| 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 | Very low | 75.3 | Confident | 243 Ų | 243 | 132.9 Ų | 132.9 | 100% | 1.197 | 82% | 0.819 | S | S | * | * | 0 | 98.5 | 0 | -68.6 | -173.8 | -127.6 | 0 | 0 | 106.9 | |||||
| 2 | A | 49.8 | Very low | 76.8 | Confident | 105 Ų | 105 | 131.5 Ų | 131.5 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77 | 122.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||
| 3 | G | 59.3 | Low | 78.1 | Confident | 64 Ų | 64 | 129.8 Ų | 129.8 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 145.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V5 | G3-V5 PolarHBondContact O-N 2.85Š|
| 4 | D | 67.6 | Low | 78.7 | Confident | 172 Ų | 172 | 129.4 Ų | 129.4 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 120.7 | 173.5 | -72.3 | -39.5 | 0 | 0 | 0 | 110 | ||
| 5 | V | 78.2 | Confident | 79.4 | Confident | 139 Ų | 139 | 126.9 Ų | 126.9 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | -111 | 119.5 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | G3 | G3-V5 PolarHBondContact O-N 2.85Š| ||
| 6 | E | 76.5 | Confident | 80.2 | Confident | 192 Ų | 192 | 123.9 Ų | 123.9 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | trans | -99.9 | 132.1 | 170.3 | -69.5 | -172.2 | 164.3 | 0 | 0 | 110.5 | ||||
| 7 | G | 84.9 | Confident | 80.9 | Confident | 83 Ų | 83 | 120.6 Ų | 120.6 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | -106.2 | 129.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | F | 91.3 | Very high | 81.4 | Confident | 184 Ų | 184 | 116.4 Ų | 116.4 | 81% | 0.807 | 70% | 0.701 | S | S | * | * | trans | -104.3 | 131.9 | 173.3 | 172.1 | -103.7 | 0 | 0 | 0 | 110.7 | ||||
| 9 | S | 89.6 | Confident | 82 | Confident | 114 Ų | 114 | 112.5 Ų | 112.5 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | trans | -124.1 | 119.2 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 10 | S | 92.5 | Very high | 82.6 | Confident | 47 Ų | 47 | 108.5 Ų | 108.5 | 33% | 0.329 | 67% | 0.665 | S | S | . | * | trans | -84.3 | 127.6 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | I12 | S10-I12 VanDerWaalsContact C-N 3.3Å; S10-I12 PolarHBondContact O-N 3.12Å; S10-I12 WeakPolarHBondContact OG-CG1 3.27Å; S10-I12 PolarHBondContact OG-N 2.87Å | ||
| 11 | S | 92.2 | Very high | 83.1 | Confident | 119 Ų | 119 | 106 Ų | 106 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -11.5 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 12 | I | 94 | Very high | 85.4 | Confident | 116 Ų | 116 | 98.1 Ų | 98.1 | 60% | 0.595 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -7.3 | -177.3 | 62.1 | 167.5 | 0 | 0 | 0 | 113.5 | S10 D14 T15 S16 | S10-I12 VanDerWaalsContact C-N 3.3Å; S10-I12 PolarHBondContact O-N 3.12Å; S10-I12 WeakPolarHBondContact OG-CG1 3.27Å; S10-I12 PolarHBondContact OG-N 2.87Å; I12-D14 PolarHBondContact O-N 3.17Å; I12-T15 PolarHBondContact O-N 3.45Å; I12-S16 WeakPolarHBondContact O-CB 3.09Å; I12-S16 PolarHBondContact O-N 3.32Å |
| 13 | H | 93 | Very high | 87.6 | Confident | 109 Ų | 109 | 95 Ų | 95 | 51% | 0.505 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -55.5 | -53.2 | -172.3 | 173.1 | -92.1 | 0 | 0 | 0 | 112.1 | T15 S16 V17 | H13-T15 VanDerWaalsContact C-N 3.33Å; H13-T15 PolarHBondContact O-N 3.26Å; H13-S16 WeakPolarHBondContact O-CB 3.43Å; H13-S16 PolarHBondContact O-N 3.21Å; H13-V17 WeakPolarHBondContact O-CG2 3.32Å; H13-V17 PolarHBondContact O-N 3.41Å |
| 14 | D | 87.4 | Confident | 89.4 | Confident | 124 Ų | 124 | 94.3 Ų | 94.3 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.4 | -37 | -174.6 | -58.7 | -16.9 | 0 | 0 | 0 | 112 | I12 S16 V17 S18 | I12-D14 PolarHBondContact O-N 3.17Å; D14-S16 VanDerWaalsContact C-N 3.35Å; D14-V17 PolarHBondContact O-N 2.59Å; D14-S18 PolarHBondContact O-N 2.97Å; D14-S18 PolarHBondContact O-OG 3.26Å |
| 15 | T | 89.4 | Confident | 90.7 | Very high | 92 Ų | 92 | 89.3 Ų | 89.3 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | 173.1 | -47.6 | 0 | 0 | 0 | 0 | 111.4 | I12 H13 S18 A19 | I12-T15 PolarHBondContact O-N 3.45Å; H13-T15 VanDerWaalsContact C-N 3.33Å; H13-T15 PolarHBondContact O-N 3.26Å; T15-S18 WeakPolarHBondContact CA-OG 3.29Å; T15-S18 PolarHBondContact O-OG 3.02Å; T15-A19 VanDerWaalsContact O-CB 3.24Å; T15-A19 WeakPolarHBondContact O-CB 3.29Å; T15-A19 PolarHBondContact O-N 3.47Å |
| 16 | S | 92.3 | Very high | 91.5 | Very high | 80 Ų | 80 | 88.7 Ų | 88.7 | 56% | 0.559 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 177 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | I12 H13 D14 A19 G20 | I12-S16 WeakPolarHBondContact O-CB 3.09Å; I12-S16 PolarHBondContact O-N 3.32Å; H13-S16 WeakPolarHBondContact O-CB 3.43Å; H13-S16 PolarHBondContact O-N 3.21Å; D14-S16 VanDerWaalsContact C-N 3.35Å; S16-A19 PolarHBondContact O-N 2.88Å; S16-G20 PolarHBondContact O-N 2.92Å |
| 17 | V | 91.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 86 Ų | 86 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 178.1 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | H13 D14 A19 G20 F21 | H13-V17 WeakPolarHBondContact O-CG2 3.32Å; H13-V17 PolarHBondContact O-N 3.41Å; D14-V17 PolarHBondContact O-N 2.59Å; V17-A19 PolarHBondContact O-N 3.39Å; V17-G20 PolarHBondContact O-N 2.97Å; V17-F21 HydrophobicContact CG1-CD2 4.04Å; V17-F21 HydrophobicContact CG1-CE2 4.04Å; V17-F21 PolarHBondContact O-N 2.79Å |
| 18 | S | 89.4 | Confident | 92.8 | Very high | 46 Ų | 46 | 84 Ų | 84 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 177.3 | 58.2 | 0 | 0 | 0 | 0 | 113 | D14 T15 R22 | D14-S18 PolarHBondContact O-N 2.97Å; D14-S18 PolarHBondContact O-OG 3.26Å; T15-S18 WeakPolarHBondContact CA-OG 3.29Å; T15-S18 PolarHBondContact O-OG 3.02Å; S18-R22 WeakPolarHBondContact O-CG 3.48Å; S18-R22 PolarHBondContact O-N 2.78Å; S18-R22 PolarHBondContact O-NE 2.97Å; S18-R22 VanDerWaalsContact O-NE 3.13Å |
| 19 | A | 92.5 | Very high | 93 | Very high | 41 Ų | 41 | 79.1 Ų | 79.1 | 34% | 0.339 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T15 S16 V17 R22 A23 | T15-A19 VanDerWaalsContact O-CB 3.24Å; T15-A19 WeakPolarHBondContact O-CB 3.29Å; T15-A19 PolarHBondContact O-N 3.47Å; S16-A19 PolarHBondContact O-N 2.88Å; V17-A19 PolarHBondContact O-N 3.39Å; A19-R22 PolarHBondContact O-N 2.9Å; A19-A23 PolarHBondContact O-N 3.48Å |
| 20 | G | 94.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 80 Ų | 80 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | S16 V17 R22 A23 L24 | S16-G20 PolarHBondContact O-N 2.92Å; V17-G20 PolarHBondContact O-N 2.97Å; G20-R22 VanDerWaalsContact C-N 3.28Å; G20-R22 PolarHBondContact O-N 3.29Å; G20-A23 PolarHBondContact O-N 3.45Å; G20-L24 WeakPolarHBondContact O-CG 3.5Å; G20-L24 PolarHBondContact O-N 2.89Å |
| 21 | F | 94.2 | Very high | 93.3 | Very high | 57 Ų | 57 | 79.6 Ų | 79.6 | 25% | 0.25 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62 | -34.8 | 176 | -86.8 | -72.8 | 0 | 0 | 0 | 113.1 | V17 Y25 H45 L48 | V17-F21 HydrophobicContact CG1-CD2 4.04Å; V17-F21 HydrophobicContact CG1-CE2 4.04Å; V17-F21 PolarHBondContact O-N 2.79Å; F21-Y25 WeakPolarHBondContact O-CB 3.45Å; F21-Y25 PolarHBondContact O-N 3.32Å; F21-Y25 VanDerWaalsContact O-N 3.07Å; F21-H45 HydrophobicContact CD1-CB 4.35Å; F21-H45 HydrophobicContact CE1-CB 4.21Å; F21-L48 HydrophobicContact CB-CD1 4.37Å; F21-L48 HydrophobicContact CB-CD2 4.47Å; F21-L48 HydrophobicContact CD1-CB 4.23Å; F21-L48 HydrophobicContact CD2-CD1 4.35Å; F21-L48 HydrophobicContact CE1-CB 4.38Å; F21-L48 HydrophobicContact CG-CD1 4.22Å |
| 22 | R | 94.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 77.4 Ų | 77.4 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64 | -48.7 | 173.6 | -78 | 179.3 | -81 | 160.5 | -7.2 | 112.1 | S18 A19 G20 L24 Y25 E26 Y90 Y91 | S18-R22 WeakPolarHBondContact O-CG 3.48Å; S18-R22 PolarHBondContact O-N 2.78Å; S18-R22 PolarHBondContact O-NE 2.97Å; S18-R22 VanDerWaalsContact O-NE 3.13Å; A19-R22 PolarHBondContact O-N 2.9Å; G20-R22 VanDerWaalsContact C-N 3.28Å; G20-R22 PolarHBondContact O-N 3.29Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-L24 PolarHBondContact O-N 3.31Å; R22-Y25 WeakPolarHBondContact O-CB 3.28Å; R22-Y25 PolarHBondContact O-N 2.78Å; R22-E26 WeakPolarHBondContact O-CG 3.4Å; R22-E26 PolarHBondContact O-N 3.45Å; R22-Y90 WeakPolarHBondContact CD-O 3.46Å; R22-Y90 WeakPolarHBondContact CG-O 3.08Å; R22-Y91 HydrophobicContact CG-CD1 4.37Å; R22-Y91 HydrophobicContact CG-CE1 4.38Å |
| 23 | A | 95.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 72 Ų | 72 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A19 G20 Y25 E26 E27 | A19-A23 PolarHBondContact O-N 3.48Å; G20-A23 PolarHBondContact O-N 3.45Å; A23-Y25 VanDerWaalsContact C-N 3.3Å; A23-Y25 PolarHBondContact O-N 2.9Å; A23-E26 PolarHBondContact O-N 3.45Å; A23-E27 WeakPolarHBondContact O-CB 3.5Å; A23-E27 WeakPolarHBondContact O-CG 3.13Å; A23-E27 PolarHBondContact O-N 3.08Å |
| 24 | L | 96.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 176.2 | -70.1 | 172.3 | 0 | 0 | 0 | 112.5 | G20 R22 G28 L29 L30 | G20-L24 WeakPolarHBondContact O-CG 3.5Å; G20-L24 PolarHBondContact O-N 2.89Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-L24 PolarHBondContact O-N 3.31Å; L24-G28 PolarHBondContact O-N 2.85Å; L24-G28 VanDerWaalsContact O-N 3.08Å; L24-L29 HydrophobicContact CD2-CB 3.88Å; L24-L29 HydrophobicContact CD2-CD1 4.31Å; L24-L29 PolarHBondContact O-N 3.26Å; L24-L30 HydrophobicContact CD1-CD1 4.14Å; L24-L30 HydrophobicContact CD2-CD1 4.12Å |
| 25 | Y | 95.8 | Very high | 94.1 | Very high | 66 Ų | 66 | 62 Ų | 62 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 177.7 | 179.5 | -108.4 | 0 | 0 | 0 | 112.5 | F21 R22 A23 E27 G28 L31 Q43 Y90 | F21-Y25 WeakPolarHBondContact O-CB 3.45Å; F21-Y25 PolarHBondContact O-N 3.32Å; F21-Y25 VanDerWaalsContact O-N 3.07Å; R22-Y25 WeakPolarHBondContact O-CB 3.28Å; R22-Y25 PolarHBondContact O-N 2.78Å; A23-Y25 VanDerWaalsContact C-N 3.3Å; A23-Y25 PolarHBondContact O-N 2.9Å; Y25-E27 VanDerWaalsContact C-N 3.31Å; Y25-E27 PolarHBondContact O-N 3.18Å; Y25-G28 PolarHBondContact O-N 3.34Å; Y25-L31 HydrophobicContact CD2-CD2 4.02Å; Y25-Q43 WeakPolarHBondContact CE2-O 3.45Å; Y25-Y90 HydrophobicContact CD1-CD1 4.21Å; Y25-Y90 HydrophobicContact CD1-CD2 4.26Å; Y25-Y90 HydrophobicContact CD1-CE1 4.4Å; Y25-Y90 HydrophobicContact CD1-CE2 4.43Å; Y25-Y90 HydrophobicContact CD1-CG 4.15Å; Y25-Y90 HydrophobicContact CD2-CD1 4.38Å; Y25-Y90 HydrophobicContact CD2-CD2 4.23Å; Y25-Y90 AromaticContact CD2-CE1 3.78Å; Y25-Y90 HydrophobicContact CD2-CE1 3.78Å; Y25-Y90 AromaticContact CD2-CE2 3.6Å; Y25-Y90 HydrophobicContact CD2-CE2 3.6Å; Y25-Y90 AromaticContact CD2-CZ 3.33Å; Y25-Y90 WeakPolarHBondContact CD2-OH 3.4Å; Y25-Y90 HydrophobicContact CE1-CD2 4.32Å; Y25-Y90 HydrophobicContact CE2-CD2 4.28Å; Y25-Y90 AromaticContact CE2-CE2 3.7Å; Y25-Y90 HydrophobicContact CE2-CE2 3.7Å; Y25-Y90 AromaticContact CE2-CZ 3.93Å; Y25-Y90 AromaticContact CG-CD1 3.85Å; Y25-Y90 HydrophobicContact CG-CD1 3.85Å; Y25-Y90 HydrophobicContact CG-CD2 4.22Å; Y25-Y90 AromaticContact CG-CE1 3.61Å; Y25-Y90 HydrophobicContact CG-CE1 3.61Å; Y25-Y90 AromaticContact CG-CE2 3.98Å; Y25-Y90 HydrophobicContact CG-CE2 3.98Å; Y25-Y90 HydrophobicContact CG-CG 4.15Å; Y25-Y90 AromaticContact CG-CZ 3.67Å |
| 26 | E | 94.4 | Very high | 94.4 | Very high | 126 Ų | 126 | 58.2 Ų | 58.2 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.6 | -34.1 | 178.1 | -71.2 | 173.9 | 178.6 | 0 | 0 | 112.4 | R22 A23 G28 Y91 | R22-E26 WeakPolarHBondContact O-CG 3.4Å; R22-E26 PolarHBondContact O-N 3.45Å; A23-E26 PolarHBondContact O-N 3.45Å; E26-G28 VanDerWaalsContact C-N 3.34Å; E26-Y91 WeakPolarHBondContact CG-OH 3.43Å; E26-Y91 WeakPolarHBondContact OE1-CE1 3.44Å; E26-Y91 PolarHBondContact OE1-OH 2.93Å |
| 27 | E | 95.8 | Very high | 94.6 | Very high | 135 Ų | 135 | 54.4 Ų | 54.4 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -83.9 | -7.1 | 177 | -67.2 | 177.7 | -167.1 | 0 | 0 | 113.6 | A23 Y25 L29 | A23-E27 WeakPolarHBondContact O-CB 3.5Å; A23-E27 WeakPolarHBondContact O-CG 3.13Å; A23-E27 PolarHBondContact O-N 3.08Å; Y25-E27 VanDerWaalsContact C-N 3.31Å; Y25-E27 PolarHBondContact O-N 3.18Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 HydrophobicContact CB-CD1 3.98Å; E27-L29 HydrophobicContact CB-CG 3.88Å; E27-L29 PolarHBondContact O-N 2.7Å; E27-L29 WeakPolarHBondContact OE2-CD1 3.42Å |
| 28 | G | 94.5 | Very high | 94.7 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 24.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | L24 Y25 E26 | L24-G28 PolarHBondContact O-N 2.85Å; L24-G28 VanDerWaalsContact O-N 3.08Å; Y25-G28 PolarHBondContact O-N 3.34Å; E26-G28 VanDerWaalsContact C-N 3.34Å |
| 29 | L | 94.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | trans | -96.7 | 144.3 | -175.1 | -63.5 | 179.4 | 0 | 0 | 0 | 111.4 | L24 E27 L31 H45 | L24-L29 HydrophobicContact CD2-CB 3.88Å; L24-L29 HydrophobicContact CD2-CD1 4.31Å; L24-L29 PolarHBondContact O-N 3.26Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 HydrophobicContact CB-CD1 3.98Å; E27-L29 HydrophobicContact CB-CG 3.88Å; E27-L29 PolarHBondContact O-N 2.7Å; E27-L29 WeakPolarHBondContact OE2-CD1 3.42Å; L29-L31 PolarHBondContact O-N 3.15Å; L29-L31 VanDerWaalsContact O-N 3.1Å; L29-H45 PolarHBondContact O-NE2 3.24Å; L29-H45 VanDerWaalsContact O-NE2 3.08Å | ||
| 30 | L | 93.7 | Very high | 95 | Very high | 132 Ų | 132 | 65.3 Ų | 65.3 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 58.3 | 21.2 | 173.6 | -54.7 | 177.2 | 0 | 0 | 0 | 115.3 | L24 D32 H45 | L24-L30 HydrophobicContact CD1-CD1 4.14Å; L24-L30 HydrophobicContact CD2-CD1 4.12Å; L30-D32 PolarHBondContact O-N 3.27Å; L30-H45 PolarHBondContact O-CD2 2.94Å |
| 31 | L | 95.2 | Very high | 95.2 | Very high | 38 Ų | 38 | 69.6 Ų | 69.6 | 20% | 0.199 | 36% | 0.355 | C | S | . | . | trans | -72.5 | 113.1 | 173.8 | -55.7 | 175.9 | 0 | 0 | 0 | 109.9 | Y25 L29 Q43 H45 | Y25-L31 HydrophobicContact CD2-CD2 4.02Å; L29-L31 PolarHBondContact O-N 3.15Å; L29-L31 VanDerWaalsContact O-N 3.1Å; L31-Q43 HydrophobicContact CB-CB 4.16Å; L31-Q43 HydrophobicContact CD1-CB 3.6Å; L31-Q43 HydrophobicContact CG-CB 4.4Å; L31-H45 VanDerWaalsContact CD2-CE1 3.4Å; L31-H45 WeakPolarHBondContact CD2-CE1 3.33Å | ||
| 32 | D | 94.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 68.1 Ų | 68.1 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | trans | -112.1 | 8.8 | -169.3 | 62.6 | -10 | 0 | 0 | 0 | 113.2 | L30 A44 H45 K46 | L30-D32 PolarHBondContact O-N 3.27Å; D32-A44 PolarHBondContact N-O 3.08Å; D32-A44 VanDerWaalsContact N-O 3.15Å; D32-H45 VanDerWaalsContact OD1-CA 3.27Å; D32-H45 WeakPolarHBondContact OD1-CA 3.41Å; D32-K46 VanDerWaalsContact O-CE 3.29Å; D32-K46 WeakPolarHBondContact O-CE 3.26Å; D32-K46 PolarHBondContact OD1-N 3.2Å | ||
| 33 | V | 95.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.018 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 144.1 | 170.4 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | L35 Q43 A44 K46 L49 F60 I72 | V33-L35 HydrophobicContact CG2-CD2 3.89Å; V33-L35 HydrophobicContact CG2-CG 4.41Å; V33-Q43 CarbonylContact O-C 3.58Å; V33-Q43 WeakPolarHBondContact O-CA 3.2Å; V33-A44 HydrophobicContact CG1-CB 4.12Å; V33-A44 WeakPolarHBondContact CG1-O 3.41Å; V33-A44 PolarHBondContact N-O 2.9Å; V33-A44 PolarHBondContact O-N 2.94Å; V33-K46 HydrophobicContact CB-CD 4.38Å; V33-K46 HydrophobicContact CB-CG 3.74Å; V33-K46 HydrophobicContact CG1-CG 3.8Å; V33-L49 HydrophobicContact CG1-CD1 4.2Å; V33-F60 HydrophobicContact CG1-CZ 4.49Å; V33-F60 HydrophobicContact CG2-CE1 4.49Å; V33-F60 HydrophobicContact CG2-CZ 4.44Å; V33-I72 HydrophobicContact CG2-CD1 3.81Å; V33-I72 HydrophobicContact CG2-CG1 4.37Å |
| 34 | T | 96.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 113.2 | 168.2 | -56.5 | 0 | 0 | 0 | 0 | 109.9 | Q41 F42 Q43 D70 K71 I72 | T34-Q41 HydrophobicContact CG2-CB 3.98Å; T34-Q41 HydrophobicContact CG2-CG 4.43Å; T34-F42 CarbonylContact C-O 3.55Å; T34-F42 WeakPolarHBondContact CA-O 3.33Å; T34-Q43 HydrophobicContact CG2-CG 4.47Å; T34-D70 PolarHBondContact N-O 3.47Å; T34-K71 CarbonylContact O-C 3.57Å; T34-K71 VanDerWaalsContact O-CA 3.29Å; T34-K71 WeakPolarHBondContact O-CA 3.47Å; T34-I72 PolarHBondContact O-N 3.45Å |
| 35 | L | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.5 | 175.3 | -56.8 | 176.3 | 0 | 0 | 0 | 109.4 | V33 F42 L49 F56 I72 L74 F82 | V33-L35 HydrophobicContact CG2-CD2 3.89Å; V33-L35 HydrophobicContact CG2-CG 4.41Å; L35-F42 HydrophobicContact CB-CB 4.37Å; L35-F42 PolarHBondContact N-O 3.5Å; L35-F42 PolarHBondContact O-N 3.1Å; L35-L49 HydrophobicContact CD1-CD1 3.89Å; L35-F56 HydrophobicContact CD1-CE1 3.97Å; L35-F56 HydrophobicContact CD1-CZ 3.86Å; L35-F56 HydrophobicContact CD2-CE1 4.32Å; L35-I72 CarbonylContact C-O 3.57Å; L35-I72 WeakPolarHBondContact CA-O 3.21Å; L35-I72 HydrophobicContact CD2-CB 4.04Å; L35-I72 HydrophobicContact CD2-CD1 4.4Å; L35-I72 HydrophobicContact CD2-CG2 4.45Å; L35-L74 HydrophobicContact CB-CD1 4.34Å; L35-L74 HydrophobicContact CD1-CD1 4.16Å; L35-L74 HydrophobicContact CD2-CD1 4.18Å; L35-L74 HydrophobicContact CD2-CG 4.47Å; L35-L74 HydrophobicContact CG-CD1 4.46Å; L35-F82 HydrophobicContact CD1-CE1 3.83Å; L35-F82 HydrophobicContact CD1-CE2 4.33Å; L35-F82 HydrophobicContact CD1-CZ 3.35Å |
| 36 | V | 96.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 64.1 Ų | 64.1 | 9% | 0.085 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | H40 Q41 K71 I72 H73 L74 | V36-H40 WeakPolarHBondContact CA-O 3.38Å; V36-Q41 HydrophobicContact CG2-CG 4.44Å; V36-K71 HydrophobicContact CG2-CD 4.1Å; V36-K71 HydrophobicContact CG2-CG 3.67Å; V36-I72 PolarHBondContact N-O 2.81Å; V36-H73 WeakPolarHBondContact O-CA 3.48Å; V36-L74 PolarHBondContact O-N 2.98Å |
| 37 | I | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122.1 | -179.8 | -61.4 | 171.1 | 0 | 0 | 0 | 107.1 | D39 H40 F42 L74 L77 F82 | I37-D39 PolarHBondContact O-N 3.05Å; I37-H40 PolarHBondContact N-O 3.17Å; I37-H40 PolarHBondContact O-N 3.29Å; I37-F42 HydrophobicContact CB-CD2 4.48Å; I37-F42 HydrophobicContact CB-CE2 4.14Å; I37-F42 HydrophobicContact CD1-CD2 4.21Å; I37-F42 HydrophobicContact CD1-CE2 4.25Å; I37-L74 HydrophobicContact CD1-CB 4.48Å; I37-L74 HydrophobicContact CD1-CD1 4.2Å; I37-L74 HydrophobicContact CG1-CB 3.95Å; I37-L74 HydrophobicContact CG1-CD1 4.41Å; I37-L77 HydrophobicContact CD1-CB 4.37Å; I37-L77 HydrophobicContact CD1-CD1 4.06Å; I37-L77 HydrophobicContact CG2-CB 3.77Å; I37-L77 WeakPolarHBondContact CG2-O 3.47Å; I37-F82 HydrophobicContact CD1-CB 3.36Å; I37-F82 HydrophobicContact CD1-CD1 3.23Å; I37-F82 HydrophobicContact CD1-CD2 3.64Å; I37-F82 HydrophobicContact CD1-CE1 3.89Å; I37-F82 HydrophobicContact CD1-CE2 4.25Å; I37-F82 HydrophobicContact CD1-CG 3.08Å; I37-F82 HydrophobicContact CD1-CZ 4.36Å |
