -23.1 | 0 | 0 | 0 | 114.6 | |||||
| 169 | Q | 29.3 | Very low | 31.6 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -87.2 | 164.5 | -172.6 | -57.8 | 84 | -11.6 | 0 | 0 | 115 | ||||
| 170 | G | 27.3 | Very low | 32.6 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | 114.3 | 159.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 171 | L | 28.2 | Very low | 32.1 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | cis | -167.4 | 165.7 | -10.7 | -122.3 | 164.9 | 0 | 0 | 0 | 108.5 | ||||
| 172 | I | 31 | Very low | 31.2 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | 70 | 102.1 | 161.7 | -58.7 | 158.5 | 0 | 0 | 0 | 118 | ||||
| 173 | S | 25.2 | Very low | 31 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 18.7 | 126.8 | 126.8 | -166.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 174 | Q | 31.6 | Very low | 31 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | -166.4 | 147.9 | 103.5 | -103.2 | -170 | 43 | 0 | 0 | 113.6 | |||||
| 175 | R | 29 | Very low | 31.2 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | 41.2 | 127 | 151.4 | -71.4 | -165 | 141.5 | 137.4 | 0.6 | 121.1 | ||||
| 176 | E | 27.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | 71.1 | 122.9 | 59.9 | -171.8 | -175 | -144.1 | 0 | 0 | 112 | |||||
| 177 | R | 28.8 | Very low | 31.4 | Very low | 216 Ų | 216 | 135 Ų | 135 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | cis | -170.3 | 151.4 | -4.2 | 166.2 | 175.1 | -175.4 | -167.1 | 2.7 | 112.2 | ||||
| 178 | S | 29.9 | Very low | 31.2 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 58% | 0.58 | 77% | 0.774 | S | S | * | * | trans | 47.6 | 112.8 | 157.7 | -63 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 179 | Q | 32.5 | Very low | 30.6 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | 62.6 | -164.6 | 127.7 | -55.8 | -175.9 | -30.8 | 0 | 0 | 118 | |||||
| 180 | P | 48.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -133.2 | -170.4 | -97.2 | 43.4 | -26.1 | 0 | 0 | 0 | 115.8 | |||||
| 181 | S | 29.2 | Very low | 32 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 98.1 | 136.9 | 150 | 74 | 0 | 0 | 0 | 0 | 122 | ||||
| 182 | S | 29.2 | Very low | 33.2 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 40.7 | 135.1 | 145.9 | 62.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 183 | W | 28.4 | Very low | 33.1 | Very low | 255 Ų | 255 | 141.1 Ų | 141.1 | 97% | 0.966 | 77% | 0.77 | S | S | * | * | trans | -137.1 | 151.7 | 155.9 | -91.3 | 70.3 | 0 | 0 | 0 | 110.6 | ||||
| 184 | T | 30.7 | Very low | 34.3 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -153.4 | 151.1 | -169 | 48.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 185 | A | 34.5 | Very low | 34.3 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | 89.2 | 127.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 186 | G | 28.8 | Very low | 35.6 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | 98.6 | 152.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 187 | S | 29.2 | Very low | 35.8 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | cis | -175.6 | 143.1 | -22.6 | -170.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 188 | L | 30.3 | Very low | 35.8 | Very low | 178 Ų | 178 | 132 Ų | 132 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | trans | 167.7 | 163.8 | 145.2 | -92.8 | 161.3 | 0 | 0 | 0 | 114.7 | ||||
| 189 | E | 33.2 | Very low | 35.7 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -105.6 | -174.6 | -175.7 | -126.7 | -134.3 | 124.8 | 0 | 0 | 111.5 | S191 | E189-S191 PolarHBondContact OE1-N 2.93Š| ||
| 190 | P | 48.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | -140.2 | 171 | 23.7 | 41.6 | -20.1 | 0 | 0 | 0 | 121.3 | ||||
| 191 | S | 37.5 | Very low | 34.9 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | trans | -82.9 | 173.4 | 175.1 | -165.9 | 0 | 0 | 0 | 0 | 115.1 | E189 | E189-S191 PolarHBondContact OE1-N 2.93Š| ||
| 192 | P | 52.5 | Low | 34.8 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -145.5 | -178.4 | 98.9 | 39.6 | -23.3 | 0 | 0 | 0 | 117.1 | |||||
| 193 | R | 30.8 | Very low | 34.8 | Very low | 223 Ų | 223 | 139.4 Ų | 139.4 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -116.3 | 175.7 | -170 | -133.5 | -177.6 | -159.4 | -166.2 | 6.9 | 111.6 | ||||
| 194 | P | 49.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -151.5 | -172.6 | 72.9 | 39.5 | -17.5 | 0 | 0 | 0 | 116.9 | |||||
| 195 | A | 32.7 | Very low | 35.1 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | -116.7 | -121.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 196 | P | 54.6 | Low | 35.5 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | cis | -141.7 | -166.5 | -4.1 | 29.9 | -2 | 0 | 0 | 0 | 116.1 | ||||
| 197 | H | 31.6 | Very low | 35.5 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 80.1 | 145.6 | 157.9 | -57.1 | -37.4 | 0 | 0 | 0 | 120.5 | ||||
| 198 | Q | 30.3 | Very low | 35.3 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | cis | -155.9 | -172.9 | -8.5 | -123.5 | 169.1 | -8.1 | 0 | 0 | 113.6 | ||||
| 199 | M | 27.5 | Very low | 35.2 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -135.4 | 150.8 | -167.8 | -51.2 | 170 | 75 | 0 | 0 | 115.7 | ||||
| 200 | S | 29.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -173 | 141.8 | 148.9 | 43.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 201 | Q | 33.5 | Very low | 34 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | 65.7 | 130.1 | 56.1 | -63.6 | -168.5 | 22.7 | 0 | 0 | 113.2 | |||||
| 202 | S | 27.3 | Very low | 33.5 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | cis | -171.1 | 168.2 | 5 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 203 | L | 29.1 | Very low | 32.4 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | 81.3 | 142.6 | 147.7 | -79.7 | 165.5 | 0 | 0 | 0 | 123.9 | ||||
| 204 | L | 29.5 | Very low | 32.4 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | 79.5 | 146.8 | 152.6 | -69.6 | 165.9 | 0 | 0 | 0 | 123.4 | ||||
| 205 | T | 36.6 | Very low | 31.5 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -129.3 | 154.2 | 169.6 | 57.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 206 | P | 42.8 | Very low | 31.5 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -156.5 | 176.5 | 69.9 | 43.6 | -22.3 | 0 | 0 | 0 | 118.3 | |||||
| 207 | Y | 28.2 | Very low | 31.1 | Very low | 217 Ų | 217 | 150.5 Ų | 150.5 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 33.4 | 139.5 | 149 | -109.6 | -101.2 | 0 | 0 | 0 | 125.8 | ||||
| 208 | D | 26.7 | Very low | 31.1 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 91.7 | 163.7 | 140.2 | -124.8 | -31.9 | 0 | 0 | 0 | 123.3 | ||||
| 209 | S | 27.1 | Very low | 31.9 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 81 | 85.9 | 169.8 | -65.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 210 | N | 27 | Very low | 31.9 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -15.7 | 138.5 | 146.2 | -90 | -68.1 | 0 | 0 | 0 | 119.7 | ||||
| 211 | Q | 30.6 | Very low | 31.9 | Very low | 148 Ų | 148 | 149.7 Ų | 149.7 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | 81.8 | 139.6 | 132.5 | -78.8 | -172.1 | 55 | 0 | 0 | 123.6 | ||||
| 212 | M | 27.1 | Very low | 31.7 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | trans | 72.3 | 146.5 | 154.8 | -67.5 | -150.3 | -168.4 | 0 | 0 | 119.3 | ||||
| 213 | S | 28.6 | Very low | 32.6 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | cis | -171 | 172.7 | -16.3 | -102.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 214 | R | 31.4 | Very low | 32.6 | Very low | 233 Ų | 233 | 144.2 Ų | 144.2 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | 83.1 | 114.3 | 157.9 | -49.5 | -167.5 | 179.5 | -100.4 | -3.7 | 119.3 | ||||
| 215 | R | 29.2 | Very low | 32.6 | Very low | 254 Ų | 254 | 141.8 Ų | 141.8 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | -143 | 128.5 | 97.9 | -104.6 | -176.1 | -177.5 | -140.4 | -0.2 | 111.9 | |||||
| 216 | S | 33.8 | Very low | 32.2 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -132 | 165.1 | 167.7 | -45.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 217 | P | 46.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | -130.5 | 156.2 | 88.5 | 7.7 | 16.2 | 0 | 0 | 0 | 112.7 | |||||
| 218 | Q | 30.5 | Very low | 31.5 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | 63.9 | 153.6 | 69.1 | -99.7 | -175.5 | -57.2 | 0 | 0 | 114.1 | D220 | Q218-D220 PolarHBondContact NE2-OD1 3.32Å; Q218-D220 PolarHBondContact NE2-OD2 2.82Å | |||
| 219 | P | 46.5 | Very low | 31.6 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -101.9 | 148.4 | 15 | 0.5 | 23.8 | 0 | 0 | 0 | 114.5 | ||||
| 220 | D | 28.5 | Very low | 31.9 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | 75.6 | 143.1 | 82.5 | -58.3 | -25 | 0 | 0 | 0 | 114.6 | Q218 | Q218-D220 PolarHBondContact NE2-OD1 3.32Å; Q218-D220 PolarHBondContact NE2-OD2 2.82Å | |||
| 221 | R | 29.6 | Very low | 32.6 | Very low | 235 Ų | 235 | 144.6 Ų | 144.6 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | cis | -152.9 | 148 | 19.3 | -147.1 | 166.7 | -173.1 | 152.3 | -0.5 | 112.3 | ||||
| 222 | G | 28.6 | Very low | 32.8 | Very low | 68 Ų | 68 | 142.6 Ų | 142.6 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -88.3 | -150.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 223 | P | 46.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | cis | -137.3 | -155.8 | 27.1 | 43.6 | -24.3 | 0 | 0 | 0 | 115.2 | ||||
| 224 | S | 29.6 | Very low | 33.9 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -125.9 | 166.7 | -161.4 | -43 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 225 | A | 30.3 | Very low | 33.7 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | 71.3 | 147.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 226 | G | 28 | Very low | 33.7 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 143 | 88.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 227 | F | 28.1 | Very low | 33.4 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 89% | 0.886 | 77% | 0.772 | S | S | * | * | trans | 34.3 | 140.6 | 140.3 | -80.1 | -85.3 | 0 | 0 | 0 | 124.2 | ||||
| 228 | L | 27.2 | Very low | 32.8 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 82.8 | 134.4 | 151.8 | -66.7 | 161.9 | 0 | 0 | 0 | 121.2 | ||||
| 229 | R | 28.6 | Very low | 32.9 | Very low | 227 Ų | 227 | 132.9 Ų | 132.9 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | 46.4 | 130.1 | 144 | -69.2 | -179.7 | 169.4 | -178.9 | -4.1 | 121.4 | ||||
| 230 | T | 34.9 | Very low | 32.2 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -46.8 | 154.7 | 150.8 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 231 | P | 41.4 | Very low | 32.4 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | cis | -143 | -165.6 | 32 | 40.8 | -19.7 | 0 | 0 | 0 | 116.3 | ||||
| 232 | S | 34 | Very low | 32.4 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -58.1 | 172.8 | 164.2 | -27.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 233 | P | 49.3 | Very low | 32.7 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -155.5 | -163.7 | 34.3 | 43.3 | -19.2 | 0 | 0 | 0 | 118.4 | ||||
| 234 | L | 29 | Very low | 32.1 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 67.5 | 119.9 | 158.8 | -60.8 | 175.1 | 0 | 0 | 0 | 119.4 | ||||
| 235 | S | 27.9 | Very low | 33.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 84.1 | 156.8 | 91.6 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 236 | L | 29.1 | Very low | 33.4 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | cis | -164.8 | 141.8 | 22.1 | -147.1 | 161.8 | 0 | 0 | 0 | 111.9 | ||||
| 237 | N | 28.4 | Very low | 33.5 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | 157.4 | 123.3 | 147.2 | -83.6 | -15.9 | 0 | 0 | 0 | 109.2 | ||||
| 238 | A | 32.4 | Very low | 33.6 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | 75.4 | 130.2 | 54 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 239 | Q | 32.9 | Very low | 33.7 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | cis | -161.1 | 175.3 | -2.7 | -113.7 | 176.9 | 24.3 | 0 | 0 | 107.2 | ||||
| 240 | V | 31.9 | Very low | 33.6 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | cis | -153.8 | 176 | 12.7 | -122.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 241 | S | 32 | Very low | 33.2 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 72.9 | 140 | 158.8 | -65 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 242 | S | 30.4 | Very low | 32.5 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | cis | -158.7 | 167.3 | -9.3 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 243 | T | 34.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | 73.5 | 142.9 | 179.5 | 72.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 244 | L | 33.7 | Very low | 31 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | -130 | 160.9 | -172.7 | -84.9 | 172.8 | 0 | 0 | 0 | 112.2 | ||||
| 245 | P | 53.7 | Low | 30.7 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -113.7 | -128.9 | -171.8 | 43.6 | -32.1 | 0 | 0 | 0 | 112.1 | ||||
| 246 | R | 34.1 | Very low | 30.7 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | trans | 81.7 | 145.1 | 166 | -95.8 | -179.8 | 176.6 | 124 | -0.4 | 115.9 | F248 | R246-F248 HydrophobicContact CG-CD2 3.95Å; R246-F248 HydrophobicContact CG-CE2 3.98Å | ||
| 247 | N | 29.4 | Very low | 30.6 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | cis | -144.9 | 161.2 | 34.4 | -81.2 | -55.8 | 0 | 0 | 0 | 111.3 | ||||
| 248 | F | 30.2 | Very low | 30.7 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | 58.3 | 138.5 | 60.5 | -63 | -64.1 | 0 | 0 | 0 | 113.3 | R246 | R246-F248 HydrophobicContact CG-CD2 3.95Å; R246-F248 HydrophobicContact CG-CE2 3.98Å | |||
| 249 | T | 30.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | cis | -168.9 | 150.5 | 3.9 | 10.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 250 | T | 27 | Very low | 30.3 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 57.5 | 160.4 | 142.5 | 61 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 251 | V | 26 | Very low | 30.1 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 91.9 | 103.4 | 157.3 | -168.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 252 | S | 25.5 | Very low | 29.9 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | 30.4 | 154.6 | 121.5 | -139.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 253 | Q | 27 | Very low | 30.1 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | 69.4 | 155.6 | 164.1 | -62 | -173.2 | -11.9 | 0 | 0 | 117 | ||||
| 254 | T | 24.8 | Very low | 30.5 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | cis | -163.5 | 149.7 | -27.8 | 24.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 255 | E | 23.5 | Very low | 30.4 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | 62.2 | 172.3 | 157.5 | -66.8 | 174.6 | 160.6 | 0 | 0 | 116.2 | ||||
| 256 | E | 27.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -143.6 | 154 | -3.6 | -144.3 | -154.1 | 109.9 | 0 | 0 | 113.3 | ||||
| 257 | S | 27.1 | Very low | 29.2 | Very low | 80 Ų | 80 | 146.1 Ų | 146.1 | 56% | 0.559 | 76% | 0.76 | S | S | * | * | trans | 45.9 | 117.6 | 144.8 | 64.7 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 258 | V | 30.1 | Very low | 29.7 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | 72 | 114.5 | 118 | 178.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 259 | K | 29.8 | Very low | 29.9 | Very low | 210 Ų | 210 | 148.1 Ų | 148.1 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | -162.1 | 166.2 | 118.2 | -107.7 | 151.4 | -167.8 | 166.1 | 0 | 113.4 | |||||
| 260 | R | 27.1 | Very low | 30.3 | Very low | 204 Ų | 204 | 149.7 Ų | 149.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -154.9 | 120.2 | -153.9 | 174.1 | -160.4 | -175.8 | -160 | 9 | 114.7 | ||||
| 261 | Q | 28.1 | Very low | 30.7 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -150.2 | 127.4 | 155.1 | -65.6 | -61.6 | -14.5 | 0 | 0 | 106.7 | ||||
| 262 | K | 27.5 | Very low | 31.3 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | 77.3 | 87 | 54.6 | -78.2 | -166.9 | 167.5 | -171.9 | 0 | 116 | |||||
| 263 | S | 35.8 | Very low | 31.9 | Very low | 104 Ų | 104 | 155.1 Ų | 155.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 15.6 | 149.2 | 125.8 | 62.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 264 | P | 43 | Very low | 32.5 | Very low | 135 Ų | 135 | 153.8 Ų | 153.8 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | cis | -148.5 | -175 | 37.5 | 42.8 | -23.3 | 0 | 0 | 0 | 116.8 | ||||
| 265 | G | 31.6 | Very low | 33 | Very low | 75 Ų | 75 | 154 Ų | 154 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 162.6 | 106.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 266 | K | 32.9 | Very low | 33.6 | Very low | 198 Ų | 198 | 156.7 Ų | 156.7 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -58.8 | 148.6 | -176 | -59.4 | 169.7 | 178.8 | 177.9 | 0 | 114.7 | ||||
| 267 | W | 30.3 | Very low | 33.7 | Very low | 251 Ų | 251 | 158.2 Ų | 158.2 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | trans | -70.6 | 151.4 | 155.4 | -93.4 | 38.6 | 0 | 0 | 0 | 111 | ||||
| 268 | N | 38.7 | Very low | 33.9 | Very low | 145 Ų | 145 | 158.6 Ų | 158.6 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | -122.3 | 158.5 | 167.1 | -66.2 | -15.6 | 0 | 0 | 0 | 109.1 | ||||
| 269 | E | 35.6 | Very low | 33.8 | Very low | 182 Ų | 182 | 161.6 Ų | 161.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -93.2 | -169.7 | -177.3 | -60.9 | 176 | 131 | 0 | 0 | 112.3 | ||||
| 270 | T | 37.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 156.1 Ų | 156.1 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | 65 | 96.1 | 172.2 | 69.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 271 | D | 35.6 | Very low | 34.6 | Very low | 155 Ų | 155 | 155 Ų | 155 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | -153.2 | 108.2 | 114.8 | -156.2 | 2.9 | 0 | 0 | 0 | 110 | |||||
| 272 | L | 38.6 | Very low | 35.1 | Very low | 167 Ų | 167 | 155.4 Ų | 155.4 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -159.2 | 50.6 | -176.7 | -132.3 | -178.1 | 0 | 0 | 0 | 112.5 | ||||
| 273 | D | 37.3 | Very low | 35.1 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | -144.4 | 96.7 | 172.9 | -114.5 | -34.3 | 0 | 0 | 0 | 111 | ||||
| 274 | V | 40.5 | Very low | 34.9 | Very low | 146 Ų | 146 | 161.2 Ų | 161.2 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -129.9 | 100.3 | 166.5 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 275 | S | 33.8 | Very low | 34.2 | Very low | 107 Ų | 107 | 160.5 Ų | 160.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -84.2 | 152.3 | 175.2 | -73.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 276 | Y | 36.6 | Very low | 34.1 | Very low | 237 Ų | 237 | 164.4 Ų | 164.4 | 93% | 0.929 | 81% | 0.808 | S | S | * | * | trans | -74.7 | 131.3 | 175.4 | -119.1 | -102 | 0 | 0 | 0 | 111.5 | ||||
| 277 | E | 30.5 | Very low | 34.1 | Very low | 191 Ų | 191 | 161.3 Ų | 161.3 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -146.4 | 179 | 156.9 | -132.3 | 173.4 | -147.8 | 0 | 0 | 111.9 | ||||
| 278 | S | 30 | Very low | 34 | Very low | 88 Ų | 88 | 157.9 Ų | 157.9 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | trans | -142.9 | 163.2 | -141.9 | 71.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 279 | K | 28 | Very low | 33.6 | Very low | 191 Ų | 191 | 162.3 Ų | 162.3 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | 78.2 | 166.8 | 161.4 | -62.4 | 166.1 | -174.9 | 172.4 | 0 | 117.1 | ||||
| 280 | P | 42.5 | Very low | 33.4 | Very low | 95 Ų | 95 | 160.7 Ų | 160.7 | 62% | 0.617 | 80% | 0.803 | S | S | * | * | cis | -134.8 | -176.9 | -38.7 | 34.6 | -17.2 | 0 | 0 | 0 | 112.9 | ||||
| 281 | H | 31.5 | Very low | 32.8 | Very low | 182 Ų | 182 | 165.7 Ų | 165.7 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | 168.2 | 152.3 | 121.3 | -91.6 | -71.9 | 0 | 0 | 0 | 112.7 | |||||
| 282 | H | 38.7 | Very low | 32.4 | Very low | 180 Ų | 180 | 163 Ų | 163 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -106.5 | 142.4 | 175.5 | -72.7 | -84.7 | 0 | 0 | 0 | 111.6 | ||||
| 283 | I | 28.7 | Very low | 31.9 | Very low | 173 Ų | 173 | 160 Ų | 160 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -140.6 | 146.2 | 146.7 | -64.2 | -171.5 | 0 | 0 | 0 | 108.4 | ||||
| 284 | Y | 30.9 | Very low | 31.9 | Very low | 204 Ų | 204 | 157.7 Ų | 157.7 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -108.7 | 150.4 | 174.9 | -115.9 | -96.5 | 0 | 0 | 0 | 109 | ||||
| 285 | D | 29.2 | Very low | 32 | Very low | 121 Ų | 121 | 155.7 Ų | 155.7 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | -164 | 179.6 | 105.4 | -144.1 | 2 | 0 | 0 | 0 | 114.2 | |||||
| 286 | K | 28.4 | Very low | 31.7 | Very low | 157 Ų | 157 | 158 Ų | 158 | 68% | 0.683 | 79% | 0.787 | S | S | * | * | trans | -103.3 | 138.5 | -167.7 | 3.9 | 78.5 | -176 | 134.9 | 0 | 116.6 | ||||
| 287 | T | 32.6 | Very low | 31.5 | Very low | 133 Ų | 133 | 151 Ų | 151 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -164.6 | 139.5 | 149.4 | 33.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 288 | E | 29.3 | Very low | 31.6 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | cis | -140.3 | 158.6 | -11.4 | -88.9 | 168.5 | 117.7 | 0 | 0 | 108.1 | ||||
| 289 | W | 29.2 | Very low | 31.5 | Very low | 237 Ų | 237 | 154.4 Ų | 154.4 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | -129.2 | 144.3 | 164.6 | -102.8 | 59.7 | 0 | 0 | 0 | 109.8 | ||||
| 290 | L | 31.2 | Very low | 31.7 | Very low | 149 Ų | 149 | 155.4 Ų | 155.4 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | 67.8 | 103.2 | 169.2 | -66.1 | 153.3 | 0 | 0 | 0 | 118.5 | ||||
| 291 | R | 26.5 | Very low | 31.2 | Very low | 244 Ų | 244 | 160 Ų | 160 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | -151.6 | 148.1 | 109 | -146.2 | 175.3 | -71.1 | -143.2 | 0.6 | 113.4 | |||||
| 292 | S | 26 | Very low | 31.3 | Very low | 98 Ų | 98 | 156.1 Ų | 156.1 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -90.8 | 178.7 | 168.5 | -34 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 293 | S | 27.7 | Very low | 31.1 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -172.2 | 149.2 | 13.7 | 40.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 294 | A | 37.7 | Very low | 31.2 | Very low | 95 Ų | 95 | 154.6 Ų | 154.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 66.8 | 175.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 295 | P | 42.5 | Very low | 31.2 | Very low | 104 Ų | 104 | 152.5 Ų | 152.5 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | cis | -136.2 | -178.8 | 0.8 | 43.8 | -27 | 0 | 0 | 0 | 117.7 | ||||
| 296 | N | 28.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 154 Ų | 154 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 74 | 143.6 | 159.1 | -65.5 | -13.5 | 0 | 0 | 0 | 119.2 | ||||
| 297 | S | 32.1 | Very low | 32 | Very low | 91 Ų | 91 | 152.1 Ų | 152.1 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | cis | -161 | 151.8 | -8.1 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 298 | N | 31.5 | Very low | 31.9 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 50.8 | 139 | 151 | -52.3 | -18 | 0 | 0 | 0 | 120.2 | ||||
| 299 | W | 27.9 | Very low | 32.7 | Very low | 218 Ų | 218 | 148.2 Ų | 148.2 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | cis | -143.7 | 132.1 | 36.7 | -85.5 | 79.8 | 0 | 0 | 0 | 115.9 | ||||
| 300 | R | 32.1 | Very low | 32.7 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | 18.9 | 126.5 | 142.8 | -63.1 | -177.4 | 173.2 | -83.5 | -1.1 | 121.9 | ||||
| 301 | E | 33.2 | Very low | 32.8 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -101.8 | 163.3 | 144.5 | -60.2 | 171.8 | 160.7 | 0 | 0 | 109.9 | ||||
| 302 | S | 33.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -161.4 | 105.5 | 168.3 | 58.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 303 | N | 33.2 | Very low | 33.8 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 31 | 137 | 138.7 | -48.7 | -43.4 | 0 | 0 | 0 | 121.2 | ||||
| 304 | L | 31.7 | Very low | 34 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | -172.4 | 137.7 | 96.9 | -98.9 | 165.1 | 0 | 0 | 0 | 112.4 | |||||
| 305 | D | 30.9 | Very low | 33.6 | Very low | 161 Ų | 161 | 146 Ų | 146 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -148.5 | 162.3 | 160.2 | -147.3 | -24.2 | 0 | 0 | 0 | 109.2 | ||||
| 306 | N | 31.1 | Very low | 33 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -91.3 | 169.3 | -150.9 | -116.4 | 9.3 | 0 | 0 | 0 | 116.7 | ||||
| 307 | P | 43.9 | Very low | 33.9 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -96.7 | 173.8 | -156.9 | 38.7 | -40 | 0 | 0 | 0 | 117.1 | ||||
| 308 | A | 30.6 | Very low | 33.6 | Very low | 94 Ų | 94 | 151.4 Ų | 151.4 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -129.7 | 160.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 309 | P | 44.5 | Very low | 33.4 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -91.5 | 178.4 | -163.7 | 36.1 | -37.3 | 0 | 0 | 0 | 116.7 | ||||
| 310 | A | 30.4 | Very low | 33.5 | Very low | 96 Ų | 96 | 147 Ų | 147 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -96.4 | 160.8 | -161.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 311 | I | 32.4 | Very low | 34.5 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 91% | 0.908 | 80% | 0.8 | S | S | * | * | trans | -135.8 | 153.9 | 158.8 | -64.2 | -174.5 | 0 | 0 | 0 | 109.4 | ||||
| 312 | S | 32.8 | Very low | 34.3 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -99.7 | 163.7 | -163.1 | 54.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 313 | P | 42.2 | Very low | 34.2 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -94.6 | 179.3 | 160.9 | 37.3 | -32.4 | 0 | 0 | 0 | 113.3 | ||||
| 314 | K | 31.6 | Very low | 34 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -106.2 | 126.3 | -159.9 | -61.1 | 172.5 | -178.3 | 172.4 | 0 | 116.1 | ||||
| 315 | K | 29.4 | Very low | 33.9 | Very low | 176 Ų | 176 | 137 Ų | 137 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | 49.1 | 110.7 | 124.7 | -163.6 | 171.1 | -176.9 | 175.2 | 0 | 121.9 | |||||
| 316 | D | 28.7 | Very low | 34 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 64 | 161.9 | 140.5 | -63.3 | -15.7 | 0 | 0 | 0 | 122.1 | ||||
| 317 | P | 47.6 | Very low | 34 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | cis | -137.6 | 159.7 | -25.4 | 31.2 | -12.6 | 0 | 0 | 0 | 115.9 | ||||
| 318 | R | 27.4 | Very low | 33.5 | Very low | 229 Ų | 229 | 136.8 Ų | 136.8 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | 158.5 | 158.9 | 121.1 | -88.6 | 178.6 | 174.1 | 130 | -1 | 115.5 | |||||
| 319 | S | 26.9 | Very low | 33.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | 71.9 | 115.6 | 159.8 | 27.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 320 | V | 30.2 | Very low | 34.1 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -107.2 | 163.9 | 164 | 154.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 321 | P | 51.9 | Low | 34.4 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | cis | -140.8 | -175.1 | 18.1 | 21.5 | 7 | 0 | 0 | 0 | 118.8 | ||||
| 322 | H | 29.6 | Very low | 34.3 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | 106.3 | 121.2 | 135.9 | -78.3 | -41.4 | 0 | 0 | 0 | 123.6 | ||||
| 323 | Q | 30.8 | Very low | 34.4 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | 62.1 | 152 | 148.7 | -58.6 | 178.9 | 1 | 0 | 0 | 117.9 | ||||
| 324 | G | 28.9 | Very low | 33.9 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | cis | 156.5 | 160.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 325 | S | 30.7 | Very low | 34 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | cis | -168.6 | 174.7 | -9.6 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 326 | Y | 32.6 | Very low | 34 | Very low | 207 Ų | 207 | 141.7 Ų | 141.7 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | 70 | 122.8 | 171.7 | -59.1 | -73.8 | 0 | 0 | 0 | 116.6 | ||||