| 38 | E | 93.3 | Very high | 95.3 | Very high | 114 Ų | 114 | 55.1 Ų | 55.1 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | -125.7 | -168.2 | -58.7 | 172.1 | 144.4 | 0 | 0 | 109.6 | A79 | E38-A79 WeakPolarHBondContact OE2-CB 3.36Å; E38-A79 PolarHBondContact OE2-N 3.4Å |
| 39 | D | 92.3 | Very high | 95.4 | Very high | 161 Ų | 161 | 53 Ų | 53 | 86% | 0.861 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 7.4 | 177.2 | -61.5 | -44 | 0 | 0 | 0 | 113.4 | I37 | I37-D39 PolarHBondContact O-N 3.05Š|
| 40 | H | 95.9 | Very high | 95.4 | Very high | 107 Ų | 107 | 49.9 Ų | 49.9 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 148.4 | -175.5 | -62.7 | 81.6 | 0 | 0 | 0 | 112.1 | V36 I37 F42 A79 | V36-H40 WeakPolarHBondContact CA-O 3.38Å; I37-H40 PolarHBondContact N-O 3.17Å; I37-H40 PolarHBondContact O-N 3.29Å; H40-F42 HydrophobicContact CB-CE2 3.72Å; H40-F42 HydrophobicContact CB-CZ 4.1Å; H40-A79 HydrophobicContact CB-CB 3.89Å; H40-A79 VanDerWaalsContact ND1-CB 3.32Å; H40-A79 WeakPolarHBondContact ND1-CB 3.22Å |
| 41 | Q | 96.7 | Very high | 95.3 | Very high | 123 Ų | 123 | 48.4 Ų | 48.4 | 58% | 0.575 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.3 | 177.5 | -61.5 | -174.5 | 34.2 | 0 | 0 | 109.8 | T34 V36 | T34-Q41 HydrophobicContact CG2-CB 3.98Å; T34-Q41 HydrophobicContact CG2-CG 4.43Å; V36-Q41 HydrophobicContact CG2-CG 4.44Å |
| 42 | F | 97.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 51 Ų | 51 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 112.4 | 179.6 | -61.4 | -89.1 | 0 | 0 | 0 | 109 | T34 L35 I37 H40 A79 F82 L86 | T34-F42 CarbonylContact C-O 3.55Å; T34-F42 WeakPolarHBondContact CA-O 3.33Å; L35-F42 HydrophobicContact CB-CB 4.37Å; L35-F42 PolarHBondContact N-O 3.5Å; L35-F42 PolarHBondContact O-N 3.1Å; I37-F42 HydrophobicContact CB-CD2 4.48Å; I37-F42 HydrophobicContact CB-CE2 4.14Å; I37-F42 HydrophobicContact CD1-CD2 4.21Å; I37-F42 HydrophobicContact CD1-CE2 4.25Å; H40-F42 HydrophobicContact CB-CE2 3.72Å; H40-F42 HydrophobicContact CB-CZ 4.1Å; F42-A79 HydrophobicContact CE2-CB 4.26Å; F42-A79 HydrophobicContact CZ-CB 4.09Å; F42-F82 HydrophobicContact CB-CD1 4.43Å; F42-F82 HydrophobicContact CB-CE1 4.05Å; F42-F82 HydrophobicContact CD1-CD1 4.19Å; F42-F82 HydrophobicContact CD1-CE1 4.5Å; F42-F82 AromaticContact CD2-CD1 3.88Å; F42-F82 HydrophobicContact CD2-CD1 3.88Å; F42-F82 HydrophobicContact CD2-CE1 4.28Å; F42-F82 HydrophobicContact CE1-CD1 4.43Å; F42-F82 HydrophobicContact CE2-CD1 4.15Å; F42-F82 AromaticContact CG-CD1 3.91Å; F42-F82 HydrophobicContact CG-CD1 3.91Å; F42-F82 HydrophobicContact CG-CE1 4.03Å; F42-F82 HydrophobicContact CZ-CD1 4.41Å; F42-L86 HydrophobicContact CB-CD2 4.04Å; F42-L86 HydrophobicContact CD1-CD2 3.94Å; F42-L86 HydrophobicContact CG-CD2 4.38Å |
| 43 | Q | 96.6 | Very high | 95.3 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 141.3 | 173.2 | -63 | -166.6 | -52.2 | 0 | 0 | 109.9 | Y25 L31 V33 T34 | Y25-Q43 WeakPolarHBondContact CE2-O 3.45Å; L31-Q43 HydrophobicContact CB-CB 4.16Å; L31-Q43 HydrophobicContact CD1-CB 3.6Å; L31-Q43 HydrophobicContact CG-CB 4.4Å; V33-Q43 CarbonylContact O-C 3.58Å; V33-Q43 WeakPolarHBondContact O-CA 3.2Å; T34-Q43 HydrophobicContact CG2-CG 4.47Å |
| 44 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D32 V33 L49 L86 Y90 | D32-A44 PolarHBondContact N-O 3.08Å; D32-A44 VanDerWaalsContact N-O 3.15Å; V33-A44 HydrophobicContact CG1-CB 4.12Å; V33-A44 WeakPolarHBondContact CG1-O 3.41Å; V33-A44 PolarHBondContact N-O 2.9Å; V33-A44 PolarHBondContact O-N 2.94Å; A44-L49 HydrophobicContact CB-CD1 3.78Å; A44-L49 HydrophobicContact CB-CD2 4.41Å; A44-L49 HydrophobicContact CB-CG 4.17Å; A44-L86 HydrophobicContact CB-CD1 4.24Å; A44-Y90 WeakPolarHBondContact CA-OH 3.23Å |
| 45 | H | 96.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | trans | -96.3 | 118.3 | 171.8 | -56.6 | 94.2 | 0 | 0 | 0 | 110.5 | F21 L29 L30 L31 D32 A47 L48 L49 Y90 | F21-H45 HydrophobicContact CD1-CB 4.35Å; F21-H45 HydrophobicContact CE1-CB 4.21Å; L29-H45 PolarHBondContact O-NE2 3.24Å; L29-H45 VanDerWaalsContact O-NE2 3.08Å; L30-H45 PolarHBondContact O-CD2 2.94Å; L31-H45 VanDerWaalsContact CD2-CE1 3.4Å; L31-H45 WeakPolarHBondContact CD2-CE1 3.33Å; D32-H45 VanDerWaalsContact OD1-CA 3.27Å; D32-H45 WeakPolarHBondContact OD1-CA 3.41Å; H45-A47 PolarHBondContact O-N 2.96Å; H45-L48 HydrophobicContact CB-CB 4.1Å; H45-L48 PolarHBondContact O-N 2.92Å; H45-L49 WeakPolarHBondContact O-CG 3.35Å; H45-L49 PolarHBondContact O-N 3.06Å; H45-L49 VanDerWaalsContact O-N 3.08Å; H45-Y90 PolarHBondContact N-OH 3.48Å; H45-Y90 AromaticContact ND1-CE1 3.56Å; H45-Y90 AromaticContact ND1-CZ 3.61Å; H45-Y90 PolarHBondContact ND1-OH 3.36Å | ||
| 46 | K | 94.1 | Very high | 95.1 | Very high | 34 Ų | 34 | 53 Ų | 53 | 15% | 0.148 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.7 | -43.3 | 176.1 | -72 | -177.4 | 175.7 | 176.4 | 0 | 111.1 | D32 V33 L49 A50 F60 R67 Q69 | D32-K46 VanDerWaalsContact O-CE 3.29Å; D32-K46 WeakPolarHBondContact O-CE 3.26Å; D32-K46 PolarHBondContact OD1-N 3.2Å; V33-K46 HydrophobicContact CB-CD 4.38Å; V33-K46 HydrophobicContact CB-CG 3.74Å; V33-K46 HydrophobicContact CG1-CG 3.8Å; K46-L49 PolarHBondContact O-N 3.39Å; K46-A50 VanDerWaalsContact O-CB 3.23Å; K46-A50 WeakPolarHBondContact O-CB 3.4Å; K46-A50 PolarHBondContact O-N 2.58Å; K46-F60 HydrophobicContact CB-CD2 3.78Å; K46-F60 HydrophobicContact CB-CE2 4Å; K46-F60 HydrophobicContact CB-CG 4.19Å; K46-F60 HydrophobicContact CD-CD1 4.22Å; K46-F60 HydrophobicContact CD-CE1 4.48Å; K46-F60 HydrophobicContact CD-CG 4.34Å; K46-F60 HydrophobicContact CG-CD1 4.23Å; K46-F60 HydrophobicContact CG-CD2 4.04Å; K46-F60 HydrophobicContact CG-CE1 4.19Å; K46-F60 HydrophobicContact CG-CE2 4Å; K46-F60 HydrophobicContact CG-CG 4.17Å; K46-F60 HydrophobicContact CG-CZ 4.08Å; K46-R67 PolarHBondContact NZ-O 3.01Å; K46-Q69 PolarHBondContact NZ-O 2.99Å |
| 47 | A | 93.3 | Very high | 95 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H45 A50 T51 | H45-A47 PolarHBondContact O-N 2.96Å; A47-A50 PolarHBondContact O-N 2.82Å; A47-T51 VanDerWaalsContact O-CG2 3.26Å; A47-T51 WeakPolarHBondContact O-CG2 3.27Å; A47-T51 PolarHBondContact O-N 3.15Å; A47-T51 PolarHBondContact O-OG1 3.32Å |
| 48 | L | 94.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 178.8 | -175.2 | 73.5 | 0 | 0 | 0 | 111.1 | F21 H45 A50 T51 Q52 Y90 | F21-L48 HydrophobicContact CB-CD1 4.37Å; F21-L48 HydrophobicContact CB-CD2 4.47Å; F21-L48 HydrophobicContact CD1-CB 4.23Å; F21-L48 HydrophobicContact CD2-CD1 4.35Å; F21-L48 HydrophobicContact CE1-CB 4.38Å; F21-L48 HydrophobicContact CG-CD1 4.22Å; H45-L48 HydrophobicContact CB-CB 4.1Å; H45-L48 PolarHBondContact O-N 2.92Å; L48-A50 VanDerWaalsContact C-N 3.3Å; L48-A50 PolarHBondContact O-N 2.96Å; L48-T51 PolarHBondContact O-N 3.28Å; L48-T51 VanDerWaalsContact O-N 3.08Å; L48-T51 PolarHBondContact O-OG1 3.06Å; L48-Q52 PolarHBondContact O-N 3.4Å; L48-Q52 VanDerWaalsContact O-N 3.15Å; L48-Y90 HydrophobicContact CD2-CD1 3.28Å; L48-Y90 HydrophobicContact CD2-CD2 4Å; L48-Y90 HydrophobicContact CD2-CE1 3.14Å; L48-Y90 HydrophobicContact CD2-CE2 3.91Å; L48-Y90 HydrophobicContact CD2-CG 3.71Å; L48-Y90 VanDerWaalsContact CD2-CZ 3.49Å |
| 49 | L | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 178.6 | -65.8 | -176.9 | 0 | 0 | 0 | 111.6 | V33 L35 A44 H45 K46 T51 Q52 S53 F56 F60 L86 M89 | V33-L49 HydrophobicContact CG1-CD1 4.2Å; L35-L49 HydrophobicContact CD1-CD1 3.89Å; A44-L49 HydrophobicContact CB-CD1 3.78Å; A44-L49 HydrophobicContact CB-CD2 4.41Å; A44-L49 HydrophobicContact CB-CG 4.17Å; H45-L49 WeakPolarHBondContact O-CG 3.35Å; H45-L49 PolarHBondContact O-N 3.06Å; H45-L49 VanDerWaalsContact O-N 3.08Å; K46-L49 PolarHBondContact O-N 3.39Å; L49-T51 VanDerWaalsContact C-N 3.3Å; L49-T51 PolarHBondContact O-N 3.08Å; L49-Q52 PolarHBondContact O-N 2.67Å; L49-S53 WeakPolarHBondContact O-CB 3.21Å; L49-S53 PolarHBondContact O-N 2.83Å; L49-F56 HydrophobicContact CB-CB 3.91Å; L49-F56 HydrophobicContact CB-CD2 3.92Å; L49-F56 HydrophobicContact CB-CG 3.91Å; L49-F56 HydrophobicContact CD1-CD1 4.45Å; L49-F56 HydrophobicContact CD1-CD2 4.47Å; L49-F56 HydrophobicContact CD1-CG 4.45Å; L49-F56 HydrophobicContact CD2-CD2 4.39Å; L49-F56 HydrophobicContact CD2-CE2 4.4Å; L49-F56 HydrophobicContact CG-CD2 4.49Å; L49-F60 HydrophobicContact CB-CE2 3.95Å; L49-F60 HydrophobicContact CD1-CE2 4.08Å; L49-F60 HydrophobicContact CD1-CZ 4.28Å; L49-L86 HydrophobicContact CD2-CD1 3.74Å; L49-M89 HydrophobicContact CD2-SD 3.31Å; L49-M89 WeakPolarHBondContact CD2-SD 3.4Å |
| 50 | A | 94.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -26.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K46 A47 L48 R57 F60 | K46-A50 VanDerWaalsContact O-CB 3.23Å; K46-A50 WeakPolarHBondContact O-CB 3.4Å; K46-A50 PolarHBondContact O-N 2.58Å; A47-A50 PolarHBondContact O-N 2.82Å; L48-A50 VanDerWaalsContact C-N 3.3Å; L48-A50 PolarHBondContact O-N 2.96Å; A50-R57 HydrophobicContact CB-CB 4.24Å; A50-R57 HydrophobicContact CB-CG 4.42Å; A50-R57 WeakPolarHBondContact O-CB 3.45Å; A50-F60 HydrophobicContact CB-CD2 4.24Å |
| 51 | T | 92.8 | Very high | 94.4 | Very high | 101 Ų | 101 | 51.2 Ų | 51.2 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -76.1 | -31.7 | 174.7 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | A47 L48 L49 | A47-T51 VanDerWaalsContact O-CG2 3.26Å; A47-T51 WeakPolarHBondContact O-CG2 3.27Å; A47-T51 PolarHBondContact O-N 3.15Å; A47-T51 PolarHBondContact O-OG1 3.32Å; L48-T51 PolarHBondContact O-N 3.28Å; L48-T51 VanDerWaalsContact O-N 3.08Å; L48-T51 PolarHBondContact O-OG1 3.06Å; L49-T51 VanDerWaalsContact C-N 3.3Å; L49-T51 PolarHBondContact O-N 3.08Å |
| 52 | Q | 93.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 43% | 0.425 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -93.1 | -24.7 | -174.9 | -64.4 | -59.1 | -53.4 | 0 | 0 | 113 | L48 L49 M89 L113 | L48-Q52 PolarHBondContact O-N 3.4Å; L48-Q52 VanDerWaalsContact O-N 3.15Å; L49-Q52 PolarHBondContact O-N 2.67Å; Q52-M89 HydrophobicContact CB-CB 4.5Å; Q52-M89 HydrophobicContact CB-CG 4.06Å; Q52-M89 HydrophobicContact CB-SD 4.41Å; Q52-M89 HydrophobicContact CG-CB 4.37Å; Q52-M89 HydrophobicContact CG-CG 4.46Å; Q52-L113 HydrophobicContact CB-CD2 4.5Å; Q52-L113 WeakPolarHBondContact O-CD2 3.32Å |
| 53 | S | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -134.9 | 120.5 | -171.5 | 163.8 | 0 | 0 | 0 | 0 | 110.9 | L49 Y55 F56 R57 V111 | L49-S53 WeakPolarHBondContact O-CB 3.21Å; L49-S53 PolarHBondContact O-N 2.83Å; S53-Y55 PolarHBondContact O-N 3.37Å; S53-Y55 WeakPolarHBondContact OG-CB 3.43Å; S53-Y55 PolarHBondContact OG-N 3.22Å; S53-F56 PolarHBondContact O-N 3.07Å; S53-F56 WeakPolarHBondContact OG-CD2 3.5Å; S53-F56 PolarHBondContact OG-N 3.05Å; S53-R57 WeakPolarHBondContact O-CB 3.31Å; S53-R57 PolarHBondContact O-N 3.46Å; S53-V111 WeakPolarHBondContact CB-O 3.21Å; S53-V111 PolarHBondContact OG-O 3.34Å | ||
| 54 | D | 93.3 | Very high | 92.3 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -32 | 174.8 | -76.3 | -39.1 | 0 | 0 | 0 | 112 | R57 I58 | D54-R57 WeakPolarHBondContact O-CB 3.47Å; D54-R57 PolarHBondContact O-N 3Å; D54-I58 WeakPolarHBondContact O-CB 3.43Å; D54-I58 VanDerWaalsContact O-CG1 3.28Å; D54-I58 WeakPolarHBondContact O-CG1 3.47Å; D54-I58 PolarHBondContact O-N 3.3Å |
| 55 | Y | 94.6 | Very high | 91.5 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.6 | -52.6 | 172.9 | 174.9 | -95.9 | 0 | 0 | 0 | 111.4 | S53 R57 I58 M59 L74 Y110 V111 | S53-Y55 PolarHBondContact O-N 3.37Å; S53-Y55 WeakPolarHBondContact OG-CB 3.43Å; S53-Y55 PolarHBondContact OG-N 3.22Å; Y55-R57 VanDerWaalsContact C-N 3.33Å; Y55-I58 PolarHBondContact O-N 2.98Å; Y55-M59 HydrophobicContact CD1-CE 4.3Å; Y55-M59 HydrophobicContact CE1-CE 3.32Å; Y55-M59 HydrophobicContact CE1-SD 4.49Å; Y55-M59 HydrophobicContact CE2-CE 4.37Å; Y55-M59 WeakPolarHBondContact O-CB 3.42Å; Y55-M59 PolarHBondContact O-N 3.18Å; Y55-M59 WeakPolarHBondContact OH-CE 3.38Å; Y55-L74 HydrophobicContact CE1-CD2 4.29Å; Y55-Y110 HydrophobicContact CE1-CD1 4.37Å; Y55-Y110 AromaticContact CE1-CE1 3.93Å; Y55-Y110 HydrophobicContact CE1-CE1 3.93Å; Y55-Y110 HydrophobicContact CE2-CE1 4.17Å; Y55-Y110 AromaticContact CZ-CE1 3.58Å; Y55-Y110 WeakPolarHBondContact OH-CE1 3.48Å; Y55-V111 HydrophobicContact CD1-CG1 4.41Å |
| 56 | F | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.4 | -33.7 | 177.7 | -74.2 | -56.2 | 0 | 0 | 0 | 112.2 | L35 L49 S53 I58 M59 F60 L74 F82 M89 V111 | L35-F56 HydrophobicContact CD1-CE1 3.97Å; L35-F56 HydrophobicContact CD1-CZ 3.86Å; L35-F56 HydrophobicContact CD2-CE1 4.32Å; L49-F56 HydrophobicContact CB-CB 3.91Å; L49-F56 HydrophobicContact CB-CD2 3.92Å; L49-F56 HydrophobicContact CB-CG 3.91Å; L49-F56 HydrophobicContact CD1-CD1 4.45Å; L49-F56 HydrophobicContact CD1-CD2 4.47Å; L49-F56 HydrophobicContact CD1-CG 4.45Å; L49-F56 HydrophobicContact CD2-CD2 4.39Å; L49-F56 HydrophobicContact CD2-CE2 4.4Å; L49-F56 HydrophobicContact CG-CD2 4.49Å; S53-F56 PolarHBondContact O-N 3.07Å; S53-F56 WeakPolarHBondContact OG-CD2 3.5Å; S53-F56 PolarHBondContact OG-N 3.05Å; F56-I58 PolarHBondContact O-N 3.22Å; F56-M59 HydrophobicContact CD1-SD 4.11Å; F56-M59 HydrophobicContact CE1-SD 4.34Å; F56-M59 PolarHBondContact O-N 3.08Å; F56-F60 HydrophobicContact CB-CD2 4.18Å; F56-F60 HydrophobicContact CB-CE2 3.82Å; F56-F60 AromaticContact CD1-CE2 3.88Å; F56-F60 HydrophobicContact CD1-CE2 3.88Å; F56-F60 AromaticContact CD1-CZ 3.75Å; F56-F60 HydrophobicContact CD1-CZ 3.75Å; F56-F60 HydrophobicContact CE1-CZ 4.44Å; F56-F60 HydrophobicContact CG-CE2 4.14Å; F56-F60 HydrophobicContact CG-CZ 4.46Å; F56-F60 WeakPolarHBondContact O-CB 3.38Å; F56-F60 WeakPolarHBondContact O-CD2 3.37Å; F56-F60 WeakPolarHBondContact O-CG 3.47Å; F56-F60 PolarHBondContact O-N 3.44Å; F56-L74 HydrophobicContact CE1-CD1 4.1Å; F56-L74 HydrophobicContact CZ-CD1 4.02Å; F56-F82 HydrophobicContact CE2-CE2 4.13Å; F56-F82 HydrophobicContact CE2-CZ 4.43Å; F56-F82 AromaticContact CZ-CE2 3.83Å; F56-F82 HydrophobicContact CZ-CE2 3.83Å; F56-F82 HydrophobicContact CZ-CZ 4.05Å; F56-M89 HydrophobicContact CD2-CE 4.06Å; F56-M89 HydrophobicContact CE2-CE 3.93Å; F56-V111 HydrophobicContact CE2-CB 4.05Å; F56-V111 HydrophobicContact CE2-CG1 3.66Å; F56-V111 HydrophobicContact CZ-CG1 3.92Å |
| 57 | R | 94.2 | Very high | 90.1 | Very high | 142 Ų | 142 | 65.2 Ų | 65.2 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 174.7 | -165.6 | 177.3 | 175 | -154.5 | -0.6 | 111 | A50 S53 D54 Y55 F60 T61 | A50-R57 HydrophobicContact CB-CB 4.24Å; A50-R57 HydrophobicContact CB-CG 4.42Å; A50-R57 WeakPolarHBondContact O-CB 3.45Å; S53-R57 WeakPolarHBondContact O-CB 3.31Å; S53-R57 PolarHBondContact O-N 3.46Å; D54-R57 WeakPolarHBondContact O-CB 3.47Å; D54-R57 PolarHBondContact O-N 3Å; Y55-R57 VanDerWaalsContact C-N 3.33Å; R57-F60 PolarHBondContact O-N 3.03Å; R57-T61 VanDerWaalsContact O-CB 3.32Å; R57-T61 WeakPolarHBondContact O-CB 3.47Å; R57-T61 WeakPolarHBondContact O-CG2 3.36Å; R57-T61 PolarHBondContact O-N 3.07Å; R57-T61 PolarHBondContact O-OG1 2.94Å |
| 58 | I | 93 | Very high | 89.7 | Confident | 92 Ų | 92 | 68.1 Ų | 68.1 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 177.3 | -67 | 166.3 | 0 | 0 | 0 | 109.7 | D54 Y55 F56 F60 T61 A62 | D54-I58 WeakPolarHBondContact O-CB 3.43Å; D54-I58 VanDerWaalsContact O-CG1 3.28Å; D54-I58 WeakPolarHBondContact O-CG1 3.47Å; D54-I58 PolarHBondContact O-N 3.3Å; Y55-I58 PolarHBondContact O-N 2.98Å; F56-I58 PolarHBondContact O-N 3.22Å; I58-F60 VanDerWaalsContact C-N 3.28Å; I58-F60 PolarHBondContact O-N 3.37Å; I58-T61 PolarHBondContact O-N 3.38Å; I58-A62 HydrophobicContact CG2-CB 3.99Å; I58-A62 WeakPolarHBondContact O-CB 3.45Å; I58-A62 PolarHBondContact O-N 3.18Å |
| 59 | M | 92.5 | Very high | 89.4 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.9 | -40 | 179.8 | -177.5 | -179.9 | -72.4 | 0 | 0 | 113.5 | Y55 F56 M64 E66 I72 L74 | Y55-M59 HydrophobicContact CD1-CE 4.3Å; Y55-M59 HydrophobicContact CE1-CE 3.32Å; Y55-M59 HydrophobicContact CE1-SD 4.49Å; Y55-M59 HydrophobicContact CE2-CE 4.37Å; Y55-M59 WeakPolarHBondContact O-CB 3.42Å; Y55-M59 PolarHBondContact O-N 3.18Å; Y55-M59 WeakPolarHBondContact OH-CE 3.38Å; F56-M59 HydrophobicContact CD1-SD 4.11Å; F56-M59 HydrophobicContact CE1-SD 4.34Å; F56-M59 PolarHBondContact O-N 3.08Å; M59-M64 HydrophobicContact CB-CE 4.08Å; M59-M64 HydrophobicContact CG-CE 4.29Å; M59-E66 HydrophobicContact CG-CB 3.72Å; M59-E66 HydrophobicContact CG-CG 4.35Å; M59-E66 HydrophobicContact SD-CB 4.28Å; M59-I72 HydrophobicContact SD-CD1 4.07Å; M59-I72 HydrophobicContact SD-CG2 4.18Å; M59-L74 HydrophobicContact CE-CD2 3.85Å |
| 60 | F | 92.8 | Very high | 89 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -95 | -16.1 | -175.7 | -56.8 | -35.1 | 0 | 0 | 0 | 114.5 | V33 K46 L49 A50 F56 R57 I58 R67 I72 | V33-F60 HydrophobicContact CG1-CZ 4.49Å; V33-F60 HydrophobicContact CG2-CE1 4.49Å; V33-F60 HydrophobicContact CG2-CZ 4.44Å; K46-F60 HydrophobicContact CB-CD2 3.78Å; K46-F60 HydrophobicContact CB-CE2 4Å; K46-F60 HydrophobicContact CB-CG 4.19Å; K46-F60 HydrophobicContact CD-CD1 4.22Å; K46-F60 HydrophobicContact CD-CE1 4.48Å; K46-F60 HydrophobicContact CD-CG 4.34Å; K46-F60 HydrophobicContact CG-CD1 4.23Å; K46-F60 HydrophobicContact CG-CD2 4.04Å; K46-F60 HydrophobicContact CG-CE1 4.19Å; K46-F60 HydrophobicContact CG-CE2 4Å; K46-F60 HydrophobicContact CG-CG 4.17Å; K46-F60 HydrophobicContact CG-CZ 4.08Å; L49-F60 HydrophobicContact CB-CE2 3.95Å; L49-F60 HydrophobicContact CD1-CE2 4.08Å; L49-F60 HydrophobicContact CD1-CZ 4.28Å; A50-F60 HydrophobicContact CB-CD2 4.24Å; F56-F60 HydrophobicContact CB-CD2 4.18Å; F56-F60 HydrophobicContact CB-CE2 3.82Å; F56-F60 AromaticContact CD1-CE2 3.88Å; F56-F60 HydrophobicContact CD1-CE2 3.88Å; F56-F60 AromaticContact CD1-CZ 3.75Å; F56-F60 HydrophobicContact CD1-CZ 3.75Å; F56-F60 HydrophobicContact CE1-CZ 4.44Å; F56-F60 HydrophobicContact CG-CE2 4.14Å; F56-F60 HydrophobicContact CG-CZ 4.46Å; F56-F60 WeakPolarHBondContact O-CB 3.38Å; F56-F60 WeakPolarHBondContact O-CD2 3.37Å; F56-F60 WeakPolarHBondContact O-CG 3.47Å; F56-F60 PolarHBondContact O-N 3.44Å; R57-F60 PolarHBondContact O-N 3.03Å; I58-F60 VanDerWaalsContact C-N 3.28Å; I58-F60 PolarHBondContact O-N 3.37Å; F60-R67 WeakPolarHBondContact O-CG 3.37Å; F60-I72 HydrophobicContact CE1-CD1 3.64Å; F60-I72 HydrophobicContact CZ-CD1 4.5Å |
| 61 | T | 88.8 | Confident | 88.9 | Confident | 100 Ų | 100 | 79.7 Ų | 79.7 | 61% | 0.613 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -116.3 | -22.8 | -176.3 | 67.2 | 0 | 0 | 0 | 0 | 114.4 | R57 I58 | R57-T61 VanDerWaalsContact O-CB 3.32Å; R57-T61 WeakPolarHBondContact O-CB 3.47Å; R57-T61 WeakPolarHBondContact O-CG2 3.36Å; R57-T61 PolarHBondContact O-N 3.07Å; R57-T61 PolarHBondContact O-OG1 2.94Å; I58-T61 PolarHBondContact O-N 3.38Å |