| 327 | S | 31.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | 72.2 | 142.9 | 75.5 | 91 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 328 | S | 32.3 | Very low | 34.5 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | cis | -159.6 | 169.3 | 16.3 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 329 | L | 38.7 | Very low | 35.3 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -74.8 | -176.5 | 163 | -69.6 | 173 | 0 | 0 | 0 | 110.8 | ||||
| 330 | P | 50.9 | Low | 35.6 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | cis | -156.3 | -171.9 | 22 | 47.1 | -24.9 | 0 | 0 | 0 | 120.9 | ||||
| 331 | R | 35.8 | Very low | 35.6 | Very low | 252 Ų | 252 | 136.4 Ų | 136.4 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | 70.1 | 139.9 | 147.5 | -84.8 | 177.2 | 175.6 | 166.3 | -1.3 | 122.2 | ||||
| 332 | G | 30.9 | Very low | 34.6 | Very low | 82 Ų | 82 | 140.2 Ų | 140.2 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | 159.6 | 128.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 333 | A | 34.4 | Very low | 34.5 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -143 | 150.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 334 | R | 31.4 | Very low | 34.6 | Very low | 256 Ų | 256 | 135.9 Ų | 135.9 | 97% | 0.966 | 82% | 0.818 | S | S | * | * | trans | -161.8 | 175.4 | 165.5 | -114.7 | 171 | -166.4 | -162.7 | 2.2 | 113 | ||||
| 335 | I | 34.4 | Very low | 34.6 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | trans | -120.2 | 146.4 | -156 | -61.7 | 155.6 | 0 | 0 | 0 | 111.4 | ||||
| 336 | A | 28.8 | Very low | 34.6 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -154.7 | 156.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 337 | V | 34.1 | Very low | 34.3 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -138 | -175.3 | 176.3 | -142.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 338 | P | 53.3 | Low | 34.5 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 64% | 0.643 | 82% | 0.824 | S | S | * | * | -92.1 | -168.4 | -124.8 | 43 | -29.1 | 0 | 0 | 0 | 114.6 | |||||
| 339 | P | 44.3 | Very low | 34.6 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | -134.1 | 162.6 | 115.3 | 39.1 | -31.7 | 0 | 0 | 0 | 114.5 | |||||
| 340 | D | 31.6 | Very low | 34.2 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -80.8 | 151.5 | -176.3 | -53.8 | -82.6 | 0 | 0 | 0 | 114.9 | ||||
| 341 | A | 30.5 | Very low | 33.4 | Very low | 104 Ų | 104 | 137 Ų | 137 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -149.2 | 129.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 342 | L | 31.3 | Very low | 33 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -85.4 | 132.7 | -178.2 | -71.8 | 160 | 0 | 0 | 0 | 111.9 | ||||
| 343 | S | 27.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -162.9 | 150.9 | 147.2 | -87.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 344 | S | 32.5 | Very low | 33.4 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -82.4 | 143.9 | -178.2 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 345 | G | 30.3 | Very low | 33.5 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | -170.9 | 124.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 346 | Q | 29.8 | Very low | 33.5 | Very low | 194 Ų | 194 | 122.2 Ų | 122.2 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | trans | -71.5 | 143.9 | -173.6 | -66.6 | 161.2 | -66.5 | 0 | 0 | 112 | ||||
| 347 | S | 26.6 | Very low | 34.3 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -76.7 | 127.3 | 172 | 46.7 | 0 | 0 | 0 | 0 | 111.2 | Y349 | S347-Y349 PolarHBondContact O-N 2.89Š| ||
| 348 | P | 34.2 | Very low | 35 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -83.1 | 59.5 | 178 | 34.9 | -36.1 | 0 | 0 | 0 | 111.6 | ||||
| 349 | Y | 35.4 | Very low | 35.1 | Very low | 221 Ų | 221 | 122 Ų | 122 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | trans | -120.8 | 63.1 | 170.4 | -88.5 | -78.3 | 0 | 0 | 0 | 110.7 | S347 | S347-Y349 PolarHBondContact O-N 2.89Š| ||
| 350 | G | 29.9 | Very low | 35.5 | Very low | 56 Ų | 56 | 116.6 Ų | 116.6 | 58% | 0.577 | 68% | 0.678 | S | S | * | * | trans | -76.4 | 119.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q352 | G350-Q352 PolarHBondContact O-N 2.77Å; G350-Q352 VanDerWaalsContact O-N 3.14Å; G350-Q352 PolarHBondContact O-NE2 3.11Å | ||
| 351 | S | 33.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 111.8 Ų | 111.8 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | trans | -55.2 | 115.8 | 168.7 | 49 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 352 | Q | 29 | Very low | 36.1 | Very low | 165 Ų | 165 | 112.2 Ų | 112.2 | 77% | 0.771 | 65% | 0.65 | S | S | * | * | trans | -64.9 | 133.5 | 177.8 | -63.5 | -62.7 | -65.3 | 0 | 0 | 109.3 | G350 | G350-Q352 PolarHBondContact O-N 2.77Å; G350-Q352 VanDerWaalsContact O-N 3.14Å; G350-Q352 PolarHBondContact O-NE2 3.11Å | ||
| 353 | P | 31.4 | Very low | 36.6 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 59% | 0.591 | 63% | 0.628 | S | S | * | * | trans | -62.8 | 138.9 | 170 | 27.4 | -33.6 | 0 | 0 | 0 | 109.6 | I355 | P353-I355 HydrophobicContact CB-CG1 4.15Å; P353-I355 HydrophobicContact CG-CD1 3.91Å; P353-I355 HydrophobicContact CG-CG1 4.04Å; P353-I355 PolarHBondContact O-N 3.21Å | ||
| 354 | I | 41.3 | Very low | 36.9 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 46% | 0.462 | 63% | 0.627 | S | S | . | * | trans | -78.8 | 71.4 | -178.8 | -49.5 | 179.7 | 0 | 0 | 0 | 109.4 | S356 W779 | I354-S356 PolarHBondContact O-N 3.18Å; I354-W779 HydrophobicContact CG2-CZ2 4.11Å | ||
| 355 | I | 34.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 111.8 Ų | 111.8 | 63% | 0.631 | 62% | 0.621 | S | S | * | * | trans | -71.6 | 117.5 | -177.9 | -64.8 | 175.1 | 0 | 0 | 0 | 110.1 | P353 R357 | P353-I355 HydrophobicContact CB-CG1 4.15Å; P353-I355 HydrophobicContact CG-CD1 3.91Å; P353-I355 HydrophobicContact CG-CG1 4.04Å; P353-I355 PolarHBondContact O-N 3.21Å; I355-R357 PolarHBondContact O-N 3.36Å | ||
| 356 | S | 33.3 | Very low | 36.9 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | trans | 10.8 | 88.9 | 162.7 | 50.1 | 0 | 0 | 0 | 0 | 117.8 | I354 | I354-S356 PolarHBondContact O-N 3.18Š| ||
| 357 | R | 45.6 | Very low | 37.1 | Very low | 189 Ų | 189 | 112.7 Ų | 112.7 | 71% | 0.713 | 62% | 0.619 | S | S | * | * | trans | -90.5 | 0.3 | 167.1 | -74.3 | -171.8 | 171.1 | -166.6 | 0.3 | 114.5 | I355 | I355-R357 PolarHBondContact O-N 3.36Š| ||
| 358 | L | 49.6 | Very low | 37.6 | Very low | 32 Ų | 32 | 119.3 Ų | 119.3 | 17% | 0.168 | 63% | 0.628 | C | S | . | * | trans | -129.2 | 78.1 | -157.4 | -61.8 | 173.4 | 0 | 0 | 0 | 112.9 | F705 Y752 W779 P792 N794 | L358-F705 WeakPolarHBondContact O-CZ 3.37Å; L358-Y752 HydrophobicContact CD1-CE2 4.24Å; L358-Y752 HydrophobicContact CD2-CE2 4.11Å; L358-W779 HydrophobicContact CD1-CH2 3.78Å; L358-W779 HydrophobicContact CD1-CZ2 3.8Å; L358-W779 HydrophobicContact CD1-CZ3 4.49Å; L358-P792 HydrophobicContact CD1-CB 3.33Å; L358-P792 HydrophobicContact CD1-CG 3.63Å; L358-N794 PolarHBondContact O-ND2 3.16Å | ||
| 359 | N | 54.4 | Low | 37.8 | Very low | 97 Ų | 97 | 120.4 Ų | 120.4 | 52% | 0.519 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -58.4 | 155.3 | 148.1 | -70.5 | 18.3 | 0 | 0 | 0 | 108.9 | H707 | N359-H707 PolarHBondContact ND2-CD2 2.79Å; N359-H707 PolarHBondContact ND2-NE2 2.98Å |
| 360 | M | 53.5 | Low | 38 | Very low | 11 Ų | 11 | 121.9 Ų | 121.9 | 5% | 0.054 | 63% | 0.626 | C | S | . | * | P | Polyproline II helix | trans | -53 | 133 | 173.4 | -72.6 | -161.2 | 148.6 | 0 | 0 | 111 | P362 T678 A701 A704 W750 N794 | M360-P362 WeakPolarHBondContact O-CD 3.29Å; M360-P362 VanDerWaalsContact O-N 3.12Å; M360-T678 HydrophobicContact SD-CG2 4.38Å; M360-A701 HydrophobicContact CE-CB 3.55Å; M360-A704 HydrophobicContact CE-CB 3.43Å; M360-A704 VanDerWaalsContact CE-CB 3.43Å; M360-A704 HydrophobicContact SD-CB 4.09Å; M360-W750 HydrophobicContact CE-CH2 3.34Å; M360-W750 HydrophobicContact CE-CZ2 4.24Å; M360-W750 HydrophobicContact CE-CZ3 3.77Å; M360-W750 HydrophobicContact SD-CH2 3.81Å; M360-W750 HydrophobicContact SD-CZ2 4.14Å; M360-N794 WeakPolarHBondContact CE-O 3.46Å |
| 361 | P | 39.4 | Very low | 39 | Very low | 53 Ų | 53 | 128.7 Ų | 128.7 | 34% | 0.344 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 117.6 | -174.9 | 24 | -33.5 | 0 | 0 | 0 | 109.5 | I363 W750 L795 | P361-I363 PolarHBondContact O-N 3.3Å; P361-W750 HydrophobicContact CG-CB 4.2Å; P361-W750 HydrophobicContact CG-CD2 4.25Å; P361-W750 HydrophobicContact CG-CG 3.75Å; P361-L795 HydrophobicContact CG-CD2 4.29Å |
| 362 | P | 35.1 | Very low | 39.8 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131.6 | -173.5 | 26.4 | -33.9 | 0 | 0 | 0 | 110.5 | M360 Y364 | M360-P362 WeakPolarHBondContact O-CD 3.29Å; M360-P362 VanDerWaalsContact O-N 3.12Å; P362-Y364 PolarHBondContact O-N 3.28Å |
| 363 | I | 40.8 | Very low | 41.3 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 46% | 0.462 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 136.6 | 173.1 | -51.2 | 173.9 | 0 | 0 | 0 | 108.5 | P361 S365 A671 | P361-I363 PolarHBondContact O-N 3.3Å; I363-S365 PolarHBondContact O-N 3.07Å; I363-A671 HydrophobicContact CD1-CB 4.4Å |
| 364 | Y | 34.2 | Very low | 42.6 | Very low | 221 Ų | 221 | 124.9 Ų | 124.9 | 87% | 0.867 | 61% | 0.608 | S | S | * | * | trans | -25.7 | 107.5 | -170.7 | -68.1 | -85.7 | 0 | 0 | 0 | 115.9 | P362 M366 | P362-Y364 PolarHBondContact O-N 3.28Å; Y364-M366 PolarHBondContact O-N 2.69Å | ||
| 365 | S | 30.7 | Very low | 43.5 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 79% | 0.79 | 61% | 0.608 | S | S | * | * | trans | -70.4 | 124.7 | -177 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | I363 | I363-S365 PolarHBondContact O-N 3.07Š| ||
| 366 | M | 33.6 | Very low | 45 | Very low | 165 Ų | 165 | 120.4 Ų | 120.4 | 81% | 0.813 | 59% | 0.593 | S | S | * | * | trans | -89.6 | 148.5 | 164.3 | -75 | -68.8 | 167.6 | 0 | 0 | 110.3 | Y364 R368 | Y364-M366 PolarHBondContact O-N 2.69Å; M366-R368 PolarHBondContact O-N 3.39Å | ||
| 367 | P | 34.1 | Very low | 46.6 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 77% | 0.773 | 59% | 0.586 | S | S | * | * | trans | -69.5 | 115.5 | -169.6 | 26 | -34.4 | 0 | 0 | 0 | 112.6 | Q369 | P367-Q369 PolarHBondContact O-N 3.39Å; P367-Q369 VanDerWaalsContact O-N 3.09Å | ||
| 368 | R | 37.3 | Very low | 47.3 | Very low | 240 Ų | 240 | 115.8 Ų | 115.8 | 91% | 0.906 | 58% | 0.575 | S | S | * | * | trans | -54 | 109.8 | 176.9 | -77 | 177.3 | 164.6 | 166.1 | -5.1 | 112.2 | M366 R370 | M366-R368 PolarHBondContact O-N 3.39Å; R368-R370 PolarHBondContact O-N 3.17Å | ||
| 369 | Q | 37.3 | Very low | 47.8 | Very low | 149 Ų | 149 | 121.2 Ų | 121.2 | 70% | 0.696 | 59% | 0.593 | S | S | * | * | trans | -68.7 | 119.2 | 155.4 | -75.9 | -166.1 | -7.2 | 0 | 0 | 108.6 | P367 R371 | P367-Q369 PolarHBondContact O-N 3.39Å; P367-Q369 VanDerWaalsContact O-N 3.09Å; Q369-R371 PolarHBondContact O-N 3.28Å; Q369-R371 VanDerWaalsContact O-N 3.11Å; Q369-R371 VanDerWaalsContact OE1-NH2 3.17Å | ||
| 370 | R | 40.4 | Very low | 48 | Very low | 252 Ų | 252 | 123 Ų | 123 | 95% | 0.951 | 60% | 0.603 | S | S | * | * | trans | -63.4 | 113.7 | 173.2 | -68.5 | -175.4 | 179.3 | -169.9 | -0.3 | 109.5 | R368 | R368-R370 PolarHBondContact O-N 3.17Š| ||
| 371 | R | 51 | Low | 47.8 | Very low | 198 Ų | 198 | 129 Ų | 129 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | trans | -116.5 | 158.8 | 167.3 | -66 | -169.1 | -179.3 | -164.6 | 2.4 | 110.3 | Q369 | Q369-R371 PolarHBondContact O-N 3.28Å; Q369-R371 VanDerWaalsContact O-N 3.11Å; Q369-R371 VanDerWaalsContact OE1-NH2 3.17Å | ||
| 372 | I | 49.4 | Very low | 48.4 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 60% | 0.595 | 63% | 0.629 | S | S | * | * | trans | -69.2 | 127.9 | -168.9 | -66 | 169.6 | 0 | 0 | 0 | 109.2 | V376 I377 | I372-V376 HydrophobicContact CG2-CB 3.55Å; I372-V376 HydrophobicContact CG2-CG1 3.56Å; I372-V376 HydrophobicContact CG2-CG2 4.29Å; I372-I377 HydrophobicContact CG2-CG1 4.45Å | ||
| 373 | P | 61.6 | Low | 49.3 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 51% | 0.506 | 63% | 0.628 | S | S | . | * | trans | -65.8 | 149.7 | -177.2 | 26.7 | -34.7 | 0 | 0 | 0 | 111.9 | S375 V376 I377 | P373-S375 PolarHBondContact O-N 3.18Å; P373-V376 HydrophobicContact CG-CG2 4.16Å; P373-V376 PolarHBondContact O-N 3.41Å; P373-I377 PolarHBondContact O-N 3.21Å | ||
| 374 | I | 58.2 | Low | 49.7 | Very low | 101 Ų | 101 | 132 Ų | 132 | 52% | 0.518 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -54.3 | -29.4 | -178.5 | -81.6 | 175 | 0 | 0 | 0 | 112.9 | V376 I377 L378 | I374-V376 PolarHBondContact O-N 3.4Å; I374-V376 VanDerWaalsContact O-N 3.17Å; I374-I377 HydrophobicContact CG1-CD1 4.39Å; I374-I377 PolarHBondContact O-N 3.39Å; I374-I377 VanDerWaalsContact O-N 3.08Å; I374-L378 HydrophobicContact CG2-CD1 3.69Å; I374-L378 HydrophobicContact CG2-CG 4.27Å; I374-L378 WeakPolarHBondContact O-CB 3.12Å; I374-L378 PolarHBondContact O-N 3.4Å |
| 375 | S | 60.8 | Low | 50.4 | Low | 68 Ų | 68 | 130 Ų | 130 | 48% | 0.476 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.4 | -14.1 | 174.8 | 62.9 | 0 | 0 | 0 | 0 | 115.4 | P373 R379 | P373-S375 PolarHBondContact O-N 3.18Å; S375-R379 PolarHBondContact O-NE 3.37Å; S375-R379 PolarHBondContact O-NH2 3.03Å |
| 376 | V | 65.8 | Low | 51.2 | Low | 50 Ų | 50 | 126.8 Ų | 126.8 | 30% | 0.303 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -96.4 | -36.4 | 169.8 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | I372 P373 I374 R379 L380 | I372-V376 HydrophobicContact CG2-CB 3.55Å; I372-V376 HydrophobicContact CG2-CG1 3.56Å; I372-V376 HydrophobicContact CG2-CG2 4.29Å; P373-V376 HydrophobicContact CG-CG2 4.16Å; P373-V376 PolarHBondContact O-N 3.41Å; I374-V376 PolarHBondContact O-N 3.4Å; I374-V376 VanDerWaalsContact O-N 3.17Å; V376-R379 WeakPolarHBondContact O-CB 3.46Å; V376-R379 PolarHBondContact O-N 3.39Å; V376-L380 HydrophobicContact CG1-CD1 4.07Å; V376-L380 HydrophobicContact CG1-CG 4.48Å; V376-L380 WeakPolarHBondContact O-CG 3.25Å; V376-L380 PolarHBondContact O-N 3.27Å |
| 377 | I | 65.9 | Low | 51.7 | Low | 71 Ų | 71 | 126.9 Ų | 126.9 | 36% | 0.364 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.4 | -48.5 | 176.3 | -57.9 | 177.1 | 0 | 0 | 0 | 110.5 | I372 P373 I374 R379 L380 Q381 | I372-I377 HydrophobicContact CG2-CG1 4.45Å; P373-I377 PolarHBondContact O-N 3.21Å; I374-I377 HydrophobicContact CG1-CD1 4.39Å; I374-I377 PolarHBondContact O-N 3.39Å; I374-I377 VanDerWaalsContact O-N 3.08Å; I377-R379 PolarHBondContact O-N 3.23Å; I377-L380 PolarHBondContact O-N 3.27Å; I377-Q381 WeakPolarHBondContact O-CG 3.05Å; I377-Q381 PolarHBondContact O-N 3.46Å |
| 378 | L | 60.7 | Low | 51.9 | Low | 94 Ų | 94 | 129.9 Ų | 129.9 | 49% | 0.492 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -56.4 | -36.7 | 173.3 | -82.5 | 160.7 | 0 | 0 | 0 | 112.8 | I374 Q381 N382 | I374-L378 HydrophobicContact CG2-CD1 3.69Å; I374-L378 HydrophobicContact CG2-CG 4.27Å; I374-L378 WeakPolarHBondContact O-CB 3.12Å; I374-L378 PolarHBondContact O-N 3.4Å; L378-Q381 PolarHBondContact O-N 3.41Å; L378-N382 WeakPolarHBondContact O-CB 3.47Å; L378-N382 PolarHBondContact O-N 2.97Å; L378-N382 PolarHBondContact O-ND2 3.35Å |
| 379 | R | 59.6 | Low | 52 | Low | 146 Ų | 146 | 123.4 Ų | 123.4 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75 | -30.4 | -179.2 | -158.3 | -178.7 | -51 | 172.2 | 5.9 | 112.8 | S375 V376 I377 N382 | S375-R379 PolarHBondContact O-NE 3.37Å; S375-R379 PolarHBondContact O-NH2 3.03Å; V376-R379 WeakPolarHBondContact O-CB 3.46Å; V376-R379 PolarHBondContact O-N 3.39Å; I377-R379 PolarHBondContact O-N 3.23Å; R379-N382 CarbonylContact O-C 3.6Å |
| 380 | L | 57.7 | Low | 52 | Low | 136 Ų | 136 | 121.8 Ų | 121.8 | 71% | 0.712 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.3 | -33.1 | 171.9 | -70.3 | 168.1 | 0 | 0 | 0 | 112 | V376 I377 | V376-L380 HydrophobicContact CG1-CD1 4.07Å; V376-L380 HydrophobicContact CG1-CG 4.48Å; V376-L380 WeakPolarHBondContact O-CG 3.25Å; V376-L380 PolarHBondContact O-N 3.27Å; I377-L380 PolarHBondContact O-N 3.27Å |
| 381 | Q | 50.7 | Low | 51.7 | Low | 136 Ų | 136 | 117.6 Ų | 117.6 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77 | -28.1 | 175.3 | -72.2 | 174.6 | -32 | 0 | 0 | 113.1 | I377 L378 | I377-Q381 WeakPolarHBondContact O-CG 3.05Å; I377-Q381 PolarHBondContact O-N 3.46Å; L378-Q381 PolarHBondContact O-N 3.41Å |
| 382 | N | 50.8 | Low | 51 | Low | 59 Ų | 59 | 116.9 Ų | 116.9 | 32% | 0.316 | 61% | 0.612 | S | S | . | * | trans | -129.8 | 78.6 | -179 | -65.7 | -82.6 | 0 | 0 | 0 | 111.9 | L378 R379 Q384 Y385 | L378-N382 WeakPolarHBondContact O-CB 3.47Å; L378-N382 PolarHBondContact O-N 2.97Å; L378-N382 PolarHBondContact O-ND2 3.35Å; R379-N382 CarbonylContact O-C 3.6Å; N382-Q384 PolarHBondContact O-N 3.08Å; N382-Y385 HydrophobicContact CB-CD2 3.98Å; N382-Y385 PolarHBondContact O-N 2.84Å; N382-Y385 VanDerWaalsContact O-N 3.14Å | ||
| 383 | P | 54.4 | Low | 50 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 71% | 0.708 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -60.9 | -21.9 | -174.9 | 23.5 | -34.4 | 0 | 0 | 0 | 114.2 | Y385 G386 | P383-Y385 VanDerWaalsContact C-N 3.34Å; P383-Y385 PolarHBondContact O-N 2.85Å; P383-G386 PolarHBondContact O-N 3.29Å |
| 384 | Q | 48.6 | Very low | 48.4 | Very low | 150 Ų | 150 | 124.7 Ų | 124.7 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -70.5 | -20.4 | 178.4 | 60.1 | -167.1 | -9.3 | 0 | 0 | 114.8 | N382 G386 | N382-Q384 PolarHBondContact O-N 3.08Å; Q384-G386 PolarHBondContact O-N 3.44Å |
| 385 | Y | 48.9 | Very low | 47.5 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -71.6 | -10.3 | 176.5 | -94.1 | -89.6 | 0 | 0 | 0 | 113.9 | N382 P383 Q387 | N382-Y385 HydrophobicContact CB-CD2 3.98Å; N382-Y385 PolarHBondContact O-N 2.84Å; N382-Y385 VanDerWaalsContact O-N 3.14Å; P383-Y385 VanDerWaalsContact C-N 3.34Å; P383-Y385 PolarHBondContact O-N 2.85Å; Y385-Q387 PolarHBondContact O-N 2.86Å |
| 386 | G | 48.8 | Very low | 45.8 | Very low | 44 Ų | 44 | 130 Ų | 130 | 45% | 0.454 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -75.7 | -13.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P383 Q384 | P383-G386 PolarHBondContact O-N 3.29Å; Q384-G386 PolarHBondContact O-N 3.44Å |
| 387 | Q | 44 | Very low | 43.9 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -101.8 | -5.6 | -169.4 | -69.8 | -167.9 | -13.4 | 0 | 0 | 115.9 | Y385 | Y385-Q387 PolarHBondContact O-N 2.86Š|
| 388 | M | 38.4 | Very low | 42.2 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 90% | 0.897 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -97 | -8.8 | -179.6 | -74.8 | -175.1 | 167.1 | 0 | 0 | 114.8 | ||
| 389 | S | 38.1 | Very low | 40.6 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -98.2 | 10.4 | -172.3 | -52.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 390 | T | 38.8 | Very low | 39.2 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -109.5 | 19.8 | -173.6 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 391 | L | 34.3 | Very low | 37.7 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -134.2 | 29.8 | 179.2 | -81.8 | -179.8 | 0 | 0 | 0 | 115.1 | ||
| 392 | Q | 34.7 | Very low | 36.8 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -152.8 | 96.2 | 161.7 | -124.5 | 154.9 | -4.6 | 0 | 0 | 112.6 | ||
| 393 | N | 29.3 | Very low | 35.8 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | 168.7 | 89.7 | 144.8 | -88.4 | -21.5 | 0 | 0 | 0 | 111.2 | ||||
| 394 | Q | 28.6 | Very low | 34.6 | Very low | 193 Ų | 193 | 140.8 Ų | 140.8 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -142.2 | 147.5 | 149.2 | -80 | -160.3 | -7.3 | 0 | 0 | 109.2 | ||||
| 395 | P | 38 | Very low | 33.5 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -102.3 | 151.4 | -171.7 | 38.1 | -33.4 | 0 | 0 | 0 | 113.6 | ||||
| 396 | M | 26.7 | Very low | 32.5 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | -174.6 | 170.9 | 123.6 | -104.1 | -50.6 | -160.6 | 0 | 0 | 113.6 | |||||
| 397 | E | 25.6 | Very low | 31.4 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -66.9 | 158.3 | -174.8 | -56.3 | 153.5 | 131.5 | 0 | 0 | 114.6 | ||||
| 398 | G | 30.1 | Very low | 30.5 | Very low | 83 Ų | 83 | 147.9 Ų | 147.9 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 164 | 116.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 399 | Q | 27.4 | Very low | 30 | Very low | 202 Ų | 202 | 148 Ų | 148 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | trans | -102.5 | 130.9 | -164.1 | -178.8 | 174.3 | 3 | 0 | 0 | 114.9 | ||||
| 400 | G | 28.8 | Very low | 29.5 | Very low | 66 Ų | 66 | 147.4 Ų | 147.4 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | 80.6 | 162.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 401 | D | 26.3 | Very low | 29 | Very low | 148 Ų | 148 | 146 Ų | 146 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | cis | -165.3 | 143.7 | -15 | -138.2 | 10.6 | 0 | 0 | 0 | 112.2 | ||||
| 402 | L | 31.4 | Very low | 28.7 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | 52.5 | 151.7 | 167.3 | -77.3 | 75.1 | 0 | 0 | 0 | 119.9 | ||||
| 403 | T | 29.8 | Very low | 28.4 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | cis | -157.8 | -152.1 | -23.9 | 34.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 404 | N | 29.4 | Very low | 28.2 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 58% | 0.578 | 79% | 0.785 | S | S | * | * | cis | -163.9 | 144.4 | 5.8 | -151.2 | -75.5 | 0 | 0 | 0 | 110.8 | ||||
| 405 | Y | 27.1 | Very low | 28.2 | Very low | 237 Ų | 237 | 149 Ų | 149 | 93% | 0.929 | 78% | 0.784 | S | S | * | * | trans | -156.7 | 135.8 | 133 | -112.6 | -75.9 | 0 | 0 | 0 | 110.2 | ||||
| 406 | R | 27.1 | Very low | 27.5 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | -73.6 | 169.8 | 178.3 | -82.1 | 171.9 | 161 | 154.2 | -6.5 | 112.1 | ||||
| 407 | M | 25.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 80% | 0.803 | 79% | 0.789 | S | S | * | * | cis | -160.8 | 170.8 | 15.3 | -129.7 | 151.4 | 172.9 | 0 | 0 | 107.9 | ||||
| 408 | A | 26.4 | Very low | 27.8 | Very low | 90 Ų | 90 | 150.9 Ų | 150.9 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | cis | -153 | 172.9 | 7.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 409 | E | 26.9 | Very low | 27.8 | Very low | 184 Ų | 184 | 153.1 Ų | 153.1 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -89.4 | -179 | 178.3 | -57.6 | 163.2 | 81.8 | 0 | 0 | 112.5 | ||||
| 410 | A | 28.6 | Very low | 27.8 | Very low | 91 Ų | 91 | 147.7 Ų | 147.7 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | -154.6 | -173.3 | 7.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 411 | A | 28 | Very low | 27.6 | Very low | 86 Ų | 86 | 154.8 Ų | 154.8 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | -154.3 | 131.3 | 7.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 412 | Q | 28.7 | Very low | 27.5 | Very low | 154 Ų | 154 | 156.4 Ų | 156.4 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | 84.6 | 137 | 79 | -69.7 | -159.3 | 7 | 0 | 0 | 118.4 | |||||
| 413 | R | 28.2 | Very low | 28.4 | Very low | 219 Ų | 219 | 155.5 Ų | 155.5 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | 87.8 | 143.3 | 161.9 | -59.5 | -176.5 | -171.5 | -175.7 | 2.8 | 118.3 | ||||
| 414 | K | 25 | Very low | 29 | Very low | 199 Ų | 199 | 156 Ų | 156 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | cis | -167.3 | 150.1 | -31.3 | -125.2 | -179.6 | -177.1 | -170.9 | 0 | 109.8 | ||||
| 415 | F | 26.8 | Very low | 28.7 | Very low | 197 Ų | 197 | 158.5 Ų | 158.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -73.3 | 157.4 | 174.1 | -85.6 | -101.8 | 0 | 0 | 0 | 114.1 | ||||
| 416 | F | 24.1 | Very low | 29 | Very low | 204 Ų | 204 | 154.1 Ų | 154.1 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -152 | 165.3 | 140.8 | -114.6 | -77 | 0 | 0 | 0 | 112.1 | ||||
| 417 | Q | 27.2 | Very low | 28.8 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 160.6 | -170.5 | -66.6 | 170.5 | -72.1 | 0 | 0 | 114 | ||
| 418 | P | 32.4 | Very low | 29.1 | Very low | 120 Ų | 120 | 157.3 Ų | 157.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 153.6 | 172.4 | 35.7 | -35.2 | 0 | 0 | 0 | 113.8 | ||
| 419 | P | 29.7 | Very low | 29.9 | Very low | 129 Ų | 129 | 158.6 Ų | 158.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 172.9 | 165.5 | 38.2 | -33 | 0 | 0 | 0 | 112.7 | ||
| 420 | A | 28 | Very low | 29.8 | Very low | 89 Ų | 89 | 154.5 Ų | 154.5 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -130.3 | 158.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 421 | F | 24.6 | Very low | 29.8 | Very low | 215 Ų | 215 | 156.6 Ų | 156.6 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | trans | -163.1 | 174.9 | 161 | -107 | -67.2 | 0 | 0 | 0 | 112.9 | ||||
| 422 | Q | 22.8 | Very low | 29.7 | Very low | 182 Ų | 182 | 162.7 Ų | 162.7 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -125.7 | -149 | -172.8 | -60.4 | -178.5 | -45.3 | 0 | 0 | 113.5 | ||||
| 423 | P | 50.5 | Low | 29.9 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -101.4 | -168.1 | -133.1 | 33.4 | -10.1 | 0 | 0 | 0 | 114 | ||||
| 424 | P | 42.3 | Very low | 30 | Very low | 120 Ų | 120 | 156.7 Ų | 156.7 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | cis | -128.9 | -148.9 | 12.1 | 36.6 | -10.8 | 0 | 0 | 0 | 113 | ||||
| 425 | E | 24.4 | Very low | 30.4 | Very low | 161 Ų | 161 | 151 Ų | 151 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | cis | -157.6 | -161 | 13.3 | -143.4 | -125.7 | 83.8 | 0 | 0 | 113.2 | ||||
| 426 | L | 32.6 | Very low | 30.7 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -99.6 | 154.4 | -168.4 | -71.3 | 73.8 | 0 | 0 | 0 | 115.6 | ||||
| 427 | R | 23.3 | Very low | 31.2 | Very low | 251 Ų | 251 | 147.1 Ų | 147.1 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -162.8 | 146.3 | 135.9 | -118.6 | 170.8 | -177.5 | 150.4 | 3.1 | 115.7 | ||||
| 428 | Q | 29.8 | Very low | 31.7 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -107.4 | 179.8 | 165.2 | -61.5 | -179.5 | -5 | 0 | 0 | 108.7 | ||||
| 429 | P | 44.4 | Very low | 32.1 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | cis | -126.9 | -167.5 | -0.9 | 44.9 | -28.2 | 0 | 0 | 0 | 112.5 | ||||
| 430 | A | 24.5 | Very low | 32.7 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | -162.5 | 158.8 | 85.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 431 | V | 28.8 | Very low | 33.4 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -97.2 | 133.9 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 432 | Y | 26.6 | Very low | 34.2 | Very low | 215 Ų | 215 | 141 Ų | 141 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -137.5 | 145.3 | 143.9 | -146.9 | -93.3 | 0 | 0 | 0 | 109.6 | ||||
| 433 | S | 32.1 | Very low | 35.2 | Very low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | trans | -116.2 | 133.4 | -178.2 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 434 | D | 30.9 | Very low | 34.8 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | -148.1 | 148.4 | 141.2 | -104.5 | -38.5 | 0 | 0 | 0 | 109.6 | ||||
| 435 | A | 33 | Very low | 34.8 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | trans | -113 | 131 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 436 | L | 32.3 | Very low | 35.6 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | -107 | 142.1 | 169.8 | -64.4 | 178.1 | 0 | 0 | 0 | 109.6 | ||||
| 437 | H | 34.5 | Very low | 36 | Very low | 156 Ų | 156 | 139 Ų | 139 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | -92.6 | 154.7 | -169 | -84.2 | -94.4 | 0 | 0 | 0 | 112.5 | E439 | H437-E439 PolarHBondContact O-N 3.14Š| ||