| 62 | A | 84.6 | Confident | 89 | Confident | 37 Ų | 37 | 75 Ų | 75 | 31% | 0.306 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -77.4 | 173.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I58 M64 | I58-A62 HydrophobicContact CG2-CB 3.99Å; I58-A62 WeakPolarHBondContact O-CB 3.45Å; I58-A62 PolarHBondContact O-N 3.18Å; A62-M64 HydrophobicContact CB-CG 4.05Å; A62-M64 PolarHBondContact O-N 3.46Å |
| 63 | D | 79.3 | Confident | 89 | Confident | 145 Ų | 145 | 76.6 Ų | 76.6 | 78% | 0.775 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -79.6 | 56.6 | 177.1 | -150.3 | 29.7 | 0 | 0 | 0 | 111.4 | R67 | D63-R67 IonicContact OD1-CZ 3.78Å; D63-R67 IonicContact OD1-NH1 2.64Å; D63-R67 PolarHBondContact OD1-NH1 2.9Å; D63-R67 IonicContact OD1-NH2 3.12Å; D63-R67 PolarHBondContact OD1-NH2 3.05Å; D63-R67 VanDerWaalsContact OD1-NH2 3.12Å |
| 64 | M | 80.7 | Confident | 88.8 | Confident | 67 Ų | 67 | 77 Ų | 77 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | trans | -97.1 | 146.2 | 178 | -65.6 | -107.2 | -82.6 | 0 | 0 | 109.4 | M59 A62 E66 R67 | M59-M64 HydrophobicContact CB-CE 4.08Å; M59-M64 HydrophobicContact CG-CE 4.29Å; A62-M64 HydrophobicContact CB-CG 4.05Å; A62-M64 PolarHBondContact O-N 3.46Å; M64-E66 PolarHBondContact O-N 3.42Å; M64-R67 VanDerWaalsContact O-CB 3.27Å; M64-R67 WeakPolarHBondContact O-CB 3.39Å; M64-R67 PolarHBondContact O-N 3.46Å | ||
| 65 | R | 79.8 | Confident | 88.7 | Confident | 201 Ų | 201 | 80.9 Ų | 80.9 | 76% | 0.758 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64 | -29.4 | -179.4 | -172.2 | -173.4 | 170.1 | -179.2 | -3.6 | 111.8 | R67 | R65-R67 PolarHBondContact O-N 3.27Š|
| 66 | E | 81.7 | Confident | 88.3 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -66.2 | -24.1 | -179.7 | -67.9 | 76 | -170.7 | 0 | 0 | 112.6 | M59 M64 D68 Q69 I72 | M59-E66 HydrophobicContact CG-CB 3.72Å; M59-E66 HydrophobicContact CG-CG 4.35Å; M59-E66 HydrophobicContact SD-CB 4.28Å; M64-E66 PolarHBondContact O-N 3.42Å; E66-D68 VanDerWaalsContact C-N 3.25Å; E66-D68 PolarHBondContact O-N 3.45Å; E66-Q69 PolarHBondContact O-N 2.79Å; E66-Q69 VanDerWaalsContact O-N 3.17Å; E66-I72 HydrophobicContact CB-CD1 4.03Å; E66-I72 HydrophobicContact CB-CG1 4.33Å; E66-I72 HydrophobicContact CG-CG2 4.09Å |
| 67 | R | 80.7 | Confident | 88.2 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -53.4 | -46.7 | 176.3 | 177.1 | -176.3 | 70.5 | -147.9 | -10.7 | 111.5 | K46 F60 D63 M64 R65 Q69 | K46-R67 PolarHBondContact NZ-O 3.01Å; F60-R67 WeakPolarHBondContact O-CG 3.37Å; D63-R67 IonicContact OD1-CZ 3.78Å; D63-R67 IonicContact OD1-NH1 2.64Å; D63-R67 PolarHBondContact OD1-NH1 2.9Å; D63-R67 IonicContact OD1-NH2 3.12Å; D63-R67 PolarHBondContact OD1-NH2 3.05Å; D63-R67 VanDerWaalsContact OD1-NH2 3.12Å; M64-R67 VanDerWaalsContact O-CB 3.27Å; M64-R67 WeakPolarHBondContact O-CB 3.39Å; M64-R67 PolarHBondContact O-N 3.46Å; R65-R67 PolarHBondContact O-N 3.27Å; R67-Q69 VanDerWaalsContact C-N 3.28Å; R67-Q69 PolarHBondContact O-N 3.14Å |
| 68 | D | 85.3 | Confident | 88.3 | Confident | 116 Ų | 116 | 75.8 Ų | 75.8 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -91.2 | 10.5 | -172.9 | -53.2 | -40.4 | 0 | 0 | 0 | 112 | E66 | E66-D68 VanDerWaalsContact C-N 3.25Å; E66-D68 PolarHBondContact O-N 3.45Å |
| 69 | Q | 87.2 | Confident | 88.4 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | trans | -104.3 | 141.6 | 177.9 | -67.1 | 176.8 | 9.3 | 0 | 0 | 111.7 | K46 E66 R67 I72 | K46-Q69 PolarHBondContact NZ-O 2.99Å; E66-Q69 PolarHBondContact O-N 2.79Å; E66-Q69 VanDerWaalsContact O-N 3.17Å; R67-Q69 VanDerWaalsContact C-N 3.28Å; R67-Q69 PolarHBondContact O-N 3.14Å; Q69-I72 HydrophobicContact CB-CG1 4.1Å | ||
| 70 | D | 86.9 | Confident | 88.5 | Confident | 123 Ų | 123 | 74.6 Ų | 74.6 | 66% | 0.658 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -91.5 | -17.7 | 172.3 | -59 | -27.9 | 0 | 0 | 0 | 111.9 | T34 | T34-D70 PolarHBondContact N-O 3.47Š|
| 71 | K | 94.1 | Very high | 88.6 | Confident | 95 Ų | 95 | 73.7 Ų | 73.7 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 115.9 | 179.8 | -169.8 | 168.9 | -176.6 | 163.3 | 0 | 110.6 | T34 V36 | T34-K71 CarbonylContact O-C 3.57Å; T34-K71 VanDerWaalsContact O-CA 3.29Å; T34-K71 WeakPolarHBondContact O-CA 3.47Å; V36-K71 HydrophobicContact CG2-CD 4.1Å; V36-K71 HydrophobicContact CG2-CG 3.67Å |
| 72 | I | 94.4 | Very high | 89 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.4 | -172.7 | -60.2 | 168 | 0 | 0 | 0 | 109.3 | V33 T34 L35 V36 M59 F60 E66 Q69 L74 | V33-I72 HydrophobicContact CG2-CD1 3.81Å; V33-I72 HydrophobicContact CG2-CG1 4.37Å; T34-I72 PolarHBondContact O-N 3.45Å; L35-I72 CarbonylContact C-O 3.57Å; L35-I72 WeakPolarHBondContact CA-O 3.21Å; L35-I72 HydrophobicContact CD2-CB 4.04Å; L35-I72 HydrophobicContact CD2-CD1 4.4Å; L35-I72 HydrophobicContact CD2-CG2 4.45Å; V36-I72 PolarHBondContact N-O 2.81Å; M59-I72 HydrophobicContact SD-CD1 4.07Å; M59-I72 HydrophobicContact SD-CG2 4.18Å; F60-I72 HydrophobicContact CE1-CD1 3.64Å; F60-I72 HydrophobicContact CZ-CD1 4.5Å; E66-I72 HydrophobicContact CB-CD1 4.03Å; E66-I72 HydrophobicContact CB-CG1 4.33Å; E66-I72 HydrophobicContact CG-CG2 4.09Å; Q69-I72 HydrophobicContact CB-CG1 4.1Å; I72-L74 HydrophobicContact CG2-CD2 4.05Å |
| 73 | H | 93.5 | Very high | 89.6 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 57% | 0.569 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.2 | 177.6 | -71.5 | -96.7 | 0 | 0 | 0 | 110.6 | V36 | V36-H73 WeakPolarHBondContact O-CA 3.48Å |
| 74 | L | 93.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | trans | -94.3 | 118.1 | 175.2 | -57.7 | 177.9 | 0 | 0 | 0 | 109.1 | L35 V36 I37 Y55 F56 M59 I72 L77 F82 | L35-L74 HydrophobicContact CB-CD1 4.34Å; L35-L74 HydrophobicContact CD1-CD1 4.16Å; L35-L74 HydrophobicContact CD2-CD1 4.18Å; L35-L74 HydrophobicContact CD2-CG 4.47Å; L35-L74 HydrophobicContact CG-CD1 4.46Å; V36-L74 PolarHBondContact O-N 2.98Å; I37-L74 HydrophobicContact CD1-CB 4.48Å; I37-L74 HydrophobicContact CD1-CD1 4.2Å; I37-L74 HydrophobicContact CG1-CB 3.95Å; I37-L74 HydrophobicContact CG1-CD1 4.41Å; Y55-L74 HydrophobicContact CE1-CD2 4.29Å; F56-L74 HydrophobicContact CE1-CD1 4.1Å; F56-L74 HydrophobicContact CZ-CD1 4.02Å; M59-L74 HydrophobicContact CE-CD2 3.85Å; I72-L74 HydrophobicContact CG2-CD2 4.05Å; L74-L77 HydrophobicContact CB-CD1 4.23Å; L74-L77 HydrophobicContact CD1-CD1 4.22Å; L74-F82 HydrophobicContact CD1-CE2 4.39Å | ||
| 75 | K | 90.6 | Very high | 91.2 | Very high | 171 Ų | 171 | 61.8 Ų | 61.8 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | trans | -98.9 | 144.6 | -180 | -63.8 | -177.7 | -179.3 | 179.2 | 0 | 110.4 | Y110 | K75-Y110 WeakPolarHBondContact O-CE2 3.41Å; K75-Y110 PolarHBondContact O-OH 2.79Å | ||
| 76 | G | 86.4 | Confident | 92 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 54% | 0.536 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 86.6 | 18.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q106 | G76-Q106 PolarHBondContact O-NE2 3.23Š|
| 77 | L | 93.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | trans | -120.9 | 148.3 | 173 | -70.7 | 179 | 0 | 0 | 0 | 109.9 | I37 L74 F82 A107 Y110 | I37-L77 HydrophobicContact CD1-CB 4.37Å; I37-L77 HydrophobicContact CD1-CD1 4.06Å; I37-L77 HydrophobicContact CG2-CB 3.77Å; I37-L77 WeakPolarHBondContact CG2-O 3.47Å; L74-L77 HydrophobicContact CB-CD1 4.23Å; L74-L77 HydrophobicContact CD1-CD1 4.22Å; L77-F82 HydrophobicContact CD1-CD2 3.96Å; L77-A107 HydrophobicContact CD2-CB 3.98Å; L77-Y110 HydrophobicContact CD1-CD1 3.74Å; L77-Y110 HydrophobicContact CD1-CE1 3.95Å; L77-Y110 HydrophobicContact CD1-CG 4.16Å; L77-Y110 HydrophobicContact CD2-CD1 4.13Å; L77-Y110 HydrophobicContact CD2-CD2 4.06Å; L77-Y110 HydrophobicContact CD2-CG 3.69Å; L77-Y110 HydrophobicContact CG-CD1 4.02Å; L77-Y110 HydrophobicContact CG-CD2 4.16Å; L77-Y110 HydrophobicContact CG-CE1 4.29Å; L77-Y110 HydrophobicContact CG-CE2 4.41Å; L77-Y110 HydrophobicContact CG-CG 3.95Å | ||
| 78 | T | 95 | Very high | 93.4 | Very high | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.172 | 27% | 0.274 | C | S | . | . | trans | -90 | 147.9 | 166.4 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | T80 G81 F82 E103 | T78-T80 PolarHBondContact O-N 2.96Å; T78-G81 PolarHBondContact O-N 3.36Å; T78-G81 PolarHBondContact OG1-N 3.11Å; T78-G81 VanDerWaalsContact OG1-N 3.16Å; T78-F82 PolarHBondContact O-N 2.91Å; T78-F82 VanDerWaalsContact O-N 3.11Å; T78-E103 HydrophobicContact CG2-CG 4.44Å | ||
| 79 | A | 95.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E38 H40 F42 S83 | E38-A79 WeakPolarHBondContact OE2-CB 3.36Å; E38-A79 PolarHBondContact OE2-N 3.4Å; H40-A79 HydrophobicContact CB-CB 3.89Å; H40-A79 VanDerWaalsContact ND1-CB 3.32Å; H40-A79 WeakPolarHBondContact ND1-CB 3.22Å; F42-A79 HydrophobicContact CE2-CB 4.26Å; F42-A79 HydrophobicContact CZ-CB 4.09Å; A79-S83 VanDerWaalsContact O-CB 3.24Å; A79-S83 WeakPolarHBondContact O-CB 3.34Å; A79-S83 PolarHBondContact O-N 3.41Å |
| 80 | T | 95.2 | Very high | 94.2 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -51.1 | 177.5 | -50 | 0 | 0 | 0 | 0 | 112 | T78 F82 S83 H84 E103 | T78-T80 PolarHBondContact O-N 2.96Å; T80-F82 PolarHBondContact O-N 3.26Å; T80-S83 PolarHBondContact O-N 2.78Å; T80-H84 PolarHBondContact O-N 2.99Å; T80-H84 PolarHBondContact O-ND1 3.37Å; T80-E103 VanDerWaalsContact CB-OE2 3.28Å; T80-E103 WeakPolarHBondContact CB-OE2 3.32Å; T80-E103 WeakPolarHBondContact CG2-OE2 3.4Å |
| 81 | G | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T78 H84 V85 E103 A107 | T78-G81 PolarHBondContact O-N 3.36Å; T78-G81 PolarHBondContact OG1-N 3.11Å; T78-G81 VanDerWaalsContact OG1-N 3.16Å; G81-H84 PolarHBondContact O-N 3.41Å; G81-V85 PolarHBondContact O-N 3.11Å; G81-E103 WeakPolarHBondContact CA-O 3.42Å; G81-A107 VanDerWaalsContact C-CB 3.47Å |
| 82 | F | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | 178.1 | -171.1 | -101.5 | 0 | 0 | 0 | 113 | L35 I37 F42 F56 L74 L77 T78 T80 H84 V85 L86 V111 | L35-F82 HydrophobicContact CD1-CE1 3.83Å; L35-F82 HydrophobicContact CD1-CE2 4.33Å; L35-F82 HydrophobicContact CD1-CZ 3.35Å; I37-F82 HydrophobicContact CD1-CB 3.36Å; I37-F82 HydrophobicContact CD1-CD1 3.23Å; I37-F82 HydrophobicContact CD1-CD2 3.64Å; I37-F82 HydrophobicContact CD1-CE1 3.89Å; I37-F82 HydrophobicContact CD1-CE2 4.25Å; I37-F82 HydrophobicContact CD1-CG 3.08Å; I37-F82 HydrophobicContact CD1-CZ 4.36Å; F42-F82 HydrophobicContact CB-CD1 4.43Å; F42-F82 HydrophobicContact CB-CE1 4.05Å; F42-F82 HydrophobicContact CD1-CD1 4.19Å; F42-F82 HydrophobicContact CD1-CE1 4.5Å; F42-F82 AromaticContact CD2-CD1 3.88Å; F42-F82 HydrophobicContact CD2-CD1 3.88Å; F42-F82 HydrophobicContact CD2-CE1 4.28Å; F42-F82 HydrophobicContact CE1-CD1 4.43Å; F42-F82 HydrophobicContact CE2-CD1 4.15Å; F42-F82 AromaticContact CG-CD1 3.91Å; F42-F82 HydrophobicContact CG-CD1 3.91Å; F42-F82 HydrophobicContact CG-CE1 4.03Å; F42-F82 HydrophobicContact CZ-CD1 4.41Å; F56-F82 HydrophobicContact CE2-CE2 4.13Å; F56-F82 HydrophobicContact CE2-CZ 4.43Å; F56-F82 AromaticContact CZ-CE2 3.83Å; F56-F82 HydrophobicContact CZ-CE2 3.83Å; F56-F82 HydrophobicContact CZ-CZ 4.05Å; L74-F82 HydrophobicContact CD1-CE2 4.39Å; L77-F82 HydrophobicContact CD1-CD2 3.96Å; T78-F82 PolarHBondContact O-N 2.91Å; T78-F82 VanDerWaalsContact O-N 3.11Å; T80-F82 PolarHBondContact O-N 3.26Å; F82-H84 VanDerWaalsContact C-N 3.34Å; F82-H84 PolarHBondContact O-N 3.3Å; F82-V85 PolarHBondContact O-N 3.15Å; F82-L86 HydrophobicContact CD1-CB 4.41Å; F82-L86 HydrophobicContact CE1-CB 4.13Å; F82-L86 HydrophobicContact CE1-CD1 4.41Å; F82-L86 HydrophobicContact CE1-CD2 4.14Å; F82-L86 HydrophobicContact CE1-CG 4.48Å; F82-L86 HydrophobicContact CZ-CD1 4.44Å; F82-L86 WeakPolarHBondContact O-CB 3.41Å; F82-L86 PolarHBondContact O-N 3.2Å; F82-V111 HydrophobicContact CE2-CG1 4.18Å |
| 83 | S | 96.3 | Very high | 94.4 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 38% | 0.378 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.6 | -46.8 | 176.8 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | A79 T80 V85 L86 Q87 | A79-S83 VanDerWaalsContact O-CB 3.24Å; A79-S83 WeakPolarHBondContact O-CB 3.34Å; A79-S83 PolarHBondContact O-N 3.41Å; T80-S83 PolarHBondContact O-N 2.78Å; S83-V85 PolarHBondContact O-N 3.26Å; S83-L86 PolarHBondContact O-N 2.92Å; S83-Q87 WeakPolarHBondContact O-CB 3.49Å; S83-Q87 PolarHBondContact O-N 3.38Å |
| 84 | H | 97.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 40 Ų | 40 | 21% | 0.208 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 177.2 | -69.6 | 82.4 | 0 | 0 | 0 | 112.3 | T80 G81 F82 Q87 F88 I94 I104 | T80-H84 PolarHBondContact O-N 2.99Å; T80-H84 PolarHBondContact O-ND1 3.37Å; G81-H84 PolarHBondContact O-N 3.41Å; F82-H84 VanDerWaalsContact C-N 3.34Å; F82-H84 PolarHBondContact O-N 3.3Å; H84-Q87 PolarHBondContact O-N 3.29Å; H84-F88 PolarHBondContact O-N 3.24Å; H84-I94 HydrophobicContact CB-CD1 4.43Å; H84-I94 HydrophobicContact CB-CG1 4.5Å; H84-I104 HydrophobicContact CB-CD1 3.94Å; H84-I104 HydrophobicContact CB-CG1 3.87Å |
| 85 | V | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.9 | 157.9 | 0 | 0 | 0 | 0 | 111.6 | G81 F82 S83 F88 M89 A107 A108 V111 L113 | G81-V85 PolarHBondContact O-N 3.11Å; F82-V85 PolarHBondContact O-N 3.15Å; S83-V85 PolarHBondContact O-N 3.26Å; V85-F88 WeakPolarHBondContact O-CB 3.13Å; V85-F88 PolarHBondContact O-N 3.43Å; V85-M89 HydrophobicContact CG1-CE 3.85Å; V85-M89 WeakPolarHBondContact O-CG 3.2Å; V85-M89 PolarHBondContact O-N 3.13Å; V85-A107 HydrophobicContact CB-CB 4.41Å; V85-A107 HydrophobicContact CG2-CB 3.73Å; V85-A108 HydrophobicContact CG2-CB 4.29Å; V85-V111 HydrophobicContact CG1-CG2 3.65Å; V85-L113 HydrophobicContact CG1-CD1 3.6Å |
| 86 | L | 96.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 176.5 | -175 | 64.4 | 0 | 0 | 0 | 110.5 | F42 A44 L49 F82 S83 F88 M89 Y90 | F42-L86 HydrophobicContact CB-CD2 4.04Å; F42-L86 HydrophobicContact CD1-CD2 3.94Å; F42-L86 HydrophobicContact CG-CD2 4.38Å; A44-L86 HydrophobicContact CB-CD1 4.24Å; L49-L86 HydrophobicContact CD2-CD1 3.74Å; F82-L86 HydrophobicContact CD1-CB 4.41Å; F82-L86 HydrophobicContact CE1-CB 4.13Å; F82-L86 HydrophobicContact CE1-CD1 4.41Å; F82-L86 HydrophobicContact CE1-CD2 4.14Å; F82-L86 HydrophobicContact CE1-CG 4.48Å; F82-L86 HydrophobicContact CZ-CD1 4.44Å; F82-L86 WeakPolarHBondContact O-CB 3.41Å; F82-L86 PolarHBondContact O-N 3.2Å; S83-L86 PolarHBondContact O-N 2.92Å; L86-F88 VanDerWaalsContact C-N 3.29Å; L86-F88 PolarHBondContact O-N 3.4Å; L86-M89 WeakPolarHBondContact O-CB 3.41Å; L86-M89 PolarHBondContact O-N 2.94Å; L86-M89 VanDerWaalsContact O-N 3.11Å; L86-Y90 HydrophobicContact CD1-CD2 4.17Å; L86-Y90 HydrophobicContact CD1-CE2 3.79Å; L86-Y90 HydrophobicContact CG-CD2 4.28Å; L86-Y90 HydrophobicContact CG-CE2 4.21Å; L86-Y90 WeakPolarHBondContact O-CD2 3.41Å; L86-Y90 PolarHBondContact O-N 3.21Å |
| 87 | Q | 95.1 | Very high | 95.1 | Very high | 95 Ų | 95 | 40.4 Ų | 40.4 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 173.7 | -170.6 | -179.9 | 4.6 | 0 | 0 | 111 | S83 H84 M89 Y90 Y91 | S83-Q87 WeakPolarHBondContact O-CB 3.49Å; S83-Q87 PolarHBondContact O-N 3.38Å; H84-Q87 PolarHBondContact O-N 3.29Å; Q87-M89 VanDerWaalsContact C-N 3.34Å; Q87-M89 PolarHBondContact O-N 3.01Å; Q87-Y90 PolarHBondContact O-N 2.66Å; Q87-Y91 HydrophobicContact CG-CD2 3.67Å; Q87-Y91 HydrophobicContact CG-CE2 4.27Å; Q87-Y91 HydrophobicContact CG-CG 4.41Å; Q87-Y91 WeakPolarHBondContact O-CB 3.35Å; Q87-Y91 VanDerWaalsContact O-CD2 3.32Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.39Å; Q87-Y91 PolarHBondContact O-N 3.43Å |
| 88 | F | 96.5 | Very high | 95 | Very high | 40 Ų | 40 | 43.7 Ų | 43.7 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 174.1 | 173.9 | -96.1 | 0 | 0 | 0 | 112.4 | H84 V85 L86 Y90 G92 T93 I94 L113 V116 | H84-F88 PolarHBondContact O-N 3.24Å; V85-F88 WeakPolarHBondContact O-CB 3.13Å; V85-F88 PolarHBondContact O-N 3.43Å; L86-F88 VanDerWaalsContact C-N 3.29Å; L86-F88 PolarHBondContact O-N 3.4Å; F88-Y90 VanDerWaalsContact C-N 3.26Å; F88-Y90 PolarHBondContact O-N 2.92Å; F88-G92 VanDerWaalsContact O-CA 3.28Å; F88-G92 WeakPolarHBondContact O-CA 3.24Å; F88-G92 PolarHBondContact O-N 3.47Å; F88-T93 WeakPolarHBondContact CA-O 3.42Å; F88-I94 HydrophobicContact CB-CB 4.26Å; F88-I94 HydrophobicContact CB-CD1 4.32Å; F88-I94 HydrophobicContact CD2-CB 4.03Å; F88-I94 HydrophobicContact CD2-CG2 4.24Å; F88-L113 HydrophobicContact CD1-CD1 3.95Å; F88-L113 HydrophobicContact CE1-CD1 4.36Å; F88-V116 HydrophobicContact CD1-CG2 3.47Å; F88-V116 VanDerWaalsContact CD1-CG2 3.47Å; F88-V116 HydrophobicContact CD2-CG2 4.13Å; F88-V116 HydrophobicContact CE1-CG2 3.42Å; F88-V116 VanDerWaalsContact CE1-CG2 3.42Å; F88-V116 HydrophobicContact CE2-CG2 4.08Å; F88-V116 HydrophobicContact CG-CG2 3.83Å; F88-V116 HydrophobicContact CZ-CG2 3.73Å |
| 89 | M | 95.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -30 | 179 | -69.2 | -177.1 | -175.5 | 0 | 0 | 113.5 | L49 Q52 F56 V85 L86 Q87 V111 L113 | L49-M89 HydrophobicContact CD2-SD 3.31Å; L49-M89 WeakPolarHBondContact CD2-SD 3.4Å; Q52-M89 HydrophobicContact CB-CB 4.5Å; Q52-M89 HydrophobicContact CB-CG 4.06Å; Q52-M89 HydrophobicContact CB-SD 4.41Å; Q52-M89 HydrophobicContact CG-CB 4.37Å; Q52-M89 HydrophobicContact CG-CG 4.46Å; F56-M89 HydrophobicContact CD2-CE 4.06Å; F56-M89 HydrophobicContact CE2-CE 3.93Å; V85-M89 HydrophobicContact CG1-CE 3.85Å; V85-M89 WeakPolarHBondContact O-CG 3.2Å; V85-M89 PolarHBondContact O-N 3.13Å; L86-M89 WeakPolarHBondContact O-CB 3.41Å; L86-M89 PolarHBondContact O-N 2.94Å; L86-M89 VanDerWaalsContact O-N 3.11Å; Q87-M89 VanDerWaalsContact C-N 3.34Å; Q87-M89 PolarHBondContact O-N 3.01Å; M89-V111 HydrophobicContact CE-CB 4.33Å; M89-V111 HydrophobicContact CE-CG2 3.89Å; M89-L113 HydrophobicContact CE-CD1 3.61Å; M89-L113 HydrophobicContact CE-CD2 4.03Å; M89-L113 HydrophobicContact CE-CG 3.88Å; M89-L113 HydrophobicContact CG-CD1 4.21Å |
| 90 | Y | 94.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -90.3 | -43.1 | 176.9 | -80.8 | -82.8 | 0 | 0 | 0 | 113.4 | R22 Y25 A44 H45 L48 L86 Q87 F88 | R22-Y90 WeakPolarHBondContact CD-O 3.46Å; R22-Y90 WeakPolarHBondContact CG-O 3.08Å; Y25-Y90 HydrophobicContact CD1-CD1 4.21Å; Y25-Y90 HydrophobicContact CD1-CD2 4.26Å; Y25-Y90 HydrophobicContact CD1-CE1 4.4Å; Y25-Y90 HydrophobicContact CD1-CE2 4.43Å; Y25-Y90 HydrophobicContact CD1-CG 4.15Å; Y25-Y90 HydrophobicContact CD2-CD1 4.38Å; Y25-Y90 HydrophobicContact CD2-CD2 4.23Å; Y25-Y90 AromaticContact CD2-CE1 3.78Å; Y25-Y90 HydrophobicContact CD2-CE1 3.78Å; Y25-Y90 AromaticContact CD2-CE2 3.6Å; Y25-Y90 HydrophobicContact CD2-CE2 3.6Å; Y25-Y90 AromaticContact CD2-CZ 3.33Å; Y25-Y90 WeakPolarHBondContact CD2-OH 3.4Å; Y25-Y90 HydrophobicContact CE1-CD2 4.32Å; Y25-Y90 HydrophobicContact CE2-CD2 4.28Å; Y25-Y90 AromaticContact CE2-CE2 3.7Å; Y25-Y90 HydrophobicContact CE2-CE2 3.7Å; Y25-Y90 AromaticContact CE2-CZ 3.93Å; Y25-Y90 AromaticContact CG-CD1 3.85Å; Y25-Y90 HydrophobicContact CG-CD1 3.85Å; Y25-Y90 HydrophobicContact CG-CD2 4.22Å; Y25-Y90 AromaticContact CG-CE1 3.61Å; Y25-Y90 HydrophobicContact CG-CE1 3.61Å; Y25-Y90 AromaticContact CG-CE2 3.98Å; Y25-Y90 HydrophobicContact CG-CE2 3.98Å; Y25-Y90 HydrophobicContact CG-CG 4.15Å; Y25-Y90 AromaticContact CG-CZ 3.67Å; A44-Y90 WeakPolarHBondContact CA-OH 3.23Å; H45-Y90 PolarHBondContact N-OH 3.48Å; H45-Y90 AromaticContact ND1-CE1 3.56Å; H45-Y90 AromaticContact ND1-CZ 3.61Å; H45-Y90 PolarHBondContact ND1-OH 3.36Å; L48-Y90 HydrophobicContact CD2-CD1 3.28Å; L48-Y90 HydrophobicContact CD2-CD2 4Å; L48-Y90 HydrophobicContact CD2-CE1 3.14Å; L48-Y90 HydrophobicContact CD2-CE2 3.91Å; L48-Y90 HydrophobicContact CD2-CG 3.71Å; L48-Y90 VanDerWaalsContact CD2-CZ 3.49Å; L86-Y90 HydrophobicContact CD1-CD2 4.17Å; L86-Y90 HydrophobicContact CD1-CE2 3.79Å; L86-Y90 HydrophobicContact CG-CD2 4.28Å; L86-Y90 HydrophobicContact CG-CE2 4.21Å; L86-Y90 WeakPolarHBondContact O-CD2 3.41Å; L86-Y90 PolarHBondContact O-N 3.21Å; Q87-Y90 PolarHBondContact O-N 2.66Å; F88-Y90 VanDerWaalsContact C-N 3.26Å; F88-Y90 PolarHBondContact O-N 2.92Å |
| 91 | Y | 93.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -102.2 | -15.7 | -168 | -65 | -87.9 | 0 | 0 | 0 | 113.8 | R22 E26 Q87 T93 | R22-Y91 HydrophobicContact CG-CD1 4.37Å; R22-Y91 HydrophobicContact CG-CE1 4.38Å; E26-Y91 WeakPolarHBondContact CG-OH 3.43Å; E26-Y91 WeakPolarHBondContact OE1-CE1 3.44Å; E26-Y91 PolarHBondContact OE1-OH 2.93Å; Q87-Y91 HydrophobicContact CG-CD2 3.67Å; Q87-Y91 HydrophobicContact CG-CE2 4.27Å; Q87-Y91 HydrophobicContact CG-CG 4.41Å; Q87-Y91 WeakPolarHBondContact O-CB 3.35Å; Q87-Y91 VanDerWaalsContact O-CD2 3.32Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.39Å; Q87-Y91 PolarHBondContact O-N 3.43Å; Y91-T93 PolarHBondContact O-N 2.96Å |
| 92 | G | 92.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 51 Ų | 51 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 70.2 | 9.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F88 | F88-G92 VanDerWaalsContact O-CA 3.28Å; F88-G92 WeakPolarHBondContact O-CA 3.24Å; F88-G92 PolarHBondContact O-N 3.47Å |
| 93 | T | 93.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 53.6 Ų | 53.6 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | trans | -122.3 | 145.4 | -179.3 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | F88 Y91 | F88-T93 WeakPolarHBondContact CA-O 3.42Å; Y91-T93 PolarHBondContact O-N 2.96Å | ||
| 94 | I | 95.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | trans | -145.2 | 137.1 | 176 | -161.8 | 169.2 | 0 | 0 | 0 | 110.2 | H84 F88 I104 V116 F119 | H84-I94 HydrophobicContact CB-CD1 4.43Å; H84-I94 HydrophobicContact CB-CG1 4.5Å; F88-I94 HydrophobicContact CB-CB 4.26Å; F88-I94 HydrophobicContact CB-CD1 4.32Å; F88-I94 HydrophobicContact CD2-CB 4.03Å; F88-I94 HydrophobicContact CD2-CG2 4.24Å; I94-I104 HydrophobicContact CD1-CG2 3.55Å; I94-V116 HydrophobicContact CD1-CG1 3.67Å; I94-F119 HydrophobicContact CG2-CD1 3.72Å; I94-F119 HydrophobicContact CG2-CE1 3.84Å | ||
| 95 | E | 94.1 | Very high | 94.5 | Very high | 168 Ų | 168 | 48.9 Ų | 48.9 | 79% | 0.785 | 26% | 0.259 | S | S | * | . | trans | -107.3 | 132.8 | 177.1 | -64.9 | -173.9 | 172.8 | 0 | 0 | 109.9 | ||||
| 96 | L | 94.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | trans | -114.7 | 137.3 | -179.5 | -63.6 | -178.5 | 0 | 0 | 0 | 111.2 | I104 F119 C120 F123 | L96-I104 HydrophobicContact CD2-CB 4.25Å; L96-I104 HydrophobicContact CD2-CD1 3.65Å; L96-I104 HydrophobicContact CD2-CG2 3.87Å; L96-F119 HydrophobicContact CD1-CD1 3.42Å; L96-F119 VanDerWaalsContact CD1-CD1 3.42Å; L96-F119 HydrophobicContact CD1-CE1 3.45Å; L96-F119 VanDerWaalsContact CD1-CE1 3.45Å; L96-F119 HydrophobicContact CD1-CG 4.2Å; L96-F119 HydrophobicContact CD1-CZ 4.23Å; L96-F119 HydrophobicContact CG-CD1 3.99Å; L96-F119 HydrophobicContact CG-CE1 3.7Å; L96-C120 HydrophobicContact CD1-CB 4.48Å; L96-F123 HydrophobicContact CB-CD1 4.29Å; L96-F123 HydrophobicContact CB-CD2 4.03Å; L96-F123 HydrophobicContact CB-CE1 4.31Å; L96-F123 HydrophobicContact CB-CE2 4.04Å; L96-F123 HydrophobicContact CB-CG 4.14Å; L96-F123 HydrophobicContact CB-CZ 4.18Å; L96-F123 HydrophobicContact CD1-CB 3.73Å; L96-F123 HydrophobicContact CD1-CD1 4.37Å; L96-F123 HydrophobicContact CD1-CD2 4.38Å; L96-F123 HydrophobicContact CD1-CG 3.94Å | ||
| 97 | S | 94 | Very high | 94.4 | Very high | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | trans | -129.3 | 162.2 | 168 | 77.4 | 0 | 0 | 0 | 0 | 109.6 | N99 T100 V101 | S97-N99 PolarHBondContact O-N 3.22Å; S97-N99 PolarHBondContact OG-N 3.09Å; S97-T100 PolarHBondContact N-OG1 2.93Å; S97-T100 PolarHBondContact O-N 3.39Å; S97-T100 PolarHBondContact OG-N 3.43Å; S97-T100 VanDerWaalsContact OG-N 3.14Å; S97-T100 PolarHBondContact OG-OG1 3.4Å; S97-V101 VanDerWaalsContact O-CB 3.31Å; S97-V101 WeakPolarHBondContact O-CB 3.34Å; S97-V101 PolarHBondContact O-N 2.83Å | ||
| 98 | M | 91.3 | Very high | 94.5 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 38% | 0.384 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.4 | 174.3 | -68.5 | -59.5 | -78.2 | 0 | 0 | 112.3 | F123 K127 | M98-F123 HydrophobicContact CG-CE1 4.49Å; M98-F123 HydrophobicContact SD-CE1 3.75Å; M98-F123 HydrophobicContact SD-CZ 4.37Å; M98-K127 HydrophobicContact SD-CB 4.5Å; M98-K127 HydrophobicContact SD-CD 4.07Å |
| 99 | N | 92 | Very high | 94.3 | Very high | 145 Ų | 145 | 47 Ų | 47 | 78% | 0.775 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -29.2 | 179.9 | -59.4 | -15.7 | 0 | 0 | 0 | 112.5 | S97 | S97-N99 PolarHBondContact O-N 3.22Å; S97-N99 PolarHBondContact OG-N 3.09Å |
| 100 | T | 94 | Very high | 94.3 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 15% | 0.153 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -18.9 | -174.1 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | S97 H102 E103 I104 | S97-T100 PolarHBondContact N-OG1 2.93Å; S97-T100 PolarHBondContact O-N 3.39Å; S97-T100 PolarHBondContact OG-N 3.43Å; S97-T100 VanDerWaalsContact OG-N 3.14Å; S97-T100 PolarHBondContact OG-OG1 3.4Å; T100-H102 VanDerWaalsContact C-N 3.27Å; T100-H102 PolarHBondContact O-N 3.45Å; T100-E103 PolarHBondContact O-N 3.31Å; T100-I104 VanDerWaalsContact O-CG1 3.27Å; T100-I104 WeakPolarHBondContact O-CG1 2.92Å; T100-I104 PolarHBondContact O-N 2.97Å |
| 101 | V | 94.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -34.1 | -173.3 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | S97 L105 C120 F123 L124 | S97-V101 VanDerWaalsContact O-CB 3.31Å; S97-V101 WeakPolarHBondContact O-CB 3.34Å; S97-V101 PolarHBondContact O-N 2.83Å; V101-L105 WeakPolarHBondContact O-CB 3.28Å; V101-L105 PolarHBondContact O-N 3.16Å; V101-C120 HydrophobicContact CG2-CB 4.22Å; V101-F123 HydrophobicContact CB-CD1 4.44Å; V101-F123 HydrophobicContact CB-CE1 4.36Å; V101-F123 HydrophobicContact CG2-CD1 4.08Å; V101-L124 HydrophobicContact CB-CD2 4.42Å; V101-L124 HydrophobicContact CG1-CD2 3.71Å; V101-L124 HydrophobicContact CG2-CD1 4.29Å; V101-L124 HydrophobicContact CG2-CD2 3.87Å; V101-L124 HydrophobicContact CG2-CG 3.92Å |
| 102 | H | 93.8 | Very high | 94.3 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 37% | 0.366 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -53.7 | 176.6 | 176.2 | 68.8 | 0 | 0 | 0 | 111.5 | T100 I104 L105 Q106 L139 F143 | T100-H102 VanDerWaalsContact C-N 3.27Å; T100-H102 PolarHBondContact O-N 3.45Å; H102-I104 VanDerWaalsContact C-N 3.35Å; H102-I104 PolarHBondContact O-N 2.95Å; H102-L105 PolarHBondContact O-N 2.76Å; H102-Q106 WeakPolarHBondContact O-CB 3.41Å; H102-Q106 PolarHBondContact O-N 3.17Å; H102-L139 HydrophobicContact CB-CD2 4.49Å; H102-L139 WeakPolarHBondContact ND1-CD2 3.43Å; H102-F143 AromaticContact CE1-CE2 3.99Å; H102-F143 AromaticContact CE1-CZ 3.69Å; H102-F143 AromaticContact ND1-CE2 3.91Å; H102-F143 AromaticContact ND1-CZ 4Å |
| 103 | E | 94.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | -178.1 | -62.1 | 171 | 159.1 | 0 | 0 | 111.5 | T78 T80 G81 T100 A107 | T78-E103 HydrophobicContact CG2-CG 4.44Å; T80-E103 VanDerWaalsContact CB-OE2 3.28Å; T80-E103 WeakPolarHBondContact CB-OE2 3.32Å; T80-E103 WeakPolarHBondContact CG2-OE2 3.4Å; G81-E103 WeakPolarHBondContact CA-O 3.42Å; T100-E103 PolarHBondContact O-N 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.26Å; E103-A107 PolarHBondContact O-N 2.89Å |
| 104 | I | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -44.5 | 177.6 | -65.1 | 171.8 | 0 | 0 | 0 | 110.7 | H84 I94 L96 T100 H102 A107 A108 V116 | H84-I104 HydrophobicContact CB-CD1 3.94Å; H84-I104 HydrophobicContact CB-CG1 3.87Å; I94-I104 HydrophobicContact CD1-CG2 3.55Å; L96-I104 HydrophobicContact CD2-CB 4.25Å; L96-I104 HydrophobicContact CD2-CD1 3.65Å; L96-I104 HydrophobicContact CD2-CG2 3.87Å; T100-I104 VanDerWaalsContact O-CG1 3.27Å; T100-I104 WeakPolarHBondContact O-CG1 2.92Å; T100-I104 PolarHBondContact O-N 2.97Å; H102-I104 VanDerWaalsContact C-N 3.35Å; H102-I104 PolarHBondContact O-N 2.95Å; I104-A107 PolarHBondContact O-N 3.22Å; I104-A108 VanDerWaalsContact O-CB 3.26Å; I104-A108 WeakPolarHBondContact O-CB 3.5Å; I104-A108 PolarHBondContact O-N 3.06Å; I104-V116 HydrophobicContact CG2-CG1 4.09Å |
| 105 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 177.3 | 178.6 | 62.3 | 0 | 0 | 0 | 110.6 | V101 H102 A107 A108 M109 V117 C120 L124 F143 | V101-L105 WeakPolarHBondContact O-CB 3.28Å; V101-L105 PolarHBondContact O-N 3.16Å; H102-L105 PolarHBondContact O-N 2.76Å; L105-A107 PolarHBondContact O-N 3.46Å; L105-A108 PolarHBondContact O-N 3.21Å; L105-M109 HydrophobicContact CD1-CG 4.11Å; L105-M109 HydrophobicContact CD1-SD 3.97Å; L105-M109 HydrophobicContact CG-SD 4.27Å; L105-M109 WeakPolarHBondContact O-CB 3.49Å; L105-M109 VanDerWaalsContact O-CG 3.28Å; L105-M109 WeakPolarHBondContact O-CG 3.28Å; L105-M109 PolarHBondContact O-N 3.5Å; L105-V117 HydrophobicContact CD1-CB 4.38Å; L105-V117 HydrophobicContact CD1-CG1 3.74Å; L105-C120 HydrophobicContact CB-CB 4.27Å; L105-C120 HydrophobicContact CD1-CB 3.86Å; L105-L124 HydrophobicContact CD2-CD1 4.27Å; L105-F143 HydrophobicContact CD2-CD2 3.8Å; L105-F143 HydrophobicContact CD2-CE2 4.13Å; L105-F143 HydrophobicContact CG-CD2 4.04Å; L105-F143 HydrophobicContact CG-CE2 4.31Å |
| 106 | Q | 94.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.6 | -50.3 | 174.6 | -179.8 | 175 | -2.7 | 0 | 0 | 111.4 | G76 H102 M109 Y110 F143 | G76-Q106 PolarHBondContact O-NE2 3.23Å; H102-Q106 WeakPolarHBondContact O-CB 3.41Å; H102-Q106 PolarHBondContact O-N 3.17Å; Q106-M109 PolarHBondContact O-N 3.32Å; Q106-Y110 WeakPolarHBondContact O-CB 3.41Å; Q106-Y110 PolarHBondContact O-N 3.32Å; Q106-F143 HydrophobicContact CB-CE1 3.67Å; Q106-F143 HydrophobicContact CB-CZ 3.59Å; Q106-F143 HydrophobicContact CG-CE1 3.76Å; Q106-F143 HydrophobicContact CG-CZ 4.1Å |
| 107 | A | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L77 G81 V85 E103 I104 L105 M109 Y110 V111 | L77-A107 HydrophobicContact CD2-CB 3.98Å; G81-A107 VanDerWaalsContact C-CB 3.47Å; V85-A107 HydrophobicContact CB-CB 4.41Å; V85-A107 HydrophobicContact CG2-CB 3.73Å; E103-A107 WeakPolarHBondContact O-CB 3.26Å; E103-A107 PolarHBondContact O-N 2.89Å; I104-A107 PolarHBondContact O-N 3.22Å; L105-A107 PolarHBondContact O-N 3.46Å; A107-M109 VanDerWaalsContact C-N 3.3Å; A107-M109 PolarHBondContact O-N 3.1Å; A107-Y110 WeakPolarHBondContact O-CB 3.24Å; A107-Y110 PolarHBondContact O-N 2.9Å; A107-V111 VanDerWaalsContact O-CG2 3.22Å; A107-V111 WeakPolarHBondContact O-CG2 3.36Å; A107-V111 PolarHBondContact O-N 2.91Å |
| 108 | A | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -39.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V85 I104 L105 Q112 L113 V116 V117 | V85-A108 HydrophobicContact CG2-CB 4.29Å; I104-A108 VanDerWaalsContact O-CB 3.26Å; I104-A108 WeakPolarHBondContact O-CB 3.5Å; I104-A108 PolarHBondContact O-N 3.06Å; L105-A108 PolarHBondContact O-N 3.21Å; A108-Q112 CarbonylContact O-C 3.57Å; A108-Q112 WeakPolarHBondContact O-CA 3.28Å; A108-Q112 PolarHBondContact O-N 3.29Å; A108-L113 HydrophobicContact CB-CB 4.35Å; A108-L113 PolarHBondContact O-N 3.5Å; A108-V116 HydrophobicContact CB-CB 3.85Å; A108-V116 HydrophobicContact CB-CG1 3.65Å; A108-V117 HydrophobicContact CB-CG2 3.86Å |
| 109 | M | 93.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.7 | -42.5 | 176.6 | -71.3 | -165.3 | 64 | 0 | 0 | 112.4 | L105 Q106 A107 V111 Q112 V117 F143 V145 | L105-M109 HydrophobicContact CD1-CG 4.11Å; L105-M109 HydrophobicContact CD1-SD 3.97Å; L105-M109 HydrophobicContact CG-SD 4.27Å; L105-M109 WeakPolarHBondContact O-CB 3.49Å; L105-M109 VanDerWaalsContact O-CG 3.28Å; L105-M109 WeakPolarHBondContact O-CG 3.28Å; L105-M109 PolarHBondContact O-N 3.5Å; Q106-M109 PolarHBondContact O-N 3.32Å; A107-M109 VanDerWaalsContact C-N 3.3Å; A107-M109 PolarHBondContact O-N 3.1Å; M109-V111 PolarHBondContact O-N 3.47Å; M109-Q112 PolarHBondContact O-N 2.83Å; M109-Q112 VanDerWaalsContact O-N 3.14Å; M109-V117 HydrophobicContact CB-CG2 4.46Å; M109-V117 HydrophobicContact CG-CB 4.37Å; M109-V117 HydrophobicContact CG-CG1 3.84Å; M109-V117 HydrophobicContact CG-CG2 3.47Å; M109-V117 VanDerWaalsContact CG-CG2 3.47Å; M109-V117 HydrophobicContact SD-CG1 4Å; M109-F143 HydrophobicContact CE-CB 3.77Å; M109-F143 WeakPolarHBondContact CE-O 3.39Å; M109-F143 HydrophobicContact SD-CB 3.34Å; M109-F143 WeakPolarHBondContact SD-CB 3.45Å; M109-F143 HydrophobicContact SD-CG 4.03Å; M109-V145 HydrophobicContact CE-CG2 4.12Å; M109-V145 HydrophobicContact SD-CG2 3.62Å |
| 110 | Y | 94.6 | Very high | 95 | Very high | 74 Ų | 74 | 40.7 Ų | 40.7 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 176.9 | -171.8 | -79.2 | 0 | 0 | 0 | 111.8 | Y55 K75 L77 Q106 A107 Q112 | Y55-Y110 HydrophobicContact CE1-CD1 4.37Å; Y55-Y110 AromaticContact CE1-CE1 3.93Å; Y55-Y110 HydrophobicContact CE1-CE1 3.93Å; Y55-Y110 HydrophobicContact CE2-CE1 4.17Å; Y55-Y110 AromaticContact CZ-CE1 3.58Å; Y55-Y110 WeakPolarHBondContact OH-CE1 3.48Å; K75-Y110 WeakPolarHBondContact O-CE2 3.41Å; K75-Y110 PolarHBondContact O-OH 2.79Å; L77-Y110 HydrophobicContact CD1-CD1 3.74Å; L77-Y110 HydrophobicContact CD1-CE1 3.95Å; L77-Y110 HydrophobicContact CD1-CG 4.16Å; L77-Y110 HydrophobicContact CD2-CD1 4.13Å; L77-Y110 HydrophobicContact CD2-CD2 4.06Å; L77-Y110 HydrophobicContact CD2-CG 3.69Å; L77-Y110 HydrophobicContact CG-CD1 4.02Å; L77-Y110 HydrophobicContact CG-CD2 4.16Å; L77-Y110 HydrophobicContact CG-CE1 4.29Å; L77-Y110 HydrophobicContact CG-CE2 4.41Å; L77-Y110 HydrophobicContact CG-CG 3.95Å; Q106-Y110 WeakPolarHBondContact O-CB 3.41Å; Q106-Y110 PolarHBondContact O-N 3.32Å; A107-Y110 WeakPolarHBondContact O-CB 3.24Å; A107-Y110 PolarHBondContact O-N 2.9Å; Y110-Q112 VanDerWaalsContact C-N 3.28Å; Y110-Q112 PolarHBondContact O-N 2.82Å |
| 111 | V | 95.1 | Very high | 95 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 9.9 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | S53 Y55 F56 F82 V85 M89 A107 M109 L113 | S53-V111 WeakPolarHBondContact CB-O 3.21Å; S53-V111 PolarHBondContact OG-O 3.34Å; Y55-V111 HydrophobicContact CD1-CG1 4.41Å; F56-V111 HydrophobicContact CE2-CB 4.05Å; F56-V111 HydrophobicContact CE2-CG1 3.66Å; F56-V111 HydrophobicContact CZ-CG1 3.92Å; F82-V111 HydrophobicContact CE2-CG1 4.18Å; V85-V111 HydrophobicContact CG1-CG2 3.65Å; M89-V111 HydrophobicContact CE-CB 4.33Å; M89-V111 HydrophobicContact CE-CG2 3.89Å; A107-V111 VanDerWaalsContact O-CG2 3.22Å; A107-V111 WeakPolarHBondContact O-CG2 3.36Å; A107-V111 PolarHBondContact O-N 2.91Å; M109-V111 PolarHBondContact O-N 3.47Å; V111-L113 VanDerWaalsContact C-N 3.34Å; V111-L113 HydrophobicContact CG2-CB 4.39Å; V111-L113 HydrophobicContact CG2-CD1 3.98Å; V111-L113 HydrophobicContact CG2-CG 3.78Å; V111-L113 PolarHBondContact O-N 3.22Å |
| 112 | Q | 94.7 | Very high | 95.1 | Very high | 96 Ų | 96 | 42.5 Ų | 42.5 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 35.5 | 174.9 | -57 | 179.5 | -16.5 | 0 | 0 | 115.3 | A108 M109 Y110 I114 | A108-Q112 CarbonylContact O-C 3.57Å; A108-Q112 WeakPolarHBondContact O-CA 3.28Å; A108-Q112 PolarHBondContact O-N 3.29Å; M109-Q112 PolarHBondContact O-N 2.83Å; M109-Q112 VanDerWaalsContact O-N 3.14Å; Y110-Q112 VanDerWaalsContact C-N 3.28Å; Y110-Q112 PolarHBondContact O-N 2.82Å; Q112-I114 PolarHBondContact O-N 3.33Å; Q112-I114 VanDerWaalsContact O-N 3.15Å |
| 113 | L | 95.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | trans | -83.7 | 78.6 | 173.1 | -74 | -176.8 | 0 | 0 | 0 | 112.1 | Q52 V85 F88 M89 A108 V111 E115 V116 V117 | Q52-L113 HydrophobicContact CB-CD2 4.5Å; Q52-L113 WeakPolarHBondContact O-CD2 3.32Å; V85-L113 HydrophobicContact CG1-CD1 3.6Å; F88-L113 HydrophobicContact CD1-CD1 3.95Å; F88-L113 HydrophobicContact CE1-CD1 4.36Å; M89-L113 HydrophobicContact CE-CD1 3.61Å; M89-L113 HydrophobicContact CE-CD2 4.03Å; M89-L113 HydrophobicContact CE-CG 3.88Å; M89-L113 HydrophobicContact CG-CD1 4.21Å; A108-L113 HydrophobicContact CB-CB 4.35Å; A108-L113 PolarHBondContact O-N 3.5Å; V111-L113 VanDerWaalsContact C-N 3.34Å; V111-L113 HydrophobicContact CG2-CB 4.39Å; V111-L113 HydrophobicContact CG2-CD1 3.98Å; V111-L113 HydrophobicContact CG2-CG 3.78Å; V111-L113 PolarHBondContact O-N 3.22Å; L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 PolarHBondContact O-N 3.42Å; L113-V116 HydrophobicContact CB-CB 4.19Å; L113-V116 HydrophobicContact CB-CG2 4.11Å; L113-V116 HydrophobicContact CD1-CG2 4.12Å; L113-V116 PolarHBondContact O-N 2.95Å; L113-V117 WeakPolarHBondContact O-CG2 3.23Å; L113-V117 PolarHBondContact O-N 3.26Å; L113-V117 VanDerWaalsContact O-N 3.1Å | ||
| 114 | I | 92.5 | Very high | 95.1 | Very high | 103 Ų | 103 | 37.9 Ų | 37.9 | 53% | 0.528 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.3 | -39 | -172.5 | -60.3 | 173.5 | 0 | 0 | 0 | 113.1 | Q112 V116 V117 K118 | Q112-I114 PolarHBondContact O-N 3.33Å; Q112-I114 VanDerWaalsContact O-N 3.15Å; I114-V116 VanDerWaalsContact C-N 3.35Å; I114-V116 PolarHBondContact O-N 2.8Å; I114-V117 WeakPolarHBondContact O-CB 3.44Å; I114-V117 PolarHBondContact O-N 3.31Å; I114-K118 HydrophobicContact CG2-CD 4.35Å; I114-K118 HydrophobicContact CG2-CG 4.41Å; I114-K118 WeakPolarHBondContact O-CG 3.39Å; I114-K118 PolarHBondContact O-N 2.98Å |
| 115 | E | 94 | Very high | 95 | Very high | 120 Ų | 120 | 38.9 Ų | 38.9 | 56% | 0.561 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.5 | -38.3 | 179.8 | -65.2 | -55 | 126.8 | 0 | 0 | 112.4 | L113 K118 F119 | L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 PolarHBondContact O-N 3.42Å; E115-K118 PolarHBondContact O-N 3.47Å; E115-K118 IonicContact OE1-NZ 3.43Å; E115-K118 PolarHBondContact OE1-NZ 2.87Å; E115-K118 IonicContact OE2-NZ 2.87Å; E115-F119 PolarHBondContact O-N 3.36Å |