| 438 | A | 37.5 | Very low | 36.6 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 35.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 439 | E | 40.9 | Very low | 36.6 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | -16 | 178.5 | -65 | -171.5 | 168.5 | 0 | 0 | 113.5 | H437 V441 | H437-E439 PolarHBondContact O-N 3.14Å; E439-V441 VanDerWaalsContact C-N 3.26Å; E439-V441 PolarHBondContact O-N 2.95Å |
| 440 | D | 42.9 | Very low | 36.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -11.5 | 179.9 | -70.9 | -43.5 | 0 | 0 | 0 | 114.3 | ||
| 441 | V | 43.4 | Very low | 36.4 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 61% | 0.606 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -35.2 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | E439 A443 I445 | E439-V441 VanDerWaalsContact C-N 3.26Å; E439-V441 PolarHBondContact O-N 2.95Å; V441-A443 VanDerWaalsContact C-N 3.26Å; V441-A443 PolarHBondContact O-N 2.96Å; V441-I445 HydrophobicContact CG1-CD1 4.21Å |
| 442 | D | 39.9 | Very low | 36.5 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -76.3 | -12.7 | -176.3 | -75 | -23.8 | 0 | 0 | 0 | 113.2 | ||
| 443 | A | 45.4 | Very low | 37 | Very low | 56 Ų | 56 | 135.4 Ų | 135.4 | 46% | 0.463 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -80.4 | -25.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V441 | V441-A443 VanDerWaalsContact C-N 3.26Å; V441-A443 PolarHBondContact O-N 2.96Å |
| 444 | E | 41.7 | Very low | 37.1 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 65% | 0.654 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -84.1 | -38.2 | 179.9 | -152.4 | 65.6 | -135.3 | 0 | 0 | 111.1 | Q446 R447 | E444-Q446 PolarHBondContact O-N 3.03Å; E444-Q446 VanDerWaalsContact O-N 3.17Å; E444-R447 PolarHBondContact O-N 3.15Å; E444-R447 VanDerWaalsContact O-N 3.08Å |
| 445 | I | 41.6 | Very low | 37.4 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -65.1 | -21.7 | -176.3 | -65.1 | 174.8 | 0 | 0 | 0 | 112.5 | V441 R447 | V441-I445 HydrophobicContact CG1-CD1 4.21Å; I445-R447 VanDerWaalsContact C-N 3.29Å; I445-R447 PolarHBondContact O-N 3.06Å |
| 446 | Q | 40.7 | Very low | 37.2 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 5.9 | 174.8 | -65.9 | -168.1 | 12.2 | 0 | 0 | 115.1 | E444 | E444-Q446 PolarHBondContact O-N 3.03Å; E444-Q446 VanDerWaalsContact O-N 3.17Å |
| 447 | R | 40.9 | Very low | 37.1 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -8.8 | -178.2 | -84.4 | -171.4 | 167.9 | 76.8 | 3.7 | 117.2 | E444 I445 | E444-R447 PolarHBondContact O-N 3.15Å; E444-R447 VanDerWaalsContact O-N 3.08Å; I445-R447 VanDerWaalsContact C-N 3.29Å; I445-R447 PolarHBondContact O-N 3.06Å |
| 448 | L | 36.2 | Very low | 36.8 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -136.7 | 66.1 | -176.5 | -71.4 | 176.5 | 0 | 0 | 0 | 113.6 | ||
| 449 | D | 31.5 | Very low | 36.3 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | -148.9 | 93.4 | 162.7 | -161.1 | 2.6 | 0 | 0 | 0 | 112.5 | ||||
| 450 | I | 33.9 | Very low | 35.7 | Very low | 153 Ų | 153 | 138 Ų | 138 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -138.3 | 108.1 | 169 | -60.3 | -176.1 | 0 | 0 | 0 | 109.9 | ||||
| 451 | H | 29.7 | Very low | 34.9 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | -44.3 | 146.6 | 170.5 | -102.3 | -90.8 | 0 | 0 | 0 | 114.2 | ||||
| 452 | H | 30.9 | Very low | 34.2 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | trans | -123.4 | 123.4 | 164.8 | -85.3 | 39.1 | 0 | 0 | 0 | 111.2 | ||||
| 453 | P | 36.7 | Very low | 33.7 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 164.7 | 169.5 | 34.2 | -33.3 | 0 | 0 | 0 | 112 | ||
| 454 | P | 34.7 | Very low | 32.9 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 154.8 | -171.3 | 30.9 | -36.8 | 0 | 0 | 0 | 114.1 | ||
| 455 | P | 37.8 | Very low | 32.2 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 132 | -176.2 | 30.6 | -35 | 0 | 0 | 0 | 113.3 | ||
| 456 | V | 27.6 | Very low | 31.5 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 126.6 | 156.4 | 176 | 0 | 0 | 0 | 0 | 106.9 | ||
| 457 | L | 30.7 | Very low | 30.8 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -90.7 | 115.5 | 178.6 | -153.9 | 79.2 | 0 | 0 | 0 | 110 | ||||
| 458 | E | 27.3 | Very low | 30.3 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -90.8 | 147.7 | -174.2 | -166.9 | 165.2 | -153 | 0 | 0 | 113.3 | ||||
| 459 | T | 27 | Very low | 30.1 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -46.2 | 130.4 | -178.5 | 6.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 460 | A | 28.4 | Very low | 30.2 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -106.4 | 127.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 461 | A | 26.9 | Very low | 30 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -130.1 | 119.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 462 | V | 29.6 | Very low | 30 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -134.7 | 92 | 166.8 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 463 | L | 29 | Very low | 30 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | 37.1 | 115.9 | 146.3 | -65.1 | 172.9 | 0 | 0 | 0 | 121.7 | ||||
| 464 | R | 27.2 | Very low | 29.8 | Very low | 227 Ų | 227 | 139.6 Ų | 139.6 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | 84.1 | 101.8 | 121.9 | -169.7 | -158.9 | -59.5 | -142.1 | 0.4 | 120 | |||||
| 465 | A | 28.1 | Very low | 29.8 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | -175.1 | 146.4 | 120.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 466 | G | 26.1 | Very low | 29.6 | Very low | 88 Ų | 88 | 138.5 Ų | 138.5 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | -93.4 | 169.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 467 | G | 27.3 | Very low | 30.1 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | 170.7 | 129.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 468 | E | 28.8 | Very low | 30.4 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -94.1 | 134 | -178.8 | -55.6 | 165.8 | 123.2 | 0 | 0 | 111 | ||||
| 469 | V | 31.9 | Very low | 31.1 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | trans | -151.6 | 142.5 | 152.5 | -156.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 470 | E | 33.7 | Very low | 31.6 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | trans | -68.7 | 153.1 | 166.4 | -59.6 | 172.3 | 90.4 | 0 | 0 | 112.2 | ||||
| 471 | Q | 29.8 | Very low | 31.9 | Very low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -151.8 | 151.4 | 143.9 | -125.7 | 166.9 | 53.7 | 0 | 0 | 114.8 | ||||
| 472 | V | 29.7 | Very low | 33 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -84.4 | 130.9 | -164.6 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | T474 | V472-T474 HydrophobicContact CG1-CG2 4.37Š| ||
| 473 | V | 31.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -80.6 | 128.9 | 168.9 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 474 | T | 32.9 | Very low | 34 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 72% | 0.724 | 83% | 0.833 | S | S | * | * | trans | -121.8 | 140.4 | 166.8 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | V472 | V472-T474 HydrophobicContact CG1-CG2 4.37Š| ||
| 475 | P | 34.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 81% | 0.805 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 147.6 | -173.2 | 33.3 | -35.4 | 0 | 0 | 0 | 113.1 | ||
| 476 | A | 34.3 | Very low | 35.2 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 146 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 477 | P | 37.3 | Very low | 36 | Very low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 151.5 | 176.2 | 31.9 | -35 | 0 | 0 | 0 | 112.6 | ||
| 478 | R | 38 | Very low | 36.3 | Very low | 227 Ų | 227 | 151.1 Ų | 151.1 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 150.6 | 174.9 | -77.1 | 174.6 | -80.1 | -169.6 | -5.9 | 111.3 | ||
| 479 | P | 41.7 | Very low | 36.7 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 152.4 | -177.8 | 27.4 | -35.4 | 0 | 0 | 0 | 113 | ||
| 480 | L | 36.4 | Very low | 36.9 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -104.9 | 166.5 | 179.3 | -69.4 | 172.5 | 0 | 0 | 0 | 112 | ||||
| 481 | S | 35.7 | Very low | 37.3 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | -62.8 | 150.9 | -172 | 49.1 | 0 | 0 | 0 | 0 | 115.1 | T483 | S481-T483 PolarHBondContact O-N 3.14Å; S481-T483 VanDerWaalsContact O-N 3.11Å | ||
| 482 | P | 49.9 | Very low | 37.6 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -79.8 | 94.6 | -167.5 | 31.9 | -36.4 | 0 | 0 | 0 | 113.4 | ||
| 483 | T | 42.9 | Very low | 37.6 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -152.1 | 52 | 169.5 | -34.1 | 0 | 0 | 0 | 0 | 114.5 | S481 | S481-T483 PolarHBondContact O-N 3.14Å; S481-T483 VanDerWaalsContact O-N 3.11Å | ||
| 484 | R | 36.9 | Very low | 37.9 | Very low | 237 Ų | 237 | 141.8 Ų | 141.8 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -165.1 | 108.8 | 157.1 | -121.1 | 170.5 | 175.2 | 165.2 | -3.3 | 111.6 | ||||
| 485 | L | 37.3 | Very low | 38.1 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 126.9 | 161.3 | -65.5 | 174.9 | 0 | 0 | 0 | 108.1 | ||
| 486 | Q | 43.5 | Very low | 38.5 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 138.6 | 160.8 | -68.1 | -177.6 | -99.6 | 0 | 0 | 107.4 | V488 | Q486-V488 PolarHBondContact O-N 2.91Š|
| 487 | P | 41 | Very low | 39.2 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.5 | 175 | 28.4 | -32.9 | 0 | 0 | 0 | 109.6 | ||
| 488 | V | 35.5 | Very low | 39.8 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 133.8 | 168.1 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | Q486 | Q486-V488 PolarHBondContact O-N 2.91Š|
| 489 | V | 35.8 | Very low | 40.5 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 131 | 177.8 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 490 | A | 36.7 | Very low | 41.3 | Very low | 82 Ų | 82 | 141.6 Ų | 141.6 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 154.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 491 | P | 42.3 | Very low | 42.3 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 169.2 | -179 | 28.8 | -35.5 | 0 | 0 | 0 | 113.6 | ||
| 492 | E | 35.8 | Very low | 43.9 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.8 | -161.3 | -56.2 | 179.8 | 165.1 | 0 | 0 | 115.7 | ||
| 493 | V | 30 | Very low | 44.6 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | -127.4 | 129 | 154 | 176.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 494 | Q | 36.6 | Very low | 45.5 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 65% | 0.645 | 73% | 0.731 | S | S | * | * | trans | -65.5 | 134.4 | -176.8 | -84.1 | 64.2 | 30.2 | 0 | 0 | 112.8 | ||||
| 495 | N | 38.3 | Very low | 47 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | 33 | 124.5 | 155.8 | -58.6 | -13.5 | 0 | 0 | 0 | 119.1 | ||||
| 496 | P | 42.3 | Very low | 48.7 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | -113.4 | 156.5 | 106.1 | 32.6 | -35.5 | 0 | 0 | 0 | 112.9 | |||||
| 497 | E | 50.3 | Low | 50 | Low | 193 Ų | 193 | 127.2 Ų | 127.2 | 90% | 0.902 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 136.5 | 179.8 | -66.3 | 177 | 107.5 | 0 | 0 | 112.2 | ||
| 498 | I | 49.6 | Very low | 50.8 | Low | 144 Ų | 144 | 131 Ų | 131 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 128.7 | 176.3 | -59.2 | 177.3 | 0 | 0 | 0 | 108.8 | ||
| 499 | P | 51.9 | Low | 52.1 | Low | 95 Ų | 95 | 128.1 Ų | 128.1 | 62% | 0.617 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 169 | 176.6 | -26.3 | 36 | 0 | 0 | 0 | 115.2 | ||
| 500 | D | 57.9 | Low | 53.8 | Low | 113 Ų | 113 | 129.3 Ų | 129.3 | 60% | 0.604 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -55 | 136.1 | -161.9 | -160.3 | 10.5 | 0 | 0 | 0 | 114.7 | E502 E503 | D500-E502 PolarHBondContact O-N 3.24Å; D500-E503 WeakPolarHBondContact O-CB 3.22Å; D500-E503 PolarHBondContact O-N 3.2Å |
| 501 | R | 58.5 | Low | 55.2 | Low | 172 Ų | 172 | 130.8 Ų | 130.8 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.5 | -29.9 | -169.9 | 172.6 | 175.1 | 172.2 | -87.1 | 9.8 | 112.5 | E503 L505 | R501-E503 VanDerWaalsContact C-N 3.31Å; R501-L505 PolarHBondContact O-N 3.39Å |
| 502 | E | 69.3 | Low | 55.7 | Low | 92 Ų | 92 | 130.4 Ų | 130.4 | 43% | 0.43 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72.9 | -19.2 | 177.4 | -83.1 | 48.7 | -132 | 0 | 0 | 112.9 | D500 R506 | D500-E502 PolarHBondContact O-N 3.24Å; E502-R506 PolarHBondContact O-N 2.94Å |
| 503 | E | 63.3 | Low | 56.9 | Low | 97 Ų | 97 | 133.8 Ų | 133.8 | 45% | 0.453 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -78.5 | -44.2 | 173.7 | -173.4 | 158.9 | -129.6 | 0 | 0 | 111.7 | D500 R501 L505 R506 I507 | D500-E503 WeakPolarHBondContact O-CB 3.22Å; D500-E503 PolarHBondContact O-N 3.2Å; R501-E503 VanDerWaalsContact C-N 3.31Å; E503-L505 PolarHBondContact O-N 2.87Å; E503-R506 WeakPolarHBondContact O-CA 3.2Å; E503-R506 VanDerWaalsContact O-CB 3.3Å; E503-R506 WeakPolarHBondContact O-CB 3.48Å; E503-R506 PolarHBondContact O-N 2.97Å; E503-I507 HydrophobicContact CG-CD1 4.23Å; E503-I507 WeakPolarHBondContact O-CG1 3.38Å; E503-I507 PolarHBondContact O-N 3.28Å |
| 504 | L | 62.8 | Low | 57.7 | Low | 105 Ų | 105 | 131.9 Ų | 131.9 | 55% | 0.55 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -59.8 | -34.5 | 172.4 | -73.7 | 171.2 | 0 | 0 | 0 | 112.5 | R508 | L504-R508 WeakPolarHBondContact O-CB 3.16Å; L504-R508 PolarHBondContact O-N 2.94Å |
| 505 | L | 68.6 | Low | 58 | Low | 93 Ų | 93 | 133.7 Ų | 133.7 | 49% | 0.487 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -68.8 | -33.2 | 173.4 | -74.2 | 169 | 0 | 0 | 0 | 112.6 | R501 E503 A509 | R501-L505 PolarHBondContact O-N 3.39Å; E503-L505 PolarHBondContact O-N 2.87Å; L505-A509 PolarHBondContact O-N 3.32Å |
| 506 | R | 73.4 | Confident | 58.5 | Low | 157 Ų | 157 | 136.4 Ų | 136.4 | 59% | 0.592 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.3 | -50.8 | 176.5 | -163.4 | -177 | -53.3 | 168 | 9 | 111.5 | E502 E503 R508 A509 E510 | E502-R506 PolarHBondContact O-N 2.94Å; E503-R506 WeakPolarHBondContact O-CA 3.2Å; E503-R506 VanDerWaalsContact O-CB 3.3Å; E503-R506 WeakPolarHBondContact O-CB 3.48Å; E503-R506 PolarHBondContact O-N 2.97Å; R506-R508 PolarHBondContact O-N 2.94Å; R506-A509 WeakPolarHBondContact O-CA 3.29Å; R506-A509 WeakPolarHBondContact O-CB 3.04Å; R506-A509 PolarHBondContact O-N 3.02Å; R506-E510 PolarHBondContact O-N 3.16Å; R506-E510 VanDerWaalsContact O-N 3.16Å |
| 507 | I | 69.2 | Low | 58.7 | Low | 93 Ų | 93 | 142.3 Ų | 142.3 | 48% | 0.477 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -55.1 | -40.7 | 176.2 | -64.9 | 164.6 | 0 | 0 | 0 | 110.6 | E503 A509 E510 | E503-I507 HydrophobicContact CG-CD1 4.23Å; E503-I507 WeakPolarHBondContact O-CG1 3.38Å; E503-I507 PolarHBondContact O-N 3.28Å; I507-A509 VanDerWaalsContact C-N 3.25Å; I507-A509 PolarHBondContact O-N 3.47Å; I507-E510 PolarHBondContact O-N 3.39Å |
| 508 | R | 58.4 | Low | 58.3 | Low | 200 Ų | 200 | 144.7 Ų | 144.7 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.4 | -15.8 | 178.6 | -153.5 | 178.1 | -156.1 | 165.3 | 8.4 | 114.5 | L504 R506 | L504-R508 WeakPolarHBondContact O-CB 3.16Å; L504-R508 PolarHBondContact O-N 2.94Å; R506-R508 PolarHBondContact O-N 2.94Å |
| 509 | A | 62.2 | Low | 57.6 | Low | 86 Ų | 86 | 141.4 Ų | 141.4 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -92.7 | -22.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L505 R506 I507 | L505-A509 PolarHBondContact O-N 3.32Å; R506-A509 WeakPolarHBondContact O-CA 3.29Å; R506-A509 WeakPolarHBondContact O-CB 3.04Å; R506-A509 PolarHBondContact O-N 3.02Å; I507-A509 VanDerWaalsContact C-N 3.25Å; I507-A509 PolarHBondContact O-N 3.47Å |
| 510 | E | 72.3 | Confident | 57 | Low | 156 Ų | 156 | 141.7 Ų | 141.7 | 73% | 0.729 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -87.1 | -19.9 | -174.8 | -165.3 | 156.9 | -168.2 | 0 | 0 | 113.6 | R506 I507 P512 | R506-E510 PolarHBondContact O-N 3.16Å; R506-E510 VanDerWaalsContact O-N 3.16Å; I507-E510 PolarHBondContact O-N 3.39Å; E510-P512 WeakPolarHBondContact O-CD 3.39Å |
| 511 | I | 67 | Low | 56 | Low | 112 Ų | 112 | 142 Ų | 142 | 57% | 0.574 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -67.2 | 118.3 | 175.1 | -62 | 164.8 | 0 | 0 | 0 | 110.6 | R513 | I511-R513 PolarHBondContact O-N 3.15Š|
| 512 | P | 51.6 | Low | 55.2 | Low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 117.6 | -177.4 | 27.5 | -34.2 | 0 | 0 | 0 | 111.6 | E510 A514 | E510-P512 WeakPolarHBondContact O-CD 3.39Å; P512-A514 PolarHBondContact O-N 3.23Å |
| 513 | R | 61.8 | Low | 53.5 | Low | 238 Ų | 238 | 143.5 Ų | 143.5 | 90% | 0.898 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 131.8 | 178.1 | -67.8 | -174.3 | 176.4 | -159.6 | -1 | 111.4 | I511 | I511-R513 PolarHBondContact O-N 3.15Š|
| 514 | A | 45.5 | Very low | 52.5 | Low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 143.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P512 K516 | P512-A514 PolarHBondContact O-N 3.23Å; A514-K516 PolarHBondContact O-N 2.66Å |
| 515 | L | 43.1 | Very low | 50.9 | Low | 176 Ų | 176 | 149.2 Ų | 149.2 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -62.6 | 97.4 | -174.4 | -80.7 | 152.9 | 0 | 0 | 0 | 113.4 | R517 | L515-R517 PolarHBondContact O-N 2.77Š| ||
| 516 | K | 50.6 | Low | 49.1 | Very low | 202 Ų | 202 | 149.4 Ų | 149.4 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | trans | -75.4 | 114.6 | 167.5 | -153.6 | 169.2 | -172.7 | 176.7 | 0 | 109.2 | A514 | A514-K516 PolarHBondContact O-N 2.66Š| ||
| 517 | R | 46.5 | Very low | 47.1 | Very low | 246 Ų | 246 | 147.8 Ų | 147.8 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | trans | -59.5 | 145.4 | -178.5 | -66.6 | -175.6 | 78.4 | -172.1 | 4.4 | 111.1 | L515 | L515-R517 PolarHBondContact O-N 2.77Š| ||
| 518 | R | 41.3 | Very low | 45.3 | Very low | 244 Ų | 244 | 152.9 Ų | 152.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -73.2 | 150.5 | -169.8 | -65 | -175.4 | 177 | -153.7 | 0.7 | 113.7 | ||||
| 519 | G | 35.4 | Very low | 44.2 | Very low | 75 Ų | 75 | 153.4 Ų | 153.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 147.5 | 55.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 520 | S | 39.3 | Very low | 42.5 | Very low | 101 Ų | 101 | 153.7 Ų | 153.7 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | cis | 83.2 | 128.1 | 43.9 | -165.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 521 | V | 35.4 | Very low | 40.7 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | 81.9 | 95.9 | 173.8 | -170.4 | 0 | 0 | 0 | 0 | 116.6 | V523 | V521-V523 HydrophobicContact CG1-CG2 3.69Š| ||
| 522 | D | 41.5 | Very low | 39.8 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -72 | 132.3 | 147.1 | -63.3 | -82 | 0 | 0 | 0 | 110.2 | ||||
| 523 | V | 33.8 | Very low | 38.9 | Very low | 130 Ų | 130 | 158.4 Ų | 158.4 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | trans | -134.9 | 124.2 | 160.5 | 165.4 | 0 | 0 | 0 | 0 | 108.7 | V521 | V521-V523 HydrophobicContact CG1-CG2 3.69Š| ||
| 524 | S | 43 | Very low | 37.9 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -91.4 | 136.5 | -179 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 525 | K | 29.2 | Very low | 37.9 | Very low | 216 Ų | 216 | 153.8 Ų | 153.8 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | -167.7 | 164.3 | 146.4 | -107.9 | 153 | -171.5 | 173 | 0 | 111.3 | ||||
| 526 | S | 31.6 | Very low | 38.5 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -123 | 165.3 | -154.7 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 527 | T | 30 | Very low | 38.7 | Very low | 123 Ų | 123 | 147 Ų | 147 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 74.1 | 150.5 | 173.5 | 83.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 528 | K | 31.4 | Very low | 38.9 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | cis | -134.1 | 177.8 | 13.2 | -69.2 | 177.2 | -178.9 | 176.9 | 0 | 112.5 | ||||
| 529 | K | 36.3 | Very low | 39.5 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | trans | -74.5 | 142.3 | -179.2 | -56.6 | 175.2 | -179.5 | 178.7 | 0 | 113.9 | ||||
| 530 | A | 26.4 | Very low | 40.6 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -162.9 | 144.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 531 | S | 33.3 | Very low | 41.5 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | cis | 168.7 | 95.5 | -9.1 | 45.9 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 532 | Q | 49.3 | Very low | 42.8 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | trans | 19.4 | 113.5 | 153 | -176.7 | 176.1 | -2.9 | 0 | 0 | 118.4 | ||||
| 533 | Y | 33.3 | Very low | 43 | Very low | 205 Ų | 205 | 133.9 Ų | 133.9 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -137.5 | 161.7 | 163 | -133.1 | -97.1 | 0 | 0 | 0 | 113.5 | ||||
| 534 | Q | 39.8 | Very low | 43.9 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 66% | 0.659 | 69% | 0.687 | S | S | * | * | trans | -92.8 | 138.1 | -152.8 | -66.6 | -75.2 | -3.4 | 0 | 0 | 115.5 | ||||
| 535 | P | 45.6 | Very low | 44.3 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -85.9 | 108.9 | 169.5 | 32.9 | -30.6 | 0 | 0 | 0 | 111.6 | ||
| 536 | N | 56.3 | Low | 45.4 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 44% | 0.444 | 68% | 0.675 | S | S | . | * | trans | -176.9 | -5.2 | 157.8 | -98.1 | -43.2 | 0 | 0 | 0 | 116 | Y538 K539 | N536-Y538 PolarHBondContact O-N 3.48Å; N536-K539 PolarHBondContact O-N 3.35Å; N536-K539 WeakPolarHBondContact OD1-CD 3.41Å; N536-K539 VanDerWaalsContact OD1-CE 3.26Å; N536-K539 WeakPolarHBondContact OD1-CE 3.47Å; N536-K539 PolarHBondContact OD1-NZ 3.3Å | ||
| 537 | Q | 53.8 | Low | 46.4 | Very low | 151 Ų | 151 | 137 Ų | 137 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -52.3 | -29.6 | -170.5 | -73.4 | -179.3 | -20.5 | 0 | 0 | 115.5 | K539 T540 | Q537-K539 VanDerWaalsContact C-N 3.28Å; Q537-K539 PolarHBondContact O-N 3.11Å; Q537-T540 PolarHBondContact O-N 2.87Å |
| 538 | Y | 50.6 | Low | 46.7 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 53% | 0.533 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -60.2 | -32 | 177.9 | 64.2 | -90.7 | 0 | 0 | 0 | 113.7 | N536 T540 I541 I542 | N536-Y538 PolarHBondContact O-N 3.48Å; Y538-T540 VanDerWaalsContact C-N 3.35Å; Y538-T540 PolarHBondContact O-N 2.7Å; Y538-I541 PolarHBondContact O-N 2.89Å; Y538-I542 HydrophobicContact CD2-CD1 4.14Å; Y538-I542 WeakPolarHBondContact O-CG1 3.48Å; Y538-I542 PolarHBondContact O-N 3.14Å |
| 539 | K | 55.4 | Low | 47 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 48% | 0.483 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -65.1 | -38.3 | -178.9 | -67 | -177.1 | 179.3 | 156.4 | 0 | 112.1 | N536 Q537 I541 I542 H543 | N536-K539 PolarHBondContact O-N 3.35Å; N536-K539 WeakPolarHBondContact OD1-CD 3.41Å; N536-K539 VanDerWaalsContact OD1-CE 3.26Å; N536-K539 WeakPolarHBondContact OD1-CE 3.47Å; N536-K539 PolarHBondContact OD1-NZ 3.3Å; Q537-K539 VanDerWaalsContact C-N 3.28Å; Q537-K539 PolarHBondContact O-N 3.11Å; K539-I541 VanDerWaalsContact C-N 3.28Å; K539-I541 PolarHBondContact O-N 2.92Å; K539-I542 PolarHBondContact O-N 2.59Å; K539-H543 WeakPolarHBondContact O-CB 3.42Å; K539-H543 PolarHBondContact O-N 3.03Å |
| 540 | T | 56.8 | Low | 46.9 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 56% | 0.558 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.7 | -25.8 | -179.4 | -32 | 0 | 0 | 0 | 0 | 112.8 | Q537 Y538 K544 | Q537-T540 PolarHBondContact O-N 2.87Å; Y538-T540 VanDerWaalsContact C-N 3.35Å; Y538-T540 PolarHBondContact O-N 2.7Å; T540-K544 WeakPolarHBondContact O-CG 3.39Å |
| 541 | I | 58.5 | Low | 47.1 | Very low | 111 Ų | 111 | 143 Ų | 143 | 57% | 0.569 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.5 | -49.3 | 175.6 | -59.1 | 172.5 | 0 | 0 | 0 | 109.6 | Y538 K539 H543 K544 L545 | Y538-I541 PolarHBondContact O-N 2.89Å; K539-I541 VanDerWaalsContact C-N 3.28Å; K539-I541 PolarHBondContact O-N 2.92Å; I541-H543 VanDerWaalsContact C-N 3.3Å; I541-H543 PolarHBondContact O-N 3.05Å; I541-K544 PolarHBondContact O-N 3.22Å; I541-K544 VanDerWaalsContact O-N 3.11Å; I541-L545 HydrophobicContact CG2-CD1 4.43Å; I541-L545 PolarHBondContact O-N 2.82Å |
| 542 | I | 62.1 | Low | 47.1 | Very low | 90 Ų | 90 | 149.3 Ų | 149.3 | 46% | 0.462 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -54.9 | -46.2 | 176.7 | -67.1 | 164.8 | 0 | 0 | 0 | 110.7 | Y538 K539 K544 L545 F546 | Y538-I542 HydrophobicContact CD2-CD1 4.14Å; Y538-I542 WeakPolarHBondContact O-CG1 3.48Å; Y538-I542 PolarHBondContact O-N 3.14Å; K539-I542 PolarHBondContact O-N 2.59Å; I542-K544 PolarHBondContact O-N 3.02Å; I542-L545 PolarHBondContact O-N 2.92Å; I542-F546 HydrophobicContact CG2-CD2 4.28Å; I542-F546 HydrophobicContact CG2-CE2 4.15Å; I542-F546 WeakPolarHBondContact O-CD2 3.34Å |
| 543 | H | 46.5 | Very low | 46.2 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 63% | 0.634 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.5 | -16.4 | -177.5 | -148.1 | -53.3 | 0 | 0 | 0 | 114.5 | K539 I541 | K539-H543 WeakPolarHBondContact O-CB 3.42Å; K539-H543 PolarHBondContact O-N 3.03Å; I541-H543 VanDerWaalsContact C-N 3.3Å; I541-H543 PolarHBondContact O-N 3.05Å |
| 544 | K | 53.6 | Low | 46 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 71% | 0.709 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -89 | -24.2 | 175.4 | -75.2 | -178 | 176.7 | -175.1 | 0 | 113.5 | T540 I541 I542 | T540-K544 WeakPolarHBondContact O-CG 3.39Å; I541-K544 PolarHBondContact O-N 3.22Å; I541-K544 VanDerWaalsContact O-N 3.11Å; I542-K544 PolarHBondContact O-N 3.02Å |
| 545 | L | 51.8 | Low | 45.5 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -74.8 | -30.5 | -178.1 | -76.9 | 162.7 | 0 | 0 | 0 | 113.2 | I541 I542 | I541-L545 HydrophobicContact CG2-CD1 4.43Å; I541-L545 PolarHBondContact O-N 2.82Å; I542-L545 PolarHBondContact O-N 2.92Å |
| 546 | F | 51.4 | Low | 44.8 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 4.2 | -171.6 | -70.5 | -72 | 0 | 0 | 0 | 116 | I542 | I542-F546 HydrophobicContact CG2-CD2 4.28Å; I542-F546 HydrophobicContact CG2-CE2 4.15Å; I542-F546 WeakPolarHBondContact O-CD2 3.34Å |
| 547 | H | 52.6 | Low | 43.7 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | trans | -130.8 | 10.9 | -173.7 | -85.9 | 7.8 | 0 | 0 | 0 | 116.1 | K549 | H547-K549 PolarHBondContact O-N 3.06Å; H547-K549 VanDerWaalsContact O-N 3.14Å | ||
| 548 | R | 36.8 | Very low | 42.5 | Very low | 241 Ų | 241 | 152.9 Ų | 152.9 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -86.1 | 82.6 | 172.5 | -161.7 | 173 | -169.9 | 176.5 | 2.3 | 111.2 | ||||
| 549 | K | 36.8 | Very low | 41.7 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | -61.1 | 152.2 | -179.8 | -173.2 | 174.1 | 178.4 | 179.4 | 0 | 113.3 | H547 | H547-K549 PolarHBondContact O-N 3.06Å; H547-K549 VanDerWaalsContact O-N 3.14Å | ||
| 550 | D | 34.6 | Very low | 40.5 | Very low | 141 Ų | 141 | 153 Ų | 153 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -59.3 | 147.1 | -176.4 | -45.6 | -102.3 | 0 | 0 | 0 | 115.1 | ||||
| 551 | H | 31.2 | Very low | 39.4 | Very low | 187 Ų | 187 | 154.1 Ų | 154.1 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | -153.1 | 142.7 | 154.5 | -92.3 | -64.9 | 0 | 0 | 0 | 111.8 | ||||
| 552 | R | 31.4 | Very low | 38.1 | Very low | 237 Ų | 237 | 154.3 Ų | 154.3 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | 69.6 | 129.1 | 175.7 | -62.5 | -178.9 | 172.7 | -178.1 | -3.8 | 114.3 | ||||
| 553 | N | 30.9 | Very low | 36.6 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | cis | -131.8 | 163.3 | 27.2 | -73.8 | -50.6 | 0 | 0 | 0 | 114.2 | ||||
| 554 | K | 30.6 | Very low | 35.9 | Very low | 212 Ų | 212 | 156.8 Ų | 156.8 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | trans | -142.4 | 120.8 | 168.2 | -176.8 | -174.2 | 178.6 | -173.7 | 0 | 111 | ||||