| 116 | V | 96 | Very high | 95 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.6 | -40.8 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | F88 I94 I104 A108 L113 I114 K118 F119 C120 | F88-V116 HydrophobicContact CD1-CG2 3.47Å; F88-V116 VanDerWaalsContact CD1-CG2 3.47Å; F88-V116 HydrophobicContact CD2-CG2 4.13Å; F88-V116 HydrophobicContact CE1-CG2 3.42Å; F88-V116 VanDerWaalsContact CE1-CG2 3.42Å; F88-V116 HydrophobicContact CE2-CG2 4.08Å; F88-V116 HydrophobicContact CG-CG2 3.83Å; F88-V116 HydrophobicContact CZ-CG2 3.73Å; I94-V116 HydrophobicContact CD1-CG1 3.67Å; I104-V116 HydrophobicContact CG2-CG1 4.09Å; A108-V116 HydrophobicContact CB-CB 3.85Å; A108-V116 HydrophobicContact CB-CG1 3.65Å; L113-V116 HydrophobicContact CB-CB 4.19Å; L113-V116 HydrophobicContact CB-CG2 4.11Å; L113-V116 HydrophobicContact CD1-CG2 4.12Å; L113-V116 PolarHBondContact O-N 2.95Å; I114-V116 VanDerWaalsContact C-N 3.35Å; I114-V116 PolarHBondContact O-N 2.8Å; V116-K118 PolarHBondContact O-N 3.14Å; V116-F119 PolarHBondContact O-N 3.47Å; V116-C120 PolarHBondContact O-N 3.21Å; V116-C120 PolarHBondContact O-SG 3.01Å |
| 117 | V | 95.5 | Very high | 95 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | L105 A108 M109 L113 I114 F119 C120 C121 I147 | L105-V117 HydrophobicContact CD1-CB 4.38Å; L105-V117 HydrophobicContact CD1-CG1 3.74Å; A108-V117 HydrophobicContact CB-CG2 3.86Å; M109-V117 HydrophobicContact CB-CG2 4.46Å; M109-V117 HydrophobicContact CG-CB 4.37Å; M109-V117 HydrophobicContact CG-CG1 3.84Å; M109-V117 HydrophobicContact CG-CG2 3.47Å; M109-V117 VanDerWaalsContact CG-CG2 3.47Å; M109-V117 HydrophobicContact SD-CG1 4Å; L113-V117 WeakPolarHBondContact O-CG2 3.23Å; L113-V117 PolarHBondContact O-N 3.26Å; L113-V117 VanDerWaalsContact O-N 3.1Å; I114-V117 WeakPolarHBondContact O-CB 3.44Å; I114-V117 PolarHBondContact O-N 3.31Å; V117-F119 VanDerWaalsContact C-N 3.33Å; V117-F119 PolarHBondContact O-N 2.97Å; V117-C120 PolarHBondContact O-N 3.21Å; V117-C121 PolarHBondContact O-N 3.44Å; V117-C121 PolarHBondContact O-SG 3.32Å; V117-I147 HydrophobicContact CB-CD1 4.09Å; V117-I147 HydrophobicContact CG1-CD1 3.51Å |
| 118 | K | 94.8 | Very high | 95 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 174.9 | -73.2 | 172.5 | -177.4 | 166 | 0 | 112.1 | I114 E115 V116 C121 S122 I147 | I114-K118 HydrophobicContact CG2-CD 4.35Å; I114-K118 HydrophobicContact CG2-CG 4.41Å; I114-K118 WeakPolarHBondContact O-CG 3.39Å; I114-K118 PolarHBondContact O-N 2.98Å; E115-K118 PolarHBondContact O-N 3.47Å; E115-K118 IonicContact OE1-NZ 3.43Å; E115-K118 PolarHBondContact OE1-NZ 2.87Å; E115-K118 IonicContact OE2-NZ 2.87Å; V116-K118 PolarHBondContact O-N 3.14Å; K118-C121 PolarHBondContact O-N 3.18Å; K118-S122 WeakPolarHBondContact O-CB 3.27Å; K118-S122 PolarHBondContact O-N 3.48Å; K118-S122 PolarHBondContact O-OG 2.97Å; K118-I147 HydrophobicContact CB-CD1 4.38Å; K118-I147 HydrophobicContact CG-CD1 3.82Å; K118-I147 HydrophobicContact CG-CG2 4.06Å |
| 119 | F | 95.9 | Very high | 95 | Very high | 97 Ų | 97 | 48.9 Ų | 48.9 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 178.2 | -176.1 | -124.5 | 0 | 0 | 0 | 112 | I94 L96 E115 V116 V117 C121 S122 F123 | I94-F119 HydrophobicContact CG2-CD1 3.72Å; I94-F119 HydrophobicContact CG2-CE1 3.84Å; L96-F119 HydrophobicContact CD1-CD1 3.42Å; L96-F119 VanDerWaalsContact CD1-CD1 3.42Å; L96-F119 HydrophobicContact CD1-CE1 3.45Å; L96-F119 VanDerWaalsContact CD1-CE1 3.45Å; L96-F119 HydrophobicContact CD1-CG 4.2Å; L96-F119 HydrophobicContact CD1-CZ 4.23Å; L96-F119 HydrophobicContact CG-CD1 3.99Å; L96-F119 HydrophobicContact CG-CE1 3.7Å; E115-F119 PolarHBondContact O-N 3.36Å; V116-F119 PolarHBondContact O-N 3.47Å; V117-F119 VanDerWaalsContact C-N 3.33Å; V117-F119 PolarHBondContact O-N 2.97Å; F119-C121 PolarHBondContact O-N 3.04Å; F119-S122 PolarHBondContact O-N 3.24Å; F119-F123 WeakPolarHBondContact O-CB 3.42Å; F119-F123 PolarHBondContact O-N 3.34Å |
| 120 | C | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 173.9 | -69.3 | 0 | 0 | 0 | 0 | 112 | L96 V101 L105 V116 V117 S122 F123 L124 | L96-C120 HydrophobicContact CD1-CB 4.48Å; V101-C120 HydrophobicContact CG2-CB 4.22Å; L105-C120 HydrophobicContact CB-CB 4.27Å; L105-C120 HydrophobicContact CD1-CB 3.86Å; V116-C120 PolarHBondContact O-N 3.21Å; V116-C120 PolarHBondContact O-SG 3.01Å; V117-C120 PolarHBondContact O-N 3.21Å; C120-S122 PolarHBondContact O-N 3.37Å; C120-F123 PolarHBondContact O-N 2.86Å; C120-L124 WeakPolarHBondContact O-CG 3.09Å; C120-L124 PolarHBondContact O-N 3.46Å |
| 121 | C | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 178.4 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | V117 K118 F119 F123 L124 L125 V150 | V117-C121 PolarHBondContact O-N 3.44Å; V117-C121 PolarHBondContact O-SG 3.32Å; K118-C121 PolarHBondContact O-N 3.18Å; F119-C121 PolarHBondContact O-N 3.04Å; C121-F123 VanDerWaalsContact C-N 3.34Å; C121-F123 PolarHBondContact O-N 3.44Å; C121-L124 PolarHBondContact O-N 3.45Å; C121-L125 WeakPolarHBondContact O-CB 2.92Å; C121-L125 VanDerWaalsContact O-CG 3.32Å; C121-L125 WeakPolarHBondContact O-CG 3.1Å; C121-L125 PolarHBondContact O-N 3.45Å; C121-V150 HydrophobicContact CB-CG1 4.32Å; C121-V150 HydrophobicContact CB-CG2 3.77Å |
| 122 | S | 95 | Very high | 94.9 | Very high | 66 Ų | 66 | 52.1 Ų | 52.1 | 46% | 0.462 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | K118 F119 C120 A126 | K118-S122 WeakPolarHBondContact O-CB 3.27Å; K118-S122 PolarHBondContact O-N 3.48Å; K118-S122 PolarHBondContact O-OG 2.97Å; F119-S122 PolarHBondContact O-N 3.24Å; C120-S122 PolarHBondContact O-N 3.37Å; S122-A126 VanDerWaalsContact O-CB 3.26Å; S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 2.76Å |
| 123 | F | 95.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 175.6 | 175.5 | -92.1 | 0 | 0 | 0 | 112.3 | L96 M98 V101 F119 C120 C121 A126 K127 | L96-F123 HydrophobicContact CB-CD1 4.29Å; L96-F123 HydrophobicContact CB-CD2 4.03Å; L96-F123 HydrophobicContact CB-CE1 4.31Å; L96-F123 HydrophobicContact CB-CE2 4.04Å; L96-F123 HydrophobicContact CB-CG 4.14Å; L96-F123 HydrophobicContact CB-CZ 4.18Å; L96-F123 HydrophobicContact CD1-CB 3.73Å; L96-F123 HydrophobicContact CD1-CD1 4.37Å; L96-F123 HydrophobicContact CD1-CD2 4.38Å; L96-F123 HydrophobicContact CD1-CG 3.94Å; M98-F123 HydrophobicContact CG-CE1 4.49Å; M98-F123 HydrophobicContact SD-CE1 3.75Å; M98-F123 HydrophobicContact SD-CZ 4.37Å; V101-F123 HydrophobicContact CB-CD1 4.44Å; V101-F123 HydrophobicContact CB-CE1 4.36Å; V101-F123 HydrophobicContact CG2-CD1 4.08Å; F119-F123 WeakPolarHBondContact O-CB 3.42Å; F119-F123 PolarHBondContact O-N 3.34Å; C120-F123 PolarHBondContact O-N 2.86Å; C121-F123 VanDerWaalsContact C-N 3.34Å; C121-F123 PolarHBondContact O-N 3.44Å; F123-A126 PolarHBondContact O-N 3.37Å; F123-K127 HydrophobicContact CE1-CD 4.29Å; F123-K127 HydrophobicContact CE2-CD 4.19Å; F123-K127 HydrophobicContact CZ-CD 3.97Å; F123-K127 PolarHBondContact O-N 2.53Å |
| 124 | L | 94.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 177.5 | -70.8 | 172.8 | 0 | 0 | 0 | 111.1 | V101 L105 C120 C121 A126 K127 I128 I136 L139 | V101-L124 HydrophobicContact CB-CD2 4.42Å; V101-L124 HydrophobicContact CG1-CD2 3.71Å; V101-L124 HydrophobicContact CG2-CD1 4.29Å; V101-L124 HydrophobicContact CG2-CD2 3.87Å; V101-L124 HydrophobicContact CG2-CG 3.92Å; L105-L124 HydrophobicContact CD2-CD1 4.27Å; C120-L124 WeakPolarHBondContact O-CG 3.09Å; C120-L124 PolarHBondContact O-N 3.46Å; C121-L124 PolarHBondContact O-N 3.45Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 2.58Å; L124-K127 CarbonylContact O-C 3.59Å; L124-K127 PolarHBondContact O-N 3.43Å; L124-K127 VanDerWaalsContact O-N 3.12Å; L124-I128 PolarHBondContact O-N 3.35Å; L124-I128 VanDerWaalsContact O-N 3.1Å; L124-I136 HydrophobicContact CB-CD1 4.43Å; L124-I136 HydrophobicContact CB-CG1 4.49Å; L124-I136 HydrophobicContact CB-CG2 4.33Å; L124-I136 HydrophobicContact CD2-CG1 4.33Å; L124-L139 HydrophobicContact CD1-CD1 4.47Å |
| 125 | L | 94.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -30.9 | -179 | -69.2 | 176.7 | 0 | 0 | 0 | 113.2 | C121 K127 I128 V150 K153 L154 | C121-L125 WeakPolarHBondContact O-CB 2.92Å; C121-L125 VanDerWaalsContact O-CG 3.32Å; C121-L125 WeakPolarHBondContact O-CG 3.1Å; C121-L125 PolarHBondContact O-N 3.45Å; L125-K127 PolarHBondContact O-N 3.13Å; L125-I128 WeakPolarHBondContact O-CG2 3.18Å; L125-V150 HydrophobicContact CD1-CB 4.2Å; L125-V150 HydrophobicContact CD1-CG1 3.92Å; L125-V150 HydrophobicContact CD1-CG2 4.26Å; L125-K153 HydrophobicContact CD1-CB 3.89Å; L125-K153 HydrophobicContact CD1-CD 4.06Å; L125-L154 HydrophobicContact CD2-CB 4.05Å |
| 126 | A | 95 | Very high | 94.8 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 72% | 0.719 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.9 | -19.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S122 F123 L124 | S122-A126 VanDerWaalsContact O-CB 3.26Å; S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 2.76Å; F123-A126 PolarHBondContact O-N 3.37Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 2.58Å |
| 127 | K | 94.4 | Very high | 94.6 | Very high | 103 Ų | 103 | 41.8 Ų | 41.8 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 11.4 | -179.2 | -65 | -170.8 | 176.5 | -175.3 | 0 | 113.2 | M98 F123 L124 L125 C129 N132 | M98-K127 HydrophobicContact SD-CB 4.5Å; M98-K127 HydrophobicContact SD-CD 4.07Å; F123-K127 HydrophobicContact CE1-CD 4.29Å; F123-K127 HydrophobicContact CE2-CD 4.19Å; F123-K127 HydrophobicContact CZ-CD 3.97Å; F123-K127 PolarHBondContact O-N 2.53Å; L124-K127 CarbonylContact O-C 3.59Å; L124-K127 PolarHBondContact O-N 3.43Å; L124-K127 VanDerWaalsContact O-N 3.12Å; L125-K127 PolarHBondContact O-N 3.13Å; K127-C129 PolarHBondContact O-N 3.11Å; K127-N132 PolarHBondContact O-ND2 3.49Å |
| 128 | I | 95.2 | Very high | 94.4 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 14% | 0.138 | 24% | 0.235 | C | C | . | . | trans | -63.4 | 132.8 | 178.6 | -166.9 | 167.9 | 0 | 0 | 0 | 110.3 | L124 L125 N132 C133 I136 L154 F157 | L124-I128 PolarHBondContact O-N 3.35Å; L124-I128 VanDerWaalsContact O-N 3.1Å; L125-I128 WeakPolarHBondContact O-CG2 3.18Å; I128-N132 WeakPolarHBondContact CA-OD1 3.35Å; I128-C133 HydrophobicContact CD1-CB 4.43Å; I128-C133 HydrophobicContact CG1-CB 4.24Å; I128-I136 HydrophobicContact CB-CD1 4.06Å; I128-I136 HydrophobicContact CG1-CD1 4.03Å; I128-L154 HydrophobicContact CD1-CD1 3.42Å; I128-L154 VanDerWaalsContact CD1-CD1 3.42Å; I128-F157 HydrophobicContact CD1-CB 4.3Å; I128-F157 HydrophobicContact CD1-CD1 3.57Å; I128-F157 HydrophobicContact CD1-CE1 4.09Å; I128-F157 HydrophobicContact CD1-CG 3.94Å; I128-F157 HydrophobicContact CG1-CD1 3.79Å; I128-F157 HydrophobicContact CG1-CE1 3.83Å; I128-F157 HydrophobicContact CG1-CG 4.16Å; I128-F157 HydrophobicContact CG1-CZ 4.22Å; I128-F157 HydrophobicContact CG2-CB 4.38Å; I128-F157 HydrophobicContact CG2-CD1 4.38Å; I128-F157 HydrophobicContact CG2-CD2 3.7Å; I128-F157 HydrophobicContact CG2-CE2 4.05Å; I128-F157 HydrophobicContact CG2-CG 3.88Å | ||
| 129 | C | 95.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 28% | 0.284 | 22% | 0.221 | S | C | . | . | trans | -145.9 | 175.1 | 177 | 67.9 | 0 | 0 | 0 | 0 | 110 | K127 E131 N132 C133 | K127-C129 PolarHBondContact O-N 3.11Å; C129-E131 PolarHBondContact O-N 2.9Å; C129-E131 PolarHBondContact SG-OE2 3.15Å; C129-N132 PolarHBondContact N-OD1 3.35Å; C129-N132 PolarHBondContact O-N 3.38Å; C129-N132 PolarHBondContact O-OD1 2.88Å; C129-C133 VanDerWaalsContact O-CB 3.24Å; C129-C133 WeakPolarHBondContact O-CB 3.26Å; C129-C133 PolarHBondContact O-N 3.31Å; C129-C133 VanDerWaalsContact O-N 3.1Å | ||
| 130 | L | 96.1 | Very high | 94 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 27% | 0.272 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.5 | -179 | -60.5 | 179 | 0 | 0 | 0 | 111.8 | F157 N161 P164 L165 R168 | L130-F157 HydrophobicContact CD2-CZ 4.4Å; L130-N161 HydrophobicContact CD2-CB 3.72Å; L130-P164 HydrophobicContact CD1-CB 4.13Å; L130-P164 HydrophobicContact CD2-CB 4.1Å; L130-L165 HydrophobicContact CD2-CD2 3.97Å; L130-L165 HydrophobicContact CD2-CG 4Å; L130-R168 WeakPolarHBondContact O-CD 3.46Å; L130-R168 VanDerWaalsContact O-CZ 3.25Å; L130-R168 PolarHBondContact O-NE 3.47Å |
| 131 | E | 94.3 | Very high | 93.8 | Very high | 120 Ų | 120 | 41.3 Ų | 41.3 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -35.3 | -175.6 | -62.1 | 70.4 | -152 | 0 | 0 | 114.4 | C129 R168 | C129-E131 PolarHBondContact O-N 2.9Å; C129-E131 PolarHBondContact SG-OE2 3.15Å; E131-R168 PolarHBondContact O-NH2 2.82Å |
| 132 | N | 93 | Very high | 93.5 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -5 | -173.2 | 68 | 15.3 | 0 | 0 | 0 | 113.8 | K127 I128 C129 A134 E135 I136 | K127-N132 PolarHBondContact O-ND2 3.49Å; I128-N132 WeakPolarHBondContact CA-OD1 3.35Å; C129-N132 PolarHBondContact N-OD1 3.35Å; C129-N132 PolarHBondContact O-N 3.38Å; C129-N132 PolarHBondContact O-OD1 2.88Å; N132-A134 PolarHBondContact O-N 3.4Å; N132-E135 PolarHBondContact O-N 2.95Å; N132-E135 VanDerWaalsContact O-N 3.14Å; N132-I136 HydrophobicContact CB-CD1 4.44Å; N132-I136 WeakPolarHBondContact O-CG1 3.34Å; N132-I136 PolarHBondContact O-N 2.97Å; N132-I136 WeakPolarHBondContact OD1-CD1 3.4Å |
| 133 | C | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -47.9 | -174.9 | 177.6 | 0 | 0 | 0 | 0 | 113 | I128 C129 E135 I136 M137 F157 L158 L165 | I128-C133 HydrophobicContact CD1-CB 4.43Å; I128-C133 HydrophobicContact CG1-CB 4.24Å; C129-C133 VanDerWaalsContact O-CB 3.24Å; C129-C133 WeakPolarHBondContact O-CB 3.26Å; C129-C133 PolarHBondContact O-N 3.31Å; C129-C133 VanDerWaalsContact O-N 3.1Å; C133-E135 VanDerWaalsContact C-N 3.27Å; C133-E135 PolarHBondContact O-N 3.13Å; C133-I136 PolarHBondContact O-N 3.12Å; C133-M137 VanDerWaalsContact O-CG 3.28Å; C133-M137 WeakPolarHBondContact O-CG 3.47Å; C133-M137 PolarHBondContact O-N 3.5Å; C133-F157 HydrophobicContact CB-CE1 4.06Å; C133-L158 WeakPolarHBondContact SG-CD2 3.21Å; C133-L165 HydrophobicContact CB-CD2 4Å |
| 134 | A | 93.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -35.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N132 R138 F171 | N132-A134 PolarHBondContact O-N 3.4Å; A134-R138 WeakPolarHBondContact O-CB 3.3Å; A134-R138 PolarHBondContact O-N 2.94Å; A134-R138 VanDerWaalsContact O-N 3.13Å; A134-F171 HydrophobicContact CB-CB 4.43Å; A134-F171 HydrophobicContact CB-CD2 4.25Å |
| 135 | E | 91.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 46.6 Ų | 46.6 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.6 | -46.1 | 175.5 | -176.2 | 174.3 | -162.8 | 0 | 0 | 111.2 | N132 C133 M137 R138 L139 | N132-E135 PolarHBondContact O-N 2.95Å; N132-E135 VanDerWaalsContact O-N 3.14Å; C133-E135 VanDerWaalsContact C-N 3.27Å; C133-E135 PolarHBondContact O-N 3.13Å; E135-M137 VanDerWaalsContact C-N 3.31Å; E135-M137 PolarHBondContact O-N 3.44Å; E135-R138 WeakPolarHBondContact O-CB 3.3Å; E135-R138 PolarHBondContact O-N 3.29Å; E135-R138 VanDerWaalsContact O-N 3.11Å; E135-L139 HydrophobicContact CG-CD1 4.38Å; E135-L139 HydrophobicContact CG-CG 4.49Å; E135-L139 VanDerWaalsContact O-CG 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.33Å; E135-L139 PolarHBondContact O-N 3.21Å |
| 136 | I | 93.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 176.1 | -67.5 | 171.9 | 0 | 0 | 0 | 110.8 | L124 I128 N132 C133 R138 L139 L140 | L124-I136 HydrophobicContact CB-CD1 4.43Å; L124-I136 HydrophobicContact CB-CG1 4.49Å; L124-I136 HydrophobicContact CB-CG2 4.33Å; L124-I136 HydrophobicContact CD2-CG1 4.33Å; I128-I136 HydrophobicContact CB-CD1 4.06Å; I128-I136 HydrophobicContact CG1-CD1 4.03Å; N132-I136 HydrophobicContact CB-CD1 4.44Å; N132-I136 WeakPolarHBondContact O-CG1 3.34Å; N132-I136 PolarHBondContact O-N 2.97Å; N132-I136 WeakPolarHBondContact OD1-CD1 3.4Å; C133-I136 PolarHBondContact O-N 3.12Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 3.47Å; I136-L139 PolarHBondContact O-N 3.14Å; I136-L140 HydrophobicContact CG2-CD1 3.94Å; I136-L140 HydrophobicContact CG2-CG 4.39Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.34Å; I136-L140 PolarHBondContact O-N 3.17Å |
| 137 | M | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 175.4 | -68.2 | 177.9 | 75.3 | 0 | 0 | 111.6 | C133 E135 L140 D141 L154 L158 F171 Y174 K179 | C133-M137 VanDerWaalsContact O-CG 3.28Å; C133-M137 WeakPolarHBondContact O-CG 3.47Å; C133-M137 PolarHBondContact O-N 3.5Å; E135-M137 VanDerWaalsContact C-N 3.31Å; E135-M137 PolarHBondContact O-N 3.44Å; M137-L140 PolarHBondContact O-N 3.47Å; M137-D141 WeakPolarHBondContact O-CB 3.31Å; M137-D141 VanDerWaalsContact O-CG 3.29Å; M137-D141 PolarHBondContact O-N 3.3Å; M137-L154 HydrophobicContact CG-CD1 3.97Å; M137-L154 HydrophobicContact CG-CD2 3.98Å; M137-L154 HydrophobicContact CG-CG 4.43Å; M137-L158 HydrophobicContact CE-CD1 3.77Å; M137-L158 HydrophobicContact SD-CD1 3.9Å; M137-L158 HydrophobicContact SD-CD2 3.88Å; M137-F171 HydrophobicContact SD-CD2 4.38Å; M137-F171 HydrophobicContact SD-CE2 3.66Å; M137-Y174 HydrophobicContact CB-CD1 4.08Å; M137-Y174 HydrophobicContact CB-CE1 3.55Å; M137-Y174 HydrophobicContact CE-CD1 4.37Å; M137-Y174 HydrophobicContact CE-CE1 4.2Å; M137-Y174 HydrophobicContact SD-CD1 4.37Å; M137-K179 HydrophobicContact CE-CD 4.15Å |
| 138 | R | 91.4 | Very high | 91.2 | Very high | 97 Ų | 97 | 53.8 Ų | 53.8 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 177.2 | -169.3 | -172.7 | -48.5 | 116 | 7.3 | 111.8 | A134 E135 I136 L140 D141 D142 Y174 | A134-R138 WeakPolarHBondContact O-CB 3.3Å; A134-R138 PolarHBondContact O-N 2.94Å; A134-R138 VanDerWaalsContact O-N 3.13Å; E135-R138 WeakPolarHBondContact O-CB 3.3Å; E135-R138 PolarHBondContact O-N 3.29Å; E135-R138 VanDerWaalsContact O-N 3.11Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 3.47Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 2.95Å; R138-D141 PolarHBondContact O-N 2.86Å; R138-D142 WeakPolarHBondContact CG-OD2 3.41Å; R138-D142 VanDerWaalsContact O-CB 3.23Å; R138-D142 WeakPolarHBondContact O-CB 3.43Å; R138-D142 PolarHBondContact O-N 2.89Å; R138-Y174 WeakPolarHBondContact CA-OH 3.41Å; R138-Y174 HydrophobicContact CB-CD2 4.29Å; R138-Y174 HydrophobicContact CB-CE2 3.69Å; R138-Y174 HydrophobicContact CG-CD2 4.45Å; R138-Y174 HydrophobicContact CG-CE2 3.77Å |
| 139 | L | 91.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 177.4 | -68.7 | 178.1 | 0 | 0 | 0 | 112.1 | H102 L124 E135 I136 F143 | H102-L139 HydrophobicContact CB-CD2 4.49Å; H102-L139 WeakPolarHBondContact ND1-CD2 3.43Å; L124-L139 HydrophobicContact CD1-CD1 4.47Å; E135-L139 HydrophobicContact CG-CD1 4.38Å; E135-L139 HydrophobicContact CG-CG 4.49Å; E135-L139 VanDerWaalsContact O-CG 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.33Å; E135-L139 PolarHBondContact O-N 3.21Å; I136-L139 PolarHBondContact O-N 3.14Å; L139-F143 HydrophobicContact CD2-CE2 4.14Å; L139-F143 WeakPolarHBondContact O-CD2 3.32Å; L139-F143 PolarHBondContact O-N 3.25Å |
| 140 | L | 91.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -37.1 | -178.4 | -66.1 | 174.1 | 0 | 0 | 0 | 112.3 | I136 M137 R138 G144 V145 V150 L154 | I136-L140 HydrophobicContact CG2-CD1 3.94Å; I136-L140 HydrophobicContact CG2-CG 4.39Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.34Å; I136-L140 PolarHBondContact O-N 3.17Å; M137-L140 PolarHBondContact O-N 3.47Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 2.95Å; L140-G144 PolarHBondContact O-N 2.87Å; L140-V145 HydrophobicContact CD2-CB 3.92Å; L140-V145 HydrophobicContact CD2-CG1 4.05Å; L140-V145 HydrophobicContact CD2-CG2 3.86Å; L140-V145 PolarHBondContact O-N 3.26Å; L140-V150 HydrophobicContact CD1-CG1 3.94Å; L140-V150 HydrophobicContact CD2-CG1 4.07Å; L140-L154 HydrophobicContact CD1-CD2 3.95Å |
| 141 | D | 90.6 | Very high | 90.5 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.5 | -46 | 177.5 | -69.8 | -33 | 0 | 0 | 0 | 111.9 | M137 R138 F143 G144 Y174 K179 | M137-D141 WeakPolarHBondContact O-CB 3.31Å; M137-D141 VanDerWaalsContact O-CG 3.29Å; M137-D141 PolarHBondContact O-N 3.3Å; R138-D141 PolarHBondContact O-N 2.86Å; D141-F143 VanDerWaalsContact C-N 3.28Å; D141-F143 PolarHBondContact O-N 2.97Å; D141-G144 PolarHBondContact O-N 3.09Å; D141-Y174 WeakPolarHBondContact CB-OH 3.44Å; D141-Y174 PolarHBondContact OD2-OH 2.97Å; D141-K179 IonicContact OD1-NZ 3.12Å; D141-K179 PolarHBondContact OD1-NZ 2.97Å; D141-K179 IonicContact OD2-NZ 3.97Å; D141-K179 PolarHBondContact OD2-NZ 3.07Å |
| 142 | D | 89.2 | Confident | 90.4 | Very high | 113 Ų | 113 | 57 Ų | 57 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.8 | -38.9 | -178.2 | -77.3 | -8.1 | 0 | 0 | 0 | 111.6 | R138 | R138-D142 WeakPolarHBondContact CG-OD2 3.41Å; R138-D142 VanDerWaalsContact O-CB 3.23Å; R138-D142 WeakPolarHBondContact O-CB 3.43Å; R138-D142 PolarHBondContact O-N 2.89Å |
| 143 | F | 87.5 | Confident | 90.4 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -3.8 | 176.1 | -59.9 | -60.6 | 0 | 0 | 0 | 113.7 | H102 L105 Q106 M109 L139 D141 V145 | H102-F143 AromaticContact CE1-CE2 3.99Å; H102-F143 AromaticContact CE1-CZ 3.69Å; H102-F143 AromaticContact ND1-CE2 3.91Å; H102-F143 AromaticContact ND1-CZ 4Å; L105-F143 HydrophobicContact CD2-CD2 3.8Å; L105-F143 HydrophobicContact CD2-CE2 4.13Å; L105-F143 HydrophobicContact CG-CD2 4.04Å; L105-F143 HydrophobicContact CG-CE2 4.31Å; Q106-F143 HydrophobicContact CB-CE1 3.67Å; Q106-F143 HydrophobicContact CB-CZ 3.59Å; Q106-F143 HydrophobicContact CG-CE1 3.76Å; Q106-F143 HydrophobicContact CG-CZ 4.1Å; M109-F143 HydrophobicContact CE-CB 3.77Å; M109-F143 WeakPolarHBondContact CE-O 3.39Å; M109-F143 HydrophobicContact SD-CB 3.34Å; M109-F143 WeakPolarHBondContact SD-CB 3.45Å; M109-F143 HydrophobicContact SD-CG 4.03Å; L139-F143 HydrophobicContact CD2-CE2 4.14Å; L139-F143 WeakPolarHBondContact O-CD2 3.32Å; L139-F143 PolarHBondContact O-N 3.25Å; D141-F143 VanDerWaalsContact C-N 3.28Å; D141-F143 PolarHBondContact O-N 2.97Å; F143-V145 VanDerWaalsContact C-N 3.29Å; F143-V145 HydrophobicContact CB-CG2 4.17Å; F143-V145 PolarHBondContact O-N 3.17Å |
| 144 | G | 86.6 | Confident | 90.4 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 47% | 0.474 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 36.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L140 D141 N146 | L140-G144 PolarHBondContact O-N 2.87Å; D141-G144 PolarHBondContact O-N 3.09Å; G144-N146 PolarHBondContact O-N 3.27Å; G144-N146 VanDerWaalsContact O-N 3.09Å |
| 145 | V | 86.4 | Confident | 90.4 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | trans | -59.7 | 116.5 | -178.5 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | M109 L140 F143 I147 | M109-V145 HydrophobicContact CE-CG2 4.12Å; M109-V145 HydrophobicContact SD-CG2 3.62Å; L140-V145 HydrophobicContact CD2-CB 3.92Å; L140-V145 HydrophobicContact CD2-CG1 4.05Å; L140-V145 HydrophobicContact CD2-CG2 3.86Å; L140-V145 PolarHBondContact O-N 3.26Å; F143-V145 VanDerWaalsContact C-N 3.29Å; F143-V145 HydrophobicContact CB-CG2 4.17Å; F143-V145 PolarHBondContact O-N 3.17Å; V145-I147 HydrophobicContact CG1-CB 4.22Å; V145-I147 HydrophobicContact CG1-CD1 4.01Å; V145-I147 HydrophobicContact CG1-CG1 3.93Å | ||
| 146 | N | 85.3 | Confident | 90.5 | Very high | 136 Ų | 136 | 63.3 Ų | 63.3 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | trans | -120.3 | 59.5 | 178.2 | -166 | 31.1 | 0 | 0 | 0 | 110.7 | G144 | G144-N146 PolarHBondContact O-N 3.27Å; G144-N146 VanDerWaalsContact O-N 3.09Å | ||
| 147 | I | 87.6 | Confident | 90.7 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | trans | -98.3 | 132.4 | 176 | -64.3 | 176.2 | 0 | 0 | 0 | 108.7 | V117 K118 V145 G149 V150 | V117-I147 HydrophobicContact CB-CD1 4.09Å; V117-I147 HydrophobicContact CG1-CD1 3.51Å; K118-I147 HydrophobicContact CB-CD1 4.38Å; K118-I147 HydrophobicContact CG-CD1 3.82Å; K118-I147 HydrophobicContact CG-CG2 4.06Å; V145-I147 HydrophobicContact CG1-CB 4.22Å; V145-I147 HydrophobicContact CG1-CD1 4.01Å; V145-I147 HydrophobicContact CG1-CG1 3.93Å; I147-G149 PolarHBondContact O-N 3.09Å; I147-V150 HydrophobicContact CB-CB 4.4Å; I147-V150 HydrophobicContact CB-CG2 3.73Å; I147-V150 HydrophobicContact CG2-CG2 3.71Å; I147-V150 PolarHBondContact O-N 3.23Å | ||
| 148 | E | 88.3 | Confident | 90.8 | Very high | 192 Ų | 192 | 64.8 Ų | 64.8 | 90% | 0.897 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 134.9 | 178 | -168.2 | 177.9 | 175.7 | 0 | 0 | 111.5 | V150 | E148-V150 PolarHBondContact O-N 3.01Å; E148-V150 VanDerWaalsContact O-N 3.13Å |
| 149 | G | 89.8 | Confident | 91 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 24% | 0.237 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -14.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | I147 K153 | I147-G149 PolarHBondContact O-N 3.09Å; G149-K153 WeakPolarHBondContact O-CG 3.35Å; G149-K153 PolarHBondContact O-N 3.28Å; G149-K153 VanDerWaalsContact O-N 3.12Å |
| 150 | V | 92.4 | Very high | 91.2 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.5 | -48.1 | 178.8 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | C121 L125 L140 I147 E148 K153 L154 | C121-V150 HydrophobicContact CB-CG1 4.32Å; C121-V150 HydrophobicContact CB-CG2 3.77Å; L125-V150 HydrophobicContact CD1-CB 4.2Å; L125-V150 HydrophobicContact CD1-CG1 3.92Å; L125-V150 HydrophobicContact CD1-CG2 4.26Å; L140-V150 HydrophobicContact CD1-CG1 3.94Å; L140-V150 HydrophobicContact CD2-CG1 4.07Å; I147-V150 HydrophobicContact CB-CB 4.4Å; I147-V150 HydrophobicContact CB-CG2 3.73Å; I147-V150 HydrophobicContact CG2-CG2 3.71Å; I147-V150 PolarHBondContact O-N 3.23Å; E148-V150 PolarHBondContact O-N 3.01Å; E148-V150 VanDerWaalsContact O-N 3.13Å; V150-K153 PolarHBondContact O-N 2.88Å; V150-L154 PolarHBondContact O-N 3.39Å; V150-L154 VanDerWaalsContact O-N 3.15Å |
| 151 | R | 90.1 | Very high | 91.4 | Very high | 131 Ų | 131 | 65.6 Ų | 65.6 | 49% | 0.494 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 178.3 | -69.5 | -173.8 | 178.2 | 170.8 | -0.3 | 112.2 | K153 L154 D155 | R151-K153 PolarHBondContact O-N 2.89Å; R151-L154 PolarHBondContact O-N 3.09Å; R151-D155 WeakPolarHBondContact O-CB 3.31Å; R151-D155 PolarHBondContact O-N 2.98Å |
| 152 | E | 92.3 | Very high | 91.7 | Very high | 144 Ų | 144 | 62.7 Ų | 62.7 | 67% | 0.673 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 179.1 | -63.2 | 174.8 | 176.4 | 0 | 0 | 112.2 | D155 S156 | E152-D155 PolarHBondContact O-N 3.38Å; E152-S156 WeakPolarHBondContact O-CB 3.36Å; E152-S156 PolarHBondContact O-N 2.86Å |
| 153 | K | 93.6 | Very high | 92.1 | Very high | 137 Ų | 137 | 58.5 Ų | 58.5 | 60% | 0.596 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 175.8 | -76.2 | -179.7 | 179.8 | 179.8 | 0 | 112.3 | L125 G149 V150 R151 F157 | L125-K153 HydrophobicContact CD1-CB 3.89Å; L125-K153 HydrophobicContact CD1-CD 4.06Å; G149-K153 WeakPolarHBondContact O-CG 3.35Å; G149-K153 PolarHBondContact O-N 3.28Å; G149-K153 VanDerWaalsContact O-N 3.12Å; V150-K153 PolarHBondContact O-N 2.88Å; R151-K153 PolarHBondContact O-N 2.89Å; K153-F157 PolarHBondContact O-N 2.84Å; K153-F157 VanDerWaalsContact O-N 3.16Å |
| 154 | L | 94.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -49 | 176.1 | 173.9 | 62.5 | 0 | 0 | 0 | 111.1 | L125 I128 M137 L140 V150 R151 S156 F157 L158 | L125-L154 HydrophobicContact CD2-CB 4.05Å; I128-L154 HydrophobicContact CD1-CD1 3.42Å; I128-L154 VanDerWaalsContact CD1-CD1 3.42Å; M137-L154 HydrophobicContact CG-CD1 3.97Å; M137-L154 HydrophobicContact CG-CD2 3.98Å; M137-L154 HydrophobicContact CG-CG 4.43Å; L140-L154 HydrophobicContact CD1-CD2 3.95Å; V150-L154 PolarHBondContact O-N 3.39Å; V150-L154 VanDerWaalsContact O-N 3.15Å; R151-L154 PolarHBondContact O-N 3.09Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 3.09Å; L154-F157 WeakPolarHBondContact O-CB 3.28Å; L154-F157 PolarHBondContact O-N 2.9Å; L154-L158 HydrophobicContact CD1-CD1 4.11Å; L154-L158 HydrophobicContact CD1-CG 4.25Å; L154-L158 HydrophobicContact CG-CD1 3.92Å; L154-L158 HydrophobicContact CG-CG 4.46Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 2.98Å; L154-L158 PolarHBondContact O-N 2.98Å |
| 155 | D | 93.5 | Very high | 93.1 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 179.7 | -74.2 | -30.2 | 0 | 0 | 0 | 111.7 | R151 E152 L158 L159 Y183 | R151-D155 WeakPolarHBondContact O-CB 3.31Å; R151-D155 PolarHBondContact O-N 2.98Å; E152-D155 PolarHBondContact O-N 3.38Å; D155-L158 PolarHBondContact O-N 3.43Å; D155-L159 WeakPolarHBondContact O-CB 3.28Å; D155-L159 WeakPolarHBondContact O-CD1 3.48Å; D155-L159 WeakPolarHBondContact O-CG 3.48Å; D155-L159 PolarHBondContact O-N 3.13Å; D155-Y183 WeakPolarHBondContact OD1-CE1 3.39Å; D155-Y183 PolarHBondContact OD1-OH 3.29Å |
| 156 | S | 93.9 | Very high | 93.6 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.6 | -50 | 171.9 | -162.4 | 0 | 0 | 0 | 0 | 111.2 | E152 L154 L158 L159 E160 | E152-S156 WeakPolarHBondContact O-CB 3.36Å; E152-S156 PolarHBondContact O-N 2.86Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 3.09Å; S156-L158 VanDerWaalsContact C-N 3.32Å; S156-L158 PolarHBondContact O-N 3.31Å; S156-L159 PolarHBondContact O-N 2.91Å; S156-E160 WeakPolarHBondContact O-CB 3.2Å; S156-E160 VanDerWaalsContact O-CG 3.29Å; S156-E160 WeakPolarHBondContact O-CG 3.47Å; S156-E160 PolarHBondContact O-N 2.85Å; S156-E160 PolarHBondContact OG-OE1 2.97Å; S156-E160 VanDerWaalsContact OG-OE1 3.07Å |
| 157 | F | 95.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.5 | 178.3 | -90.8 | 0 | 0 | 0 | 112 | I128 L130 C133 K153 L154 E160 N161 L165 | I128-F157 HydrophobicContact CD1-CB 4.3Å; I128-F157 HydrophobicContact CD1-CD1 3.57Å; I128-F157 HydrophobicContact CD1-CE1 4.09Å; I128-F157 HydrophobicContact CD1-CG 3.94Å; I128-F157 HydrophobicContact CG1-CD1 3.79Å; I128-F157 HydrophobicContact CG1-CE1 3.83Å; I128-F157 HydrophobicContact CG1-CG 4.16Å; I128-F157 HydrophobicContact CG1-CZ 4.22Å; I128-F157 HydrophobicContact CG2-CB 4.38Å; I128-F157 HydrophobicContact CG2-CD1 4.38Å; I128-F157 HydrophobicContact CG2-CD2 3.7Å; I128-F157 HydrophobicContact CG2-CE2 4.05Å; I128-F157 HydrophobicContact CG2-CG 3.88Å; L130-F157 HydrophobicContact CD2-CZ 4.4Å; C133-F157 HydrophobicContact CB-CE1 4.06Å; K153-F157 PolarHBondContact O-N 2.84Å; K153-F157 VanDerWaalsContact O-N 3.16Å; L154-F157 WeakPolarHBondContact O-CB 3.28Å; L154-F157 PolarHBondContact O-N 2.9Å; F157-E160 PolarHBondContact O-N 3.26Å; F157-N161 HydrophobicContact CE1-CB 4.46Å; F157-N161 WeakPolarHBondContact O-CB 3.46Å; F157-N161 PolarHBondContact O-N 3.05Å; F157-N161 VanDerWaalsContact O-N 3.08Å; F157-N161 PolarHBondContact O-ND2 3.42Å; F157-L165 HydrophobicContact CE1-CD1 4.49Å |
| 158 | L | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 179.4 | -72.5 | 172.3 | 0 | 0 | 0 | 112.3 | C133 M137 L154 D155 S156 N161 F162 L165 F171 Y183 | C133-L158 WeakPolarHBondContact SG-CD2 3.21Å; M137-L158 HydrophobicContact CE-CD1 3.77Å; M137-L158 HydrophobicContact SD-CD1 3.9Å; M137-L158 HydrophobicContact SD-CD2 3.88Å; L154-L158 HydrophobicContact CD1-CD1 4.11Å; L154-L158 HydrophobicContact CD1-CG 4.25Å; L154-L158 HydrophobicContact CG-CD1 3.92Å; L154-L158 HydrophobicContact CG-CG 4.46Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 2.98Å; L154-L158 PolarHBondContact O-N 2.98Å; D155-L158 PolarHBondContact O-N 3.43Å; S156-L158 VanDerWaalsContact C-N 3.32Å; S156-L158 PolarHBondContact O-N 3.31Å; L158-N161 CarbonylContact O-C 3.57Å; L158-N161 PolarHBondContact O-N 3.39Å; L158-F162 VanDerWaalsContact O-CA 3.23Å; L158-F162 WeakPolarHBondContact O-CA 3.44Å; L158-F162 WeakPolarHBondContact O-CB 3.05Å; L158-F162 PolarHBondContact O-N 3.02Å; L158-L165 HydrophobicContact CD2-CD1 3.54Å; L158-F171 HydrophobicContact CD2-CE2 3.65Å; L158-F171 HydrophobicContact CD2-CZ 3.9Å; L158-Y183 HydrophobicContact CD1-CE1 4.41Å; L158-Y183 HydrophobicContact CD1-CE2 4.28Å; L158-Y183 WeakPolarHBondContact CD1-OH 3.39Å |
| 159 | L | 95.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 178.4 | -68.8 | 167 | 0 | 0 | 0 | 111.4 | D155 S156 N161 Y183 N186 H188 L189 | D155-L159 WeakPolarHBondContact O-CB 3.28Å; D155-L159 WeakPolarHBondContact O-CD1 3.48Å; D155-L159 WeakPolarHBondContact O-CG 3.48Å; D155-L159 PolarHBondContact O-N 3.13Å; S156-L159 PolarHBondContact O-N 2.91Å; L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 2.87Å; L159-Y183 HydrophobicContact CD2-CD1 3.98Å; L159-Y183 HydrophobicContact CG-CD1 4.48Å; L159-N186 HydrophobicContact CD2-CB 4.24Å; L159-H188 HydrophobicContact CD1-CB 3.86Å; L159-L189 HydrophobicContact CD2-CB 4.05Å; L159-L189 HydrophobicContact CD2-CD1 4.17Å |
| 160 | E | 94 | Very high | 95.1 | Very high | 89 Ų | 89 | 52.3 Ų | 52.3 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.4 | -27 | 176.9 | -74.1 | 170.4 | -148.2 | 0 | 0 | 113.4 | S156 F157 R191 F192 | S156-E160 WeakPolarHBondContact O-CB 3.2Å; S156-E160 VanDerWaalsContact O-CG 3.29Å; S156-E160 WeakPolarHBondContact O-CG 3.47Å; S156-E160 PolarHBondContact O-N 2.85Å; S156-E160 PolarHBondContact OG-OE1 2.97Å; S156-E160 VanDerWaalsContact OG-OE1 3.07Å; F157-E160 PolarHBondContact O-N 3.26Å; E160-R191 WeakPolarHBondContact O-CD 3.34Å; E160-F192 WeakPolarHBondContact O-CZ 3.45Å |
| 161 | N | 96.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 18 | -173.8 | -65 | -83.5 | 0 | 0 | 0 | 113.5 | L130 F157 L158 L159 V163 P164 L165 | L130-N161 HydrophobicContact CD2-CB 3.72Å; F157-N161 HydrophobicContact CE1-CB 4.46Å; F157-N161 WeakPolarHBondContact O-CB 3.46Å; F157-N161 PolarHBondContact O-N 3.05Å; F157-N161 VanDerWaalsContact O-N 3.08Å; F157-N161 PolarHBondContact O-ND2 3.42Å; L158-N161 CarbonylContact O-C 3.57Å; L158-N161 PolarHBondContact O-N 3.39Å; L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 2.87Å; N161-V163 PolarHBondContact O-N 3.36Å; N161-P164 VanDerWaalsContact O-CD 3.28Å; N161-P164 WeakPolarHBondContact O-CD 3.4Å; N161-L165 HydrophobicContact CB-CD1 3.98Å; N161-L165 HydrophobicContact CB-CG 4.23Å; N161-L165 WeakPolarHBondContact O-CB 3.38Å; N161-L165 WeakPolarHBondContact O-CD1 3.3Å; N161-L165 VanDerWaalsContact O-CG 3.25Å; N161-L165 WeakPolarHBondContact O-CG 3.09Å; N161-L165 PolarHBondContact O-N 3.38Å |
| 162 | F | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.3 | -52.8 | -169 | -174.8 | -97.9 | 0 | 0 | 0 | 113.4 | L158 L165 M166 L180 Y183 L184 L189 F192 L197 A200 | L158-F162 VanDerWaalsContact O-CA 3.23Å; L158-F162 WeakPolarHBondContact O-CA 3.44Å; L158-F162 WeakPolarHBondContact O-CB 3.05Å; L158-F162 PolarHBondContact O-N 3.02Å; F162-L165 PolarHBondContact O-N 2.71Å; F162-M166 HydrophobicContact CD1-CG 4.08Å; F162-M166 HydrophobicContact CD2-CG 4.45Å; F162-M166 HydrophobicContact CE1-CE 4.47Å; F162-M166 HydrophobicContact CE1-CG 3.81Å; F162-M166 HydrophobicContact CE1-SD 4.49Å; F162-M166 HydrophobicContact CE2-CG 4.2Å; F162-M166 HydrophobicContact CE2-SD 4.26Å; F162-M166 HydrophobicContact CG-CG 4.39Å; F162-M166 HydrophobicContact CZ-CE 4.13Å; F162-M166 HydrophobicContact CZ-CG 3.87Å; F162-M166 HydrophobicContact CZ-SD 4Å; F162-M166 WeakPolarHBondContact O-CB 3.28Å; F162-M166 WeakPolarHBondContact O-CG 3.45Å; F162-M166 PolarHBondContact O-N 3.06Å; F162-L180 HydrophobicContact CE2-CD1 4.31Å; F162-L180 HydrophobicContact CZ-CD1 3.71Å; F162-Y183 HydrophobicContact CE2-CD2 4.11Å; F162-Y183 HydrophobicContact CE2-CG 4.34Å; F162-L184 HydrophobicContact CE1-CD2 4.32Å; F162-L184 HydrophobicContact CZ-CD2 4.28Å; F162-L189 HydrophobicContact CB-CD1 3.52Å; F162-L189 HydrophobicContact CD1-CD1 4.1Å; F162-L189 HydrophobicContact CD1-CD2 4.28Å; F162-L189 HydrophobicContact CD2-CD1 4.41Å; F162-L189 HydrophobicContact CE1-CD2 4.43Å; F162-L189 HydrophobicContact CG-CD1 3.77Å; F162-L189 HydrophobicContact CG-CD2 4.47Å; F162-F192 HydrophobicContact CB-CD2 4.25Å; F162-F192 HydrophobicContact CB-CE2 3.84Å; F162-L197 HydrophobicContact CD1-CD2 3.72Å; F162-L197 HydrophobicContact CE1-CD2 4.05Å; F162-A200 HydrophobicContact CE1-CB 4.26Å |
| 163 | V | 97.5 | Very high | 95.7 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | -178.3 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | N161 L165 M166 S167 F192 E196 L197 | N161-V163 PolarHBondContact O-N 3.36Å; V163-L165 VanDerWaalsContact C-N 3.34Å; V163-L165 PolarHBondContact O-N 3.04Å; V163-M166 PolarHBondContact O-N 3.23Å; V163-S167 PolarHBondContact O-N 3.14Å; V163-S167 PolarHBondContact O-OG 3.24Å; V163-F192 HydrophobicContact CB-CD1 3.72Å; V163-F192 HydrophobicContact CB-CD2 4.44Å; V163-F192 HydrophobicContact CB-CE1 3.74Å; V163-F192 HydrophobicContact CB-CE2 4.46Å; V163-F192 HydrophobicContact CB-CG 4.09Å; V163-F192 HydrophobicContact CB-CZ 4.13Å; V163-F192 HydrophobicContact CG2-CB 3.78Å; V163-F192 HydrophobicContact CG2-CD1 3.5Å; V163-F192 VanDerWaalsContact CG2-CD1 3.5Å; V163-F192 HydrophobicContact CG2-CD2 3.82Å; V163-F192 HydrophobicContact CG2-CE1 4.01Å; V163-F192 HydrophobicContact CG2-CE2 4.29Å; V163-F192 HydrophobicContact CG2-CG 3.39Å; V163-F192 HydrophobicContact CG2-CZ 4.38Å; V163-E196 HydrophobicContact CG1-CB 4.33Å; V163-E196 HydrophobicContact CG2-CB 3.97Å; V163-L197 HydrophobicContact CG2-CD2 4Å |
| 164 | P | 97.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 39 Ų | 39 | 33% | 0.331 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.7 | -44.2 | 171.5 | -28.4 | 33.4 | 0 | 0 | 0 | 114.1 | L130 N161 M166 S167 | L130-P164 HydrophobicContact CD1-CB 4.13Å; L130-P164 HydrophobicContact CD2-CB 4.1Å; N161-P164 VanDerWaalsContact O-CD 3.28Å; N161-P164 WeakPolarHBondContact O-CD 3.4Å; P164-M166 VanDerWaalsContact C-N 3.35Å; P164-M166 PolarHBondContact O-N 3.31Å; P164-S167 WeakPolarHBondContact O-CB 3.43Å; P164-S167 PolarHBondContact O-N 3.35Å |