| 555 | A | 28.3 | Very low | 35 | Very low | 95 Ų | 95 | 152.8 Ų | 152.8 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -164.1 | 139.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 556 | E | 31.6 | Very low | 34.1 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | cis | -137.4 | 166.3 | -2.2 | -58.1 | -179.6 | 119.6 | 0 | 0 | 110.3 | ||||
| 557 | K | 32.6 | Very low | 33.3 | Very low | 206 Ų | 206 | 155.5 Ų | 155.5 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | 141.6 | 145.7 | 135.1 | -82.6 | -169.2 | 172.8 | -174 | 0 | 113.8 | ||||
| 558 | G | 28.9 | Very low | 33 | Very low | 78 Ų | 78 | 153.3 Ų | 153.3 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 95.8 | 107.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 559 | S | 33.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -69.7 | 175.2 | 152.7 | -42.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 560 | D | 30.1 | Very low | 32.2 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | cis | -147.8 | 170.6 | 22.5 | -71.9 | -74.5 | 0 | 0 | 0 | 112.1 | ||||
| 561 | S | 32.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 43.7 | 123.3 | 159.7 | -54 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 562 | S | 31.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | cis | 83 | 101 | 38.7 | -170.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 563 | S | 31.4 | Very low | 34.3 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -176.3 | 140.1 | 141 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 564 | D | 32.8 | Very low | 34.5 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -105.1 | 170.9 | -171.5 | -54.2 | -76.1 | 0 | 0 | 0 | 114.5 | ||||
| 565 | G | 33.4 | Very low | 35.2 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 169.8 | 139.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 566 | E | 33.5 | Very low | 36 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -122.2 | 159.3 | -165.3 | -57.5 | -171.1 | 130.1 | 0 | 0 | 115.8 | ||||
| 567 | E | 34.3 | Very low | 35.9 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | 66.9 | 167.4 | 145.4 | -80.1 | -66.4 | 87.5 | 0 | 0 | 120 | ||||
| 568 | P | 47 | Very low | 35.7 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -135.5 | -170.3 | -135.1 | 44.8 | -27 | 0 | 0 | 0 | 117.9 | ||||
| 569 | A | 27.1 | Very low | 35.8 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 102.9 | 95.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 570 | M | 30.2 | Very low | 35.7 | Very low | 181 Ų | 181 | 134.4 Ų | 134.4 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | 78.7 | 176.9 | 127.4 | -118 | -179.8 | 81.9 | 0 | 0 | 120.4 | |||||
| 571 | P | 58.8 | Low | 36.1 | Very low | 97 Ų | 97 | 133 Ų | 133 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | -119.6 | -167.9 | -117.6 | 46.3 | -29.8 | 0 | 0 | 0 | 114.6 | |||||
| 572 | P | 50.8 | Low | 36.2 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | -156.2 | -163 | 84 | 41.9 | -19.8 | 0 | 0 | 0 | 117.3 | |||||
| 573 | D | 31.5 | Very low | 36.7 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 104.6 | 155.1 | 158.8 | -64.5 | -12 | 0 | 0 | 0 | 121.9 | ||||
| 574 | L | 35.6 | Very low | 36.9 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -124.7 | -142.9 | -138.1 | -64.2 | 163.2 | 0 | 0 | 0 | 116.4 | ||||
| 575 | P | 44.5 | Very low | 37.2 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -125.7 | -158.2 | -118 | 45.2 | -25.2 | 0 | 0 | 0 | 113.4 | |||||
| 576 | P | 45.6 | Very low | 37.7 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -134.3 | 149.1 | -8 | 35.1 | -14.7 | 0 | 0 | 0 | 118.4 | ||||
| 577 | T | 29.2 | Very low | 38.4 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | 43.1 | 113.5 | 137.6 | -29.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 578 | T | 29 | Very low | 38.6 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | 168.6 | 112.6 | 106.4 | 35.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 579 | R | 29.9 | Very low | 38.7 | Very low | 229 Ų | 229 | 137.8 Ų | 137.8 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | 157 | 132.3 | 126.2 | -91.3 | -179.6 | 146 | -169.5 | -7.4 | 115.2 | |||||
| 580 | T | 31.4 | Very low | 39.6 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 72.6 | 157.5 | 152 | 41.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 581 | P | 38.4 | Very low | 40.7 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 173 | -141.6 | 38.9 | -39 | 0 | 0 | 0 | 115.6 | ||
| 582 | P | 35.5 | Very low | 40.5 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 151.8 | -151.6 | 33.4 | -36.6 | 0 | 0 | 0 | 116 | ||
| 583 | V | 40.4 | Very low | 41 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.7 | 159.3 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 584 | I | 37.1 | Very low | 42.3 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 139.8 | 171 | -61.6 | 177.8 | 0 | 0 | 0 | 108.5 | ||
| 585 | P | 38.5 | Very low | 43.3 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 161.9 | 177.6 | -26.6 | 36.2 | 0 | 0 | 0 | 114.8 | ||
| 586 | Q | 44.4 | Very low | 43.9 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 172.3 | -178.5 | -64.3 | -169.1 | 4.5 | 0 | 0 | 113.5 | ||
| 587 | D | 47.5 | Very low | 44.4 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | trans | 65.2 | 91.6 | 165.8 | -72.3 | -36 | 0 | 0 | 0 | 118.5 | ||||
| 588 | E | 39.1 | Very low | 45.7 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | -120.3 | 121 | 111.7 | -95.4 | -98.6 | 116.8 | 0 | 0 | 108.8 | Y590 | E588-Y590 PolarHBondContact O-N 3.07Å; E588-Y590 VanDerWaalsContact O-N 3.08Å | |||
| 589 | K | 47.8 | Very low | 47 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | trans | -87.8 | 77.9 | -168 | -178.3 | 180 | 168.6 | -175.3 | 0 | 110.8 | N591 | K589-N591 PolarHBondContact O-N 2.94Š| ||
| 590 | Y | 46 | Very low | 48.4 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -50.8 | 109.9 | 168.9 | -77.9 | -84.8 | 0 | 0 | 0 | 110.4 | E588 S592 | E588-Y590 PolarHBondContact O-N 3.07Å; E588-Y590 VanDerWaalsContact O-N 3.08Å; Y590-S592 PolarHBondContact O-N 2.94Å | ||
| 591 | N | 54.4 | Low | 49.6 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -77.8 | 75.5 | 178.8 | -75.7 | -44.8 | 0 | 0 | 0 | 109.8 | K589 I593 | K589-N591 PolarHBondContact O-N 2.94Å; N591-I593 PolarHBondContact O-N 3.4Å | ||
| 592 | S | 53.2 | Low | 50.7 | Low | 67 Ų | 67 | 152.1 Ų | 152.1 | 47% | 0.469 | 78% | 0.775 | S | S | . | * | trans | -59.8 | 118.6 | 176.4 | 65 | 0 | 0 | 0 | 0 | 110.7 | Y590 L594 | Y590-S592 PolarHBondContact O-N 2.94Å; S592-L594 CarbonylContact C-O 3.48Å; S592-L594 WeakPolarHBondContact CB-O 3.46Å; S592-L594 PolarHBondContact O-N 3.35Å; S592-L594 PolarHBondContact OG-O 3.19Å | ||
| 593 | I | 62.5 | Low | 51.8 | Low | 177 Ų | 177 | 148.9 Ų | 148.9 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -65.9 | -27.2 | 171.3 | -59.6 | 175.9 | 0 | 0 | 0 | 109.9 | N591 R595 | N591-I593 PolarHBondContact O-N 3.4Å; I593-R595 PolarHBondContact O-N 3.2Å |
| 594 | L | 57.4 | Low | 53.2 | Low | 153 Ų | 153 | 154.2 Ų | 154.2 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -62.3 | 126.2 | 162.1 | -70.1 | 169.1 | 0 | 0 | 0 | 110.5 | S592 K596 | S592-L594 CarbonylContact C-O 3.48Å; S592-L594 WeakPolarHBondContact CB-O 3.46Å; S592-L594 PolarHBondContact O-N 3.35Å; S592-L594 PolarHBondContact OG-O 3.19Å; L594-K596 PolarHBondContact O-N 2.79Å |
| 595 | R | 56.7 | Low | 55.2 | Low | 225 Ų | 225 | 158.2 Ų | 158.2 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 129.2 | -177.7 | -68.7 | 178.4 | 175.7 | 174.8 | 0.9 | 111.3 | I593 | I593-R595 PolarHBondContact O-N 3.2Š|
| 596 | K | 58.8 | Low | 57.3 | Low | 154 Ų | 154 | 157 Ų | 157 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 125.7 | 169.6 | -64.3 | -164.2 | 175.9 | -162.3 | 0 | 110.8 | L594 G598 | L594-K596 PolarHBondContact O-N 2.79Å; K596-G598 PolarHBondContact O-N 3.23Å |
| 597 | P | 55.5 | Low | 59.3 | Low | 136 Ų | 136 | 157.7 Ų | 157.7 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 122.6 | 172.4 | 28.9 | -32.9 | 0 | 0 | 0 | 108.9 | ||
| 598 | G | 56.5 | Low | 61.2 | Low | 73 Ų | 73 | 156.2 Ų | 156.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.7 | -37.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K596 K600 | K596-G598 PolarHBondContact O-N 3.23Å; G598-K600 PolarHBondContact O-N 2.96Å |
| 599 | R | 54.9 | Low | 63.8 | Low | 226 Ų | 226 | 150.6 Ų | 150.6 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -78.5 | 93.7 | 168.3 | -76.8 | -163.9 | 178.6 | -137.9 | 1 | 109.8 | K601 | R599-K601 PolarHBondContact O-N 3.49Š| ||
| 600 | K | 60.2 | Low | 66 | Low | 210 Ų | 210 | 145.4 Ų | 145.4 | 91% | 0.913 | 73% | 0.726 | S | S | * | * | trans | -60.7 | 72.5 | 155.9 | -71.9 | -174.3 | 179.7 | 179.7 | 0 | 109.3 | G598 S602 | G598-K600 PolarHBondContact O-N 2.96Å; K600-S602 PolarHBondContact O-N 3.33Å | ||
| 601 | K | 56.9 | Low | 68.3 | Low | 168 Ų | 168 | 137 Ų | 137 | 73% | 0.73 | 70% | 0.695 | S | S | * | * | trans | -60.1 | 108.8 | 156.8 | -75.3 | -169.8 | 176.2 | -172.4 | 0 | 105 | R599 G603 | R599-K601 PolarHBondContact O-N 3.49Å; K601-G603 PolarHBondContact O-N 3.08Å | ||
| 602 | S | 60.4 | Low | 70.2 | Confident | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | -59.6 | 92.6 | 154 | -175.4 | 0 | 0 | 0 | 0 | 105.5 | K600 R604 | K600-S602 PolarHBondContact O-N 3.33Å; S602-R604 PolarHBondContact O-N 3.45Å | ||
| 603 | G | 59.8 | Low | 72.2 | Confident | 47 Ų | 47 | 133.1 Ų | 133.1 | 49% | 0.485 | 67% | 0.671 | S | S | . | * | trans | -61.2 | 134 | 175.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | K601 R605 | K601-G603 PolarHBondContact O-N 3.08Å; G603-R605 PolarHBondContact O-N 3.06Å | ||
| 604 | R | 69.3 | Low | 73.8 | Confident | 254 Ų | 254 | 124.7 Ų | 124.7 | 96% | 0.958 | 63% | 0.628 | S | S | * | * | trans | -66.3 | 77.6 | 166.8 | -66 | 176.3 | 69.3 | -170.5 | 2 | 107.3 | S602 A606 | S602-R604 PolarHBondContact O-N 3.45Å; R604-A606 PolarHBondContact O-N 2.89Å | ||
| 605 | R | 78.6 | Confident | 75.7 | Confident | 228 Ų | 228 | 118.3 Ų | 118.3 | 86% | 0.86 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 134.1 | 170.3 | -63.7 | -176.3 | 78.7 | 178 | 2.9 | 105.8 | G603 K607 | G603-R605 PolarHBondContact O-N 3.06Å; R605-K607 PolarHBondContact O-N 3.04Å |
| 606 | A | 83.9 | Confident | 77.5 | Confident | 93 Ų | 93 | 112.1 Ų | 112.1 | 77% | 0.769 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 128.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108 | R604 | R604-A606 PolarHBondContact O-N 2.89Š|
| 607 | K | 84.9 | Confident | 79.3 | Confident | 191 Ų | 191 | 104.9 Ų | 104.9 | 83% | 0.83 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 123.2 | 164 | -72.4 | -165.1 | 168.8 | -151.1 | 0 | 106.3 | R605 | R605-K607 PolarHBondContact O-N 3.04Š|
| 608 | L | 89.4 | Confident | 81.3 | Confident | 99 Ų | 99 | 98.4 Ų | 98.4 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 168.5 | 165 | -68.2 | 93.2 | 0 | 0 | 0 | 108.8 | V612 L613 | L608-V612 HydrophobicContact CD2-CG1 3.88Å; L608-L613 HydrophobicContact CB-CD1 4.47Å; L608-L613 HydrophobicContact CB-CD2 4.06Å; L608-L613 HydrophobicContact CB-CG 4.01Å; L608-L613 HydrophobicContact CD1-CD2 4.28Å |
| 609 | S | 92.8 | Very high | 83.2 | Confident | 61 Ų | 61 | 98.8 Ų | 98.8 | 43% | 0.427 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 140.9 | 167.6 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | L611 V612 L613 | S609-L611 PolarHBondContact O-N 3Å; S609-L611 PolarHBondContact OG-N 2.83Å; S609-V612 PolarHBondContact O-N 2.96Å; S609-L613 PolarHBondContact O-N 3.19Å; S609-L613 VanDerWaalsContact O-N 3.1Å |
| 610 | P | 94.3 | Very high | 85.2 | Confident | 34 Ų | 34 | 94.3 Ų | 94.3 | 22% | 0.221 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -58.7 | -33.3 | 175.3 | 24.4 | -33.8 | 0 | 0 | 0 | 111.8 | V612 L613 L614 A629 E632 | P610-V612 VanDerWaalsContact C-N 3.32Å; P610-V612 PolarHBondContact O-N 3.23Å; P610-L613 PolarHBondContact O-N 3.39Å; P610-L614 PolarHBondContact O-N 3.26Å; P610-A629 WeakPolarHBondContact O-CB 3.39Å; P610-E632 HydrophobicContact CB-CB 3.93Å; P610-E632 HydrophobicContact CG-CB 4.44Å |
| 611 | L | 94.6 | Very high | 86.9 | Confident | 26 Ų | 26 | 85.5 Ų | 85.5 | 14% | 0.136 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 172.5 | 176.9 | 62.9 | 0 | 0 | 0 | 112.5 | S609 L614 L615 M633 Q638 | S609-L611 PolarHBondContact O-N 3Å; S609-L611 PolarHBondContact OG-N 2.83Å; L611-L614 PolarHBondContact O-N 2.91Å; L611-L615 HydrophobicContact CD1-CD1 3.96Å; L611-L615 HydrophobicContact CD1-CG 4.2Å; L611-L615 HydrophobicContact CG-CD1 3.91Å; L611-L615 VanDerWaalsContact O-CG 3.27Å; L611-L615 WeakPolarHBondContact O-CG 3.21Å; L611-L615 PolarHBondContact O-N 2.82Å; L611-M633 HydrophobicContact CD1-CE 4.18Å; L611-Q638 HydrophobicContact CD1-CB 4.06Å; L611-Q638 HydrophobicContact CD1-CG 4.05Å; L611-Q638 WeakPolarHBondContact CD1-O 3.46Å; L611-Q638 HydrophobicContact CD2-CG 3.97Å |
| 612 | V | 94.4 | Very high | 88.8 | Confident | 69 Ų | 69 | 82.5 Ų | 82.5 | 42% | 0.418 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | L608 S609 P610 L615 D616 | L608-V612 HydrophobicContact CD2-CG1 3.88Å; S609-V612 PolarHBondContact O-N 2.96Å; P610-V612 VanDerWaalsContact C-N 3.32Å; P610-V612 PolarHBondContact O-N 3.23Å; V612-L615 PolarHBondContact O-N 3.21Å; V612-D616 WeakPolarHBondContact O-CB 3.39Å; V612-D616 PolarHBondContact O-N 3.2Å |
| 613 | L | 94.9 | Very high | 90.4 | Very high | 53 Ų | 53 | 78.8 Ų | 78.8 | 28% | 0.277 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 174.8 | -65.6 | 174.4 | 0 | 0 | 0 | 112.7 | L608 S609 P610 G617 T625 A629 | L608-L613 HydrophobicContact CB-CD1 4.47Å; L608-L613 HydrophobicContact CB-CD2 4.06Å; L608-L613 HydrophobicContact CB-CG 4.01Å; L608-L613 HydrophobicContact CD1-CD2 4.28Å; S609-L613 PolarHBondContact O-N 3.19Å; S609-L613 VanDerWaalsContact O-N 3.1Å; P610-L613 PolarHBondContact O-N 3.39Å; L613-G617 WeakPolarHBondContact O-CA 3.3Å; L613-G617 PolarHBondContact O-N 3.5Å; L613-T625 HydrophobicContact CB-CG2 4.06Å; L613-T625 HydrophobicContact CD2-CG2 4.47Å; L613-A629 HydrophobicContact CB-CB 4.03Å |
| 614 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.7 | -53 | 170.7 | 168 | 61.8 | 0 | 0 | 0 | 110.6 | P610 L611 A618 V626 A629 V630 M633 L662 | P610-L614 PolarHBondContact O-N 3.26Å; L611-L614 PolarHBondContact O-N 2.91Å; L614-A618 WeakPolarHBondContact O-CB 3.49Å; L614-A618 PolarHBondContact O-N 3.44Å; L614-V626 HydrophobicContact CD1-CG1 3.78Å; L614-V626 HydrophobicContact CD1-CG2 4.49Å; L614-A629 HydrophobicContact CB-CB 3.97Å; L614-V630 HydrophobicContact CD1-CG2 4.05Å; L614-M633 HydrophobicContact CD2-CE 3.66Å; L614-M633 HydrophobicContact CD2-SD 3.64Å; L614-L662 HydrophobicContact CD1-CD1 4.43Å; L614-L662 HydrophobicContact CD1-CD2 3.82Å |
| 615 | L | 96.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | -175.1 | -70.2 | 165.3 | 0 | 0 | 0 | 112 | L611 V612 L619 N640 N649 | L611-L615 HydrophobicContact CD1-CD1 3.96Å; L611-L615 HydrophobicContact CD1-CG 4.2Å; L611-L615 HydrophobicContact CG-CD1 3.91Å; L611-L615 VanDerWaalsContact O-CG 3.27Å; L611-L615 WeakPolarHBondContact O-CG 3.21Å; L611-L615 PolarHBondContact O-N 2.82Å; V612-L615 PolarHBondContact O-N 3.21Å; L615-L619 WeakPolarHBondContact O-CB 3.45Å; L615-L619 PolarHBondContact O-N 2.92Å; L615-L619 VanDerWaalsContact O-N 3.11Å; L615-N640 HydrophobicContact CD1-CB 3.89Å; L615-N649 PolarHBondContact O-ND2 3.3Å |
| 616 | D | 96.1 | Very high | 94.1 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.4 | -48.6 | 178.5 | -169.1 | 59.7 | 0 | 0 | 0 | 111 | V612 A618 L619 M620 | V612-D616 WeakPolarHBondContact O-CB 3.39Å; V612-D616 PolarHBondContact O-N 3.2Å; D616-A618 VanDerWaalsContact C-N 3.31Å; D616-A618 PolarHBondContact O-N 3.23Å; D616-L619 PolarHBondContact O-N 3.23Å; D616-M620 WeakPolarHBondContact O-CB 3.48Å; D616-M620 WeakPolarHBondContact O-CG 3.34Å; D616-M620 PolarHBondContact O-N 3.24Å |
| 617 | G | 96.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L613 G621 E622 V626 | L613-G617 WeakPolarHBondContact O-CA 3.3Å; L613-G617 PolarHBondContact O-N 3.5Å; G617-G621 CarbonylContact O-C 3.56Å; G617-G621 PolarHBondContact O-N 3.3Å; G617-E622 PolarHBondContact O-N 3.08Å; G617-V626 VanDerWaalsContact C-CG2 3.48Å |
| 618 | A | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.4 | -35.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L614 D616 M620 V626 G646 N649 A650 H655 V658 | L614-A618 WeakPolarHBondContact O-CB 3.49Å; L614-A618 PolarHBondContact O-N 3.44Å; D616-A618 VanDerWaalsContact C-N 3.31Å; D616-A618 PolarHBondContact O-N 3.23Å; A618-M620 VanDerWaalsContact C-N 3.3Å; A618-V626 HydrophobicContact CB-CG2 4.11Å; A618-G646 WeakPolarHBondContact CB-O 3.15Å; A618-N649 HydrophobicContact CB-CB 4.24Å; A618-A650 HydrophobicContact CB-CB 4.33Å; A618-A650 WeakPolarHBondContact O-CA 3.35Å; A618-H655 PolarHBondContact O-CD2 3.09Å; A618-H655 VanDerWaalsContact O-CD2 3.31Å; A618-V658 HydrophobicContact CB-CG1 4.07Å |
| 619 | L | 96.6 | Very high | 95.2 | Very high | 81 Ų | 81 | 51 Ų | 51 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70 | -27.6 | 175 | -174.4 | 61.6 | 0 | 0 | 0 | 112.8 | L615 D616 N649 H655 | L615-L619 WeakPolarHBondContact O-CB 3.45Å; L615-L619 PolarHBondContact O-N 2.92Å; L615-L619 VanDerWaalsContact O-N 3.11Å; D616-L619 PolarHBondContact O-N 3.23Å; L619-N649 HydrophobicContact CB-CB 3.99Å; L619-N649 HydrophobicContact CD1-CB 4.35Å; L619-H655 PolarHBondContact O-NE2 3.03Å |
| 620 | M | 96.7 | Very high | 95.2 | Very high | 133 Ų | 133 | 48.3 Ų | 48.3 | 66% | 0.655 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -2.8 | -178.5 | -66.1 | -60.3 | -51.2 | 0 | 0 | 114.1 | D616 A618 E622 | D616-M620 WeakPolarHBondContact O-CB 3.48Å; D616-M620 WeakPolarHBondContact O-CG 3.34Å; D616-M620 PolarHBondContact O-N 3.24Å; A618-M620 VanDerWaalsContact C-N 3.3Å; M620-E622 VanDerWaalsContact C-N 3.32Å; M620-E622 PolarHBondContact O-N 3Å |
| 621 | G | 95.6 | Very high | 95.1 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 13.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G617 M623 H655 | G617-G621 CarbonylContact O-C 3.56Å; G617-G621 PolarHBondContact O-N 3.3Å; G621-M623 VanDerWaalsContact C-N 3.29Å; G621-M623 PolarHBondContact O-N 3.48Å; G621-H655 PolarHBondContact N-CD2 2.81Å; G621-H655 VanDerWaalsContact N-CD2 3.26Å; G621-H655 PolarHBondContact N-NE2 3.14Å |
| 622 | E | 96.3 | Very high | 94.9 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | trans | -77.8 | 76.8 | -179.5 | -163.5 | -170.6 | -163.7 | 0 | 0 | 111.3 | G617 M620 D624 T625 V626 | G617-E622 PolarHBondContact O-N 3.08Å; M620-E622 VanDerWaalsContact C-N 3.32Å; M620-E622 PolarHBondContact O-N 3Å; E622-D624 VanDerWaalsContact C-N 3.25Å; E622-D624 PolarHBondContact O-N 3.14Å; E622-D624 VanDerWaalsContact O-N 3.16Å; E622-T625 PolarHBondContact O-N 2.88Å; E622-T625 PolarHBondContact OE1-OG1 3.31Å; E622-T625 WeakPolarHBondContact OE2-CB 3.46Å; E622-T625 PolarHBondContact OE2-OG1 3.01Å; E622-V626 PolarHBondContact O-N 3.41Å | ||
| 623 | M | 95.8 | Very high | 94.6 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 20% | 0.202 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -44.7 | -46.8 | 177.8 | 178.3 | 60.3 | 79.6 | 0 | 0 | 112.8 | G621 T625 V626 M627 E657 V658 F661 | G621-M623 VanDerWaalsContact C-N 3.29Å; G621-M623 PolarHBondContact O-N 3.48Å; M623-T625 VanDerWaalsContact C-N 3.26Å; M623-T625 PolarHBondContact O-N 3.46Å; M623-V626 PolarHBondContact O-N 2.98Å; M623-V626 VanDerWaalsContact O-N 3.14Å; M623-M627 HydrophobicContact CG-CE 4.15Å; M623-M627 HydrophobicContact CG-CG 4.19Å; M623-M627 HydrophobicContact CG-SD 4.39Å; M623-M627 WeakPolarHBondContact O-CB 3.48Å; M623-M627 VanDerWaalsContact O-CG 3.3Å; M623-M627 WeakPolarHBondContact O-CG 3.42Å; M623-M627 PolarHBondContact O-N 3.49Å; M623-M627 HydrophobicContact SD-CG 3.86Å; M623-M627 HydrophobicContact SD-SD 4.49Å; M623-E657 VanDerWaalsContact CE-C 3.42Å; M623-E657 HydrophobicContact CE-CB 3.81Å; M623-E657 VanDerWaalsContact CE-O 3.26Å; M623-E657 WeakPolarHBondContact CE-O 3.14Å; M623-V658 HydrophobicContact CB-CG2 4.47Å; M623-V658 HydrophobicContact CE-CB 4.46Å; M623-V658 HydrophobicContact CE-CG2 4.02Å; M623-F661 HydrophobicContact CE-CB 3.76Å; M623-F661 HydrophobicContact CE-CG 4.33Å; M623-F661 HydrophobicContact SD-CB 3.94Å; M623-F661 HydrophobicContact SD-CD1 4.09Å; M623-F661 HydrophobicContact SD-CD2 4.27Å; M623-F661 HydrophobicContact SD-CG 3.84Å |
| 624 | D | 95.1 | Very high | 94.1 | Very high | 103 Ų | 103 | 61.7 Ų | 61.7 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59 | -32.2 | 179.2 | -95.5 | -32.2 | 0 | 0 | 0 | 114.2 | E622 M627 R628 | E622-D624 VanDerWaalsContact C-N 3.25Å; E622-D624 PolarHBondContact O-N 3.14Å; E622-D624 VanDerWaalsContact O-N 3.16Å; D624-M627 VanDerWaalsContact OD1-CE 3.24Å; D624-M627 WeakPolarHBondContact OD1-CE 3.3Å; D624-R628 WeakPolarHBondContact O-CB 3.49Å; D624-R628 VanDerWaalsContact O-CZ 3.24Å; D624-R628 PolarHBondContact O-N 3.03Å; D624-R628 PolarHBondContact O-NH1 3.44Å; D624-R628 PolarHBondContact O-NH2 3.22Å; D624-R628 VanDerWaalsContact O-NH2 3.08Å |
| 625 | T | 94.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 8% | 0.08 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -84.1 | -35.8 | 175.6 | -74.7 | 0 | 0 | 0 | 0 | 111.5 | L613 E622 M623 R628 A629 | L613-T625 HydrophobicContact CB-CG2 4.06Å; L613-T625 HydrophobicContact CD2-CG2 4.47Å; E622-T625 PolarHBondContact O-N 2.88Å; E622-T625 PolarHBondContact OE1-OG1 3.31Å; E622-T625 WeakPolarHBondContact OE2-CB 3.46Å; E622-T625 PolarHBondContact OE2-OG1 3.01Å; M623-T625 VanDerWaalsContact C-N 3.26Å; M623-T625 PolarHBondContact O-N 3.46Å; T625-R628 PolarHBondContact O-N 3.21Å; T625-R628 PolarHBondContact OG1-NH1 3.01Å; T625-A629 VanDerWaalsContact O-CB 3.23Å; T625-A629 WeakPolarHBondContact O-CB 3.33Å; T625-A629 PolarHBondContact O-N 3.5Å |
| 626 | V | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 171.6 | 174.7 | 0 | 0 | 0 | 0 | 111 | L614 G617 A618 E622 M623 R628 A629 V630 V658 F661 L662 | L614-V626 HydrophobicContact CD1-CG1 3.78Å; L614-V626 HydrophobicContact CD1-CG2 4.49Å; G617-V626 VanDerWaalsContact C-CG2 3.48Å; A618-V626 HydrophobicContact CB-CG2 4.11Å; E622-V626 PolarHBondContact O-N 3.41Å; M623-V626 PolarHBondContact O-N 2.98Å; M623-V626 VanDerWaalsContact O-N 3.14Å; V626-R628 PolarHBondContact O-N 2.86Å; V626-A629 PolarHBondContact O-N 3.48Å; V626-V630 HydrophobicContact CG1-CG2 4.28Å; V626-V630 WeakPolarHBondContact O-CG2 3.5Å; V626-V630 PolarHBondContact O-N 3.34Å; V626-V658 HydrophobicContact CB-CG1 4.43Å; V626-V658 HydrophobicContact CG1-CG1 4.1Å; V626-V658 HydrophobicContact CG2-CG1 3.98Å; V626-F661 HydrophobicContact CG1-CD1 3.9Å; V626-F661 HydrophobicContact CG1-CE1 3.95Å; V626-L662 HydrophobicContact CG1-CD2 3.92Å; V626-L662 HydrophobicContact CG1-CG 4.35Å |
| 627 | M | 94.3 | Very high | 93.3 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 39% | 0.394 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -53.7 | -41.4 | 175.7 | -69.3 | -163.5 | -72.1 | 0 | 0 | 112.3 | M623 D624 K631 F661 | M623-M627 HydrophobicContact CG-CE 4.15Å; M623-M627 HydrophobicContact CG-CG 4.19Å; M623-M627 HydrophobicContact CG-SD 4.39Å; M623-M627 WeakPolarHBondContact O-CB 3.48Å; M623-M627 VanDerWaalsContact O-CG 3.3Å; M623-M627 WeakPolarHBondContact O-CG 3.42Å; M623-M627 PolarHBondContact O-N 3.49Å; M623-M627 HydrophobicContact SD-CG 3.86Å; M623-M627 HydrophobicContact SD-SD 4.49Å; D624-M627 VanDerWaalsContact OD1-CE 3.24Å; D624-M627 WeakPolarHBondContact OD1-CE 3.3Å; M627-K631 WeakPolarHBondContact O-CB 3.26Å; M627-K631 PolarHBondContact O-N 3.16Å; M627-F661 HydrophobicContact CB-CE1 4.4Å; M627-F661 HydrophobicContact CB-CZ 3.97Å; M627-F661 HydrophobicContact CG-CD2 4.37Å; M627-F661 HydrophobicContact CG-CE1 3.95Å; M627-F661 HydrophobicContact CG-CE2 3.73Å; M627-F661 HydrophobicContact CG-CZ 3.5Å; M627-F661 VanDerWaalsContact CG-CZ 3.5Å; M627-F661 HydrophobicContact SD-CE2 4.31Å |
| 628 | R | 93.1 | Very high | 93.2 | Very high | 128 Ų | 128 | 65 Ų | 65 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.7 | -40.4 | -179.1 | -165.4 | -177.5 | -51.9 | 109.1 | 8.7 | 112.5 | D624 T625 V626 K631 E632 | D624-R628 WeakPolarHBondContact O-CB 3.49Å; D624-R628 VanDerWaalsContact O-CZ 3.24Å; D624-R628 PolarHBondContact O-N 3.03Å; D624-R628 PolarHBondContact O-NH1 3.44Å; D624-R628 PolarHBondContact O-NH2 3.22Å; D624-R628 VanDerWaalsContact O-NH2 3.08Å; T625-R628 PolarHBondContact O-N 3.21Å; T625-R628 PolarHBondContact OG1-NH1 3.01Å; V626-R628 PolarHBondContact O-N 2.86Å; R628-K631 PolarHBondContact O-N 2.64Å; R628-E632 PolarHBondContact O-N 2.64Å |
| 629 | A | 93.3 | Very high | 93 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P610 L613 L614 T625 V626 K631 E632 M633 | P610-A629 WeakPolarHBondContact O-CB 3.39Å; L613-A629 HydrophobicContact CB-CB 4.03Å; L614-A629 HydrophobicContact CB-CB 3.97Å; T625-A629 VanDerWaalsContact O-CB 3.23Å; T625-A629 WeakPolarHBondContact O-CB 3.33Å; T625-A629 PolarHBondContact O-N 3.5Å; V626-A629 PolarHBondContact O-N 3.48Å; A629-K631 VanDerWaalsContact C-N 3.27Å; A629-K631 PolarHBondContact O-N 3.06Å; A629-E632 PolarHBondContact O-N 3.44Å; A629-M633 PolarHBondContact O-N 3.28Å |
| 630 | V | 93.1 | Very high | 93 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -35 | 176.5 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | L614 V626 E632 M633 P636 F661 L662 I665 L807 | L614-V630 HydrophobicContact CD1-CG2 4.05Å; V626-V630 HydrophobicContact CG1-CG2 4.28Å; V626-V630 WeakPolarHBondContact O-CG2 3.5Å; V626-V630 PolarHBondContact O-N 3.34Å; V630-E632 VanDerWaalsContact C-N 3.29Å; V630-E632 PolarHBondContact O-N 2.83Å; V630-M633 HydrophobicContact CB-SD 4.49Å; V630-M633 HydrophobicContact CG2-SD 4.2Å; V630-M633 PolarHBondContact O-N 2.89Å; V630-P636 HydrophobicContact CG1-CB 4.34Å; V630-P636 HydrophobicContact CG2-CB 4.48Å; V630-F661 HydrophobicContact CB-CE1 4.49Å; V630-F661 HydrophobicContact CG2-CE1 4.31Å; V630-L662 HydrophobicContact CG2-CD2 3.95Å; V630-I665 HydrophobicContact CG1-CD1 3.95Å; V630-I665 HydrophobicContact CG1-CG2 4.14Å; V630-L807 HydrophobicContact CG1-CD1 4.05Å |
| 631 | K | 91.2 | Very high | 92.9 | Very high | 180 Ų | 180 | 68.5 Ų | 68.5 | 78% | 0.783 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -70.3 | -19.5 | 173.8 | -173 | 161.8 | -175.4 | 158.5 | 0 | 114.4 | M627 R628 A629 | M627-K631 WeakPolarHBondContact O-CB 3.26Å; M627-K631 PolarHBondContact O-N 3.16Å; R628-K631 PolarHBondContact O-N 2.64Å; A629-K631 VanDerWaalsContact C-N 3.27Å; A629-K631 PolarHBondContact O-N 3.06Å |
| 632 | E | 90.8 | Very high | 92.8 | Very high | 127 Ų | 127 | 71.9 Ų | 71.9 | 59% | 0.593 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -97.1 | -3.1 | 176.3 | -73.1 | -168.2 | -168.8 | 0 | 0 | 113.6 | P610 R628 A629 V630 | P610-E632 HydrophobicContact CB-CB 3.93Å; P610-E632 HydrophobicContact CG-CB 4.44Å; R628-E632 PolarHBondContact O-N 2.64Å; A629-E632 PolarHBondContact O-N 3.44Å; V630-E632 VanDerWaalsContact C-N 3.29Å; V630-E632 PolarHBondContact O-N 2.83Å |
| 633 | M | 88.2 | Confident | 92.7 | Very high | 31 Ų | 31 | 67.6 Ų | 67.6 | 15% | 0.153 | 35% | 0.35 | C | S | . | . | trans | -114.4 | 164.2 | -177.5 | 82.7 | -163.9 | -54.7 | 0 | 0 | 113.4 | L611 L614 A629 V630 D635 Q638 | L611-M633 HydrophobicContact CD1-CE 4.18Å; L614-M633 HydrophobicContact CD2-CE 3.66Å; L614-M633 HydrophobicContact CD2-SD 3.64Å; A629-M633 PolarHBondContact O-N 3.28Å; V630-M633 HydrophobicContact CB-SD 4.49Å; V630-M633 HydrophobicContact CG2-SD 4.2Å; V630-M633 PolarHBondContact O-N 2.89Å; M633-D635 WeakPolarHBondContact CE-O 3.43Å; M633-Q638 HydrophobicContact CE-CB 4.37Å | ||