| 165 | L | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 179.1 | -73.1 | 167.3 | 0 | 0 | 0 | 112.1 | L130 C133 F157 L158 N161 F162 V163 S167 R168 F171 | L130-L165 HydrophobicContact CD2-CD2 3.97Å; L130-L165 HydrophobicContact CD2-CG 4Å; C133-L165 HydrophobicContact CB-CD2 4Å; F157-L165 HydrophobicContact CE1-CD1 4.49Å; L158-L165 HydrophobicContact CD2-CD1 3.54Å; N161-L165 HydrophobicContact CB-CD1 3.98Å; N161-L165 HydrophobicContact CB-CG 4.23Å; N161-L165 WeakPolarHBondContact O-CB 3.38Å; N161-L165 WeakPolarHBondContact O-CD1 3.3Å; N161-L165 VanDerWaalsContact O-CG 3.25Å; N161-L165 WeakPolarHBondContact O-CG 3.09Å; N161-L165 PolarHBondContact O-N 3.38Å; F162-L165 PolarHBondContact O-N 2.71Å; V163-L165 VanDerWaalsContact C-N 3.34Å; V163-L165 PolarHBondContact O-N 3.04Å; L165-S167 PolarHBondContact O-N 2.8Å; L165-S167 VanDerWaalsContact O-N 3.15Å; L165-R168 WeakPolarHBondContact O-CB 3.41Å; L165-R168 PolarHBondContact O-N 2.9Å; L165-F171 HydrophobicContact CB-CD1 3.82Å; L165-F171 HydrophobicContact CB-CD2 4.33Å; L165-F171 HydrophobicContact CB-CE1 3.83Å; L165-F171 HydrophobicContact CB-CE2 4.35Å; L165-F171 HydrophobicContact CB-CG 4.07Å; L165-F171 HydrophobicContact CB-CZ 4.12Å; L165-F171 HydrophobicContact CD1-CE2 4.25Å; L165-F171 HydrophobicContact CD1-CZ 4.26Å; L165-F171 HydrophobicContact CD2-CD2 4.21Å; L165-F171 HydrophobicContact CD2-CE2 4.48Å; L165-F171 HydrophobicContact CD2-CG 4.5Å; L165-F171 WeakPolarHBondContact O-CD1 3.2Å |
| 166 | M | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.1 | -8.6 | 178.4 | -67.9 | -71.9 | -73.7 | 0 | 0 | 113.7 | F162 V163 P164 R168 F171 L172 L175 L180 A200 W204 | F162-M166 HydrophobicContact CD1-CG 4.08Å; F162-M166 HydrophobicContact CD2-CG 4.45Å; F162-M166 HydrophobicContact CE1-CE 4.47Å; F162-M166 HydrophobicContact CE1-CG 3.81Å; F162-M166 HydrophobicContact CE1-SD 4.49Å; F162-M166 HydrophobicContact CE2-CG 4.2Å; F162-M166 HydrophobicContact CE2-SD 4.26Å; F162-M166 HydrophobicContact CG-CG 4.39Å; F162-M166 HydrophobicContact CZ-CE 4.13Å; F162-M166 HydrophobicContact CZ-CG 3.87Å; F162-M166 HydrophobicContact CZ-SD 4Å; F162-M166 WeakPolarHBondContact O-CB 3.28Å; F162-M166 WeakPolarHBondContact O-CG 3.45Å; F162-M166 PolarHBondContact O-N 3.06Å; V163-M166 PolarHBondContact O-N 3.23Å; P164-M166 VanDerWaalsContact C-N 3.35Å; P164-M166 PolarHBondContact O-N 3.31Å; M166-R168 VanDerWaalsContact C-N 3.35Å; M166-F171 HydrophobicContact CG-CE1 4.43Å; M166-F171 HydrophobicContact SD-CD1 4.26Å; M166-F171 HydrophobicContact SD-CE1 3.9Å; M166-L172 HydrophobicContact CB-CD2 4.49Å; M166-L172 HydrophobicContact CE-CD2 4.12Å; M166-L172 WeakPolarHBondContact O-CD2 3.29Å; M166-L172 HydrophobicContact SD-CD2 3.89Å; M166-L175 HydrophobicContact CE-CD2 4.24Å; M166-L175 HydrophobicContact SD-CD2 3.46Å; M166-L175 WeakPolarHBondContact SD-CD2 3.37Å; M166-L180 HydrophobicContact CE-CD1 3.98Å; M166-A200 HydrophobicContact CB-CB 3.6Å; M166-A200 HydrophobicContact CE-CB 4.25Å; M166-A200 WeakPolarHBondContact CE-O 3.5Å; M166-A200 HydrophobicContact CG-CB 3.96Å; M166-W204 HydrophobicContact CE-CB 3.53Å; M166-W204 HydrophobicContact CE-CG 4.21Å |
| 167 | S | 96.3 | Very high | 95.9 | Very high | 94 Ų | 94 | 37.2 Ų | 37.2 | 66% | 0.657 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.3 | 169.9 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | V163 P164 L165 | V163-S167 PolarHBondContact O-N 3.14Å; V163-S167 PolarHBondContact O-OG 3.24Å; P164-S167 WeakPolarHBondContact O-CB 3.43Å; P164-S167 PolarHBondContact O-N 3.35Å; L165-S167 PolarHBondContact O-N 2.8Å; L165-S167 VanDerWaalsContact O-N 3.15Å |
| 168 | R | 96.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 24% | 0.242 | 23% | 0.229 | C | C | . | . | trans | -98.5 | 125.3 | -173.8 | -57.4 | -178.5 | 52.1 | 99 | -2.1 | 113.2 | L130 E131 L165 M166 D170 F171 L172 | L130-R168 WeakPolarHBondContact O-CD 3.46Å; L130-R168 VanDerWaalsContact O-CZ 3.25Å; L130-R168 PolarHBondContact O-NE 3.47Å; E131-R168 PolarHBondContact O-NH2 2.82Å; L165-R168 WeakPolarHBondContact O-CB 3.41Å; L165-R168 PolarHBondContact O-N 2.9Å; M166-R168 VanDerWaalsContact C-N 3.35Å; R168-D170 VanDerWaalsContact C-N 3.34Å; R168-D170 WeakPolarHBondContact CB-OD1 3.46Å; R168-D170 IonicContact CZ-OD1 2.79Å; R168-D170 IonicContact CZ-OD2 3.09Å; R168-D170 IonicContact NE-OD1 3.86Å; R168-D170 PolarHBondContact NE-OD1 3.45Å; R168-D170 IonicContact NE-OD2 2.67Å; R168-D170 IonicContact NH2-OD1 2.87Å; R168-D170 PolarHBondContact NH2-OD1 3.26Å; R168-D170 IonicContact NH2-OD2 2.71Å; R168-D170 PolarHBondContact NH2-OD2 3.2Å; R168-D170 PolarHBondContact O-N 2.91Å; R168-F171 HydrophobicContact CB-CB 4.16Å; R168-F171 PolarHBondContact O-N 3.43Å; R168-L172 VanDerWaalsContact O-CG 3.31Å; R168-L172 WeakPolarHBondContact O-CG 3.26Å; R168-L172 PolarHBondContact O-N 3.16Å | ||
| 169 | P | 95.1 | Very high | 95.8 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 57% | 0.571 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62 | -33.5 | -177.9 | -25.4 | 34.5 | 0 | 0 | 0 | 115.4 | S173 H207 | P169-S173 WeakPolarHBondContact O-CB 3.25Å; P169-S173 PolarHBondContact O-N 2.95Å; P169-S173 PolarHBondContact O-OG 3.4Å; P169-H207 PolarHBondContact O-CE1 2.83Å |
| 170 | D | 94.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 177.7 | 59.6 | -21.8 | 0 | 0 | 0 | 111.4 | R168 S173 Y174 | R168-D170 VanDerWaalsContact C-N 3.34Å; R168-D170 WeakPolarHBondContact CB-OD1 3.46Å; R168-D170 IonicContact CZ-OD1 2.79Å; R168-D170 IonicContact CZ-OD2 3.09Å; R168-D170 IonicContact NE-OD1 3.86Å; R168-D170 PolarHBondContact NE-OD1 3.45Å; R168-D170 IonicContact NE-OD2 2.67Å; R168-D170 IonicContact NH2-OD1 2.87Å; R168-D170 PolarHBondContact NH2-OD1 3.26Å; R168-D170 IonicContact NH2-OD2 2.71Å; R168-D170 PolarHBondContact NH2-OD2 3.2Å; R168-D170 PolarHBondContact O-N 2.91Å; D170-S173 PolarHBondContact O-N 3.35Å; D170-Y174 PolarHBondContact O-N 3.42Å |
| 171 | F | 96.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -45.8 | 175 | -173.4 | -100.5 | 0 | 0 | 0 | 111.7 | A134 M137 L158 L165 M166 R168 S173 Y174 L175 | A134-F171 HydrophobicContact CB-CB 4.43Å; A134-F171 HydrophobicContact CB-CD2 4.25Å; M137-F171 HydrophobicContact SD-CD2 4.38Å; M137-F171 HydrophobicContact SD-CE2 3.66Å; L158-F171 HydrophobicContact CD2-CE2 3.65Å; L158-F171 HydrophobicContact CD2-CZ 3.9Å; L165-F171 HydrophobicContact CB-CD1 3.82Å; L165-F171 HydrophobicContact CB-CD2 4.33Å; L165-F171 HydrophobicContact CB-CE1 3.83Å; L165-F171 HydrophobicContact CB-CE2 4.35Å; L165-F171 HydrophobicContact CB-CG 4.07Å; L165-F171 HydrophobicContact CB-CZ 4.12Å; L165-F171 HydrophobicContact CD1-CE2 4.25Å; L165-F171 HydrophobicContact CD1-CZ 4.26Å; L165-F171 HydrophobicContact CD2-CD2 4.21Å; L165-F171 HydrophobicContact CD2-CE2 4.48Å; L165-F171 HydrophobicContact CD2-CG 4.5Å; L165-F171 WeakPolarHBondContact O-CD1 3.2Å; M166-F171 HydrophobicContact CG-CE1 4.43Å; M166-F171 HydrophobicContact SD-CD1 4.26Å; M166-F171 HydrophobicContact SD-CE1 3.9Å; R168-F171 HydrophobicContact CB-CB 4.16Å; R168-F171 PolarHBondContact O-N 3.43Å; F171-S173 PolarHBondContact O-N 3.12Å; F171-Y174 PolarHBondContact O-N 3.48Å; F171-L175 HydrophobicContact CE1-CB 4.31Å; F171-L175 HydrophobicContact CE1-CD1 4.42Å; F171-L175 HydrophobicContact CE1-CD2 3.92Å; F171-L175 HydrophobicContact CE1-CG 4.46Å; F171-L175 HydrophobicContact CZ-CD1 4.23Å; F171-L175 WeakPolarHBondContact O-CB 3.14Å; F171-L175 PolarHBondContact O-N 3.1Å |
| 172 | L | 96.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -31.1 | 176.9 | -68.9 | -176.9 | 0 | 0 | 0 | 113.1 | M166 R168 A203 W204 H207 R211 | M166-L172 HydrophobicContact CB-CD2 4.49Å; M166-L172 HydrophobicContact CE-CD2 4.12Å; M166-L172 WeakPolarHBondContact O-CD2 3.29Å; M166-L172 HydrophobicContact SD-CD2 3.89Å; R168-L172 VanDerWaalsContact O-CG 3.31Å; R168-L172 WeakPolarHBondContact O-CG 3.26Å; R168-L172 PolarHBondContact O-N 3.16Å; L172-A203 HydrophobicContact CD1-CB 4.35Å; L172-W204 HydrophobicContact CD2-CB 3.79Å; L172-W204 HydrophobicContact CD2-CG 4.27Å; L172-H207 HydrophobicContact CB-CB 4.25Å; L172-H207 HydrophobicContact CD1-CB 4.16Å; L172-R211 PolarHBondContact O-NH1 3.01Å; L172-R211 PolarHBondContact O-NH2 3.16Å |
| 173 | S | 94.4 | Very high | 96 | Very high | 73 Ų | 73 | 42.6 Ų | 42.6 | 51% | 0.51 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.6 | -36.3 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | P169 D170 F171 H207 | P169-S173 WeakPolarHBondContact O-CB 3.25Å; P169-S173 PolarHBondContact O-N 2.95Å; P169-S173 PolarHBondContact O-OG 3.4Å; D170-S173 PolarHBondContact O-N 3.35Å; F171-S173 PolarHBondContact O-N 3.12Å; S173-H207 PolarHBondContact OG-NE2 2.85Å |
| 174 | Y | 92.8 | Very high | 96 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 22% | 0.216 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -84.6 | -35.5 | -177.3 | -170.5 | -103.8 | 0 | 0 | 0 | 113.8 | M137 R138 D141 D170 F171 S176 | M137-Y174 HydrophobicContact CB-CD1 4.08Å; M137-Y174 HydrophobicContact CB-CE1 3.55Å; M137-Y174 HydrophobicContact CE-CD1 4.37Å; M137-Y174 HydrophobicContact CE-CE1 4.2Å; M137-Y174 HydrophobicContact SD-CD1 4.37Å; R138-Y174 WeakPolarHBondContact CA-OH 3.41Å; R138-Y174 HydrophobicContact CB-CD2 4.29Å; R138-Y174 HydrophobicContact CB-CE2 3.69Å; R138-Y174 HydrophobicContact CG-CD2 4.45Å; R138-Y174 HydrophobicContact CG-CE2 3.77Å; D141-Y174 WeakPolarHBondContact CB-OH 3.44Å; D141-Y174 PolarHBondContact OD2-OH 2.97Å; D170-Y174 PolarHBondContact O-N 3.42Å; F171-Y174 PolarHBondContact O-N 3.48Å; Y174-S176 PolarHBondContact O-N 2.78Å; Y174-S176 VanDerWaalsContact O-N 3.13Å |
| 175 | L | 95.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -65 | 114.3 | -174.8 | -175 | 68.9 | 0 | 0 | 0 | 111.7 | M166 F171 K179 L180 Y183 W204 | M166-L175 HydrophobicContact CE-CD2 4.24Å; M166-L175 HydrophobicContact SD-CD2 3.46Å; M166-L175 WeakPolarHBondContact SD-CD2 3.37Å; F171-L175 HydrophobicContact CE1-CB 4.31Å; F171-L175 HydrophobicContact CE1-CD1 4.42Å; F171-L175 HydrophobicContact CE1-CD2 3.92Å; F171-L175 HydrophobicContact CE1-CG 4.46Å; F171-L175 HydrophobicContact CZ-CD1 4.23Å; F171-L175 WeakPolarHBondContact O-CB 3.14Å; F171-L175 PolarHBondContact O-N 3.1Å; L175-K179 HydrophobicContact CD1-CB 3.72Å; L175-L180 HydrophobicContact CD2-CB 4.04Å; L175-L180 HydrophobicContact CD2-CD1 4.04Å; L175-L180 HydrophobicContact CG-CB 4.28Å; L175-Y183 HydrophobicContact CD1-CD2 4.2Å; L175-Y183 HydrophobicContact CD1-CE2 3.92Å; L175-W204 PolarHBondContact O-NE1 3.07Å | ||
| 176 | S | 94.5 | Very high | 95.8 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | trans | -75.6 | 163 | 176.4 | 90.9 | 0 | 0 | 0 | 0 | 112.2 | Y174 E178 K179 L180 | Y174-S176 PolarHBondContact O-N 2.78Å; Y174-S176 VanDerWaalsContact O-N 3.13Å; S176-E178 VanDerWaalsContact C-N 3.3Å; S176-E178 VanDerWaalsContact CB-OE2 3.26Å; S176-E178 WeakPolarHBondContact CB-OE2 3.38Å; S176-E178 PolarHBondContact O-N 3.42Å; S176-E178 PolarHBondContact OG-N 3.47Å; S176-E178 PolarHBondContact OG-OE2 3.19Å; S176-K179 PolarHBondContact O-N 3.19Å; S176-K179 PolarHBondContact OG-N 2.83Å; S176-L180 WeakPolarHBondContact O-CB 3.4Å; S176-L180 PolarHBondContact O-N 3.27Å | ||
| 177 | F | 97.2 | Very high | 95.7 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 174.9 | 167.3 | -106.7 | 0 | 0 | 0 | 111.5 | L180 M181 W204 H214 T217 I218 | F177-L180 PolarHBondContact O-N 2.99Å; F177-M181 HydrophobicContact CD2-CG 4.04Å; F177-M181 HydrophobicContact CE1-CG 4.2Å; F177-M181 HydrophobicContact CE2-CG 3.59Å; F177-M181 HydrophobicContact CE2-SD 3.91Å; F177-M181 HydrophobicContact CZ-CG 3.69Å; F177-M181 HydrophobicContact CZ-SD 4.14Å; F177-M181 WeakPolarHBondContact O-CB 3.22Å; F177-M181 WeakPolarHBondContact O-CG 3.41Å; F177-M181 PolarHBondContact O-N 2.98Å; F177-W204 HydrophobicContact CB-CH2 4.07Å; F177-W204 HydrophobicContact CB-CZ2 4.33Å; F177-W204 HydrophobicContact CD2-CH2 4.3Å; F177-H214 HydrophobicContact CD2-CB 3.85Å; F177-H214 AromaticContact CD2-CG 3.84Å; F177-H214 HydrophobicContact CE2-CB 3.76Å; F177-H214 AromaticContact CE2-CG 4Å; F177-T217 HydrophobicContact CZ-CG2 3.96Å; F177-I218 HydrophobicContact CD2-CD1 4.08Å; F177-I218 HydrophobicContact CD2-CG1 4.08Å; F177-I218 HydrophobicContact CE2-CD1 4.14Å; F177-I218 HydrophobicContact CE2-CG1 3.68Å |
| 178 | E | 96.2 | Very high | 95.5 | Very high | 126 Ų | 126 | 47.8 Ų | 47.8 | 59% | 0.589 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | -178.2 | -57.3 | 71.8 | -154.6 | 0 | 0 | 111.2 | S176 M181 S182 | S176-E178 VanDerWaalsContact C-N 3.3Å; S176-E178 VanDerWaalsContact CB-OE2 3.26Å; S176-E178 WeakPolarHBondContact CB-OE2 3.38Å; S176-E178 PolarHBondContact O-N 3.42Å; S176-E178 PolarHBondContact OG-N 3.47Å; S176-E178 PolarHBondContact OG-OE2 3.19Å; E178-M181 PolarHBondContact O-N 2.49Å; E178-S182 PolarHBondContact O-N 2.96Å; E178-S182 PolarHBondContact O-OG 2.97Å |
| 179 | K | 93.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 21% | 0.213 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 176.9 | -71.3 | -171.2 | 176.2 | -170.3 | 0 | 112 | M137 D141 L175 S176 M181 S182 Y183 | M137-K179 HydrophobicContact CE-CD 4.15Å; D141-K179 IonicContact OD1-NZ 3.12Å; D141-K179 PolarHBondContact OD1-NZ 2.97Å; D141-K179 IonicContact OD2-NZ 3.97Å; D141-K179 PolarHBondContact OD2-NZ 3.07Å; L175-K179 HydrophobicContact CD1-CB 3.72Å; S176-K179 PolarHBondContact O-N 3.19Å; S176-K179 PolarHBondContact OG-N 2.83Å; K179-M181 VanDerWaalsContact C-N 3.31Å; K179-M181 PolarHBondContact O-N 3.2Å; K179-S182 WeakPolarHBondContact CA-OG 3.42Å; K179-S182 PolarHBondContact O-N 3.25Å; K179-S182 PolarHBondContact O-OG 3.29Å; K179-Y183 HydrophobicContact CB-CE2 4.11Å; K179-Y183 WeakPolarHBondContact O-CD2 3.45Å; K179-Y183 PolarHBondContact O-N 2.88Å |
| 180 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 174.5 | 175.5 | 61.6 | 0 | 0 | 0 | 111 | F162 M166 L175 S176 F177 Y183 L184 V201 W204 I218 | F162-L180 HydrophobicContact CE2-CD1 4.31Å; F162-L180 HydrophobicContact CZ-CD1 3.71Å; M166-L180 HydrophobicContact CE-CD1 3.98Å; L175-L180 HydrophobicContact CD2-CB 4.04Å; L175-L180 HydrophobicContact CD2-CD1 4.04Å; L175-L180 HydrophobicContact CG-CB 4.28Å; S176-L180 WeakPolarHBondContact O-CB 3.4Å; S176-L180 PolarHBondContact O-N 3.27Å; F177-L180 PolarHBondContact O-N 2.99Å; L180-Y183 PolarHBondContact O-N 3.39Å; L180-L184 HydrophobicContact CD1-CD1 3.88Å; L180-L184 HydrophobicContact CD1-CG 4.05Å; L180-L184 HydrophobicContact CG-CD1 3.95Å; L180-L184 HydrophobicContact CG-CG 4.47Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 3.42Å; L180-V201 HydrophobicContact CD1-CG2 4.44Å; L180-W204 HydrophobicContact CD2-CD2 3.57Å; L180-W204 HydrophobicContact CD2-CE3 3.55Å; L180-W204 HydrophobicContact CD2-CG 4.06Å; L180-W204 HydrophobicContact CD2-CH2 4.28Å; L180-W204 HydrophobicContact CD2-CZ2 4.29Å; L180-W204 HydrophobicContact CD2-CZ3 3.93Å; L180-I218 HydrophobicContact CD2-CD1 3.95Å; L180-I218 HydrophobicContact CD2-CG2 4.31Å |
| 181 | M | 97.9 | Very high | 95.1 | Very high | 38 Ų | 38 | 43 Ų | 43 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -42 | 178.6 | -71.3 | -70.1 | -66.7 | 0 | 0 | 112.1 | F177 E178 K179 Y183 L184 D185 T217 I218 N221 | F177-M181 HydrophobicContact CD2-CG 4.04Å; F177-M181 HydrophobicContact CE1-CG 4.2Å; F177-M181 HydrophobicContact CE2-CG 3.59Å; F177-M181 HydrophobicContact CE2-SD 3.91Å; F177-M181 HydrophobicContact CZ-CG 3.69Å; F177-M181 HydrophobicContact CZ-SD 4.14Å; F177-M181 WeakPolarHBondContact O-CB 3.22Å; F177-M181 WeakPolarHBondContact O-CG 3.41Å; F177-M181 PolarHBondContact O-N 2.98Å; E178-M181 PolarHBondContact O-N 2.49Å; K179-M181 VanDerWaalsContact C-N 3.31Å; K179-M181 PolarHBondContact O-N 3.2Å; M181-Y183 VanDerWaalsContact C-N 3.32Å; M181-Y183 PolarHBondContact O-N 3.17Å; M181-L184 PolarHBondContact O-N 3.45Å; M181-D185 WeakPolarHBondContact O-CB 3.42Å; M181-D185 PolarHBondContact O-N 2.95Å; M181-T217 HydrophobicContact CE-CG2 3.87Å; M181-I218 HydrophobicContact SD-CB 4.36Å; M181-I218 HydrophobicContact SD-CG1 3.96Å; M181-N221 WeakPolarHBondContact CE-ND2 3.31Å |
| 182 | S | 95.8 | Very high | 95 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 44% | 0.441 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -37.4 | 176.9 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | E178 K179 N186 | E178-S182 PolarHBondContact O-N 2.96Å; E178-S182 PolarHBondContact O-OG 2.97Å; K179-S182 WeakPolarHBondContact CA-OG 3.42Å; K179-S182 PolarHBondContact O-N 3.25Å; K179-S182 PolarHBondContact O-OG 3.29Å; S182-N186 PolarHBondContact O-N 3.05Å |
| 183 | Y | 96.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.8 | -42.5 | 176.5 | -61.8 | -42 | 0 | 0 | 0 | 112.1 | D155 L158 L159 F162 L175 K179 L180 M181 D185 N186 L189 | D155-Y183 WeakPolarHBondContact OD1-CE1 3.39Å; D155-Y183 PolarHBondContact OD1-OH 3.29Å; L158-Y183 HydrophobicContact CD1-CE1 4.41Å; L158-Y183 HydrophobicContact CD1-CE2 4.28Å; L158-Y183 WeakPolarHBondContact CD1-OH 3.39Å; L159-Y183 HydrophobicContact CD2-CD1 3.98Å; L159-Y183 HydrophobicContact CG-CD1 4.48Å; F162-Y183 HydrophobicContact CE2-CD2 4.11Å; F162-Y183 HydrophobicContact CE2-CG 4.34Å; L175-Y183 HydrophobicContact CD1-CD2 4.2Å; L175-Y183 HydrophobicContact CD1-CE2 3.92Å; K179-Y183 HydrophobicContact CB-CE2 4.11Å; K179-Y183 WeakPolarHBondContact O-CD2 3.45Å; K179-Y183 PolarHBondContact O-N 2.88Å; L180-Y183 PolarHBondContact O-N 3.39Å; M181-Y183 VanDerWaalsContact C-N 3.32Å; M181-Y183 PolarHBondContact O-N 3.17Å; Y183-D185 VanDerWaalsContact C-N 3.3Å; Y183-D185 PolarHBondContact O-N 3.49Å; Y183-N186 WeakPolarHBondContact O-CB 3.15Å; Y183-N186 PolarHBondContact O-N 3.1Å; Y183-N186 VanDerWaalsContact O-N 3.16Å; Y183-L189 WeakPolarHBondContact O-CD2 3.4Å |
| 184 | L | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.7 | -23.4 | 178.4 | -67.8 | 175.2 | 0 | 0 | 0 | 113.7 | F162 L180 M181 N186 L189 V201 I218 N221 I222 R276 | F162-L184 HydrophobicContact CE1-CD2 4.32Å; F162-L184 HydrophobicContact CZ-CD2 4.28Å; L180-L184 HydrophobicContact CD1-CD1 3.88Å; L180-L184 HydrophobicContact CD1-CG 4.05Å; L180-L184 HydrophobicContact CG-CD1 3.95Å; L180-L184 HydrophobicContact CG-CG 4.47Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 3.42Å; M181-L184 PolarHBondContact O-N 3.45Å; L184-N186 VanDerWaalsContact C-N 3.35Å; L184-L189 HydrophobicContact CD2-CD2 4.18Å; L184-V201 HydrophobicContact CD1-CG2 3.65Å; L184-V201 HydrophobicContact CD2-CG2 4.13Å; L184-V201 HydrophobicContact CG-CG2 4.48Å; L184-I218 HydrophobicContact CD1-CG2 3.55Å; L184-N221 HydrophobicContact CB-CB 3.79Å; L184-I222 HydrophobicContact CD2-CD1 3.95Å; L184-R276 PolarHBondContact O-NH1 3.47Å; L184-R276 PolarHBondContact O-NH2 3.34Å |