| 634 | S | 85.2 | Confident | 92.7 | Very high | 124 Ų | 124 | 67.6 Ų | 67.6 | 87% | 0.867 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -95.5 | -22.5 | -178.9 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 635 | D | 88.2 | Confident | 92.8 | Very high | 65 Ų | 65 | 63 Ų | 63 | 35% | 0.348 | 33% | 0.326 | S | S | . | . | trans | -147 | 114.8 | 179.6 | 170.4 | 25.5 | 0 | 0 | 0 | 109.9 | M633 S637 Q638 | M633-D635 WeakPolarHBondContact CE-O 3.43Å; D635-S637 PolarHBondContact O-N 2.85Å; D635-S637 WeakPolarHBondContact OD1-CA 3.48Å; D635-S637 WeakPolarHBondContact OD1-CB 3.44Å; D635-S637 PolarHBondContact OD1-N 3.3Å; D635-S637 PolarHBondContact OD1-OG 3.36Å; D635-Q638 PolarHBondContact O-N 3.39Å | ||
| 636 | P | 89.5 | Confident | 92.9 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12 | 177.4 | 32.3 | -37.6 | 0 | 0 | 0 | 113.5 | V630 Q638 I665 A667 | V630-P636 HydrophobicContact CG1-CB 4.34Å; V630-P636 HydrophobicContact CG2-CB 4.48Å; P636-Q638 VanDerWaalsContact C-N 3.3Å; P636-I665 HydrophobicContact CG-CG2 4.2Å; P636-A667 HydrophobicContact CB-CB 4.23Å; P636-A667 HydrophobicContact CG-CB 4.2Å |
| 637 | S | 92.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 12% | 0.119 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.7 | 178.6 | -40.2 | 0 | 0 | 0 | 0 | 113.3 | D635 P639 T645 N668 | D635-S637 PolarHBondContact O-N 2.85Å; D635-S637 WeakPolarHBondContact OD1-CA 3.48Å; D635-S637 WeakPolarHBondContact OD1-CB 3.44Å; D635-S637 PolarHBondContact OD1-N 3.3Å; D635-S637 PolarHBondContact OD1-OG 3.36Å; S637-P639 WeakPolarHBondContact O-CD 3.49Å; S637-T645 VanDerWaalsContact O-CG2 3.25Å; S637-T645 WeakPolarHBondContact O-CG2 3.47Å; S637-N668 PolarHBondContact OG-N 3.46Å; S637-N668 VanDerWaalsContact OG-N 3.08Å |
| 638 | Q | 93.6 | Very high | 93.1 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | trans | -60.5 | 124.9 | -175.5 | -175.7 | 175.2 | 25.1 | 0 | 0 | 111.6 | L611 M633 D635 P636 | L611-Q638 HydrophobicContact CD1-CB 4.06Å; L611-Q638 HydrophobicContact CD1-CG 4.05Å; L611-Q638 WeakPolarHBondContact CD1-O 3.46Å; L611-Q638 HydrophobicContact CD2-CG 3.97Å; M633-Q638 HydrophobicContact CE-CB 4.37Å; D635-Q638 PolarHBondContact O-N 3.39Å; P636-Q638 VanDerWaalsContact C-N 3.3Å | ||
| 639 | P | 94.8 | Very high | 93.3 | Very high | 60 Ų | 60 | 54 Ų | 54 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | trans | -86.4 | 167.7 | 177.9 | 33.9 | -35.4 | 0 | 0 | 0 | 113.4 | S637 G643 I644 T645 | S637-P639 WeakPolarHBondContact O-CD 3.49Å; P639-G643 VanDerWaalsContact CB-C 3.47Å; P639-G643 WeakPolarHBondContact CB-O 3.24Å; P639-I644 CarbonylContact C-O 3.59Å; P639-I644 WeakPolarHBondContact CA-O 3.21Å; P639-T645 HydrophobicContact CB-CG2 3.98Å | ||
| 640 | N | 95.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | trans | -79.2 | -176.9 | 163 | 77.8 | -3.8 | 0 | 0 | 0 | 112.3 | L615 E642 G643 I644 | L615-N640 HydrophobicContact CD1-CB 3.89Å; N640-E642 PolarHBondContact O-N 2.92Å; N640-E642 VanDerWaalsContact O-N 3.08Å; N640-E642 WeakPolarHBondContact OD1-CA 3.47Å; N640-E642 WeakPolarHBondContact OD1-CB 3.34Å; N640-E642 PolarHBondContact OD1-N 2.92Å; N640-G643 PolarHBondContact O-N 3.42Å; N640-G643 PolarHBondContact OD1-N 2.97Å; N640-G643 VanDerWaalsContact OD1-N 3.1Å; N640-I644 PolarHBondContact N-O 3.39Å; N640-I644 WeakPolarHBondContact OD1-CB 3.46Å; N640-I644 PolarHBondContact OD1-N 2.83Å | ||
| 641 | D | 94.6 | Very high | 93.7 | Very high | 175 Ų | 175 | 54 Ų | 54 | 94% | 0.936 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.7 | 178.2 | -72.6 | -24.6 | 0 | 0 | 0 | 114.3 | ||
| 642 | E | 94.6 | Very high | 93.9 | Very high | 96 Ų | 96 | 48.9 Ų | 48.9 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.8 | 179.9 | -58.9 | -177.6 | 146.8 | 0 | 0 | 112.7 | N640 I644 S674 | N640-E642 PolarHBondContact O-N 2.92Å; N640-E642 VanDerWaalsContact O-N 3.08Å; N640-E642 WeakPolarHBondContact OD1-CA 3.47Å; N640-E642 WeakPolarHBondContact OD1-CB 3.34Å; N640-E642 PolarHBondContact OD1-N 2.92Å; E642-I644 VanDerWaalsContact C-N 3.33Å; E642-I644 HydrophobicContact CB-CD1 4.26Å; E642-I644 HydrophobicContact CB-CG1 4.22Å; E642-S674 WeakPolarHBondContact O-CB 3.23Å; E642-S674 PolarHBondContact O-N 3.33Å; E642-S674 PolarHBondContact O-OG 2.92Å |
| 643 | G | 93.9 | Very high | 94 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 86 | -3.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P639 N640 | P639-G643 VanDerWaalsContact CB-C 3.47Å; P639-G643 WeakPolarHBondContact CB-O 3.24Å; N640-G643 PolarHBondContact O-N 3.42Å; N640-G643 PolarHBondContact OD1-N 2.97Å; N640-G643 VanDerWaalsContact OD1-N 3.1Å |
| 644 | I | 96.1 | Very high | 94.4 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | trans | -76.5 | 125.3 | -175.7 | -51.3 | 176 | 0 | 0 | 0 | 109.6 | P639 N640 E642 H648 N649 | P639-I644 CarbonylContact C-O 3.59Å; P639-I644 WeakPolarHBondContact CA-O 3.21Å; N640-I644 PolarHBondContact N-O 3.39Å; N640-I644 WeakPolarHBondContact OD1-CB 3.46Å; N640-I644 PolarHBondContact OD1-N 2.83Å; E642-I644 VanDerWaalsContact C-N 3.33Å; E642-I644 HydrophobicContact CB-CD1 4.26Å; E642-I644 HydrophobicContact CB-CG1 4.22Å; I644-H648 HydrophobicContact CG2-CB 3.7Å; I644-N649 WeakPolarHBondContact CG2-OD1 3.25Å | ||
| 645 | T | 96.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | trans | -100.3 | 167.6 | 178 | 71 | 0 | 0 | 0 | 0 | 111.6 | S637 P639 L647 H648 N649 A671 | S637-T645 VanDerWaalsContact O-CG2 3.25Å; S637-T645 WeakPolarHBondContact O-CG2 3.47Å; P639-T645 HydrophobicContact CB-CG2 3.98Å; T645-L647 PolarHBondContact O-N 3.45Å; T645-L647 VanDerWaalsContact O-N 3.14Å; T645-L647 PolarHBondContact OG1-N 3.05Å; T645-H648 PolarHBondContact N-ND1 2.76Å; T645-H648 WeakPolarHBondContact O-CB 3.37Å; T645-H648 PolarHBondContact O-N 3.34Å; T645-H648 VanDerWaalsContact O-N 3.09Å; T645-H648 PolarHBondContact OG1-ND1 3.06Å; T645-N649 PolarHBondContact O-N 3.48Å; T645-A671 HydrophobicContact CG2-CB 4.01Å | ||
| 646 | G | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56 | -30.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A618 N649 A650 | A618-G646 WeakPolarHBondContact CB-O 3.15Å; G646-N649 PolarHBondContact O-N 3.13Å; G646-A650 PolarHBondContact O-N 2.73Å |
| 647 | L | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 177.9 | -175.8 | 58.1 | 0 | 0 | 0 | 112.6 | T645 A650 I651 T659 L662 V663 P679 | T645-L647 PolarHBondContact O-N 3.45Å; T645-L647 VanDerWaalsContact O-N 3.14Å; T645-L647 PolarHBondContact OG1-N 3.05Å; L647-A650 PolarHBondContact O-N 3.28Å; L647-I651 HydrophobicContact CD1-CD1 4.08Å; L647-I651 HydrophobicContact CG-CD1 4.09Å; L647-I651 WeakPolarHBondContact O-CD1 3.29Å; L647-I651 WeakPolarHBondContact O-CG1 3.38Å; L647-I651 PolarHBondContact O-N 3.43Å; L647-T659 HydrophobicContact CD1-CG2 3.69Å; L647-L662 HydrophobicContact CD1-CB 4.42Å; L647-V663 HydrophobicContact CD1-CG2 3.87Å; L647-V663 HydrophobicContact CD2-CG2 4.13Å; L647-P679 HydrophobicContact CD2-CB 4.12Å; L647-P679 HydrophobicContact CD2-CG 3.77Å; L647-P679 HydrophobicContact CG-CB 4.16Å; L647-P679 HydrophobicContact CG-CG 3.94Å |
| 648 | H | 97.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 173 | -68.4 | 82.6 | 0 | 0 | 0 | 110.7 | I644 T645 A650 I651 C652 A671 W677 | I644-H648 HydrophobicContact CG2-CB 3.7Å; T645-H648 PolarHBondContact N-ND1 2.76Å; T645-H648 WeakPolarHBondContact O-CB 3.37Å; T645-H648 PolarHBondContact O-N 3.34Å; T645-H648 VanDerWaalsContact O-N 3.09Å; T645-H648 PolarHBondContact OG1-ND1 3.06Å; H648-A650 PolarHBondContact O-N 3.44Å; H648-I651 PolarHBondContact O-N 2.96Å; H648-C652 PolarHBondContact O-N 3.46Å; H648-A671 PolarHBondContact CE1-O 3.09Å; H648-A671 PolarHBondContact NE2-O 3.01Å; H648-W677 PolarHBondContact NE2-O 2.91Å |
| 649 | N | 97.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 44 Ų | 44 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 179.4 | -79 | 10.8 | 0 | 0 | 0 | 112.6 | L615 A618 L619 I644 T645 G646 I651 G653 | L615-N649 PolarHBondContact O-ND2 3.3Å; A618-N649 HydrophobicContact CB-CB 4.24Å; L619-N649 HydrophobicContact CB-CB 3.99Å; L619-N649 HydrophobicContact CD1-CB 4.35Å; I644-N649 WeakPolarHBondContact CG2-OD1 3.25Å; T645-N649 PolarHBondContact O-N 3.48Å; G646-N649 PolarHBondContact O-N 3.13Å; N649-I651 VanDerWaalsContact C-N 3.34Å; N649-I651 PolarHBondContact O-N 3.48Å; N649-G653 PolarHBondContact O-N 2.92Å |
| 650 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A618 G646 L647 H648 G654 H655 V658 T659 L662 | A618-A650 HydrophobicContact CB-CB 4.33Å; A618-A650 WeakPolarHBondContact O-CA 3.35Å; G646-A650 PolarHBondContact O-N 2.73Å; L647-A650 PolarHBondContact O-N 3.28Å; H648-A650 PolarHBondContact O-N 3.44Å; A650-G654 PolarHBondContact O-N 3.05Å; A650-H655 PolarHBondContact O-N 3.23Å; A650-V658 HydrophobicContact CB-CB 4.14Å; A650-V658 HydrophobicContact CB-CG1 3.84Å; A650-T659 WeakPolarHBondContact CB-OG1 3.29Å; A650-L662 HydrophobicContact CB-CD1 4.37Å |
| 651 | I | 97.3 | Very high | 96 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.6 | -48.5 | 179.2 | -67.1 | 161.5 | 0 | 0 | 0 | 111.1 | L647 H648 N649 G653 G654 T659 P679 C682 A683 M691 L695 | L647-I651 HydrophobicContact CD1-CD1 4.08Å; L647-I651 HydrophobicContact CG-CD1 4.09Å; L647-I651 WeakPolarHBondContact O-CD1 3.29Å; L647-I651 WeakPolarHBondContact O-CG1 3.38Å; L647-I651 PolarHBondContact O-N 3.43Å; H648-I651 PolarHBondContact O-N 2.96Å; N649-I651 VanDerWaalsContact C-N 3.34Å; N649-I651 PolarHBondContact O-N 3.48Å; I651-G653 PolarHBondContact O-N 3.02Å; I651-G654 PolarHBondContact O-N 2.9Å; I651-T659 HydrophobicContact CD1-CG2 4.41Å; I651-T659 HydrophobicContact CG1-CG2 4.05Å; I651-P679 HydrophobicContact CD1-CB 3.55Å; I651-C682 HydrophobicContact CB-CB 4.49Å; I651-C682 HydrophobicContact CG2-CB 3.87Å; I651-A683 HydrophobicContact CG2-CB 3.86Å; I651-M691 HydrophobicContact CG1-CG 4.26Å; I651-M691 HydrophobicContact CG1-SD 4.26Å; I651-M691 HydrophobicContact CG2-CG 4.31Å; I651-L695 HydrophobicContact CD1-CD1 3.84Å; I651-L695 HydrophobicContact CD1-CD2 4.06Å |
| 652 | C | 95.6 | Very high | 96 | Very high | 72 Ų | 72 | 34 Ų | 34 | 49% | 0.486 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.2 | -19.1 | 177.8 | -68.2 | 0 | 0 | 0 | 0 | 113.8 | H648 | H648-C652 PolarHBondContact O-N 3.46Å |
| 653 | G | 93.8 | Very high | 96 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 31% | 0.309 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -5.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N649 I651 H655 | N649-G653 PolarHBondContact O-N 2.92Å; I651-G653 PolarHBondContact O-N 3.02Å; G653-H655 VanDerWaalsContact C-N 3.27Å; G653-H655 PolarHBondContact O-CE1 3.36Å; G653-H655 PolarHBondContact O-N 3.4Å; G653-H655 PolarHBondContact O-NE2 2.7Å |
| 654 | G | 95 | Very high | 95.9 | Very high | 45 Ų | 45 | 35.4 Ų | 35.4 | 46% | 0.464 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 18.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A650 I651 H656 | A650-G654 PolarHBondContact O-N 3.05Å; I651-G654 PolarHBondContact O-N 2.9Å; G654-H656 VanDerWaalsContact C-N 3.35Å; G654-H656 PolarHBondContact O-N 3.24Å |
| 655 | H | 97 | Very high | 95.7 | Very high | 57 Ų | 57 | 34.1 Ų | 34.1 | 26% | 0.264 | 18% | 0.183 | S | C | . | . | trans | -87.5 | 69.8 | -171.5 | -62.2 | -49.5 | 0 | 0 | 0 | 112.2 | A618 L619 G621 A650 G653 E657 V658 T659 | A618-H655 PolarHBondContact O-CD2 3.09Å; A618-H655 VanDerWaalsContact O-CD2 3.31Å; L619-H655 PolarHBondContact O-NE2 3.03Å; G621-H655 PolarHBondContact N-CD2 2.81Å; G621-H655 VanDerWaalsContact N-CD2 3.26Å; G621-H655 PolarHBondContact N-NE2 3.14Å; A650-H655 PolarHBondContact O-N 3.23Å; G653-H655 VanDerWaalsContact C-N 3.27Å; G653-H655 PolarHBondContact O-CE1 3.36Å; G653-H655 PolarHBondContact O-N 3.4Å; G653-H655 PolarHBondContact O-NE2 2.7Å; H655-E657 VanDerWaalsContact C-N 3.32Å; H655-E657 PolarHBondContact O-N 3.46Å; H655-V658 HydrophobicContact CB-CB 4.09Å; H655-V658 HydrophobicContact CB-CG2 4.13Å; H655-V658 WeakPolarHBondContact O-CB 3.41Å; H655-V658 PolarHBondContact O-N 3.1Å; H655-T659 PolarHBondContact O-N 2.87Å; H655-T659 PolarHBondContact O-OG1 3.1Å | ||
| 656 | H | 96.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 38% | 0.38 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -47.5 | -46.3 | -177.5 | -75.7 | -155.6 | 0 | 0 | 0 | 114 | G654 V658 T659 D660 D688 M691 | G654-H656 VanDerWaalsContact C-N 3.35Å; G654-H656 PolarHBondContact O-N 3.24Å; H656-V658 VanDerWaalsContact C-N 3.34Å; H656-V658 PolarHBondContact O-N 2.99Å; H656-T659 PolarHBondContact O-N 3.06Å; H656-D660 PolarHBondContact O-N 3.08Å; H656-D688 IonicContact CD2-OD2 2.83Å; H656-D688 IonicContact CE1-OD2 2.79Å; H656-D688 IonicContact NE2-OD1 2.76Å; H656-D688 IonicContact NE2-OD2 3.77Å; H656-D688 PolarHBondContact NE2-OD2 2.96Å; H656-M691 HydrophobicContact CB-CE 4.13Å; H656-M691 WeakPolarHBondContact CD2-CE 3.17Å |
| 657 | E | 96.1 | Very high | 95.1 | Very high | 147 Ų | 147 | 34.9 Ų | 34.9 | 69% | 0.687 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -58.7 | -43.9 | 177.7 | -62.3 | -174.3 | 172.2 | 0 | 0 | 112.3 | M623 H655 D660 F661 | M623-E657 VanDerWaalsContact CE-C 3.42Å; M623-E657 HydrophobicContact CE-CB 3.81Å; M623-E657 VanDerWaalsContact CE-O 3.26Å; M623-E657 WeakPolarHBondContact CE-O 3.14Å; H655-E657 VanDerWaalsContact C-N 3.32Å; H655-E657 PolarHBondContact O-N 3.46Å; E657-D660 PolarHBondContact O-N 3.39Å; E657-F661 WeakPolarHBondContact O-CB 3.28Å; E657-F661 PolarHBondContact O-N 2.93Å |
| 658 | V | 96.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.9 | -40.9 | -179.4 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | A618 M623 V626 A650 H655 H656 F661 L662 | A618-V658 HydrophobicContact CB-CG1 4.07Å; M623-V658 HydrophobicContact CB-CG2 4.47Å; M623-V658 HydrophobicContact CE-CB 4.46Å; M623-V658 HydrophobicContact CE-CG2 4.02Å; V626-V658 HydrophobicContact CB-CG1 4.43Å; V626-V658 HydrophobicContact CG1-CG1 4.1Å; V626-V658 HydrophobicContact CG2-CG1 3.98Å; A650-V658 HydrophobicContact CB-CB 4.14Å; A650-V658 HydrophobicContact CB-CG1 3.84Å; H655-V658 HydrophobicContact CB-CB 4.09Å; H655-V658 HydrophobicContact CB-CG2 4.13Å; H655-V658 WeakPolarHBondContact O-CB 3.41Å; H655-V658 PolarHBondContact O-N 3.1Å; H656-V658 VanDerWaalsContact C-N 3.34Å; H656-V658 PolarHBondContact O-N 2.99Å; V658-F661 PolarHBondContact O-N 3.4Å; V658-L662 HydrophobicContact CG1-CD1 4.04Å; V658-L662 HydrophobicContact CG1-CG 4.41Å; V658-L662 WeakPolarHBondContact O-CB 3.46Å; V658-L662 VanDerWaalsContact O-CG 3.3Å; V658-L662 WeakPolarHBondContact O-CG 3.4Å; V658-L662 PolarHBondContact O-N 3.35Å |
| 659 | T | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 172.7 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | L647 A650 I651 H655 H656 F661 L662 V663 M691 Y694 L695 | L647-T659 HydrophobicContact CD1-CG2 3.69Å; A650-T659 WeakPolarHBondContact CB-OG1 3.29Å; I651-T659 HydrophobicContact CD1-CG2 4.41Å; I651-T659 HydrophobicContact CG1-CG2 4.05Å; H655-T659 PolarHBondContact O-N 2.87Å; H655-T659 PolarHBondContact O-OG1 3.1Å; H656-T659 PolarHBondContact O-N 3.06Å; T659-F661 PolarHBondContact O-N 2.97Å; T659-L662 PolarHBondContact O-N 2.9Å; T659-V663 HydrophobicContact CG2-CG2 4.42Å; T659-V663 WeakPolarHBondContact O-CB 3.41Å; T659-V663 WeakPolarHBondContact O-CG2 3.5Å; T659-V663 PolarHBondContact O-N 2.79Å; T659-M691 HydrophobicContact CG2-CE 3.89Å; T659-M691 HydrophobicContact CG2-SD 3.4Å; T659-M691 WeakPolarHBondContact CG2-SD 3.36Å; T659-Y694 HydrophobicContact CG2-CE1 4.41Å; T659-L695 HydrophobicContact CG2-CD2 4.5Å |
| 660 | D | 95.6 | Very high | 94.6 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 17% | 0.171 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 179.4 | 169.4 | 80.9 | 0 | 0 | 0 | 112.7 | H656 E657 R664 Y694 | H656-D660 PolarHBondContact O-N 3.08Å; E657-D660 PolarHBondContact O-N 3.39Å; D660-R664 VanDerWaalsContact O-CB 3.29Å; D660-R664 WeakPolarHBondContact O-CB 3.46Å; D660-R664 WeakPolarHBondContact O-CG 3.5Å; D660-R664 PolarHBondContact O-N 3.05Å; D660-R664 IonicContact OD1-CZ 3.11Å; D660-R664 IonicContact OD1-NE 2.77Å; D660-R664 PolarHBondContact OD1-NE 2.93Å; D660-R664 IonicContact OD1-NH2 2.82Å; D660-R664 PolarHBondContact OD1-NH2 3.06Å; D660-R664 WeakPolarHBondContact OD2-CD 3.26Å; D660-R664 IonicContact OD2-CZ 2.79Å; D660-R664 IonicContact OD2-NE 2.89Å; D660-R664 PolarHBondContact OD2-NE 2.8Å; D660-R664 IonicContact OD2-NH1 3.32Å; D660-R664 PolarHBondContact OD2-NH1 2.91Å; D660-R664 IonicContact OD2-NH2 2.93Å; D660-R664 PolarHBondContact OD2-NH2 2.81Å; D660-Y694 VanDerWaalsContact CA-OH 3.29Å; D660-Y694 WeakPolarHBondContact CA-OH 3.49Å; D660-Y694 HydrophobicContact CB-CE2 4.4Å; D660-Y694 PolarHBondContact OD1-OH 2.93Å |
| 661 | F | 95.4 | Very high | 94.4 | Very high | 47 Ų | 47 | 34.7 Ų | 34.7 | 21% | 0.206 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -48.7 | 172.3 | 175.9 | -102.4 | 0 | 0 | 0 | 112.3 | M623 V626 M627 V630 E657 V658 T659 R664 I665 | M623-F661 HydrophobicContact CE-CB 3.76Å; M623-F661 HydrophobicContact CE-CG 4.33Å; M623-F661 HydrophobicContact SD-CB 3.94Å; M623-F661 HydrophobicContact SD-CD1 4.09Å; M623-F661 HydrophobicContact SD-CD2 4.27Å; M623-F661 HydrophobicContact SD-CG 3.84Å; V626-F661 HydrophobicContact CG1-CD1 3.9Å; V626-F661 HydrophobicContact CG1-CE1 3.95Å; M627-F661 HydrophobicContact CB-CE1 4.4Å; M627-F661 HydrophobicContact CB-CZ 3.97Å; M627-F661 HydrophobicContact CG-CD2 4.37Å; M627-F661 HydrophobicContact CG-CE1 3.95Å; M627-F661 HydrophobicContact CG-CE2 3.73Å; M627-F661 HydrophobicContact CG-CZ 3.5Å; M627-F661 VanDerWaalsContact CG-CZ 3.5Å; M627-F661 HydrophobicContact SD-CE2 4.31Å; V630-F661 HydrophobicContact CB-CE1 4.49Å; V630-F661 HydrophobicContact CG2-CE1 4.31Å; E657-F661 WeakPolarHBondContact O-CB 3.28Å; E657-F661 PolarHBondContact O-N 2.93Å; V658-F661 PolarHBondContact O-N 3.4Å; T659-F661 PolarHBondContact O-N 2.97Å; F661-R664 PolarHBondContact O-N 3.3Å; F661-I665 HydrophobicContact CD1-CD1 3.74Å; F661-I665 HydrophobicContact CD2-CD1 4.04Å; F661-I665 HydrophobicContact CE1-CD1 3.3Å; F661-I665 HydrophobicContact CE2-CD1 3.64Å; F661-I665 HydrophobicContact CG-CD1 4.09Å; F661-I665 HydrophobicContact CZ-CD1 3.24Å; F661-I665 WeakPolarHBondContact O-CD1 3.48Å; F661-I665 VanDerWaalsContact O-CG1 3.29Å; F661-I665 WeakPolarHBondContact O-CG1 3.34Å; F661-I665 PolarHBondContact O-N 3.2Å |
| 662 | L | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | -179.4 | -69.7 | 173.9 | 0 | 0 | 0 | 112.2 | L614 V626 V630 L647 A650 V658 T659 I665 G666 A667 | L614-L662 HydrophobicContact CD1-CD1 4.43Å; L614-L662 HydrophobicContact CD1-CD2 3.82Å; V626-L662 HydrophobicContact CG1-CD2 3.92Å; V626-L662 HydrophobicContact CG1-CG 4.35Å; V630-L662 HydrophobicContact CG2-CD2 3.95Å; L647-L662 HydrophobicContact CD1-CB 4.42Å; A650-L662 HydrophobicContact CB-CD1 4.37Å; V658-L662 HydrophobicContact CG1-CD1 4.04Å; V658-L662 HydrophobicContact CG1-CG 4.41Å; V658-L662 WeakPolarHBondContact O-CB 3.46Å; V658-L662 VanDerWaalsContact O-CG 3.3Å; V658-L662 WeakPolarHBondContact O-CG 3.4Å; V658-L662 PolarHBondContact O-N 3.35Å; T659-L662 PolarHBondContact O-N 2.9Å; L662-I665 PolarHBondContact O-N 2.62Å; L662-G666 PolarHBondContact O-N 3.16Å; L662-A667 HydrophobicContact CB-CB 4.12Å; L662-A667 VanDerWaalsContact O-CB 3.26Å; L662-A667 WeakPolarHBondContact O-CB 3.43Å; L662-A667 PolarHBondContact O-N 3Å |
| 663 | V | 94.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L647 T659 I665 G666 V669 Y694 N698 V802 | L647-V663 HydrophobicContact CD1-CG2 3.87Å; L647-V663 HydrophobicContact CD2-CG2 4.13Å; T659-V663 HydrophobicContact CG2-CG2 4.42Å; T659-V663 WeakPolarHBondContact O-CB 3.41Å; T659-V663 WeakPolarHBondContact O-CG2 3.5Å; T659-V663 PolarHBondContact O-N 2.79Å; V663-I665 PolarHBondContact O-N 3.39Å; V663-G666 PolarHBondContact O-N 2.85Å; V663-V669 HydrophobicContact CG1-CG2 4.19Å; V663-V669 HydrophobicContact CG2-CG2 4.21Å; V663-Y694 HydrophobicContact CB-CE1 4.05Å; V663-Y694 HydrophobicContact CG1-CE1 4.01Å; V663-Y694 HydrophobicContact CG2-CE1 4.1Å; V663-N698 HydrophobicContact CG1-CB 3.62Å; V663-V802 HydrophobicContact CG1-CG2 3.95Å; V663-V802 WeakPolarHBondContact O-CG1 3.37Å |
| 664 | R | 92.4 | Very high | 94.1 | Very high | 139 Ų | 139 | 34.7 Ų | 34.7 | 53% | 0.525 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.1 | -22.9 | 176.3 | -76.3 | 173.2 | -175.3 | -174.7 | 12.8 | 114.7 | D660 F661 G666 | D660-R664 VanDerWaalsContact O-CB 3.29Å; D660-R664 WeakPolarHBondContact O-CB 3.46Å; D660-R664 WeakPolarHBondContact O-CG 3.5Å; D660-R664 PolarHBondContact O-N 3.05Å; D660-R664 IonicContact OD1-CZ 3.11Å; D660-R664 IonicContact OD1-NE 2.77Å; D660-R664 PolarHBondContact OD1-NE 2.93Å; D660-R664 IonicContact OD1-NH2 2.82Å; D660-R664 PolarHBondContact OD1-NH2 3.06Å; D660-R664 WeakPolarHBondContact OD2-CD 3.26Å; D660-R664 IonicContact OD2-CZ 2.79Å; D660-R664 IonicContact OD2-NE 2.89Å; D660-R664 PolarHBondContact OD2-NE 2.8Å; D660-R664 IonicContact OD2-NH1 3.32Å; D660-R664 PolarHBondContact OD2-NH1 2.91Å; D660-R664 IonicContact OD2-NH2 2.93Å; D660-R664 PolarHBondContact OD2-NH2 2.81Å; F661-R664 PolarHBondContact O-N 3.3Å; R664-G666 VanDerWaalsContact C-N 3.34Å |
| 665 | I | 90.4 | Very high | 94 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 8% | 0.077 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.3 | 175.4 | -60.2 | 161.3 | 0 | 0 | 0 | 111.1 | V630 P636 F661 L662 V663 P804 L807 | V630-I665 HydrophobicContact CG1-CD1 3.95Å; V630-I665 HydrophobicContact CG1-CG2 4.14Å; P636-I665 HydrophobicContact CG-CG2 4.2Å; F661-I665 HydrophobicContact CD1-CD1 3.74Å; F661-I665 HydrophobicContact CD2-CD1 4.04Å; F661-I665 HydrophobicContact CE1-CD1 3.3Å; F661-I665 HydrophobicContact CE2-CD1 3.64Å; F661-I665 HydrophobicContact CG-CD1 4.09Å; F661-I665 HydrophobicContact CZ-CD1 3.24Å; F661-I665 WeakPolarHBondContact O-CD1 3.48Å; F661-I665 VanDerWaalsContact O-CG1 3.29Å; F661-I665 WeakPolarHBondContact O-CG1 3.34Å; F661-I665 PolarHBondContact O-N 3.2Å; L662-I665 PolarHBondContact O-N 2.62Å; V663-I665 PolarHBondContact O-N 3.39Å; I665-P804 WeakPolarHBondContact O-CA 3.48Å; I665-P804 WeakPolarHBondContact O-CB 3.24Å; I665-L807 HydrophobicContact CG1-CD2 4.47Å; I665-L807 HydrophobicContact CG2-CD1 4.3Å; I665-L807 HydrophobicContact CG2-CG 4.49Å |
| 666 | G | 88.9 | Confident | 93.8 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 31.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L662 V663 R664 | L662-G666 PolarHBondContact O-N 3.16Å; V663-G666 PolarHBondContact O-N 2.85Å; R664-G666 VanDerWaalsContact C-N 3.34Å |
| 667 | A | 92.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | trans | -59.9 | 136.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P636 L662 V669 | P636-A667 HydrophobicContact CB-CB 4.23Å; P636-A667 HydrophobicContact CG-CB 4.2Å; L662-A667 HydrophobicContact CB-CB 4.12Å; L662-A667 VanDerWaalsContact O-CB 3.26Å; L662-A667 WeakPolarHBondContact O-CB 3.43Å; L662-A667 PolarHBondContact O-N 3Å; A667-V669 PolarHBondContact O-N 3.11Å | ||
| 668 | N | 91.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | trans | -66.1 | 104.4 | -173.9 | -179.9 | 19.3 | 0 | 0 | 0 | 112.7 | S637 S670 A671 | S637-N668 PolarHBondContact OG-N 3.46Å; S637-N668 VanDerWaalsContact OG-N 3.08Å; N668-S670 PolarHBondContact O-N 3.22Å; N668-S670 VanDerWaalsContact O-N 3.14Å; N668-S670 PolarHBondContact OD1-N 2.82Å; N668-A671 HydrophobicContact CB-CB 4.2Å; N668-A671 WeakPolarHBondContact ND2-CA 3.22Å; N668-A671 PolarHBondContact ND2-N 3.36Å; N668-A671 WeakPolarHBondContact O-CB 3.46Å; N668-A671 PolarHBondContact O-N 2.83Å; N668-A671 VanDerWaalsContact O-N 3.15Å | ||
| 669 | V | 94.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.024 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.8 | 176.8 | -164.3 | 0 | 0 | 0 | 0 | 113 | V663 A667 P679 L695 N698 A700 | V663-V669 HydrophobicContact CG1-CG2 4.19Å; V663-V669 HydrophobicContact CG2-CG2 4.21Å; A667-V669 PolarHBondContact O-N 3.11Å; V669-P679 WeakPolarHBondContact O-CB 3.4Å; V669-P679 WeakPolarHBondContact O-CD 3.25Å; V669-P679 VanDerWaalsContact O-CG 3.29Å; V669-P679 WeakPolarHBondContact O-CG 3.44Å; V669-L695 HydrophobicContact CG1-CB 4.21Å; V669-L695 HydrophobicContact CG1-CD2 3.67Å; V669-N698 HydrophobicContact CG2-CB 4.39Å; V669-A700 HydrophobicContact CG1-CB 3.93Å |
| 670 | S | 93.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 36.2 | 179.2 | -58 | 0 | 0 | 0 | 0 | 112.5 | N668 P672 G699 A700 A701 | N668-S670 PolarHBondContact O-N 3.22Å; N668-S670 VanDerWaalsContact O-N 3.14Å; N668-S670 PolarHBondContact OD1-N 2.82Å; S670-P672 WeakPolarHBondContact O-CD 3.42Å; S670-G699 PolarHBondContact OG-O 3.43Å; S670-A700 WeakPolarHBondContact OG-CA 3.45Å; S670-A701 PolarHBondContact OG-N 3.31Å |
| 671 | A | 92.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | trans | -74.5 | 125.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | I363 T645 H648 N668 P679 | I363-A671 HydrophobicContact CD1-CB 4.4Å; T645-A671 HydrophobicContact CG2-CB 4.01Å; H648-A671 PolarHBondContact CE1-O 3.09Å; H648-A671 PolarHBondContact NE2-O 3.01Å; N668-A671 HydrophobicContact CB-CB 4.2Å; N668-A671 WeakPolarHBondContact ND2-CA 3.22Å; N668-A671 PolarHBondContact ND2-N 3.36Å; N668-A671 WeakPolarHBondContact O-CB 3.46Å; N668-A671 PolarHBondContact O-N 2.83Å; N668-A671 VanDerWaalsContact O-N 3.15Å; A671-P679 VanDerWaalsContact O-CD 3.29Å; A671-P679 WeakPolarHBondContact O-CD 3.45Å | ||
| 672 | P | 93.6 | Very high | 93.9 | Very high | 29 Ų | 29 | 22 Ų | 22 | 19% | 0.188 | 11% | 0.112 | C | C | . | . | trans | -88.6 | 141.2 | 174.6 | 33.2 | -32.5 | 0 | 0 | 0 | 112.6 | S670 W677 T678 | S670-P672 WeakPolarHBondContact O-CD 3.42Å; P672-W677 CarbonylContact C-O 3.53Å; P672-W677 VanDerWaalsContact CA-O 3.27Å; P672-W677 WeakPolarHBondContact CA-O 3.33Å; P672-T678 HydrophobicContact CB-CG2 4.48Å | ||
| 673 | D | 94.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 22 Ų | 22 | 11% | 0.107 | 11% | 0.112 | C | C | . | . | trans | -75.2 | -178.3 | 168.7 | 97.5 | -46.8 | 0 | 0 | 0 | 112.2 | H675 G676 W677 | D673-H675 PolarHBondContact O-N 2.78Å; D673-H675 WeakPolarHBondContact OD1-CA 3.37Å; D673-H675 VanDerWaalsContact OD1-CB 3.32Å; D673-H675 WeakPolarHBondContact OD1-CB 3.34Å; D673-H675 PolarHBondContact OD1-N 2.88Å; D673-H675 IonicContact OD2-CE1 3.94Å; D673-H675 IonicContact OD2-CG 2.94Å; D673-H675 PolarHBondContact OD2-N 3.28Å; D673-H675 IonicContact OD2-ND1 2.8Å; D673-H675 PolarHBondContact OD2-ND1 3.26Å; D673-G676 PolarHBondContact O-N 3.19Å; D673-G676 PolarHBondContact OD1-N 2.54Å; D673-W677 PolarHBondContact N-O 3.41Å; D673-W677 WeakPolarHBondContact OD1-CB 3.36Å; D673-W677 PolarHBondContact OD1-N 3.27Å | ||
| 674 | S | 93.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 21.9 Ų | 21.9 | 42% | 0.42 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -11.9 | 175.4 | 60 | 0 | 0 | 0 | 0 | 115.3 | E642 | E642-S674 WeakPolarHBondContact O-CB 3.23Å; E642-S674 PolarHBondContact O-N 3.33Å; E642-S674 PolarHBondContact O-OG 2.92Å |
| 675 | H | 92.3 | Very high | 94.4 | Very high | 60 Ų | 60 | 17 Ų | 17 | 28% | 0.278 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 2.2 | 176.8 | -49.3 | 108.5 | 0 | 0 | 0 | 113.6 | D673 W677 H707 R708 | D673-H675 PolarHBondContact O-N 2.78Å; D673-H675 WeakPolarHBondContact OD1-CA 3.37Å; D673-H675 VanDerWaalsContact OD1-CB 3.32Å; D673-H675 WeakPolarHBondContact OD1-CB 3.34Å; D673-H675 PolarHBondContact OD1-N 2.88Å; D673-H675 IonicContact OD2-CE1 3.94Å; D673-H675 IonicContact OD2-CG 2.94Å; D673-H675 PolarHBondContact OD2-N 3.28Å; D673-H675 IonicContact OD2-ND1 2.8Å; D673-H675 PolarHBondContact OD2-ND1 3.26Å; H675-W677 VanDerWaalsContact C-N 3.31Å; H675-H707 WeakPolarHBondContact O-CB 3.4Å; H675-H707 PolarHBondContact O-N 2.88Å; H675-R708 PolarHBondContact CD2-NE 3.41Å; H675-R708 PolarHBondContact CD2-NH2 3.23Å; H675-R708 PolarHBondContact NE2-NH2 3.31Å |
| 676 | G | 92.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 79.2 | 8.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D673 H707 | D673-G676 PolarHBondContact O-N 3.19Å; D673-G676 PolarHBondContact OD1-N 2.54Å; G676-H707 VanDerWaalsContact CA-ND1 3.35Å; G676-H707 WeakPolarHBondContact CA-ND1 3.27Å; G676-H707 PolarHBondContact N-ND1 2.89Å |
| 677 | W | 95.4 | Very high | 95 | Very high | 72 Ų | 72 | 18.8 Ų | 18.8 | 27% | 0.273 | 11% | 0.108 | S | C | . | . | trans | -68.1 | 140.3 | 168.8 | -73.4 | 56.6 | 0 | 0 | 0 | 109 | H648 P672 D673 H675 H681 T706 K716 | H648-W677 PolarHBondContact NE2-O 2.91Å; P672-W677 CarbonylContact C-O 3.53Å; P672-W677 VanDerWaalsContact CA-O 3.27Å; P672-W677 WeakPolarHBondContact CA-O 3.33Å; D673-W677 PolarHBondContact N-O 3.41Å; D673-W677 WeakPolarHBondContact OD1-CB 3.36Å; D673-W677 PolarHBondContact OD1-N 3.27Å; H675-W677 VanDerWaalsContact C-N 3.31Å; W677-H681 HydrophobicContact CB-CB 4.32Å; W677-H681 HydrophobicContact CD2-CB 4.17Å; W677-H681 HydrophobicContact CE3-CB 3.76Å; W677-H681 HydrophobicContact CG-CB 4.44Å; W677-H681 HydrophobicContact CZ3-CB 4.4Å; W677-T706 HydrophobicContact CD2-CG2 4.42Å; W677-T706 HydrophobicContact CG-CG2 4.01Å; W677-K716 HydrophobicContact CH2-CD 4.04Å; W677-K716 HydrophobicContact CH2-CG 4.26Å; W677-K716 HydrophobicContact CZ2-CD 3.95Å; W677-K716 HydrophobicContact CZ2-CG 4.47Å | ||
| 678 | T | 96 | Very high | 95.1 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | trans | -116.3 | 167.5 | 174.8 | 65.7 | 0 | 0 | 0 | 0 | 109.2 | M360 P672 L680 H681 C682 A704 | M360-T678 HydrophobicContact SD-CG2 4.38Å; P672-T678 HydrophobicContact CB-CG2 4.48Å; T678-L680 PolarHBondContact O-N 3.28Å; T678-H681 PolarHBondContact N-ND1 2.94Å; T678-H681 VanDerWaalsContact N-ND1 3.19Å; T678-H681 WeakPolarHBondContact O-CB 3.27Å; T678-H681 PolarHBondContact O-N 2.83Å; T678-H681 PolarHBondContact OG1-ND1 3.48Å; T678-C682 PolarHBondContact O-N 3.41Å; T678-C682 VanDerWaalsContact O-N 3.09Å; T678-A704 HydrophobicContact CG2-CB 4.08Å | ||
| 679 | P | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -44.3 | -36.7 | 170 | -36.3 | 40.6 | 0 | 0 | 0 | 114.6 | L647 I651 V669 A671 C682 A683 L695 | L647-P679 HydrophobicContact CD2-CB 4.12Å; L647-P679 HydrophobicContact CD2-CG 3.77Å; L647-P679 HydrophobicContact CG-CB 4.16Å; L647-P679 HydrophobicContact CG-CG 3.94Å; I651-P679 HydrophobicContact CD1-CB 3.55Å; V669-P679 WeakPolarHBondContact O-CB 3.4Å; V669-P679 WeakPolarHBondContact O-CD 3.25Å; V669-P679 VanDerWaalsContact O-CG 3.29Å; V669-P679 WeakPolarHBondContact O-CG 3.44Å; A671-P679 VanDerWaalsContact O-CD 3.29Å; A671-P679 WeakPolarHBondContact O-CD 3.45Å; P679-C682 PolarHBondContact O-N 3.29Å; P679-A683 PolarHBondContact O-N 3.19Å; P679-L695 HydrophobicContact CB-CD1 4.41Å; P679-L695 HydrophobicContact CB-CD2 4.26Å |
| 680 | L | 97.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.8 | -38.7 | 177.1 | -168.8 | 66.9 | 0 | 0 | 0 | 113 | T678 C682 A683 A684 C692 L695 V696 A700 A713 L731 | T678-L680 PolarHBondContact O-N 3.28Å; L680-C682 VanDerWaalsContact C-N 3.32Å; L680-A683 PolarHBondContact O-N 2.9Å; L680-A684 WeakPolarHBondContact O-CB 3.38Å; L680-A684 PolarHBondContact O-N 3.45Å; L680-C692 HydrophobicContact CD1-CB 4.09Å; L680-L695 HydrophobicContact CD1-CB 4.04Å; L680-L695 HydrophobicContact CD1-CD1 4.37Å; L680-V696 HydrophobicContact CD1-CG2 4.04Å; L680-V696 HydrophobicContact CD2-CG2 4.34Å; L680-A700 HydrophobicContact CB-CB 4.29Å; L680-A700 HydrophobicContact CD1-CB 4.44Å; L680-A700 HydrophobicContact CD2-CB 4.14Å; L680-A713 HydrophobicContact CB-CB 4.44Å; L680-A713 HydrophobicContact CD2-CB 3.87Å; L680-A713 HydrophobicContact CG-CB 3.78Å; L680-L731 HydrophobicContact CD1-CD2 4.08Å; L680-L731 HydrophobicContact CD2-CD2 4.33Å; L680-L731 HydrophobicContact CG-CD2 4.33Å |
| 681 | H | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -36.8 | 173.4 | -65.8 | 92.7 | 0 | 0 | 0 | 111.7 | W677 T678 S685 A704 A711 A713 K716 | W677-H681 HydrophobicContact CB-CB 4.32Å; W677-H681 HydrophobicContact CD2-CB 4.17Å; W677-H681 HydrophobicContact CE3-CB 3.76Å; W677-H681 HydrophobicContact CG-CB 4.44Å; W677-H681 HydrophobicContact CZ3-CB 4.4Å; T678-H681 PolarHBondContact N-ND1 2.94Å; T678-H681 VanDerWaalsContact N-ND1 3.19Å; T678-H681 WeakPolarHBondContact O-CB 3.27Å; T678-H681 PolarHBondContact O-N 2.83Å; T678-H681 PolarHBondContact OG1-ND1 3.48Å; H681-S685 WeakPolarHBondContact O-CB 3.3Å; H681-S685 PolarHBondContact O-N 3.47Å; H681-S685 PolarHBondContact O-OG 3.49Å; H681-A704 PolarHBondContact NE2-O 3.11Å; H681-A711 PolarHBondContact NE2-O 2.99Å; H681-A713 PolarHBondContact NE2-N 3.04Å; H681-K716 HydrophobicContact CB-CG 4.38Å |
| 682 | C | 96.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -49.1 | 174.1 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | I651 T678 P679 L680 A684 S685 C686 | I651-C682 HydrophobicContact CB-CB 4.49Å; I651-C682 HydrophobicContact CG2-CB 3.87Å; T678-C682 PolarHBondContact O-N 3.41Å; T678-C682 VanDerWaalsContact O-N 3.09Å; P679-C682 PolarHBondContact O-N 3.29Å; L680-C682 VanDerWaalsContact C-N 3.32Å; C682-A684 VanDerWaalsContact C-N 3.34Å; C682-A684 PolarHBondContact O-N 3.09Å; C682-S685 PolarHBondContact O-N 3.35Å; C682-S685 PolarHBondContact O-OG 3.35Å; C682-C686 PolarHBondContact O-N 2.99Å |
| 683 | A | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | I651 P679 L680 S685 C686 N687 D688 M691 C692 L695 | I651-A683 HydrophobicContact CG2-CB 3.86Å; P679-A683 PolarHBondContact O-N 3.19Å; L680-A683 PolarHBondContact O-N 2.9Å; A683-S685 PolarHBondContact O-N 3.49Å; A683-C686 PolarHBondContact O-N 3.39Å; A683-C686 VanDerWaalsContact O-N 3.13Å; A683-N687 PolarHBondContact O-N 3.21Å; A683-D688 PolarHBondContact O-N 3.03Å; A683-D688 VanDerWaalsContact O-N 3.1Å; A683-M691 HydrophobicContact CB-CB 4.12Å; A683-M691 HydrophobicContact CB-CG 3.76Å; A683-C692 VanDerWaalsContact CB-SG 3.55Å; A683-L695 HydrophobicContact CB-CD1 3.73Å |
| 684 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L680 C682 C686 N687 A713 K716 C717 L731 | L680-A684 WeakPolarHBondContact O-CB 3.38Å; L680-A684 PolarHBondContact O-N 3.45Å; C682-A684 VanDerWaalsContact C-N 3.34Å; C682-A684 PolarHBondContact O-N 3.09Å; A684-C686 PolarHBondContact O-N 3.1Å; A684-C686 VanDerWaalsContact O-N 3.11Å; A684-N687 WeakPolarHBondContact O-CA 3.29Å; A684-N687 PolarHBondContact O-N 2.93Å; A684-N687 PolarHBondContact O-OD1 3.13Å; A684-A713 HydrophobicContact CB-CB 4.4Å; A684-A713 WeakPolarHBondContact CB-O 3.29Å; A684-K716 HydrophobicContact CB-CB 4.27Å; A684-C717 WeakPolarHBondContact O-CA 3.37Å; A684-L731 HydrophobicContact CB-CD1 3.6Å |
| 685 | S | 96.4 | Very high | 96.2 | Very high | 35 Ų | 35 | 27.3 Ų | 27.3 | 25% | 0.245 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.5 | -10.8 | 176.8 | 69 | 0 | 0 | 0 | 0 | 115.3 | H681 C682 A683 K716 | H681-S685 WeakPolarHBondContact O-CB 3.3Å; H681-S685 PolarHBondContact O-N 3.47Å; H681-S685 PolarHBondContact O-OG 3.49Å; C682-S685 PolarHBondContact O-N 3.35Å; C682-S685 PolarHBondContact O-OG 3.35Å; A683-S685 PolarHBondContact O-N 3.49Å; S685-K716 VanDerWaalsContact CA-O 3.26Å; S685-K716 WeakPolarHBondContact CA-O 3.21Å |
| 686 | C | 95.2 | Very high | 96.4 | Very high | 60 Ų | 60 | 24.4 Ų | 24.4 | 41% | 0.405 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 3.2 | 169.9 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | C682 A683 A684 D688 | C682-C686 PolarHBondContact O-N 2.99Å; A683-C686 PolarHBondContact O-N 3.39Å; A683-C686 VanDerWaalsContact O-N 3.13Å; A684-C686 PolarHBondContact O-N 3.1Å; A684-C686 VanDerWaalsContact O-N 3.11Å; C686-D688 HydrophobicContact CB-CB 4.42Å; C686-D688 PolarHBondContact O-N 3.45Å |
| 687 | N | 96.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 24.8 | -169.6 | -64.9 | -12.6 | 0 | 0 | 0 | 114.2 | A683 A684 R689 C717 D718 L721 F722 F724 C727 | A683-N687 PolarHBondContact O-N 3.21Å; A684-N687 WeakPolarHBondContact O-CA 3.29Å; A684-N687 PolarHBondContact O-N 2.93Å; A684-N687 PolarHBondContact O-OD1 3.13Å; N687-R689 PolarHBondContact O-N 3.25Å; N687-C717 WeakPolarHBondContact OD1-CA 3.4Å; N687-C717 WeakPolarHBondContact OD1-CB 3.36Å; N687-D718 PolarHBondContact ND2-O 3.48Å; N687-D718 PolarHBondContact OD1-N 3.42Å; N687-L721 WeakPolarHBondContact ND2-CB 3.49Å; N687-L721 PolarHBondContact ND2-O 3.41Å; N687-L721 VanDerWaalsContact ND2-O 3.12Å; N687-F722 WeakPolarHBondContact CB-O 3.26Å; N687-F722 PolarHBondContact ND2-O 3.31Å; N687-F724 VanDerWaalsContact ND2-CA 3.32Å; N687-F724 WeakPolarHBondContact ND2-CA 3.36Å; N687-F724 PolarHBondContact ND2-N 3.22Å; N687-C727 HydrophobicContact CB-CB 4.28Å |
| 688 | D | 96.2 | Very high | 96.4 | Very high | 38 Ų | 38 | 29 Ų | 29 | 20% | 0.203 | 14% | 0.138 | C | C | . | . | trans | -81.3 | 85.3 | -176.1 | -169.8 | -22.5 | 0 | 0 | 0 | 109.8 | H656 A683 C686 E690 M691 C692 | H656-D688 IonicContact CD2-OD2 2.83Å; H656-D688 IonicContact CE1-OD2 2.79Å; H656-D688 IonicContact NE2-OD1 2.76Å; H656-D688 IonicContact NE2-OD2 3.77Å; H656-D688 PolarHBondContact NE2-OD2 2.96Å; A683-D688 PolarHBondContact O-N 3.03Å; A683-D688 VanDerWaalsContact O-N 3.1Å; C686-D688 HydrophobicContact CB-CB 4.42Å; C686-D688 PolarHBondContact O-N 3.45Å; D688-E690 VanDerWaalsContact C-N 3.26Å; D688-E690 PolarHBondContact O-N 2.98Å; D688-E690 PolarHBondContact OD1-N 3.21Å; D688-M691 HydrophobicContact CB-CB 3.9Å; D688-M691 PolarHBondContact O-N 2.76Å; D688-M691 WeakPolarHBondContact OD1-CB 3.35Å; D688-M691 PolarHBondContact OD1-N 2.97Å; D688-M691 WeakPolarHBondContact OD2-CB 3.47Å; D688-C692 WeakPolarHBondContact O-CB 3.41Å; D688-C692 PolarHBondContact O-N 2.83Å; D688-C692 PolarHBondContact O-SG 3.26Å | ||
| 689 | R | 96.3 | Very high | 96.3 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 23% | 0.234 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.3 | -41.4 | 177.7 | 178.6 | -176.8 | 48.9 | 58 | 9.2 | 111.5 | N687 C692 E693 E726 C727 Y730 | N687-R689 PolarHBondContact O-N 3.25Å; R689-C692 WeakPolarHBondContact O-CB 3.34Å; R689-C692 PolarHBondContact O-N 2.8Å; R689-E693 IonicContact NH1-OE2 2.63Å; R689-E693 VanDerWaalsContact O-CB 3.28Å; R689-E693 WeakPolarHBondContact O-CB 3.36Å; R689-E693 PolarHBondContact O-N 2.95Å; R689-E726 IonicContact CZ-OE2 2.7Å; R689-E726 VanDerWaalsContact CZ-OE2 3.24Å; R689-E726 IonicContact NE-OE2 3.24Å; R689-E726 PolarHBondContact NE-OE2 3.25Å; R689-E726 IonicContact NH2-OE2 3.63Å; R689-E726 PolarHBondContact NH2-OE2 3.47Å; R689-C727 HydrophobicContact CB-CB 4.27Å; R689-Y730 HydrophobicContact CG-CG 4.19Å |
| 690 | E | 96.4 | Very high | 96.1 | Very high | 121 Ų | 121 | 29 Ų | 29 | 57% | 0.565 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -69.9 | -39.9 | -175.2 | -63 | -171.8 | 174.7 | 0 | 0 | 111.3 | D688 E693 Y694 | D688-E690 VanDerWaalsContact C-N 3.26Å; D688-E690 PolarHBondContact O-N 2.98Å; D688-E690 PolarHBondContact OD1-N 3.21Å; E690-E693 PolarHBondContact O-N 3.41Å; E690-Y694 WeakPolarHBondContact O-CB 3.28Å; E690-Y694 PolarHBondContact O-N 3.33Å |
| 691 | M | 97.2 | Very high | 96 | Very high | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.034 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 170.6 | -172.9 | 53 | 57.3 | 0 | 0 | 112 | I651 H656 T659 A683 D688 E693 Y694 L695 | I651-M691 HydrophobicContact CG1-CG 4.26Å; I651-M691 HydrophobicContact CG1-SD 4.26Å; I651-M691 HydrophobicContact CG2-CG 4.31Å; H656-M691 HydrophobicContact CB-CE 4.13Å; H656-M691 WeakPolarHBondContact CD2-CE 3.17Å; T659-M691 HydrophobicContact CG2-CE 3.89Å; T659-M691 HydrophobicContact CG2-SD 3.4Å; T659-M691 WeakPolarHBondContact CG2-SD 3.36Å; A683-M691 HydrophobicContact CB-CB 4.12Å; A683-M691 HydrophobicContact CB-CG 3.76Å; D688-M691 HydrophobicContact CB-CB 3.9Å; D688-M691 PolarHBondContact O-N 2.76Å; D688-M691 WeakPolarHBondContact OD1-CB 3.35Å; D688-M691 PolarHBondContact OD1-N 2.97Å; D688-M691 WeakPolarHBondContact OD2-CB 3.47Å; M691-E693 PolarHBondContact O-N 3.18Å; M691-Y694 PolarHBondContact O-N 3.47Å; M691-Y694 HydrophobicContact SD-CD1 4.27Å; M691-L695 HydrophobicContact CG-CD1 3.9Å; M691-L695 HydrophobicContact CG-CG 4.34Å; M691-L695 WeakPolarHBondContact O-CB 3.09Å; M691-L695 WeakPolarHBondContact O-CD1 3.49Å; M691-L695 WeakPolarHBondContact O-CG 3.46Å; M691-L695 PolarHBondContact O-N 3.41Å; M691-L695 HydrophobicContact SD-CD1 4.22Å; M691-L695 HydrophobicContact SD-CD2 4.48Å; M691-L695 HydrophobicContact SD-CG 4.08Å |
| 692 | C | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 173.8 | -70 | 0 | 0 | 0 | 0 | 111.7 | L680 A683 D688 R689 Y694 L695 V696 C727 Y730 L731 | L680-C692 HydrophobicContact CD1-CB 4.09Å; A683-C692 VanDerWaalsContact CB-SG 3.55Å; D688-C692 WeakPolarHBondContact O-CB 3.41Å; D688-C692 PolarHBondContact O-N 2.83Å; D688-C692 PolarHBondContact O-SG 3.26Å; R689-C692 WeakPolarHBondContact O-CB 3.34Å; R689-C692 PolarHBondContact O-N 2.8Å; C692-Y694 PolarHBondContact O-N 2.94Å; C692-L695 PolarHBondContact O-N 2.99Å; C692-V696 WeakPolarHBondContact O-CB 3.48Å; C692-V696 VanDerWaalsContact O-CG2 3.29Å; C692-V696 WeakPolarHBondContact O-CG2 3.36Å; C692-V696 PolarHBondContact O-N 2.69Å; C692-C727 VanDerWaalsContact SG-SG 3.7Å; C692-Y730 HydrophobicContact CB-CD1 4.43Å; C692-Y730 HydrophobicContact CB-CE1 4.44Å; C692-L731 HydrophobicContact CB-CD2 4.08Å; C692-L731 HydrophobicContact CB-CG 4.47Å |
| 693 | E | 96.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 178 | -170.2 | -176.1 | 151.5 | 0 | 0 | 111.9 | R689 E690 M691 R697 Y730 | R689-E693 IonicContact NH1-OE2 2.63Å; R689-E693 VanDerWaalsContact O-CB 3.28Å; R689-E693 WeakPolarHBondContact O-CB 3.36Å; R689-E693 PolarHBondContact O-N 2.95Å; E690-E693 PolarHBondContact O-N 3.41Å; M691-E693 PolarHBondContact O-N 3.18Å; E693-R697 WeakPolarHBondContact O-CG 3.47Å; E693-R697 PolarHBondContact O-N 2.94Å; E693-R697 VanDerWaalsContact O-N 3.11Å; E693-R697 IonicContact OE1-CZ 3.07Å; E693-R697 IonicContact OE1-NH1 3.81Å; E693-R697 PolarHBondContact OE1-NH1 3.47Å; E693-R697 IonicContact OE1-NH2 2.69Å; E693-R697 PolarHBondContact OE1-NH2 3Å; E693-Y730 WeakPolarHBondContact CA-OH 3.32Å; E693-Y730 HydrophobicContact CB-CE1 4.19Å; E693-Y730 HydrophobicContact CB-CE2 4.22Å; E693-Y730 HydrophobicContact CG-CE2 3.95Å |
| 694 | Y | 96.9 | Very high | 95.2 | Very high | 54 Ų | 54 | 30.5 Ų | 30.5 | 21% | 0.212 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 172 | -178.9 | -90.1 | 0 | 0 | 0 | 112 | T659 D660 V663 E690 M691 C692 R697 N698 | T659-Y694 HydrophobicContact CG2-CE1 4.41Å; D660-Y694 VanDerWaalsContact CA-OH 3.29Å; D660-Y694 WeakPolarHBondContact CA-OH 3.49Å; D660-Y694 HydrophobicContact CB-CE2 4.4Å; D660-Y694 PolarHBondContact OD1-OH 2.93Å; V663-Y694 HydrophobicContact CB-CE1 4.05Å; V663-Y694 HydrophobicContact CG1-CE1 4.01Å; V663-Y694 HydrophobicContact CG2-CE1 4.1Å; E690-Y694 WeakPolarHBondContact O-CB 3.28Å; E690-Y694 PolarHBondContact O-N 3.33Å; M691-Y694 PolarHBondContact O-N 3.47Å; M691-Y694 HydrophobicContact SD-CD1 4.27Å; C692-Y694 PolarHBondContact O-N 2.94Å; Y694-R697 PolarHBondContact O-N 3.25Å; Y694-N698 WeakPolarHBondContact CE1-ND2 3.37Å; Y694-N698 PolarHBondContact O-N 3.3Å; Y694-N698 PolarHBondContact O-ND2 3.27Å |
| 695 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | -178.8 | -68.2 | 166.1 | 0 | 0 | 0 | 111.4 | I651 T659 V669 P679 L680 A683 M691 C692 R697 N698 G699 A700 | I651-L695 HydrophobicContact CD1-CD1 3.84Å; I651-L695 HydrophobicContact CD1-CD2 4.06Å; T659-L695 HydrophobicContact CG2-CD2 4.5Å; V669-L695 HydrophobicContact CG1-CB 4.21Å; V669-L695 HydrophobicContact CG1-CD2 3.67Å; P679-L695 HydrophobicContact CB-CD1 4.41Å; P679-L695 HydrophobicContact CB-CD2 4.26Å; L680-L695 HydrophobicContact CD1-CB 4.04Å; L680-L695 HydrophobicContact CD1-CD1 4.37Å; A683-L695 HydrophobicContact CB-CD1 3.73Å; M691-L695 HydrophobicContact CG-CD1 3.9Å; M691-L695 HydrophobicContact CG-CG 4.34Å; M691-L695 WeakPolarHBondContact O-CB 3.09Å; M691-L695 WeakPolarHBondContact O-CD1 3.49Å; M691-L695 WeakPolarHBondContact O-CG 3.46Å; M691-L695 PolarHBondContact O-N 3.41Å; M691-L695 HydrophobicContact SD-CD1 4.22Å; M691-L695 HydrophobicContact SD-CD2 4.48Å; M691-L695 HydrophobicContact SD-CG 4.08Å; C692-L695 PolarHBondContact O-N 2.99Å; L695-R697 PolarHBondContact O-N 2.98Å; L695-N698 CarbonylContact O-C 3.55Å; L695-N698 PolarHBondContact O-N 3.01Å; L695-N698 VanDerWaalsContact O-N 3.11Å; L695-G699 PolarHBondContact O-N 3.11Å; L695-A700 HydrophobicContact CB-CB 4.07Å; L695-A700 VanDerWaalsContact O-CB 3.25Å; L695-A700 WeakPolarHBondContact O-CB 3.28Å; L695-A700 PolarHBondContact O-N 3.44Å |
| 696 | V | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 175 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L680 C692 N698 G699 V702 Y730 L798 F799 | L680-V696 HydrophobicContact CD1-CG2 4.04Å; L680-V696 HydrophobicContact CD2-CG2 4.34Å; C692-V696 WeakPolarHBondContact O-CB 3.48Å; C692-V696 VanDerWaalsContact O-CG2 3.29Å; C692-V696 WeakPolarHBondContact O-CG2 3.36Å; C692-V696 PolarHBondContact O-N 2.69Å; V696-N698 PolarHBondContact O-N 3.39Å; V696-G699 PolarHBondContact O-N 2.71Å; V696-V702 HydrophobicContact CG1-CG2 4.48Å; V696-V702 HydrophobicContact CG2-CG2 4.19Å; V696-Y730 HydrophobicContact CG2-CE1 4.42Å; V696-L798 HydrophobicContact CG1-CD1 4.05Å; V696-F799 HydrophobicContact CG1-CD2 4.23Å; V696-F799 HydrophobicContact CG1-CE2 4.32Å; V696-F799 WeakPolarHBondContact O-CD2 3.3Å |
| 697 | R | 94.4 | Very high | 94.3 | Very high | 140 Ų | 140 | 32.5 Ų | 32.5 | 53% | 0.528 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -58.8 | -26.1 | 175.6 | -79.2 | -177.2 | 177.2 | 119.2 | 11 | 114.3 | E693 Y694 L695 F799 | E693-R697 WeakPolarHBondContact O-CG 3.47Å; E693-R697 PolarHBondContact O-N 2.94Å; E693-R697 VanDerWaalsContact O-N 3.11Å; E693-R697 IonicContact OE1-CZ 3.07Å; E693-R697 IonicContact OE1-NH1 3.81Å; E693-R697 PolarHBondContact OE1-NH1 3.47Å; E693-R697 IonicContact OE1-NH2 2.69Å; E693-R697 PolarHBondContact OE1-NH2 3Å; Y694-R697 PolarHBondContact O-N 3.25Å; L695-R697 PolarHBondContact O-N 2.98Å; R697-F799 HydrophobicContact CG-CE2 4.39Å; R697-F799 WeakPolarHBondContact O-CB 3.46Å |
| 698 | N | 94.8 | Very high | 93.7 | Very high | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 11.9 | -177.3 | -73.2 | -75.4 | 0 | 0 | 0 | 113.9 | V663 V669 Y694 L695 V696 V802 | V663-N698 HydrophobicContact CG1-CB 3.62Å; V669-N698 HydrophobicContact CG2-CB 4.39Å; Y694-N698 WeakPolarHBondContact CE1-ND2 3.37Å; Y694-N698 PolarHBondContact O-N 3.3Å; Y694-N698 PolarHBondContact O-ND2 3.27Å; L695-N698 CarbonylContact O-C 3.55Å; L695-N698 PolarHBondContact O-N 3.01Å; L695-N698 VanDerWaalsContact O-N 3.11Å; V696-N698 PolarHBondContact O-N 3.39Å; N698-V802 HydrophobicContact CB-CG2 3.78Å; N698-V802 PolarHBondContact O-N 3Å; N698-V802 WeakPolarHBondContact OD1-CG2 3.42Å |
| 699 | G | 92.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | S670 L695 V696 F799 | S670-G699 PolarHBondContact OG-O 3.43Å; L695-G699 PolarHBondContact O-N 3.11Å; V696-G699 PolarHBondContact O-N 2.71Å; G699-F799 WeakPolarHBondContact CA-O 3.37Å |
| 700 | A | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | trans | -68.6 | 136.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V669 S670 L680 L695 V702 | V669-A700 HydrophobicContact CG1-CB 3.93Å; S670-A700 WeakPolarHBondContact OG-CA 3.45Å; L680-A700 HydrophobicContact CB-CB 4.29Å; L680-A700 HydrophobicContact CD1-CB 4.44Å; L680-A700 HydrophobicContact CD2-CB 4.14Å; L695-A700 HydrophobicContact CB-CB 4.07Å; L695-A700 VanDerWaalsContact O-CB 3.25Å; L695-A700 WeakPolarHBondContact O-CB 3.28Å; L695-A700 PolarHBondContact O-N 3.44Å; A700-V702 PolarHBondContact O-N 2.63Å | ||
| 701 | A | 93.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | trans | -74 | 109.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | M360 S670 A704 L749 W750 | M360-A701 HydrophobicContact CE-CB 3.55Å; S670-A701 PolarHBondContact OG-N 3.31Å; A701-A704 HydrophobicContact CB-CB 4.22Å; A701-A704 WeakPolarHBondContact O-CB 3.17Å; A701-L749 VanDerWaalsContact CA-CD1 3.46Å; A701-L749 HydrophobicContact CB-CD1 3.59Å; A701-W750 HydrophobicContact CB-CH2 3.77Å; A701-W750 HydrophobicContact CB-CZ3 3.86Å | ||
| 702 | V | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -46.2 | -178.5 | -165.1 | 0 | 0 | 0 | 0 | 110.4 | V696 A700 A704 K734 E735 M738 L798 | V696-V702 HydrophobicContact CG1-CG2 4.48Å; V696-V702 HydrophobicContact CG2-CG2 4.19Å; A700-V702 PolarHBondContact O-N 2.63Å; V702-A704 PolarHBondContact O-N 2.76Å; V702-K734 HydrophobicContact CG1-CB 4.16Å; V702-E735 HydrophobicContact CG1-CG 3.66Å; V702-M738 HydrophobicContact CB-SD 3.71Å; V702-M738 HydrophobicContact CG2-SD 3.82Å; V702-L798 HydrophobicContact CG2-CD1 4.48Å |
| 703 | M | 90.7 | Very high | 92.4 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 20% | 0.202 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 33.1 | 176.1 | -58.6 | -157.3 | 75.3 | 0 | 0 | 113.3 | M738 W780 N793 N794 | M703-M738 HydrophobicContact CG-CE 4.34Å; M703-M738 HydrophobicContact CG-SD 4.14Å; M703-W780 HydrophobicContact SD-CH2 3.46Å; M703-W780 WeakPolarHBondContact SD-CH2 3.42Å; M703-W780 HydrophobicContact SD-CZ2 3.46Å; M703-W780 WeakPolarHBondContact SD-CZ2 3.44Å; M703-N793 WeakPolarHBondContact CE-ND2 3.44Å; M703-N793 HydrophobicContact SD-CB 3.93Å; M703-N794 WeakPolarHBondContact O-CB 3.46Å |
| 704 | A | 91 | Very high | 92.3 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | trans | -72.5 | 144.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | M360 T678 H681 A701 V702 T712 | M360-A704 HydrophobicContact CE-CB 3.43Å; M360-A704 VanDerWaalsContact CE-CB 3.43Å; M360-A704 HydrophobicContact SD-CB 4.09Å; T678-A704 HydrophobicContact CG2-CB 4.08Å; H681-A704 PolarHBondContact NE2-O 3.11Å; A701-A704 HydrophobicContact CB-CB 4.22Å; A701-A704 WeakPolarHBondContact O-CB 3.17Å; V702-A704 PolarHBondContact O-N 2.76Å; A704-T712 WeakPolarHBondContact O-CA 3.37Å | ||
| 705 | F | 91.3 | Very high | 92.2 | Very high | 55 Ų | 55 | 40 Ų | 40 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | trans | -128.1 | 145 | 178.6 | 62.1 | -104.3 | 0 | 0 | 0 | 112.4 | L358 A711 N794 | L358-F705 WeakPolarHBondContact O-CZ 3.37Å; F705-A711 WeakPolarHBondContact CA-O 3.38Å; F705-N794 WeakPolarHBondContact CE1-ND2 3.41Å | ||
| 706 | T | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -77.6 | 138.1 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | W677 R708 D709 G710 A711 | W677-T706 HydrophobicContact CD2-CG2 4.42Å; W677-T706 HydrophobicContact CG-CG2 4.01Å; T706-R708 VanDerWaalsContact C-N 3.3Å; T706-R708 PolarHBondContact O-N 2.74Å; T706-D709 VanDerWaalsContact CB-OD1 3.29Å; T706-D709 WeakPolarHBondContact CB-OD1 3.46Å; T706-D709 PolarHBondContact OG1-OD1 2.8Å; T706-G710 WeakPolarHBondContact O-CA 3.17Å; T706-G710 PolarHBondContact O-N 2.79Å; T706-A711 PolarHBondContact N-O 3.34Å; T706-A711 PolarHBondContact OG1-N 3.43Å; T706-A711 PolarHBondContact OG1-O 2.88Å | ||
| 707 | H | 86.9 | Confident | 92.3 | Very high | 81 Ų | 81 | 42 Ų | 42 | 38% | 0.375 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.9 | -174.7 | -67.6 | 133.7 | 0 | 0 | 0 | 115 | N359 H675 G676 | N359-H707 PolarHBondContact ND2-CD2 2.79Å; N359-H707 PolarHBondContact ND2-NE2 2.98Å; H675-H707 WeakPolarHBondContact O-CB 3.4Å; H675-H707 PolarHBondContact O-N 2.88Å; G676-H707 VanDerWaalsContact CA-ND1 3.35Å; G676-H707 WeakPolarHBondContact CA-ND1 3.27Å; G676-H707 PolarHBondContact N-ND1 2.89Å |
| 708 | R | 83.9 | Confident | 92.3 | Very high | 188 Ų | 188 | 37.9 Ų | 37.9 | 71% | 0.709 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -30.5 | -176.5 | -70.7 | -169.7 | 178.2 | -154.3 | 5.9 | 113.4 | H675 T706 | H675-R708 PolarHBondContact CD2-NE 3.41Å; H675-R708 PolarHBondContact CD2-NH2 3.23Å; H675-R708 PolarHBondContact NE2-NH2 3.31Å; T706-R708 VanDerWaalsContact C-N 3.3Å; T706-R708 PolarHBondContact O-N 2.74Å |
| 709 | D | 87.7 | Confident | 92.3 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 49% | 0.492 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -147.8 | -3 | -157.5 | 44.9 | -14.7 | 0 | 0 | 0 | 113.3 | T706 A711 K716 | T706-D709 VanDerWaalsContact CB-OD1 3.29Å; T706-D709 WeakPolarHBondContact CB-OD1 3.46Å; T706-D709 PolarHBondContact OG1-OD1 2.8Å; D709-A711 PolarHBondContact O-N 2.77Å; D709-K716 IonicContact OD1-NZ 2.64Å; D709-K716 IonicContact OD2-NZ 3.25Å; D709-K716 PolarHBondContact OD2-NZ 2.75Å |
| 710 | G | 88.5 | Confident | 92.4 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | trans | 69.8 | 10.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | T706 | T706-G710 WeakPolarHBondContact O-CA 3.17Å; T706-G710 PolarHBondContact O-N 2.79Å | ||
| 711 | A | 91.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | trans | -83.4 | 141.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H681 F705 T706 D709 Q715 K716 | H681-A711 PolarHBondContact NE2-O 2.99Å; F705-A711 WeakPolarHBondContact CA-O 3.38Å; T706-A711 PolarHBondContact N-O 3.34Å; T706-A711 PolarHBondContact OG1-N 3.43Å; T706-A711 PolarHBondContact OG1-O 2.88Å; D709-A711 PolarHBondContact O-N 2.77Å; A711-Q715 VanDerWaalsContact CA-OE1 3.32Å; A711-Q715 HydrophobicContact CB-CB 4.03Å; A711-K716 HydrophobicContact CB-CD 4.49Å | ||
| 712 | T | 93.3 | Very high | 92.3 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 13% | 0.129 | 31% | 0.31 | C | S | . | . | trans | -85.9 | 178.5 | 173.9 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | A704 S714 Q715 E735 | A704-T712 WeakPolarHBondContact O-CA 3.37Å; T712-S714 PolarHBondContact O-N 3.12Å; T712-S714 PolarHBondContact OG1-OG 3.02Å; T712-Q715 PolarHBondContact O-N 3.27Å; T712-E735 WeakPolarHBondContact CB-OE1 3.12Å; T712-E735 PolarHBondContact OG1-OE1 3.19Å | ||
| 713 | A | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -61.3 | -41.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L680 H681 A684 Q715 K716 L731 | L680-A713 HydrophobicContact CB-CB 4.44Å; L680-A713 HydrophobicContact CD2-CB 3.87Å; L680-A713 HydrophobicContact CG-CB 3.78Å; H681-A713 PolarHBondContact NE2-N 3.04Å; A684-A713 HydrophobicContact CB-CB 4.4Å; A684-A713 WeakPolarHBondContact CB-O 3.29Å; A713-Q715 PolarHBondContact O-N 3.41Å; A713-K716 PolarHBondContact O-N 3.24Å; A713-L731 HydrophobicContact CB-CD1 4.26Å |
| 714 | S | 95.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -58.1 | -37.1 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | T712 K716 C717 E735 | T712-S714 PolarHBondContact O-N 3.12Å; T712-S714 PolarHBondContact OG1-OG 3.02Å; S714-K716 PolarHBondContact O-N 3.23Å; S714-C717 PolarHBondContact O-N 2.64Å; S714-E735 VanDerWaalsContact CB-OE2 3.28Å; S714-E735 WeakPolarHBondContact CB-OE2 3.37Å; S714-E735 PolarHBondContact OG-OE1 2.86Å; S714-E735 VanDerWaalsContact OG-OE1 3.06Å; S714-E735 PolarHBondContact OG-OE2 3.1Å |
| 715 | Q | 95.2 | Very high | 92.9 | Very high | 128 Ų | 128 | 72.6 Ų | 72.6 | 60% | 0.598 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -77.7 | 4.8 | 178.2 | -58 | 178.2 | 5.2 | 0 | 0 | 114 | A711 T712 A713 | A711-Q715 VanDerWaalsContact CA-OE1 3.32Å; A711-Q715 HydrophobicContact CB-CB 4.03Å; T712-Q715 PolarHBondContact O-N 3.27Å; A713-Q715 PolarHBondContact O-N 3.41Å |
| 716 | K | 95.8 | Very high | 93.1 | Very high | 30 Ų | 30 | 74.4 Ų | 74.4 | 13% | 0.13 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -104.9 | -5.3 | 172.9 | -65.2 | -48.7 | -175.5 | -161.9 | 0 | 114.7 | W677 H681 A684 S685 D709 A711 A713 S714 | W677-K716 HydrophobicContact CH2-CD 4.04Å; W677-K716 HydrophobicContact CH2-CG 4.26Å; W677-K716 HydrophobicContact CZ2-CD 3.95Å; W677-K716 HydrophobicContact CZ2-CG 4.47Å; H681-K716 HydrophobicContact CB-CG 4.38Å; A684-K716 HydrophobicContact CB-CB 4.27Å; S685-K716 VanDerWaalsContact CA-O 3.26Å; S685-K716 WeakPolarHBondContact CA-O 3.21Å; D709-K716 IonicContact OD1-NZ 2.64Å; D709-K716 IonicContact OD2-NZ 3.25Å; D709-K716 PolarHBondContact OD2-NZ 2.75Å; A711-K716 HydrophobicContact CB-CD 4.49Å; A713-K716 PolarHBondContact O-N 3.24Å; S714-K716 PolarHBondContact O-N 3.23Å |
| 717 | C | 96.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 74.4 Ų | 74.4 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | trans | -58.6 | 137.6 | 171.2 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | A684 N687 S714 P719 F724 E728 | A684-C717 WeakPolarHBondContact O-CA 3.37Å; N687-C717 WeakPolarHBondContact OD1-CA 3.4Å; N687-C717 WeakPolarHBondContact OD1-CB 3.36Å; S714-C717 PolarHBondContact O-N 2.64Å; C717-P719 WeakPolarHBondContact O-CD 3.49Å; C717-F724 HydrophobicContact CB-CD2 3.57Å; C717-F724 HydrophobicContact CB-CE2 3.62Å; C717-E728 HydrophobicContact CB-CB 3.95Å; C717-E728 HydrophobicContact CB-CG 4.26Å | ||
| 718 | D | 95.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 72.7 Ų | 72.7 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | trans | -92.3 | 113.2 | -178.1 | -172.7 | -25.3 | 0 | 0 | 0 | 110.2 | N687 Y720 L721 F724 | N687-D718 PolarHBondContact ND2-O 3.48Å; N687-D718 PolarHBondContact OD1-N 3.42Å; D718-Y720 PolarHBondContact O-N 3.11Å; D718-Y720 VanDerWaalsContact O-N 3.1Å; D718-Y720 WeakPolarHBondContact OD1-CB 3.46Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.4Å; D718-Y720 PolarHBondContact OD1-N 3.28Å; D718-L721 HydrophobicContact CB-CB 4.23Å; D718-L721 HydrophobicContact CB-CD1 3.96Å; D718-L721 HydrophobicContact CB-CG 4.01Å; D718-L721 PolarHBondContact O-N 2.84Å; D718-F724 VanDerWaalsContact C-CD2 3.44Å; D718-F724 WeakPolarHBondContact O-CD2 3.32Å | ||
| 719 | P | 95.3 | Very high | 94.4 | Very high | 80 Ų | 80 | 66.9 Ų | 66.9 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -4.9 | -178 | 30.8 | -36.8 | 0 | 0 | 0 | 114.3 | C717 F724 | C717-P719 WeakPolarHBondContact O-CD 3.49Å; P719-F724 VanDerWaalsContact CA-CD2 3.49Å; P719-F724 HydrophobicContact CB-CD1 4.42Å; P719-F724 HydrophobicContact CB-CD2 4.12Å; P719-F724 HydrophobicContact CB-CE1 4.32Å; P719-F724 HydrophobicContact CB-CE2 3.99Å; P719-F724 HydrophobicContact CB-CG 4.34Å; P719-F724 HydrophobicContact CB-CZ 4.11Å |
| 720 | Y | 94.1 | Very high | 94.9 | Very high | 211 Ų | 211 | 64.6 Ų | 64.6 | 83% | 0.827 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -4.9 | 176.8 | -53.8 | -68.6 | 0 | 0 | 0 | 113.5 | D718 | D718-Y720 PolarHBondContact O-N 3.11Å; D718-Y720 VanDerWaalsContact O-N 3.1Å; D718-Y720 WeakPolarHBondContact OD1-CB 3.46Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.4Å; D718-Y720 PolarHBondContact OD1-N 3.28Å |
| 721 | L | 93.4 | Very high | 95.3 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -101.6 | 154.9 | 174.4 | -64.9 | -179.5 | 0 | 0 | 0 | 111.4 | N687 D718 | N687-L721 WeakPolarHBondContact ND2-CB 3.49Å; N687-L721 PolarHBondContact ND2-O 3.41Å; N687-L721 VanDerWaalsContact ND2-O 3.12Å; D718-L721 HydrophobicContact CB-CB 4.23Å; D718-L721 HydrophobicContact CB-CD1 3.96Å; D718-L721 HydrophobicContact CB-CG 4.01Å; D718-L721 PolarHBondContact O-N 2.84Å |
| 722 | F | 93.3 | Very high | 95.5 | Very high | 193 Ų | 193 | 66.3 Ų | 66.3 | 85% | 0.846 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 156.5 | 173.5 | -176.8 | -98.7 | 0 | 0 | 0 | 111.2 | N687 F724 | N687-F722 WeakPolarHBondContact CB-O 3.26Å; N687-F722 PolarHBondContact ND2-O 3.31Å; F722-F724 PolarHBondContact O-N 3.44Å |
| 723 | G | 93.3 | Very high | 95.5 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 1.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | E725 E726 C727 | G723-E725 PolarHBondContact O-N 3.24Å; G723-E726 PolarHBondContact O-N 2.86Å; G723-C727 WeakPolarHBondContact O-CB 3.35Å; G723-C727 PolarHBondContact O-N 3.12Å |
| 724 | F | 96.3 | Very high | 95.5 | Very high | 54 Ų | 54 | 69.6 Ų | 69.6 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -50.3 | -57.4 | -178.6 | 172.6 | -103.4 | 0 | 0 | 0 | 112.6 | N687 C717 D718 P719 F722 E726 C727 E728 | N687-F724 VanDerWaalsContact ND2-CA 3.32Å; N687-F724 WeakPolarHBondContact ND2-CA 3.36Å; N687-F724 PolarHBondContact ND2-N 3.22Å; C717-F724 HydrophobicContact CB-CD2 3.57Å; C717-F724 HydrophobicContact CB-CE2 3.62Å; D718-F724 VanDerWaalsContact C-CD2 3.44Å; D718-F724 WeakPolarHBondContact O-CD2 3.32Å; P719-F724 VanDerWaalsContact CA-CD2 3.49Å; P719-F724 HydrophobicContact CB-CD1 4.42Å; P719-F724 HydrophobicContact CB-CD2 4.12Å; P719-F724 HydrophobicContact CB-CE1 4.32Å; P719-F724 HydrophobicContact CB-CE2 3.99Å; P719-F724 HydrophobicContact CB-CG 4.34Å; P719-F724 HydrophobicContact CB-CZ 4.11Å; F722-F724 PolarHBondContact O-N 3.44Å; F724-E726 PolarHBondContact O-N 2.85Å; F724-C727 PolarHBondContact O-N 3.26Å; F724-E728 HydrophobicContact CD2-CB 4.46Å; F724-E728 HydrophobicContact CE2-CB 4.15Å; F724-E728 HydrophobicContact CE2-CG 4.13Å; F724-E728 HydrophobicContact CZ-CB 4.19Å; F724-E728 HydrophobicContact CZ-CG 3.99Å; F724-E728 WeakPolarHBondContact CZ-OE1 3.21Å; F724-E728 WeakPolarHBondContact O-CB 3.44Å; F724-E728 PolarHBondContact O-N 3.27Å |
| 725 | E | 96.3 | Very high | 95.4 | Very high | 159 Ų | 159 | 70.7 Ų | 70.7 | 74% | 0.743 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | -175.7 | -174.4 | 173.6 | -171.5 | 0 | 0 | 111.9 | G723 S729 | G723-E725 PolarHBondContact O-N 3.24Å; E725-S729 WeakPolarHBondContact O-CB 3.02Å; E725-S729 PolarHBondContact O-N 3.45Å |
| 726 | E | 96.1 | Very high | 95.1 | Very high | 93 Ų | 93 | 70.5 Ų | 70.5 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 174.8 | -77.4 | -172.3 | -130.4 | 0 | 0 | 112.5 | R689 G723 F724 Y730 | R689-E726 IonicContact CZ-OE2 2.7Å; R689-E726 VanDerWaalsContact CZ-OE2 3.24Å; R689-E726 IonicContact NE-OE2 3.24Å; R689-E726 PolarHBondContact NE-OE2 3.25Å; R689-E726 IonicContact NH2-OE2 3.63Å; R689-E726 PolarHBondContact NH2-OE2 3.47Å; G723-E726 PolarHBondContact O-N 2.86Å; F724-E726 PolarHBondContact O-N 2.85Å; E726-Y730 WeakPolarHBondContact O-CB 3.07Å; E726-Y730 PolarHBondContact O-N 3.07Å |
| 727 | C | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.3 | -45.5 | -175.3 | -167.2 | 0 | 0 | 0 | 0 | 111.9 | N687 R689 C692 G723 F724 Y730 L731 | N687-C727 HydrophobicContact CB-CB 4.28Å; R689-C727 HydrophobicContact CB-CB 4.27Å; C692-C727 VanDerWaalsContact SG-SG 3.7Å; G723-C727 WeakPolarHBondContact O-CB 3.35Å; G723-C727 PolarHBondContact O-N 3.12Å; F724-C727 PolarHBondContact O-N 3.26Å; C727-Y730 PolarHBondContact O-N 2.99Å; C727-L731 WeakPolarHBondContact O-CB 3.34Å; C727-L731 WeakPolarHBondContact O-CG 3.39Å; C727-L731 PolarHBondContact O-N 3.03Å |
| 728 | E | 97 | Very high | 94.5 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 179.7 | -163.9 | -134.8 | -151.6 | 0 | 0 | 111.5 | C717 F724 L731 R732 | C717-E728 HydrophobicContact CB-CB 3.95Å; C717-E728 HydrophobicContact CB-CG 4.26Å; F724-E728 HydrophobicContact CD2-CB 4.46Å; F724-E728 HydrophobicContact CE2-CB 4.15Å; F724-E728 HydrophobicContact CE2-CG 4.13Å; F724-E728 HydrophobicContact CZ-CB 4.19Å; F724-E728 HydrophobicContact CZ-CG 3.99Å; F724-E728 WeakPolarHBondContact CZ-OE1 3.21Å; F724-E728 WeakPolarHBondContact O-CB 3.44Å; F724-E728 PolarHBondContact O-N 3.27Å; E728-L731 PolarHBondContact O-N 3.42Å; E728-R732 VanDerWaalsContact O-CB 3.28Å; E728-R732 WeakPolarHBondContact O-CB 3.48Å; E728-R732 PolarHBondContact O-N 2.89Å; E728-R732 IonicContact OE1-CZ 3.81Å; E728-R732 IonicContact OE1-NH1 3.98Å; E728-R732 IonicContact OE1-NH2 3.83Å; E728-R732 PolarHBondContact OE1-NH2 3.41Å; E728-R732 IonicContact OE2-CZ 3.52Å; E728-R732 VanDerWaalsContact OE2-CZ 3.25Å; E728-R732 IonicContact OE2-NH1 3.85Å; E728-R732 PolarHBondContact OE2-NH1 3.45Å; E728-R732 IonicContact OE2-NH2 2.76Å; E728-R732 PolarHBondContact OE2-NH2 3.27Å |
| 729 | S | 96.9 | Very high | 94 | Very high | 66 Ų | 66 | 67 Ų | 67 | 46% | 0.462 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | E725 A733 | E725-S729 WeakPolarHBondContact O-CB 3.02Å; E725-S729 PolarHBondContact O-N 3.45Å; S729-A733 VanDerWaalsContact O-CB 3.26Å; S729-A733 WeakPolarHBondContact O-CB 3.34Å; S729-A733 PolarHBondContact O-N 2.99Å |
| 730 | Y | 97.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 67.8 Ų | 67.8 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58 | -50.2 | 174.5 | 174 | -92.5 | 0 | 0 | 0 | 112 | R689 C692 E693 V696 E726 C727 A733 K734 | R689-Y730 HydrophobicContact CG-CG 4.19Å; C692-Y730 HydrophobicContact CB-CD1 4.43Å; C692-Y730 HydrophobicContact CB-CE1 4.44Å; E693-Y730 WeakPolarHBondContact CA-OH 3.32Å; E693-Y730 HydrophobicContact CB-CE1 4.19Å; E693-Y730 HydrophobicContact CB-CE2 4.22Å; E693-Y730 HydrophobicContact CG-CE2 3.95Å; V696-Y730 HydrophobicContact CG2-CE1 4.42Å; E726-Y730 WeakPolarHBondContact O-CB 3.07Å; E726-Y730 PolarHBondContact O-N 3.07Å; C727-Y730 PolarHBondContact O-N 2.99Å; Y730-A733 PolarHBondContact O-N 3.2Å; Y730-K734 HydrophobicContact CD1-CG 4.47Å; Y730-K734 HydrophobicContact CE1-CG 3.91Å; Y730-K734 HydrophobicContact CE2-CG 4.2Å; Y730-K734 WeakPolarHBondContact O-CG 3.49Å; Y730-K734 PolarHBondContact O-N 2.94Å |
| 731 | L | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | -177.8 | -72.4 | 171.5 | 0 | 0 | 0 | 111.7 | L680 A684 C692 A713 C727 E728 A733 K734 E735 | L680-L731 HydrophobicContact CD1-CD2 4.08Å; L680-L731 HydrophobicContact CD2-CD2 4.33Å; L680-L731 HydrophobicContact CG-CD2 4.33Å; A684-L731 HydrophobicContact CB-CD1 3.6Å; C692-L731 HydrophobicContact CB-CD2 4.08Å; C692-L731 HydrophobicContact CB-CG 4.47Å; A713-L731 HydrophobicContact CB-CD1 4.26Å; C727-L731 WeakPolarHBondContact O-CB 3.34Å; C727-L731 WeakPolarHBondContact O-CG 3.39Å; C727-L731 PolarHBondContact O-N 3.03Å; E728-L731 PolarHBondContact O-N 3.42Å; L731-A733 PolarHBondContact O-N 2.91Å; L731-K734 CarbonylContact O-C 3.53Å; L731-K734 WeakPolarHBondContact O-CA 3.44Å; L731-K734 WeakPolarHBondContact O-CB 3.33Å; L731-K734 PolarHBondContact O-N 3.14Å; L731-E735 WeakPolarHBondContact O-CG 3.35Å; L731-E735 PolarHBondContact O-N 3.01Å |
| 732 | R | 95.6 | Very high | 92.8 | Very high | 93 Ų | 93 | 61.7 Ų | 61.7 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 174 | -178.9 | -176 | -66 | 109.1 | -1.7 | 111.5 | E728 K734 E735 E736 | E728-R732 VanDerWaalsContact O-CB 3.28Å; E728-R732 WeakPolarHBondContact O-CB 3.48Å; E728-R732 PolarHBondContact O-N 2.89Å; E728-R732 IonicContact OE1-CZ 3.81Å; E728-R732 IonicContact OE1-NH1 3.98Å; E728-R732 IonicContact OE1-NH2 3.83Å; E728-R732 PolarHBondContact OE1-NH2 3.41Å; E728-R732 IonicContact OE2-CZ 3.52Å; E728-R732 VanDerWaalsContact OE2-CZ 3.25Å; E728-R732 IonicContact OE2-NH1 3.85Å; E728-R732 PolarHBondContact OE2-NH1 3.45Å; E728-R732 IonicContact OE2-NH2 2.76Å; E728-R732 PolarHBondContact OE2-NH2 3.27Å; R732-K734 PolarHBondContact O-N 2.95Å; R732-E735 WeakPolarHBondContact O-CB 3.44Å; R732-E735 PolarHBondContact O-N 2.81Å; R732-E736 WeakPolarHBondContact CG-OE1 3.29Å; R732-E736 WeakPolarHBondContact O-CG 3.15Å; R732-E736 PolarHBondContact O-N 2.73Å |
| 733 | A | 94.8 | Very high | 92.5 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.7 | -29.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S729 Y730 L731 S737 | S729-A733 VanDerWaalsContact O-CB 3.26Å; S729-A733 WeakPolarHBondContact O-CB 3.34Å; S729-A733 PolarHBondContact O-N 2.99Å; Y730-A733 PolarHBondContact O-N 3.2Å; L731-A733 PolarHBondContact O-N 2.91Å; A733-S737 VanDerWaalsContact O-CB 3.3Å; A733-S737 WeakPolarHBondContact O-CB 2.95Å; A733-S737 PolarHBondContact O-N 3.34Å; A733-S737 PolarHBondContact O-OG 3.21Å |
| 734 | K | 94.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 59.1 Ų | 59.1 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -77.3 | -31.5 | 173 | -67.4 | -60 | 119.2 | -146.6 | 0 | 113.7 | V702 Y730 L731 R732 S737 M738 D741 L798 | V702-K734 HydrophobicContact CG1-CB 4.16Å; Y730-K734 HydrophobicContact CD1-CG 4.47Å; Y730-K734 HydrophobicContact CE1-CG 3.91Å; Y730-K734 HydrophobicContact CE2-CG 4.2Å; Y730-K734 WeakPolarHBondContact O-CG 3.49Å; Y730-K734 PolarHBondContact O-N 2.94Å; L731-K734 CarbonylContact O-C 3.53Å; L731-K734 WeakPolarHBondContact O-CA 3.44Å; L731-K734 WeakPolarHBondContact O-CB 3.33Å; L731-K734 PolarHBondContact O-N 3.14Å; R732-K734 PolarHBondContact O-N 2.95Å; K734-S737 WeakPolarHBondContact CA-OG 3.43Å; K734-S737 PolarHBondContact NZ-OG 3.38Å; K734-S737 VanDerWaalsContact NZ-OG 3.14Å; K734-M738 WeakPolarHBondContact O-CG 3.35Å; K734-M738 PolarHBondContact O-N 2.84Å; K734-D741 IonicContact NZ-OD2 2.69Å; K734-L798 HydrophobicContact CB-CD1 4.05Å; K734-L798 HydrophobicContact CD-CD1 3.47Å; K734-L798 VanDerWaalsContact CD-CD1 3.47Å; K734-L798 HydrophobicContact CG-CD1 4.2Å |
| 735 | E | 92.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 13% | 0.131 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 171.2 | -66.8 | 168.9 | 150.3 | 0 | 0 | 111.8 | V702 T712 S714 L731 R732 K773 | V702-E735 HydrophobicContact CG1-CG 3.66Å; T712-E735 WeakPolarHBondContact CB-OE1 3.12Å; T712-E735 PolarHBondContact OG1-OE1 3.19Å; S714-E735 VanDerWaalsContact CB-OE2 3.28Å; S714-E735 WeakPolarHBondContact CB-OE2 3.37Å; S714-E735 PolarHBondContact OG-OE1 2.86Å; S714-E735 VanDerWaalsContact OG-OE1 3.06Å; S714-E735 PolarHBondContact OG-OE2 3.1Å; L731-E735 WeakPolarHBondContact O-CG 3.35Å; L731-E735 PolarHBondContact O-N 3.01Å; R732-E735 WeakPolarHBondContact O-CB 3.44Å; R732-E735 PolarHBondContact O-N 2.81Å; E735-K773 PolarHBondContact O-NZ 3.41Å |
| 736 | E | 90.3 | Very high | 92 | Very high | 125 Ų | 125 | 50.7 Ų | 50.7 | 58% | 0.584 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -70.5 | -49.5 | 177 | -71.8 | 174.5 | -165.2 | 0 | 0 | 111.9 | R732 M738 K773 | R732-E736 WeakPolarHBondContact CG-OE1 3.29Å; R732-E736 WeakPolarHBondContact O-CG 3.15Å; R732-E736 PolarHBondContact O-N 2.73Å; E736-M738 VanDerWaalsContact C-N 3.29Å; E736-M738 PolarHBondContact O-N 3.08Å; E736-K773 PolarHBondContact O-NZ 3.01Å |
| 737 | S | 89.9 | Confident | 91.9 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -20.2 | -179.9 | 48.6 | 0 | 0 | 0 | 0 | 115.1 | A733 K734 G739 V740 D741 | A733-S737 VanDerWaalsContact O-CB 3.3Å; A733-S737 WeakPolarHBondContact O-CB 2.95Å; A733-S737 PolarHBondContact O-N 3.34Å; A733-S737 PolarHBondContact O-OG 3.21Å; K734-S737 WeakPolarHBondContact CA-OG 3.43Å; K734-S737 PolarHBondContact NZ-OG 3.38Å; K734-S737 VanDerWaalsContact NZ-OG 3.14Å; S737-G739 PolarHBondContact O-N 2.86Å; S737-G739 VanDerWaalsContact O-N 3.16Å; S737-V740 PolarHBondContact O-N 3.38Å; S737-D741 WeakPolarHBondContact CB-OD1 3.38Å; S737-D741 WeakPolarHBondContact CB-OD2 3.36Å; S737-D741 PolarHBondContact O-N 3.44Å |
| 738 | M | 88.6 | Confident | 91.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 120 | 175 | -90.4 | -175.2 | 66.7 | 0 | 0 | 111.6 | V702 M703 K734 E736 L746 K773 W780 F796 L798 | V702-M738 HydrophobicContact CB-SD 3.71Å; V702-M738 HydrophobicContact CG2-SD 3.82Å; M703-M738 HydrophobicContact CG-CE 4.34Å; M703-M738 HydrophobicContact CG-SD 4.14Å; K734-M738 WeakPolarHBondContact O-CG 3.35Å; K734-M738 PolarHBondContact O-N 2.84Å; E736-M738 VanDerWaalsContact C-N 3.29Å; E736-M738 PolarHBondContact O-N 3.08Å; M738-L746 HydrophobicContact CB-CD2 4.4Å; M738-L746 HydrophobicContact CE-CD1 4Å; M738-L746 HydrophobicContact CE-CD2 4.48Å; M738-L746 HydrophobicContact CG-CD2 4.08Å; M738-K773 PolarHBondContact O-NZ 2.89Å; M738-W780 HydrophobicContact CB-CH2 4.03Å; M738-W780 HydrophobicContact CB-CZ3 4.49Å; M738-W780 HydrophobicContact CE-CH2 4.14Å; M738-W780 HydrophobicContact CE-CZ3 4.14Å; M738-F796 HydrophobicContact CE-CB 3.92Å; M738-F796 WeakPolarHBondContact CE-O 3.4Å; M738-L798 HydrophobicContact CB-CD2 4.5Å; M738-L798 HydrophobicContact CG-CD1 4.2Å; M738-L798 HydrophobicContact CG-CD2 3.65Å; M738-L798 HydrophobicContact CG-CG 3.66Å |
| 739 | G | 84.8 | Confident | 91.5 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 5.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S737 | S737-G739 PolarHBondContact O-N 2.86Å; S737-G739 VanDerWaalsContact O-N 3.16Å |
| 740 | V | 87.8 | Confident | 91.3 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 58% | 0.576 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -53 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | S737 G744 | S737-V740 PolarHBondContact O-N 3.38Å; V740-G744 PolarHBondContact O-N 3.46Å |
| 741 | D | 83.9 | Confident | 91.1 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 162.2 | 176.3 | -76.3 | 15.5 | 0 | 0 | 0 | 111.5 | K734 S737 N743 G744 | K734-D741 IonicContact NZ-OD2 2.69Å; S737-D741 WeakPolarHBondContact CB-OD1 3.38Å; S737-D741 WeakPolarHBondContact CB-OD2 3.36Å; S737-D741 PolarHBondContact O-N 3.44Å; D741-N743 VanDerWaalsContact C-N 3.28Å; D741-N743 PolarHBondContact O-N 3.05Å; D741-G744 WeakPolarHBondContact O-CA 3.33Å; D741-G744 PolarHBondContact O-N 2.88Å |
| 742 | N | 86.6 | Confident | 91 | Very high | 101 Ų | 101 | 48 Ų | 48 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | 53.5 | 40.8 | 177 | -57.4 | -37.6 | 0 | 0 | 0 | 113.5 | G744 V745 | N742-G744 PolarHBondContact O-N 2.89Å; N742-V745 WeakPolarHBondContact O-CB 3.31Å; N742-V745 WeakPolarHBondContact O-CG2 3.29Å; N742-V745 PolarHBondContact O-N 3.22Å; N742-V745 VanDerWaalsContact O-N 3.11Å |
| 743 | N | 86.3 | Confident | 90.9 | Very high | 151 Ų | 151 | 50.5 Ų | 50.5 | 81% | 0.807 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | 57 | 33.1 | -174.1 | -54 | -18.1 | 0 | 0 | 0 | 113.3 | D741 V745 | D741-N743 VanDerWaalsContact C-N 3.28Å; D741-N743 PolarHBondContact O-N 3.05Å; N743-V745 PolarHBondContact O-N 2.94Å |
| 744 | G | 90.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | 70.2 | 9.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V740 D741 N742 L746 I770 | V740-G744 PolarHBondContact O-N 3.46Å; D741-G744 WeakPolarHBondContact O-CA 3.33Å; D741-G744 PolarHBondContact O-N 2.88Å; N742-G744 PolarHBondContact O-N 2.89Å; G744-L746 PolarHBondContact O-N 3.19Å; G744-I770 PolarHBondContact O-N 3.44Å |
| 745 | V | 92.9 | Very high | 90.6 | Very high | 36 Ų | 36 | 53 Ų | 53 | 22% | 0.218 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.7 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | N742 N743 M767 | N742-V745 WeakPolarHBondContact O-CB 3.31Å; N742-V745 WeakPolarHBondContact O-CG2 3.29Å; N742-V745 PolarHBondContact O-N 3.22Å; N742-V745 VanDerWaalsContact O-N 3.11Å; N743-V745 PolarHBondContact O-N 2.94Å; V745-M767 HydrophobicContact CG1-CB 4.34Å |
| 746 | L | 94.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 162.1 | 172.9 | -63 | 179.5 | 0 | 0 | 0 | 110.9 | M738 G744 V768 I770 W780 F796 L798 | M738-L746 HydrophobicContact CB-CD2 4.4Å; M738-L746 HydrophobicContact CE-CD1 4Å; M738-L746 HydrophobicContact CE-CD2 4.48Å; M738-L746 HydrophobicContact CG-CD2 4.08Å; G744-L746 PolarHBondContact O-N 3.19Å; L746-V768 PolarHBondContact N-O 3.14Å; L746-V768 PolarHBondContact O-N 3.48Å; L746-I770 HydrophobicContact CD1-CD1 4.11Å; L746-I770 HydrophobicContact CD1-CG1 3.68Å; L746-I770 HydrophobicContact CG-CG1 4.2Å; L746-W780 HydrophobicContact CD1-CE3 4.26Å; L746-W780 HydrophobicContact CD1-CZ3 3.65Å; L746-F796 HydrophobicContact CB-CB 4.15Å; L746-F796 HydrophobicContact CB-CD1 4.03Å; L746-F796 HydrophobicContact CB-CG 4.35Å; L746-F796 HydrophobicContact CD1-CB 3.98Å; L746-F796 HydrophobicContact CD1-CG 4.38Å; L746-L798 HydrophobicContact CD2-CD2 3.86Å |
| 747 | Y | 93.5 | Very high | 90.4 | Very high | 62 Ų | 62 | 53.9 Ų | 53.9 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.8 | 177.3 | -62.2 | -93.9 | 0 | 0 | 0 | 110.1 | L749 M767 F796 G797 L798 P800 | Y747-L749 PolarHBondContact O-N 2.93Å; Y747-M767 HydrophobicContact CD1-CG 3.8Å; Y747-M767 HydrophobicContact CE1-CG 3.5Å; Y747-M767 VanDerWaalsContact CE1-CG 3.5Å; Y747-M767 HydrophobicContact CE1-SD 3.94Å; Y747-F796 WeakPolarHBondContact O-CA 3.34Å; Y747-G797 PolarHBondContact N-O 3.27Å; Y747-G797 PolarHBondContact O-N 3.18Å; Y747-L798 WeakPolarHBondContact CD2-O 3.34Å; Y747-L798 WeakPolarHBondContact CE2-O 3.26Å; Y747-P800 HydrophobicContact CD1-CB 3.7Å; Y747-P800 HydrophobicContact CD1-CG 3.95Å; Y747-P800 HydrophobicContact CE1-CB 4.26Å; Y747-P800 HydrophobicContact CE1-CG 4.02Å; Y747-P800 HydrophobicContact CG-CB 3.97Å; Y747-P800 HydrophobicContact CG-CG 4.29Å |
| 748 | A | 93.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 119 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | F762 K763 G765 D766 F796 | A748-F762 HydrophobicContact CB-CD2 3.43Å; A748-F762 VanDerWaalsContact CB-CD2 3.43Å; A748-F762 HydrophobicContact CB-CE2 3.85Å; A748-F762 HydrophobicContact CB-CG 4.25Å; A748-K763 VanDerWaalsContact CB-O 3.22Å; A748-K763 WeakPolarHBondContact CB-O 3.49Å; A748-G765 PolarHBondContact O-N 3.5Å; A748-D766 HydrophobicContact CB-CB 4.39Å; A748-D766 PolarHBondContact N-O 2.91Å; A748-F796 HydrophobicContact CB-CD1 4.38Å; A748-F796 HydrophobicContact CB-CE1 3.98Å |
| 749 | L | 92.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -89.2 | -10.2 | 180 | -58.5 | 178.5 | 0 | 0 | 0 | 112.6 | A701 Y747 L795 F796 K801 | A701-L749 VanDerWaalsContact CA-CD1 3.46Å; A701-L749 HydrophobicContact CB-CD1 3.59Å; Y747-L749 PolarHBondContact O-N 2.93Å; L749-L795 WeakPolarHBondContact CB-O 3.49Å; L749-L795 PolarHBondContact N-O 3Å; L749-F796 VanDerWaalsContact CD1-C 3.49Å; L749-F796 WeakPolarHBondContact CD1-O 3.49Å; L749-K801 HydrophobicContact CD2-CG 4.01Å; L749-K801 VanDerWaalsContact O-CE 3.25Å; L749-K801 WeakPolarHBondContact O-CE 3.45Å; L749-K801 PolarHBondContact O-NZ 3.17Å |
| 750 | W | 91.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 57.9 Ų | 57.9 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -140.7 | 162.5 | 172.9 | -69.1 | -91.9 | 0 | 0 | 0 | 110.5 | M360 P361 A701 F762 L795 | M360-W750 HydrophobicContact CE-CH2 3.34Å; M360-W750 HydrophobicContact CE-CZ2 4.24Å; M360-W750 HydrophobicContact CE-CZ3 3.77Å; M360-W750 HydrophobicContact SD-CH2 3.81Å; M360-W750 HydrophobicContact SD-CZ2 4.14Å; P361-W750 HydrophobicContact CG-CB 4.2Å; P361-W750 HydrophobicContact CG-CD2 4.25Å; P361-W750 HydrophobicContact CG-CG 3.75Å; A701-W750 HydrophobicContact CB-CH2 3.77Å; A701-W750 HydrophobicContact CB-CZ3 3.86Å; W750-F762 WeakPolarHBondContact O-CD2 3.09Å; W750-F762 WeakPolarHBondContact O-CE2 3.35Å; W750-L795 HydrophobicContact CD2-CD2 4.26Å; W750-L795 HydrophobicContact CE3-CB 4.22Å; W750-L795 HydrophobicContact CE3-CD2 3.8Å; W750-L795 HydrophobicContact CZ3-CD2 4.39Å |
| 751 | S | 92.9 | Very high | 91.5 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | trans | -78.1 | 129.5 | 164.8 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | F762 | S751-F762 CarbonylContact C-O 3.51Å; S751-F762 WeakPolarHBondContact CA-O 3.43Å | ||
| 752 | Y | 93.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -121.7 | 130.4 | 175.2 | -178.6 | -103.6 | 0 | 0 | 0 | 110.8 | L358 E759 S761 F762 L795 | L358-Y752 HydrophobicContact CD1-CE2 4.24Å; L358-Y752 HydrophobicContact CD2-CE2 4.11Å; Y752-E759 HydrophobicContact CE1-CB 4.45Å; Y752-E759 PolarHBondContact OH-OE2 3.17Å; Y752-S761 WeakPolarHBondContact O-CA 3.32Å; Y752-F762 VanDerWaalsContact CB-CE2 3.46Å; Y752-F762 HydrophobicContact CD1-CD1 4.36Å; Y752-F762 AromaticContact CD1-CE1 3.84Å; Y752-F762 HydrophobicContact CD1-CE1 3.84Å; Y752-F762 HydrophobicContact CD1-CZ 4.26Å; Y752-F762 HydrophobicContact CG-CE1 4.04Å; Y752-F762 AromaticContact CG-CZ 3.98Å; Y752-F762 HydrophobicContact CG-CZ 3.98Å; Y752-F762 PolarHBondContact N-O 3.35Å; Y752-F762 PolarHBondContact O-N 3.11Å; Y752-F762 VanDerWaalsContact O-O 3.09Å; Y752-L795 HydrophobicContact CD2-CD1 3.83Å; Y752-L795 HydrophobicContact CG-CD1 4.17Å |
| 753 | Q | 93.4 | Very high | 92.3 | Very high | 145 Ų | 145 | 54.7 Ų | 54.7 | 68% | 0.678 | 30% | 0.298 | S | S | * | . | trans | -105.4 | 117.5 | 174.6 | -178.8 | 56.6 | 67.3 | 0 | 0 | 108.6 | Q755 | Q753-Q755 PolarHBondContact O-N 3.18Š| ||
| 754 | A | 91.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | trans | -52.9 | 131.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E759 | A754-E759 HydrophobicContact CB-CB 3.81Å; A754-E759 VanDerWaalsContact CB-O 3.27Å; A754-E759 WeakPolarHBondContact CB-O 3.48Å | ||
| 755 | Q | 91.1 | Very high | 92.5 | Very high | 115 Ų | 115 | 54.2 Ų | 54.2 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -98 | -33.5 | 176.5 | -50.9 | 180 | 22.5 | 0 | 0 | 110.8 | Q753 E759 | Q753-Q755 PolarHBondContact O-N 3.18Å; Q755-E759 VanDerWaalsContact CA-OE2 3.32Å; Q755-E759 WeakPolarHBondContact CA-OE2 3.42Å; Q755-E759 WeakPolarHBondContact CB-OE2 3.26Å; Q755-E759 PolarHBondContact N-OE2 3.08Å |
| 756 | A | 90.7 | Very high | 92.6 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 26% | 0.256 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -108.2 | 157.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D758 E759 | A756-D758 VanDerWaalsContact CB-OD1 3.29Å; A756-D758 WeakPolarHBondContact CB-OD1 3.41Å; A756-D758 PolarHBondContact O-N 3.38Å; A756-E759 HydrophobicContact CB-CB 4.46Å; A756-E759 HydrophobicContact CB-CG 3.9Å; A756-E759 PolarHBondContact N-OE2 2.95Å; A756-E759 PolarHBondContact O-N 3.17Å |
| 757 | P | 88.8 | Confident | 92.6 | Very high | 142 Ų | 142 | 60.5 Ų | 60.5 | 92% | 0.922 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.6 | -176.7 | 31.9 | -36.7 | 0 | 0 | 0 | 114 | ||
| 758 | D | 92.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -2.3 | 176.6 | 54.5 | -48.4 | 0 | 0 | 0 | 113.1 | A756 G789 F790 | A756-D758 VanDerWaalsContact CB-OD1 3.29Å; A756-D758 WeakPolarHBondContact CB-OD1 3.41Å; A756-D758 PolarHBondContact O-N 3.38Å; D758-G789 CarbonylContact O-C 3.49Å; D758-G789 WeakPolarHBondContact O-CA 3.41Å; D758-F790 PolarHBondContact O-N 2.81Å |
| 759 | E | 93.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -89.9 | 145.8 | 171.8 | -72.5 | 167.2 | 178.2 | 0 | 0 | 111.5 | Y752 A754 Q755 A756 W779 F790 | Y752-E759 HydrophobicContact CE1-CB 4.45Å; Y752-E759 PolarHBondContact OH-OE2 3.17Å; A754-E759 HydrophobicContact CB-CB 3.81Å; A754-E759 VanDerWaalsContact CB-O 3.27Å; A754-E759 WeakPolarHBondContact CB-O 3.48Å; Q755-E759 VanDerWaalsContact CA-OE2 3.32Å; Q755-E759 WeakPolarHBondContact CA-OE2 3.42Å; Q755-E759 WeakPolarHBondContact CB-OE2 3.26Å; Q755-E759 PolarHBondContact N-OE2 3.08Å; A756-E759 HydrophobicContact CB-CB 4.46Å; A756-E759 HydrophobicContact CB-CG 3.9Å; A756-E759 PolarHBondContact N-OE2 2.95Å; A756-E759 PolarHBondContact O-N 3.17Å; E759-W779 HydrophobicContact CG-CH2 4.2Å; E759-W779 HydrophobicContact CG-CZ3 3.92Å; E759-W779 WeakPolarHBondContact OE1-CH2 3.36Å; E759-F790 WeakPolarHBondContact CA-O 3.37Å |
| 760 | L | 93.2 | Very high | 92.7 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 121 | -177.7 | -178.2 | 63.5 | 0 | 0 | 0 | 111.4 | F762 L784 K787 F790 V791 | L760-F762 VanDerWaalsContact O-CD1 3.24Å; L760-F762 WeakPolarHBondContact O-CD1 3.37Å; L760-L784 HydrophobicContact CD1-CB 4.25Å; L760-L784 HydrophobicContact CD2-CB 3.78Å; L760-L784 HydrophobicContact CG-CB 4.28Å; L760-K787 HydrophobicContact CD1-CB 3.89Å; L760-F790 PolarHBondContact N-O 3.5Å; L760-V791 HydrophobicContact CB-CG1 3.72Å; L760-V791 HydrophobicContact CD2-CG1 3.91Å; L760-V791 HydrophobicContact CG-CG1 4.23Å |
| 761 | S | 93.6 | Very high | 92.7 | Very high | 52 Ų | 52 | 63.4 Ų | 63.4 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 131.5 | 176 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | Y752 | Y752-S761 WeakPolarHBondContact O-CA 3.32Š|
| 762 | F | 94 | Very high | 92.6 | Very high | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -142.8 | 166.1 | -177.7 | 55 | -100 | 0 | 0 | 0 | 112.6 | A748 W750 S751 Y752 L760 D766 V768 L784 V791 P792 L795 F796 | A748-F762 HydrophobicContact CB-CD2 3.43Å; A748-F762 VanDerWaalsContact CB-CD2 3.43Å; A748-F762 HydrophobicContact CB-CE2 3.85Å; A748-F762 HydrophobicContact CB-CG 4.25Å; W750-F762 WeakPolarHBondContact O-CD2 3.09Å; W750-F762 WeakPolarHBondContact O-CE2 3.35Å; S751-F762 CarbonylContact C-O 3.51Å; S751-F762 WeakPolarHBondContact CA-O 3.43Å; Y752-F762 VanDerWaalsContact CB-CE2 3.46Å; Y752-F762 HydrophobicContact CD1-CD1 4.36Å; Y752-F762 AromaticContact CD1-CE1 3.84Å; Y752-F762 HydrophobicContact CD1-CE1 3.84Å; Y752-F762 HydrophobicContact CD1-CZ 4.26Å; Y752-F762 HydrophobicContact CG-CE1 4.04Å; Y752-F762 AromaticContact CG-CZ 3.98Å; Y752-F762 HydrophobicContact CG-CZ 3.98Å; Y752-F762 PolarHBondContact N-O 3.35Å; Y752-F762 PolarHBondContact O-N 3.11Å; Y752-F762 VanDerWaalsContact O-O 3.09Å; L760-F762 VanDerWaalsContact O-CD1 3.24Å; L760-F762 WeakPolarHBondContact O-CD1 3.37Å; F762-D766 HydrophobicContact CB-CB 4.49Å; F762-V768 HydrophobicContact CB-CG2 4.46Å; F762-L784 HydrophobicContact CB-CD2 3.86Å; F762-V791 HydrophobicContact CD1-CG1 4.04Å; F762-V791 HydrophobicContact CE1-CB 4Å; F762-V791 HydrophobicContact CE1-CG1 3.81Å; F762-P792 HydrophobicContact CZ-CG 4.48Å; F762-L795 HydrophobicContact CE2-CB 4.24Å; F762-L795 HydrophobicContact CE2-CD1 4.4Å; F762-L795 HydrophobicContact CZ-CB 4.1Å; F762-L795 HydrophobicContact CZ-CD1 4.1Å; F762-F796 HydrophobicContact CD1-CZ 4.08Å; F762-F796 HydrophobicContact CD2-CZ 4.48Å; F762-F796 HydrophobicContact CE1-CE2 4.09Å; F762-F796 AromaticContact CE1-CZ 3.56Å; F762-F796 HydrophobicContact CE1-CZ 3.56Å; F762-F796 HydrophobicContact CE2-CE1 4.41Å; F762-F796 AromaticContact CE2-CZ 3.98Å; F762-F796 HydrophobicContact CE2-CZ 3.98Å; F762-F796 HydrophobicContact CZ-CE1 4.33Å; F762-F796 AromaticContact CZ-CE2 3.81Å; F762-F796 HydrophobicContact CZ-CE2 3.81Å; F762-F796 AromaticContact CZ-CZ 3.48Å; F762-F796 HydrophobicContact CZ-CZ 3.48Å; F762-F796 VanDerWaalsContact CZ-CZ 3.48Å |
| 763 | K | 93.4 | Very high | 92.2 | Very high | 144 Ų | 144 | 67.2 Ų | 67.2 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | trans | -117 | 158 | 179.2 | -65 | 177.4 | -177.8 | 174.5 | 0 | 111.7 | A748 G765 D766 | A748-K763 VanDerWaalsContact CB-O 3.22Å; A748-K763 WeakPolarHBondContact CB-O 3.49Å; K763-G765 PolarHBondContact O-N 3.05Å; K763-D766 WeakPolarHBondContact CB-OD2 3.12Å; K763-D766 PolarHBondContact N-OD2 3.46Å; K763-D766 WeakPolarHBondContact O-CB 3.44Å; K763-D766 PolarHBondContact O-N 3.14Å | ||
| 764 | E | 91.6 | Very high | 91.6 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 120.4 | 173 | -177.8 | 171.9 | -158.4 | 0 | 0 | 110.8 | K801 | E764-K801 HydrophobicContact CG-CD 4.44Å; E764-K801 WeakPolarHBondContact OE1-CD 3.47Å; E764-K801 WeakPolarHBondContact OE1-CE 3.37Å; E764-K801 IonicContact OE1-NZ 2.69Å; E764-K801 PolarHBondContact OE1-NZ 3.38Å |
| 765 | G | 90.5 | Very high | 90.8 | Very high | 32 Ų | 32 | 68.3 Ų | 68.3 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -2.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A748 K763 | A748-G765 PolarHBondContact O-N 3.5Å; K763-G765 PolarHBondContact O-N 3.05Å |
| 766 | D | 94 | Very high | 89.8 | Confident | 51 Ų | 51 | 67.2 Ų | 67.2 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | trans | -69 | 141.4 | 172.4 | -72.5 | -13.8 | 0 | 0 | 0 | 110.8 | A748 F762 K763 L784 | A748-D766 HydrophobicContact CB-CB 4.39Å; A748-D766 PolarHBondContact N-O 2.91Å; F762-D766 HydrophobicContact CB-CB 4.49Å; K763-D766 WeakPolarHBondContact CB-OD2 3.12Å; K763-D766 PolarHBondContact N-OD2 3.46Å; K763-D766 WeakPolarHBondContact O-CB 3.44Å; K763-D766 PolarHBondContact O-N 3.14Å; D766-L784 HydrophobicContact CB-CD1 4.25Å; D766-L784 HydrophobicContact CB-CD2 4.44Å | ||
| 767 | M | 93.4 | Very high | 89.4 | Confident | 118 Ų | 118 | 68.3 Ų | 68.3 | 58% | 0.581 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120.2 | 173.7 | -66.4 | -179.8 | -63.1 | 0 | 0 | 109.6 | V745 Y747 L784 | V745-M767 HydrophobicContact CG1-CB 4.34Å; Y747-M767 HydrophobicContact CD1-CG 3.8Å; Y747-M767 HydrophobicContact CE1-CG 3.5Å; Y747-M767 VanDerWaalsContact CE1-CG 3.5Å; Y747-M767 HydrophobicContact CE1-SD 3.94Å; M767-L784 WeakPolarHBondContact O-CD1 3.41Å |
| 768 | V | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127 | -176 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | L746 F762 A782 L784 F796 | L746-V768 PolarHBondContact N-O 3.14Å; L746-V768 PolarHBondContact O-N 3.48Å; F762-V768 HydrophobicContact CB-CG2 4.46Å; V768-A782 HydrophobicContact CG1-CB 3.57Å; V768-L784 HydrophobicContact CG2-CB 4.37Å; V768-L784 HydrophobicContact CG2-CD1 4.26Å; V768-L784 HydrophobicContact CG2-CD2 4.42Å; V768-F796 HydrophobicContact CB-CE1 3.72Å; V768-F796 HydrophobicContact CB-CZ 4.35Å; V768-F796 HydrophobicContact CG1-CE1 4.04Å; V768-F796 HydrophobicContact CG1-CZ 4.21Å; V768-F796 HydrophobicContact CG2-CE1 3.79Å; V768-F796 HydrophobicContact CG2-CZ 4.34Å |
| 769 | T | 94.5 | Very high | 89.1 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 31% | 0.307 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 117.5 | 178.6 | -60.4 | 0 | 0 | 0 | 0 | 109.5 | L771 A782 S783 | T769-L771 HydrophobicContact CG2-CD2 4.38Å; T769-L771 PolarHBondContact O-N 3.46Å; T769-A782 CarbonylContact O-C 3.58Å; T769-A782 VanDerWaalsContact O-CA 3.26Å; T769-A782 WeakPolarHBondContact O-CA 3.45Å; T769-A782 WeakPolarHBondContact O-CB 3.33Å; T769-S783 PolarHBondContact N-O 3.43Å; T769-S783 PolarHBondContact O-N 3.2Å |
| 770 | I | 93.9 | Very high | 89 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 127.2 | 171.8 | -53.4 | -51.2 | 0 | 0 | 0 | 108.7 | G744 L746 W780 A782 V791 | G744-I770 PolarHBondContact O-N 3.44Å; L746-I770 HydrophobicContact CD1-CD1 4.11Å; L746-I770 HydrophobicContact CD1-CG1 3.68Å; L746-I770 HydrophobicContact CG-CG1 4.2Å; I770-W780 HydrophobicContact CD1-CB 4.34Å; I770-W780 HydrophobicContact CD1-CE3 3.84Å; I770-W780 HydrophobicContact CG1-CE3 4.04Å; I770-W780 HydrophobicContact CG2-CB 4.12Å; I770-A782 HydrophobicContact CD1-CB 3.74Å; I770-V791 HydrophobicContact CD1-CG2 4.07Å |
| 771 | L | 91.5 | Very high | 89 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 47% | 0.466 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -35.6 | 177.3 | -63.8 | -178.7 | 0 | 0 | 0 | 111.6 | T769 W781 E788 | T769-L771 HydrophobicContact CG2-CD2 4.38Å; T769-L771 PolarHBondContact O-N 3.46Å; L771-W781 PolarHBondContact N-O 3.03Å; L771-E788 VanDerWaalsContact CD1-CD 3.45Å; L771-E788 HydrophobicContact CD1-CG 3.79Å |
| 772 | Q | 90.3 | Very high | 89.1 | Confident | 118 Ų | 118 | 62 Ų | 62 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 119.5 | 177.5 | -167.6 | 176.7 | 2.9 | 0 | 0 | 111.3 | W781 | Q772-W781 HydrophobicContact CB-CB 4.06Å; Q772-W781 PolarHBondContact N-O 3.34Å; Q772-W781 PolarHBondContact O-N 3.41Å |
| 773 | K | 87.1 | Confident | 89.1 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 27% | 0.274 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 114.1 | 166.7 | -165.3 | 167.3 | -176.4 | 166.6 | 0 | 107.1 | E735 E736 M738 W780 | E735-K773 PolarHBondContact O-NZ 3.41Å; E736-K773 PolarHBondContact O-NZ 3.01Å; M738-K773 PolarHBondContact O-NZ 2.89Å; K773-W780 HydrophobicContact CD-CZ2 4.39Å; K773-W780 HydrophobicContact CG-CZ2 4.41Å |
| 774 | T | 80.4 | Confident | 89.1 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | trans | -91.5 | 112.3 | 174.1 | 31.9 | 0 | 0 | 0 | 0 | 109.5 | S777 W779 | T774-S777 WeakPolarHBondContact O-CB 3.46Å; T774-S777 PolarHBondContact O-N 3.25Å; T774-S777 VanDerWaalsContact O-N 3.15Å; T774-W779 PolarHBondContact OG1-O 3.19Å | ||
| 775 | D | 73.4 | Confident | 89 | Confident | 150 Ų | 150 | 58.1 Ų | 58.1 | 80% | 0.802 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 137.5 | -173.4 | -60.3 | -42.2 | 0 | 0 | 0 | 112.3 | S777 | D775-S777 PolarHBondContact O-N 2.79Š|
| 776 | G | 71.2 | Confident | 88.8 | Confident | 92 Ų | 92 | 60 Ų | 60 | 95% | 0.948 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 12 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 777 | S | 81.9 | Confident | 88.7 | Confident | 55 Ų | 55 | 64.6 Ų | 64.6 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | trans | -114 | 138.6 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | T774 D775 W779 | T774-S777 WeakPolarHBondContact O-CB 3.46Å; T774-S777 PolarHBondContact O-N 3.25Å; T774-S777 VanDerWaalsContact O-N 3.15Å; D775-S777 PolarHBondContact O-N 2.79Å; S777-W779 PolarHBondContact O-N 3.11Å; S777-W779 VanDerWaalsContact O-N 3.16Å | ||
| 778 | D | 84.7 | Confident | 88.8 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 40% | 0.401 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -70.1 | -5.8 | 177.5 | -61.4 | -31.7 | 0 | 0 | 0 | 114 | P792 N793 | D778-P792 WeakPolarHBondContact O-CA 3.47Å; D778-N793 PolarHBondContact O-N 3.27Å; D778-N793 PolarHBondContact O-OD1 3.17Å |
| 779 | W | 90.1 | Very high | 88.8 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 6% | 0.064 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.4 | -174.9 | -62.2 | 87.1 | 0 | 0 | 0 | 110.4 | I354 L358 E759 T774 S777 F790 V791 P792 | I354-W779 HydrophobicContact CG2-CZ2 4.11Å; L358-W779 HydrophobicContact CD1-CH2 3.78Å; L358-W779 HydrophobicContact CD1-CZ2 3.8Å; L358-W779 HydrophobicContact CD1-CZ3 4.49Å; E759-W779 HydrophobicContact CG-CH2 4.2Å; E759-W779 HydrophobicContact CG-CZ3 3.92Å; E759-W779 WeakPolarHBondContact OE1-CH2 3.36Å; T774-W779 PolarHBondContact OG1-O 3.19Å; S777-W779 PolarHBondContact O-N 3.11Å; S777-W779 VanDerWaalsContact O-N 3.16Å; W779-F790 HydrophobicContact CB-CD1 4.17Å; W779-F790 HydrophobicContact CE3-CB 3.99Å; W779-V791 WeakPolarHBondContact CA-O 3.42Å; W779-P792 HydrophobicContact CD2-CB 4.47Å; W779-P792 HydrophobicContact CE3-CB 4.13Å; W779-P792 HydrophobicContact CH2-CB 4.49Å; W779-P792 HydrophobicContact CZ3-CB 4.15Å; W779-P792 HydrophobicContact CZ3-CG 4.33Å |
| 780 | W | 92.4 | Very high | 88.7 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.019 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.3 | 176.8 | -58.3 | -25.6 | 0 | 0 | 0 | 110 | M703 M738 L746 I770 K773 F790 V791 N793 | M703-W780 HydrophobicContact SD-CH2 3.46Å; M703-W780 WeakPolarHBondContact SD-CH2 3.42Å; M703-W780 HydrophobicContact SD-CZ2 3.46Å; M703-W780 WeakPolarHBondContact SD-CZ2 3.44Å; M738-W780 HydrophobicContact CB-CH2 4.03Å; M738-W780 HydrophobicContact CB-CZ3 4.49Å; M738-W780 HydrophobicContact CE-CH2 4.14Å; M738-W780 HydrophobicContact CE-CZ3 4.14Å; L746-W780 HydrophobicContact CD1-CE3 4.26Å; L746-W780 HydrophobicContact CD1-CZ3 3.65Å; I770-W780 HydrophobicContact CD1-CB 4.34Å; I770-W780 HydrophobicContact CD1-CE3 3.84Å; I770-W780 HydrophobicContact CG1-CE3 4.04Å; I770-W780 HydrophobicContact CG2-CB 4.12Å; K773-W780 HydrophobicContact CD-CZ2 4.39Å; K773-W780 HydrophobicContact CG-CZ2 4.41Å; W780-F790 WeakPolarHBondContact O-CA 3.41Å; W780-V791 PolarHBondContact N-O 3.21Å; W780-V791 PolarHBondContact O-N 3.22Å; W780-N793 HydrophobicContact CD2-CB 3.85Å; W780-N793 HydrophobicContact CE3-CB 4.03Å; W780-N793 HydrophobicContact CH2-CB 3.73Å; W780-N793 HydrophobicContact CZ2-CB 3.5Å; W780-N793 VanDerWaalsContact CZ2-CB 3.5Å; W780-N793 HydrophobicContact CZ3-CB 3.96Å |
| 781 | W | 93.2 | Very high | 88.7 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 27% | 0.265 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 127 | 172.1 | -167.8 | -106.4 | 0 | 0 | 0 | 109.2 | L771 Q772 E788 G789 F790 | L771-W781 PolarHBondContact N-O 3.03Å; Q772-W781 HydrophobicContact CB-CB 4.06Å; Q772-W781 PolarHBondContact N-O 3.34Å; Q772-W781 PolarHBondContact O-N 3.41Å; W781-E788 HydrophobicContact CZ2-CB 3.66Å; W781-E788 PolarHBondContact NE1-OE2 3.01Å; W781-G789 VanDerWaalsContact CE3-C 3.47Å; W781-G789 VanDerWaalsContact CZ3-CA 3.5Å; W781-F790 AromaticContact CE3-CD1 3.92Å; W781-F790 HydrophobicContact CE3-CD1 3.92Å; W781-F790 AromaticContact CE3-CD2 3.84Å; W781-F790 HydrophobicContact CE3-CD2 3.84Å; W781-F790 AromaticContact CE3-CE1 3.93Å; W781-F790 HydrophobicContact CE3-CE1 3.93Å; W781-F790 AromaticContact CE3-CE2 3.84Å; W781-F790 HydrophobicContact CE3-CE2 3.84Å; W781-F790 AromaticContact CE3-CG 3.87Å; W781-F790 HydrophobicContact CE3-CG 3.87Å; W781-F790 AromaticContact CE3-CZ 3.88Å; W781-F790 HydrophobicContact CE3-CZ 3.88Å; W781-F790 AromaticContact CZ3-CD2 3.68Å; W781-F790 HydrophobicContact CZ3-CD2 3.68Å; W781-F790 AromaticContact CZ3-CE2 3.74Å; W781-F790 HydrophobicContact CZ3-CE2 3.74Å; W781-F790 HydrophobicContact CZ3-CG 4.12Å; W781-F790 HydrophobicContact CZ3-CZ 4.23Å |
| 782 | A | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 162.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V768 T769 I770 E788 G789 V791 | V768-A782 HydrophobicContact CG1-CB 3.57Å; T769-A782 CarbonylContact O-C 3.58Å; T769-A782 VanDerWaalsContact O-CA 3.26Å; T769-A782 WeakPolarHBondContact O-CA 3.45Å; T769-A782 WeakPolarHBondContact O-CB 3.33Å; I770-A782 HydrophobicContact CD1-CB 3.74Å; A782-E788 VanDerWaalsContact O-CA 3.26Å; A782-E788 WeakPolarHBondContact O-CA 3.4Å; A782-G789 PolarHBondContact N-O 3.3Å; A782-G789 PolarHBondContact O-N 2.97Å; A782-V791 HydrophobicContact CB-CB 4.5Å; A782-V791 HydrophobicContact CB-CG1 4.12Å; A782-V791 HydrophobicContact CB-CG2 3.56Å |
| 783 | S | 94.6 | Very high | 88.6 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.9 | 177.9 | -160 | 0 | 0 | 0 | 0 | 112.1 | T769 K787 | T769-S783 PolarHBondContact N-O 3.43Å; T769-S783 PolarHBondContact O-N 3.2Å; S783-K787 CarbonylContact C-O 3.57Å; S783-K787 VanDerWaalsContact CA-O 3.28Å; S783-K787 WeakPolarHBondContact CA-O 3.38Å; S783-K787 PolarHBondContact OG-O 3.4Å |
| 784 | L | 93.3 | Very high | 88.7 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 117.2 | 170.8 | 176.3 | 61.3 | 0 | 0 | 0 | 108.7 | L760 F762 D766 M767 V768 G786 K787 | L760-L784 HydrophobicContact CD1-CB 4.25Å; L760-L784 HydrophobicContact CD2-CB 3.78Å; L760-L784 HydrophobicContact CG-CB 4.28Å; F762-L784 HydrophobicContact CB-CD2 3.86Å; D766-L784 HydrophobicContact CB-CD1 4.25Å; D766-L784 HydrophobicContact CB-CD2 4.44Å; M767-L784 WeakPolarHBondContact O-CD1 3.41Å; V768-L784 HydrophobicContact CG2-CB 4.37Å; V768-L784 HydrophobicContact CG2-CD1 4.26Å; V768-L784 HydrophobicContact CG2-CD2 4.42Å; L784-G786 PolarHBondContact O-N 3.43Å; L784-G786 VanDerWaalsContact O-N 3.13Å; L784-K787 PolarHBondContact N-O 3.3Å; L784-K787 PolarHBondContact O-N 3.35Å |
| 785 | C | 89.3 | Confident | 89.2 | Confident | 132 Ų | 132 | 50.5 Ų | 50.5 | 89% | 0.892 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34.2 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 786 | G | 87.4 | Confident | 90.1 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 75% | 0.753 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 11.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L784 | L784-G786 PolarHBondContact O-N 3.43Å; L784-G786 VanDerWaalsContact O-N 3.13Å |
| 787 | K | 91.6 | Very high | 91.1 | Very high | 146 Ų | 146 | 39 Ų | 39 | 64% | 0.635 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.5 | 161.7 | -65 | -177.3 | 178.9 | -176.9 | 0 | 109.1 | L760 S783 L784 | L760-K787 HydrophobicContact CD1-CB 3.89Å; S783-K787 CarbonylContact C-O 3.57Å; S783-K787 VanDerWaalsContact CA-O 3.28Å; S783-K787 WeakPolarHBondContact CA-O 3.38Å; S783-K787 PolarHBondContact OG-O 3.4Å; L784-K787 PolarHBondContact N-O 3.3Å; L784-K787 PolarHBondContact O-N 3.35Å |
| 788 | E | 95 | Very high | 91.6 | Very high | 115 Ų | 115 | 36.6 Ų | 36.6 | 54% | 0.537 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 152.5 | 174.4 | -66.7 | 177.8 | -149.4 | 0 | 0 | 111.1 | L771 W781 A782 | L771-E788 VanDerWaalsContact CD1-CD 3.45Å; L771-E788 HydrophobicContact CD1-CG 3.79Å; W781-E788 HydrophobicContact CZ2-CB 3.66Å; W781-E788 PolarHBondContact NE1-OE2 3.01Å; A782-E788 VanDerWaalsContact O-CA 3.26Å; A782-E788 WeakPolarHBondContact O-CA 3.4Å |
| 789 | G | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | 172.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D758 W781 A782 | D758-G789 CarbonylContact O-C 3.49Å; D758-G789 WeakPolarHBondContact O-CA 3.41Å; W781-G789 VanDerWaalsContact CE3-C 3.47Å; W781-G789 VanDerWaalsContact CZ3-CA 3.5Å; A782-G789 PolarHBondContact N-O 3.3Å; A782-G789 PolarHBondContact O-N 2.97Å |
| 790 | F | 93.6 | Very high | 92 | Very high | 58 Ų | 58 | 38.8 Ų | 38.8 | 25% | 0.254 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 138.1 | 171.2 | -73.9 | -68.7 | 0 | 0 | 0 | 111.4 | D758 E759 L760 W779 W780 W781 | D758-F790 PolarHBondContact O-N 2.81Å; E759-F790 WeakPolarHBondContact CA-O 3.37Å; L760-F790 PolarHBondContact N-O 3.5Å; W779-F790 HydrophobicContact CB-CD1 4.17Å; W779-F790 HydrophobicContact CE3-CB 3.99Å; W780-F790 WeakPolarHBondContact O-CA 3.41Å; W781-F790 AromaticContact CE3-CD1 3.92Å; W781-F790 HydrophobicContact CE3-CD1 3.92Å; W781-F790 AromaticContact CE3-CD2 3.84Å; W781-F790 HydrophobicContact CE3-CD2 3.84Å; W781-F790 AromaticContact CE3-CE1 3.93Å; W781-F790 HydrophobicContact CE3-CE1 3.93Å; W781-F790 AromaticContact CE3-CE2 3.84Å; W781-F790 HydrophobicContact CE3-CE2 3.84Å; W781-F790 AromaticContact CE3-CG 3.87Å; W781-F790 HydrophobicContact CE3-CG 3.87Å; W781-F790 AromaticContact CE3-CZ 3.88Å; W781-F790 HydrophobicContact CE3-CZ 3.88Å; W781-F790 AromaticContact CZ3-CD2 3.68Å; W781-F790 HydrophobicContact CZ3-CD2 3.68Å; W781-F790 AromaticContact CZ3-CE2 3.74Å; W781-F790 HydrophobicContact CZ3-CE2 3.74Å; W781-F790 HydrophobicContact CZ3-CG 4.12Å; W781-F790 HydrophobicContact CZ3-CZ 4.23Å |
| 791 | V | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.4 | 171.8 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | L760 F762 I770 W779 W780 A782 F796 | L760-V791 HydrophobicContact CB-CG1 3.72Å; L760-V791 HydrophobicContact CD2-CG1 3.91Å; L760-V791 HydrophobicContact CG-CG1 4.23Å; F762-V791 HydrophobicContact CD1-CG1 4.04Å; F762-V791 HydrophobicContact CE1-CB 4Å; F762-V791 HydrophobicContact CE1-CG1 3.81Å; I770-V791 HydrophobicContact CD1-CG2 4.07Å; W779-V791 WeakPolarHBondContact CA-O 3.42Å; W780-V791 PolarHBondContact N-O 3.21Å; W780-V791 PolarHBondContact O-N 3.22Å; A782-V791 HydrophobicContact CB-CB 4.5Å; A782-V791 HydrophobicContact CB-CG1 4.12Å; A782-V791 HydrophobicContact CB-CG2 3.56Å; V791-F796 HydrophobicContact CB-CE2 3.66Å; V791-F796 HydrophobicContact CB-CZ 3.79Å; V791-F796 HydrophobicContact CG1-CZ 4.18Å; V791-F796 HydrophobicContact CG2-CE2 3.62Å; V791-F796 HydrophobicContact CG2-CZ 3.86Å |
| 792 | P | 91.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.9 | -179.2 | 33.3 | -35.4 | 0 | 0 | 0 | 111.7 | L358 F762 D778 W779 N794 L795 F796 | L358-P792 HydrophobicContact CD1-CB 3.33Å; L358-P792 HydrophobicContact CD1-CG 3.63Å; F762-P792 HydrophobicContact CZ-CG 4.48Å; D778-P792 WeakPolarHBondContact O-CA 3.47Å; W779-P792 HydrophobicContact CD2-CB 4.47Å; W779-P792 HydrophobicContact CE3-CB 4.13Å; W779-P792 HydrophobicContact CH2-CB 4.49Å; W779-P792 HydrophobicContact CZ3-CB 4.15Å; W779-P792 HydrophobicContact CZ3-CG 4.33Å; P792-N794 VanDerWaalsContact C-N 3.31Å; P792-N794 PolarHBondContact O-N 3.26Å; P792-L795 HydrophobicContact CG-CB 4.38Å; P792-L795 HydrophobicContact CG-CD1 3.7Å; P792-L795 HydrophobicContact CG-CG 3.89Å; P792-L795 PolarHBondContact O-N 3.3Å; P792-F796 WeakPolarHBondContact O-CD2 3.49Å; P792-F796 VanDerWaalsContact O-CE2 3.22Å; P792-F796 WeakPolarHBondContact O-CE2 3.38Å |
| 793 | N | 88.8 | Confident | 90.7 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -58.2 | -37.1 | -171.8 | 62.8 | 1.7 | 0 | 0 | 0 | 114.2 | M703 D778 W780 L795 F796 | M703-N793 WeakPolarHBondContact CE-ND2 3.44Å; M703-N793 HydrophobicContact SD-CB 3.93Å; D778-N793 PolarHBondContact O-N 3.27Å; D778-N793 PolarHBondContact O-OD1 3.17Å; W780-N793 HydrophobicContact CD2-CB 3.85Å; W780-N793 HydrophobicContact CE3-CB 4.03Å; W780-N793 HydrophobicContact CH2-CB 3.73Å; W780-N793 HydrophobicContact CZ2-CB 3.5Å; W780-N793 VanDerWaalsContact CZ2-CB 3.5Å; W780-N793 HydrophobicContact CZ3-CB 3.96Å; N793-L795 VanDerWaalsContact C-N 3.26Å; N793-L795 PolarHBondContact O-N 2.97Å; N793-F796 PolarHBondContact O-N 3.29Å |
| 794 | N | 89.8 | Confident | 89.4 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -73.6 | -9.4 | -172.9 | 71.1 | -15.9 | 0 | 0 | 0 | 115.1 | L358 M360 M703 F705 P792 | L358-N794 PolarHBondContact O-ND2 3.16Å; M360-N794 WeakPolarHBondContact CE-O 3.46Å; M703-N794 WeakPolarHBondContact O-CB 3.46Å; F705-N794 WeakPolarHBondContact CE1-ND2 3.41Å; P792-N794 VanDerWaalsContact C-N 3.31Å; P792-N794 PolarHBondContact O-N 3.26Å |
| 795 | L | 90.3 | Very high | 87.8 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -93.1 | 4.8 | 177.9 | -58 | -170.2 | 0 | 0 | 0 | 113.8 | P361 L749 W750 Y752 F762 P792 N793 | P361-L795 HydrophobicContact CG-CD2 4.29Å; L749-L795 WeakPolarHBondContact CB-O 3.49Å; L749-L795 PolarHBondContact N-O 3Å; W750-L795 HydrophobicContact CD2-CD2 4.26Å; W750-L795 HydrophobicContact CE3-CB 4.22Å; W750-L795 HydrophobicContact CE3-CD2 3.8Å; W750-L795 HydrophobicContact CZ3-CD2 4.39Å; Y752-L795 HydrophobicContact CD2-CD1 3.83Å; Y752-L795 HydrophobicContact CG-CD1 4.17Å; F762-L795 HydrophobicContact CE2-CB 4.24Å; F762-L795 HydrophobicContact CE2-CD1 4.4Å; F762-L795 HydrophobicContact CZ-CB 4.1Å; F762-L795 HydrophobicContact CZ-CD1 4.1Å; P792-L795 HydrophobicContact CG-CB 4.38Å; P792-L795 HydrophobicContact CG-CD1 3.7Å; P792-L795 HydrophobicContact CG-CG 3.89Å; P792-L795 PolarHBondContact O-N 3.3Å; N793-L795 VanDerWaalsContact C-N 3.26Å; N793-L795 PolarHBondContact O-N 2.97Å |
| 796 | F | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 157.5 | -176.3 | -66.2 | -81.8 | 0 | 0 | 0 | 114 | M738 L746 Y747 A748 L749 F762 V768 V791 P792 N793 | M738-F796 HydrophobicContact CE-CB 3.92Å; M738-F796 WeakPolarHBondContact CE-O 3.4Å; L746-F796 HydrophobicContact CB-CB 4.15Å; L746-F796 HydrophobicContact CB-CD1 4.03Å; L746-F796 HydrophobicContact CB-CG 4.35Å; L746-F796 HydrophobicContact CD1-CB 3.98Å; L746-F796 HydrophobicContact CD1-CG 4.38Å; Y747-F796 WeakPolarHBondContact O-CA 3.34Å; A748-F796 HydrophobicContact CB-CD1 4.38Å; A748-F796 HydrophobicContact CB-CE1 3.98Å; L749-F796 VanDerWaalsContact CD1-C 3.49Å; L749-F796 WeakPolarHBondContact CD1-O 3.49Å; F762-F796 HydrophobicContact CD1-CZ 4.08Å; F762-F796 HydrophobicContact CD2-CZ 4.48Å; F762-F796 HydrophobicContact CE1-CE2 4.09Å; F762-F796 AromaticContact CE1-CZ 3.56Å; F762-F796 HydrophobicContact CE1-CZ 3.56Å; F762-F796 HydrophobicContact CE2-CE1 4.41Å; F762-F796 AromaticContact CE2-CZ 3.98Å; F762-F796 HydrophobicContact CE2-CZ 3.98Å; F762-F796 HydrophobicContact CZ-CE1 4.33Å; F762-F796 AromaticContact CZ-CE2 3.81Å; F762-F796 HydrophobicContact CZ-CE2 3.81Å; F762-F796 AromaticContact CZ-CZ 3.48Å; F762-F796 HydrophobicContact CZ-CZ 3.48Å; F762-F796 VanDerWaalsContact CZ-CZ 3.48Å; V768-F796 HydrophobicContact CB-CE1 3.72Å; V768-F796 HydrophobicContact CB-CZ 4.35Å; V768-F796 HydrophobicContact CG1-CE1 4.04Å; V768-F796 HydrophobicContact CG1-CZ 4.21Å; V768-F796 HydrophobicContact CG2-CE1 3.79Å; V768-F796 HydrophobicContact CG2-CZ 4.34Å; V791-F796 HydrophobicContact CB-CE2 3.66Å; V791-F796 HydrophobicContact CB-CZ 3.79Å; V791-F796 HydrophobicContact CG1-CZ 4.18Å; V791-F796 HydrophobicContact CG2-CE2 3.62Å; V791-F796 HydrophobicContact CG2-CZ 3.86Å; P792-F796 WeakPolarHBondContact O-CD2 3.49Å; P792-F796 VanDerWaalsContact O-CE2 3.22Å; P792-F796 WeakPolarHBondContact O-CE2 3.38Å; N793-F796 PolarHBondContact O-N 3.29Å |
| 797 | G | 92.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 159.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y747 F799 | Y747-G797 PolarHBondContact N-O 3.27Å; Y747-G797 PolarHBondContact O-N 3.18Å; G797-F799 PolarHBondContact O-N 2.96Å |
| 798 | L | 92.3 | Very high | 81.2 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -67 | -21.4 | 174.8 | -69.1 | 164 | 0 | 0 | 0 | 112.7 | V696 V702 K734 M738 L746 Y747 | V696-L798 HydrophobicContact CG1-CD1 4.05Å; V702-L798 HydrophobicContact CG2-CD1 4.48Å; K734-L798 HydrophobicContact CB-CD1 4.05Å; K734-L798 HydrophobicContact CD-CD1 3.47Å; K734-L798 VanDerWaalsContact CD-CD1 3.47Å; K734-L798 HydrophobicContact CG-CD1 4.2Å; M738-L798 HydrophobicContact CB-CD2 4.5Å; M738-L798 HydrophobicContact CG-CD1 4.2Å; M738-L798 HydrophobicContact CG-CD2 3.65Å; M738-L798 HydrophobicContact CG-CG 3.66Å; L746-L798 HydrophobicContact CD2-CD2 3.86Å; Y747-L798 WeakPolarHBondContact CD2-O 3.34Å; Y747-L798 WeakPolarHBondContact CE2-O 3.26Å |
| 799 | F | 92 | Very high | 80.5 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -135.9 | 151.9 | -178.8 | -61.5 | -84.8 | 0 | 0 | 0 | 110.1 | V696 R697 G699 G797 | V696-F799 HydrophobicContact CG1-CD2 4.23Å; V696-F799 HydrophobicContact CG1-CE2 4.32Å; V696-F799 WeakPolarHBondContact O-CD2 3.3Å; R697-F799 HydrophobicContact CG-CE2 4.39Å; R697-F799 WeakPolarHBondContact O-CB 3.46Å; G699-F799 WeakPolarHBondContact CA-O 3.37Å; G797-F799 PolarHBondContact O-N 2.96Å |
| 800 | P | 91.2 | Very high | 79.8 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 152.7 | 175.4 | 30.9 | -33.7 | 0 | 0 | 0 | 111 | Y747 | Y747-P800 HydrophobicContact CD1-CB 3.7Å; Y747-P800 HydrophobicContact CD1-CG 3.95Å; Y747-P800 HydrophobicContact CE1-CB 4.26Å; Y747-P800 HydrophobicContact CE1-CG 4.02Å; Y747-P800 HydrophobicContact CG-CB 3.97Å; Y747-P800 HydrophobicContact CG-CG 4.29Å |
| 801 | K | 89.6 | Confident | 79.1 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 142.3 | 171 | -75.9 | 170.8 | 169 | 173.5 | 0 | 112 | L749 E764 R803 | L749-K801 HydrophobicContact CD2-CG 4.01Å; L749-K801 VanDerWaalsContact O-CE 3.25Å; L749-K801 WeakPolarHBondContact O-CE 3.45Å; L749-K801 PolarHBondContact O-NZ 3.17Å; E764-K801 HydrophobicContact CG-CD 4.44Å; E764-K801 WeakPolarHBondContact OE1-CD 3.47Å; E764-K801 WeakPolarHBondContact OE1-CE 3.37Å; E764-K801 IonicContact OE1-NZ 2.69Å; E764-K801 PolarHBondContact OE1-NZ 3.38Å; K801-R803 PolarHBondContact O-N 3.23Å |
| 802 | V | 86.8 | Confident | 78.2 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -60 | 117.5 | 166.8 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | V663 N698 | V663-V802 HydrophobicContact CG1-CG2 3.95Å; V663-V802 WeakPolarHBondContact O-CG1 3.37Å; N698-V802 HydrophobicContact CB-CG2 3.78Å; N698-V802 PolarHBondContact O-N 3Å; N698-V802 WeakPolarHBondContact OD1-CG2 3.42Å |
| 803 | R | 76 | Confident | 77.4 | Confident | 208 Ų | 208 | 67.1 Ų | 67.1 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 136.7 | 173 | -67.5 | -178.4 | -180 | 161.6 | 2.5 | 109.6 | K801 K805 | K801-R803 PolarHBondContact O-N 3.23Å; R803-K805 PolarHBondContact O-N 3.16Å; R803-K805 VanDerWaalsContact O-N 3.15Å |
| 804 | P | 67.8 | Low | 76.7 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 119.8 | -178.3 | 24.2 | -34 | 0 | 0 | 0 | 111.2 | I665 S806 | I665-P804 WeakPolarHBondContact O-CA 3.48Å; I665-P804 WeakPolarHBondContact O-CB 3.24Å; P804-S806 PolarHBondContact O-N 2.92Å |
| 805 | K | 59.9 | Low | 75.7 | Confident | 139 Ų | 139 | 75.5 Ų | 75.5 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | trans | -70.7 | 111.3 | 169.9 | -68.6 | 178.2 | -176.2 | 171.8 | 0 | 107.4 | R803 L807 | R803-K805 PolarHBondContact O-N 3.16Å; R803-K805 VanDerWaalsContact O-N 3.15Å; K805-L807 PolarHBondContact O-N 3.35Å | ||
| 806 | S | 51.8 | Low | 74.6 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 66% | 0.664 | 43% | 0.433 | S | S | * | . | trans | -55.2 | 122.9 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 110 | P804 C808 | P804-S806 PolarHBondContact O-N 2.92Å; S806-C808 VanDerWaalsContact C-N 3.26Å; S806-C808 PolarHBondContact O-N 3.27Å; S806-C808 PolarHBondContact OG-SG 3.32Å | ||
| 807 | L | 48.2 | Very low | 73.1 | Confident | 118 Ų | 118 | 87.6 Ų | 87.6 | 62% | 0.618 | 47% | 0.469 | S | S | * | . | trans | -73.6 | 80 | 177.8 | -65.5 | 173 | 0 | 0 | 0 | 110.1 | V630 I665 K805 | V630-L807 HydrophobicContact CG1-CD1 4.05Å; I665-L807 HydrophobicContact CG1-CD2 4.47Å; I665-L807 HydrophobicContact CG2-CD1 4.3Å; I665-L807 HydrophobicContact CG2-CG 4.49Å; K805-L807 PolarHBondContact O-N 3.35Å | ||
| 808 | C | 29.6 | Very low | 71.4 | Confident | 178 Ų | 178 | 95.5 Ų | 95.5 | 100% | 1.203 | 51% | 0.512 | S | S | * | . | trans | -80.6 | 0 | 176.1 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | S806 | S806-C808 VanDerWaalsContact C-N 3.26Å; S806-C808 PolarHBondContact O-N 3.27Å; S806-C808 PolarHBondContact OG-SG 3.32Å |
Retrieved 808 of 808 residues in 164.1 ms
(Link to these results)