| 185 | D | 95.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 40.1 Ų | 40.1 | 48% | 0.476 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -80.6 | -20.6 | 173.3 | -162 | 51.9 | 0 | 0 | 0 | 112.2 | M181 Y183 D187 K271 | M181-D185 WeakPolarHBondContact O-CB 3.42Å; M181-D185 PolarHBondContact O-N 2.95Å; Y183-D185 VanDerWaalsContact C-N 3.3Å; Y183-D185 PolarHBondContact O-N 3.49Å; D185-D187 PolarHBondContact O-N 2.8Å; D185-K271 WeakPolarHBondContact OD1-CE 3.5Å; D185-K271 IonicContact OD1-NZ 3.37Å; D185-K271 PolarHBondContact OD1-NZ 3.25Å |
| 186 | N | 95.3 | Very high | 95.3 | Very high | 53 Ų | 53 | 43.4 Ų | 43.4 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | trans | -73.2 | 126.1 | -173.6 | -162.2 | -27.4 | 0 | 0 | 0 | 113 | L159 S182 Y183 L184 H188 L189 R276 | L159-N186 HydrophobicContact CD2-CB 4.24Å; S182-N186 PolarHBondContact O-N 3.05Å; Y183-N186 WeakPolarHBondContact O-CB 3.15Å; Y183-N186 PolarHBondContact O-N 3.1Å; Y183-N186 VanDerWaalsContact O-N 3.16Å; L184-N186 VanDerWaalsContact C-N 3.35Å; N186-H188 PolarHBondContact O-N 2.7Å; N186-H188 VanDerWaalsContact OD1-CB 3.28Å; N186-H188 WeakPolarHBondContact OD1-CB 3.22Å; N186-H188 PolarHBondContact OD1-CD2 2.99Å; N186-H188 VanDerWaalsContact OD1-CD2 3.27Å; N186-H188 PolarHBondContact OD1-N 2.7Å; N186-L189 WeakPolarHBondContact O-CB 3.37Å; N186-L189 PolarHBondContact O-N 2.72Å; N186-R276 PolarHBondContact O-NH1 3.4Å | ||
| 187 | D | 94.4 | Very high | 95.4 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12.4 | 176.3 | -85.2 | -32.3 | 0 | 0 | 0 | 113.3 | D185 L189 R223 K274 R276 S277 A278 | D185-D187 PolarHBondContact O-N 2.8Å; D187-L189 VanDerWaalsContact C-N 3.27Å; D187-R223 IonicContact OD1-CZ 3.48Å; D187-R223 IonicContact OD1-NH1 3.59Å; D187-R223 PolarHBondContact OD1-NH1 3.41Å; D187-R223 IonicContact OD1-NH2 3.07Å; D187-R223 PolarHBondContact OD1-NH2 3.38Å; D187-K274 IonicContact OD2-NZ 2.58Å; D187-K274 PolarHBondContact OD2-NZ 2.87Å; D187-R276 CarbonylContact O-C 3.54Å; D187-S277 PolarHBondContact O-N 3.13Å; D187-A278 PolarHBondContact O-N 3.19Å |
| 188 | H | 93.1 | Very high | 95.5 | Very high | 104 Ų | 104 | 39.4 Ų | 39.4 | 48% | 0.481 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -9.4 | 170.4 | -71.1 | -83.4 | 0 | 0 | 0 | 113.6 | L159 N186 S190 A278 | L159-H188 HydrophobicContact CD1-CB 3.86Å; N186-H188 PolarHBondContact O-N 2.7Å; N186-H188 VanDerWaalsContact OD1-CB 3.28Å; N186-H188 WeakPolarHBondContact OD1-CB 3.22Å; N186-H188 PolarHBondContact OD1-CD2 2.99Å; N186-H188 VanDerWaalsContact OD1-CD2 3.27Å; N186-H188 PolarHBondContact OD1-N 2.7Å; H188-S190 PolarHBondContact O-N 3.48Å; H188-S190 PolarHBondContact O-OG 2.77Å; H188-A278 WeakPolarHBondContact CE1-CB 3.47Å; H188-A278 WeakPolarHBondContact ND1-CB 3.35Å; H188-A278 WeakPolarHBondContact NE2-CB 3.45Å |
| 189 | L | 94.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -76.8 | 48.5 | 170 | -169.2 | 60.1 | 0 | 0 | 0 | 110.7 | L159 F162 Y183 L184 N186 D187 F192 L197 R276 | L159-L189 HydrophobicContact CD2-CB 4.05Å; L159-L189 HydrophobicContact CD2-CD1 4.17Å; F162-L189 HydrophobicContact CB-CD1 3.52Å; F162-L189 HydrophobicContact CD1-CD1 4.1Å; F162-L189 HydrophobicContact CD1-CD2 4.28Å; F162-L189 HydrophobicContact CD2-CD1 4.41Å; F162-L189 HydrophobicContact CE1-CD2 4.43Å; F162-L189 HydrophobicContact CG-CD1 3.77Å; F162-L189 HydrophobicContact CG-CD2 4.47Å; Y183-L189 WeakPolarHBondContact O-CD2 3.4Å; L184-L189 HydrophobicContact CD2-CD2 4.18Å; N186-L189 WeakPolarHBondContact O-CB 3.37Å; N186-L189 PolarHBondContact O-N 2.72Å; D187-L189 VanDerWaalsContact C-N 3.27Å; L189-F192 HydrophobicContact CD1-CD2 4.06Å; L189-F192 HydrophobicContact CD1-CE2 4.45Å; L189-L197 HydrophobicContact CD1-CD2 4.22Å; L189-L197 HydrophobicContact CD2-CD1 3.86Å; L189-L197 HydrophobicContact CD2-CD2 3.77Å; L189-L197 HydrophobicContact CD2-CG 4.46Å; L189-L197 HydrophobicContact CG-CD1 4.07Å; L189-L197 HydrophobicContact CG-CD2 3.94Å; L189-R276 WeakPolarHBondContact O-CD 3.31Å | ||
| 190 | S | 90.8 | Very high | 95.7 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | trans | -89.3 | -15.6 | -170.6 | 44.1 | 0 | 0 | 0 | 0 | 114.2 | H188 F192 R276 E594 | H188-S190 PolarHBondContact O-N 3.48Å; H188-S190 PolarHBondContact O-OG 2.77Å; S190-F192 VanDerWaalsContact C-N 3.31Å; S190-F192 PolarHBondContact O-N 3.36Å; S190-R276 WeakPolarHBondContact CB-O 3.43Å; S190-E594 WeakPolarHBondContact O-CB 3.16Å; S190-E594 PolarHBondContact O-N 3.45Å; S190-E594 PolarHBondContact OG-OE2 3.49Å | ||
| 191 | R | 92 | Very high | 95.8 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 35% | 0.351 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -68.8 | -24.9 | -174.7 | -173.9 | 170.7 | -169.9 | 151.3 | 9.9 | 114.2 | E160 Y595 E598 | E160-R191 WeakPolarHBondContact O-CD 3.34Å; R191-Y595 WeakPolarHBondContact O-CB 3.28Å; R191-E598 IonicContact CZ-OE1 2.74Å; R191-E598 IonicContact NE-OE1 3.27Å; R191-E598 PolarHBondContact NE-OE1 3.02Å; R191-E598 VanDerWaalsContact NE-OE1 3.07Å; R191-E598 IonicContact NH2-OE1 3.82Å; R191-E598 PolarHBondContact NH2-OE1 3.22Å |
| 192 | F | 93.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -112.5 | 136.8 | -173 | -55.8 | -72.8 | 0 | 0 | 0 | 111.2 | E160 F162 V163 L189 S190 L197 | E160-F192 WeakPolarHBondContact O-CZ 3.45Å; F162-F192 HydrophobicContact CB-CD2 4.25Å; F162-F192 HydrophobicContact CB-CE2 3.84Å; V163-F192 HydrophobicContact CB-CD1 3.72Å; V163-F192 HydrophobicContact CB-CD2 4.44Å; V163-F192 HydrophobicContact CB-CE1 3.74Å; V163-F192 HydrophobicContact CB-CE2 4.46Å; V163-F192 HydrophobicContact CB-CG 4.09Å; V163-F192 HydrophobicContact CB-CZ 4.13Å; V163-F192 HydrophobicContact CG2-CB 3.78Å; V163-F192 HydrophobicContact CG2-CD1 3.5Å; V163-F192 VanDerWaalsContact CG2-CD1 3.5Å; V163-F192 HydrophobicContact CG2-CD2 3.82Å; V163-F192 HydrophobicContact CG2-CE1 4.01Å; V163-F192 HydrophobicContact CG2-CE2 4.29Å; V163-F192 HydrophobicContact CG2-CG 3.39Å; V163-F192 HydrophobicContact CG2-CZ 4.38Å; L189-F192 HydrophobicContact CD1-CD2 4.06Å; L189-F192 HydrophobicContact CD1-CE2 4.45Å; S190-F192 VanDerWaalsContact C-N 3.31Å; S190-F192 PolarHBondContact O-N 3.36Å; F192-L197 HydrophobicContact CB-CD2 3.78Å; F192-L197 HydrophobicContact CB-CG 4.15Å; F192-L197 HydrophobicContact CD2-CD2 4.24Å; F192-L197 HydrophobicContact CG-CD2 4.35Å |
| 193 | P | 94.8 | Very high | 95.8 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 21% | 0.208 | 16% | 0.16 | C | C | . | . | trans | -56.4 | 144.3 | 166.4 | -24.2 | 34.2 | 0 | 0 | 0 | 111.4 | I195 E196 L197 Y595 | P193-I195 HydrophobicContact CB-CG2 4.02Å; P193-I195 PolarHBondContact O-N 3.15Å; P193-E196 PolarHBondContact O-N 2.96Å; P193-L197 PolarHBondContact O-N 3.48Å; P193-Y595 HydrophobicContact CB-CE1 4.42Å; P193-Y595 HydrophobicContact CG-CD1 4.09Å; P193-Y595 HydrophobicContact CG-CD2 4.18Å; P193-Y595 HydrophobicContact CG-CE1 4.39Å; P193-Y595 HydrophobicContact CG-CG 3.98Å | ||
| 194 | E | 95.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.2 | -29.3 | -178.4 | -73.8 | -69.9 | 159.3 | 0 | 0 | 113.4 | E196 L197 Y198 R223 L226 M227 R276 | E194-E196 VanDerWaalsContact C-N 3.33Å; E194-E196 PolarHBondContact O-N 3.29Å; E194-L197 PolarHBondContact O-N 3.07Å; E194-Y198 PolarHBondContact O-N 2.9Å; E194-R223 HydrophobicContact CG-CB 3.92Å; E194-R223 WeakPolarHBondContact CG-O 3.48Å; E194-R223 WeakPolarHBondContact OE1-CB 3.42Å; E194-R223 WeakPolarHBondContact OE1-CG 3.26Å; E194-R223 PolarHBondContact OE2-N 2.85Å; E194-L226 HydrophobicContact CG-CB 3.9Å; E194-L226 HydrophobicContact CG-CD1 4.12Å; E194-M227 HydrophobicContact CB-CE 3.92Å; E194-M227 HydrophobicContact CB-CG 3.81Å; E194-M227 WeakPolarHBondContact O-CE 3.42Å; E194-R276 WeakPolarHBondContact OE1-CD 3.5Å; E194-R276 IonicContact OE1-CZ 3.4Å; E194-R276 IonicContact OE1-NE 2.72Å; E194-R276 PolarHBondContact OE1-NE 3.16Å; E194-R276 IonicContact OE1-NH2 3.67Å; E194-R276 IonicContact OE2-NH2 2.77Å |
| 195 | I | 96.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 11% | 0.113 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.9 | -176 | 60.6 | 0 | 0 | 0 | 112.3 | P193 Y198 E199 M227 K235 V236 | P193-I195 HydrophobicContact CB-CG2 4.02Å; P193-I195 PolarHBondContact O-N 3.15Å; I195-Y198 HydrophobicContact CD1-CD1 4.47Å; I195-Y198 PolarHBondContact O-N 2.89Å; I195-E199 WeakPolarHBondContact O-CG 3.2Å; I195-E199 PolarHBondContact O-N 2.94Å; I195-M227 HydrophobicContact CB-CG 4.45Å; I195-M227 HydrophobicContact CB-SD 4.45Å; I195-M227 HydrophobicContact CD1-SD 4.2Å; I195-K235 HydrophobicContact CD1-CB 3.77Å; I195-K235 HydrophobicContact CD1-CD 3.62Å; I195-K235 HydrophobicContact CD1-CG 4.34Å; I195-K235 HydrophobicContact CG1-CD 3.51Å; I195-V236 HydrophobicContact CD1-CG2 4.24Å |
| 196 | E | 97.3 | Very high | 96 | Very high | 71 Ų | 71 | 32.7 Ų | 32.7 | 33% | 0.332 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -71.2 | -36.4 | 177.3 | -63.9 | -178.6 | -162.9 | 0 | 0 | 111 | V163 P193 E194 Y198 E199 A200 | V163-E196 HydrophobicContact CG1-CB 4.33Å; V163-E196 HydrophobicContact CG2-CB 3.97Å; P193-E196 PolarHBondContact O-N 2.96Å; E194-E196 VanDerWaalsContact C-N 3.33Å; E194-E196 PolarHBondContact O-N 3.29Å; E196-Y198 VanDerWaalsContact C-N 3.32Å; E196-Y198 PolarHBondContact O-N 3.36Å; E196-E199 PolarHBondContact O-N 3.39Å; E196-A200 WeakPolarHBondContact O-CB 3.41Å; E196-A200 PolarHBondContact O-N 3.04Å |
| 197 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 172.9 | -61.2 | -176.1 | 0 | 0 | 0 | 111.5 | F162 V163 L189 F192 P193 E194 A200 V201 I222 | F162-L197 HydrophobicContact CD1-CD2 3.72Å; F162-L197 HydrophobicContact CE1-CD2 4.05Å; V163-L197 HydrophobicContact CG2-CD2 4Å; L189-L197 HydrophobicContact CD1-CD2 4.22Å; L189-L197 HydrophobicContact CD2-CD1 3.86Å; L189-L197 HydrophobicContact CD2-CD2 3.77Å; L189-L197 HydrophobicContact CD2-CG 4.46Å; L189-L197 HydrophobicContact CG-CD1 4.07Å; L189-L197 HydrophobicContact CG-CD2 3.94Å; F192-L197 HydrophobicContact CB-CD2 3.78Å; F192-L197 HydrophobicContact CB-CG 4.15Å; F192-L197 HydrophobicContact CD2-CD2 4.24Å; F192-L197 HydrophobicContact CG-CD2 4.35Å; P193-L197 PolarHBondContact O-N 3.48Å; E194-L197 PolarHBondContact O-N 3.07Å; L197-A200 PolarHBondContact O-N 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.25Å; L197-V201 PolarHBondContact O-N 3.27Å; L197-I222 HydrophobicContact CB-CD1 4.09Å |
| 198 | Y | 98 | Very high | 96.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 174.8 | 177.4 | -106 | 0 | 0 | 0 | 111.8 | E194 I195 E196 A200 V201 Q202 I219 F224 M227 V236 L248 | E194-Y198 PolarHBondContact O-N 2.9Å; I195-Y198 HydrophobicContact CD1-CD1 4.47Å; I195-Y198 PolarHBondContact O-N 2.89Å; E196-Y198 VanDerWaalsContact C-N 3.32Å; E196-Y198 PolarHBondContact O-N 3.36Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.28Å; Y198-V201 WeakPolarHBondContact O-CB 3.49Å; Y198-V201 PolarHBondContact O-N 2.92Å; Y198-Q202 HydrophobicContact CD1-CG 4.38Å; Y198-Q202 VanDerWaalsContact CE1-CD 3.41Å; Y198-Q202 HydrophobicContact CE1-CG 3.99Å; Y198-Q202 HydrophobicContact CE2-CG 4.37Å; Y198-Q202 WeakPolarHBondContact O-CG 3.2Å; Y198-Q202 PolarHBondContact O-N 3.48Å; Y198-Q202 PolarHBondContact OH-NE2 3.35Å; Y198-I219 HydrophobicContact CE2-CG2 4.43Å; Y198-F224 HydrophobicContact CD2-CE1 4.07Å; Y198-F224 HydrophobicContact CD2-CZ 4.1Å; Y198-F224 HydrophobicContact CE2-CE1 4.31Å; Y198-F224 HydrophobicContact CE2-CZ 4.27Å; Y198-M227 HydrophobicContact CG-CE 4.42Å; Y198-V236 HydrophobicContact CD1-CG2 3.86Å; Y198-V236 HydrophobicContact CE1-CB 4.11Å; Y198-V236 HydrophobicContact CE1-CG1 4.08Å; Y198-V236 HydrophobicContact CE1-CG2 3.78Å; Y198-V236 HydrophobicContact CE2-CG1 4.48Å; Y198-L248 HydrophobicContact CE2-CD1 4.21Å; Y198-L248 HydrophobicContact CE2-CD2 4.33Å; Y198-L248 WeakPolarHBondContact OH-CD2 3.4Å |
| 199 | E | 97.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 39 Ų | 39 | 30% | 0.304 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62 | -40.6 | 176.5 | -72.3 | 177.3 | 137.9 | 0 | 0 | 112.1 | I195 E196 Q202 A203 K235 | I195-E199 WeakPolarHBondContact O-CG 3.2Å; I195-E199 PolarHBondContact O-N 2.94Å; E196-E199 PolarHBondContact O-N 3.39Å; E199-Q202 WeakPolarHBondContact O-CB 3.24Å; E199-Q202 PolarHBondContact O-N 3.06Å; E199-A203 PolarHBondContact O-N 2.75Å; E199-K235 WeakPolarHBondContact OE1-CD 3.47Å; E199-K235 WeakPolarHBondContact OE1-CE 3.36Å; E199-K235 IonicContact OE1-NZ 2.76Å; E199-K235 PolarHBondContact OE1-NZ 3.4Å; E199-K235 IonicContact OE2-NZ 2.73Å; E199-K235 PolarHBondContact OE2-NZ 3.46Å |
| 200 | A | 98.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 5% | 0.05 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F162 M166 E196 L197 Y198 Q202 A203 W204 | F162-A200 HydrophobicContact CE1-CB 4.26Å; M166-A200 HydrophobicContact CB-CB 3.6Å; M166-A200 HydrophobicContact CE-CB 4.25Å; M166-A200 WeakPolarHBondContact CE-O 3.5Å; M166-A200 HydrophobicContact CG-CB 3.96Å; E196-A200 WeakPolarHBondContact O-CB 3.41Å; E196-A200 PolarHBondContact O-N 3.04Å; L197-A200 PolarHBondContact O-N 3.31Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.28Å; A200-Q202 VanDerWaalsContact C-N 3.29Å; A200-Q202 PolarHBondContact O-N 3.36Å; A200-A203 WeakPolarHBondContact O-CB 3.32Å; A200-A203 PolarHBondContact O-N 3.25Å; A200-A203 VanDerWaalsContact O-N 3.12Å; A200-W204 PolarHBondContact O-N 3.2Å; A200-W204 VanDerWaalsContact O-N 3.1Å |
| 201 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 174.3 | 163.7 | 0 | 0 | 0 | 0 | 111.6 | L180 L184 L197 Y198 A203 W204 L205 I218 I222 | L180-V201 HydrophobicContact CD1-CG2 4.44Å; L184-V201 HydrophobicContact CD1-CG2 3.65Å; L184-V201 HydrophobicContact CD2-CG2 4.13Å; L184-V201 HydrophobicContact CG-CG2 4.48Å; L197-V201 WeakPolarHBondContact O-CG2 3.25Å; L197-V201 PolarHBondContact O-N 3.27Å; Y198-V201 WeakPolarHBondContact O-CB 3.49Å; Y198-V201 PolarHBondContact O-N 2.92Å; V201-A203 VanDerWaalsContact C-N 3.32Å; V201-A203 PolarHBondContact O-N 3.44Å; V201-W204 PolarHBondContact O-N 2.93Å; V201-L205 HydrophobicContact CG1-CD1 3.91Å; V201-L205 HydrophobicContact CG1-CG 4.34Å; V201-L205 WeakPolarHBondContact O-CG 3.48Å; V201-L205 PolarHBondContact O-N 3.16Å; V201-I218 HydrophobicContact CB-CG2 4.4Å; V201-I218 HydrophobicContact CG1-CG2 3.52Å; V201-I218 HydrophobicContact CG2-CG2 3.91Å; V201-I222 HydrophobicContact CG2-CD1 4.22Å |
| 202 | Q | 97.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 175.9 | -67.2 | 178.2 | -43.9 | 0 | 0 | 111.9 | Y198 E199 A200 W204 L205 R206 S239 F241 | Y198-Q202 HydrophobicContact CD1-CG 4.38Å; Y198-Q202 VanDerWaalsContact CE1-CD 3.41Å; Y198-Q202 HydrophobicContact CE1-CG 3.99Å; Y198-Q202 HydrophobicContact CE2-CG 4.37Å; Y198-Q202 WeakPolarHBondContact O-CG 3.2Å; Y198-Q202 PolarHBondContact O-N 3.48Å; Y198-Q202 PolarHBondContact OH-NE2 3.35Å; E199-Q202 WeakPolarHBondContact O-CB 3.24Å; E199-Q202 PolarHBondContact O-N 3.06Å; A200-Q202 VanDerWaalsContact C-N 3.29Å; A200-Q202 PolarHBondContact O-N 3.36Å; Q202-W204 VanDerWaalsContact C-N 3.34Å; Q202-W204 PolarHBondContact O-N 3.3Å; Q202-L205 PolarHBondContact O-N 2.89Å; Q202-R206 WeakPolarHBondContact O-CB 3.48Å; Q202-R206 VanDerWaalsContact O-CG 3.24Å; Q202-R206 WeakPolarHBondContact O-CG 3.41Å; Q202-R206 PolarHBondContact O-N 3.2Å; Q202-S239 PolarHBondContact NE2-OG 3.5Å; Q202-F241 HydrophobicContact CB-CD2 4.42Å; Q202-F241 HydrophobicContact CB-CE2 3.99Å; Q202-F241 HydrophobicContact CG-CD2 3.9Å; Q202-F241 HydrophobicContact CG-CE2 3.98Å |
| 203 | A | 97.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 26% | 0.256 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L172 E199 A200 V201 L205 R206 H207 | L172-A203 HydrophobicContact CD1-CB 4.35Å; E199-A203 PolarHBondContact O-N 2.75Å; A200-A203 WeakPolarHBondContact O-CB 3.32Å; A200-A203 PolarHBondContact O-N 3.25Å; A200-A203 VanDerWaalsContact O-N 3.12Å; V201-A203 VanDerWaalsContact C-N 3.32Å; V201-A203 PolarHBondContact O-N 3.44Å; A203-L205 PolarHBondContact O-N 3.1Å; A203-R206 PolarHBondContact O-N 3.39Å; A203-H207 PolarHBondContact O-N 3.43Å |
| 204 | W | 98.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | 177 | -177.3 | 92.4 | 0 | 0 | 0 | 113.9 | M166 L172 L175 F177 L180 A200 V201 Q202 R211 I218 | M166-W204 HydrophobicContact CE-CB 3.53Å; M166-W204 HydrophobicContact CE-CG 4.21Å; L172-W204 HydrophobicContact CD2-CB 3.79Å; L172-W204 HydrophobicContact CD2-CG 4.27Å; L175-W204 PolarHBondContact O-NE1 3.07Å; F177-W204 HydrophobicContact CB-CH2 4.07Å; F177-W204 HydrophobicContact CB-CZ2 4.33Å; F177-W204 HydrophobicContact CD2-CH2 4.3Å; L180-W204 HydrophobicContact CD2-CD2 3.57Å; L180-W204 HydrophobicContact CD2-CE3 3.55Å; L180-W204 HydrophobicContact CD2-CG 4.06Å; L180-W204 HydrophobicContact CD2-CH2 4.28Å; L180-W204 HydrophobicContact CD2-CZ2 4.29Å; L180-W204 HydrophobicContact CD2-CZ3 3.93Å; A200-W204 PolarHBondContact O-N 3.2Å; A200-W204 VanDerWaalsContact O-N 3.1Å; V201-W204 PolarHBondContact O-N 2.93Å; Q202-W204 VanDerWaalsContact C-N 3.34Å; Q202-W204 PolarHBondContact O-N 3.3Å; W204-R211 VanDerWaalsContact CD1-NH1 3.26Å; W204-R211 HydrophobicContact CE3-CB 4.25Å; W204-R211 HydrophobicContact CH2-CB 3.99Å; W204-R211 HydrophobicContact CH2-CG 3.84Å; W204-R211 HydrophobicContact CZ2-CG 4.21Å; W204-R211 HydrophobicContact CZ3-CB 3.69Å; W204-R211 HydrophobicContact CZ3-CG 4.01Å; W204-R211 VanDerWaalsContact NE1-NH1 3.17Å; W204-R211 VanDerWaalsContact O-CD 3.28Å; W204-R211 WeakPolarHBondContact O-CD 3.21Å; W204-R211 PolarHBondContact O-NH1 3.4Å; W204-R211 VanDerWaalsContact O-NH1 3.09Å; W204-I218 HydrophobicContact CE3-CD1 4Å; W204-I218 HydrophobicContact CH2-CD1 4.2Å; W204-I218 HydrophobicContact CZ3-CD1 3.4Å; W204-I218 VanDerWaalsContact CZ3-CD1 3.4Å |
| 205 | L | 97.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 174.8 | -72.6 | 171.2 | 0 | 0 | 0 | 112.2 | V201 Q202 A203 H207 D208 R211 W212 T215 I218 F241 | V201-L205 HydrophobicContact CG1-CD1 3.91Å; V201-L205 HydrophobicContact CG1-CG 4.34Å; V201-L205 WeakPolarHBondContact O-CG 3.48Å; V201-L205 PolarHBondContact O-N 3.16Å; Q202-L205 PolarHBondContact O-N 2.89Å; A203-L205 PolarHBondContact O-N 3.1Å; L205-H207 VanDerWaalsContact C-N 3.3Å; L205-D208 CarbonylContact O-C 3.52Å; L205-D208 VanDerWaalsContact O-O 3.1Å; L205-R211 HydrophobicContact CD2-CB 4.12Å; L205-R211 VanDerWaalsContact CD2-O 3.31Å; L205-R211 WeakPolarHBondContact CD2-O 3.37Å; L205-W212 PolarHBondContact O-NE1 2.82Å; L205-T215 HydrophobicContact CD1-CG2 4.39Å; L205-I218 HydrophobicContact CD2-CD1 4.1Å; L205-F241 HydrophobicContact CB-CE1 3.82Å; L205-F241 HydrophobicContact CB-CE2 4.24Å; L205-F241 HydrophobicContact CB-CZ 3.48Å; L205-F241 VanDerWaalsContact CB-CZ 3.48Å; L205-F241 HydrophobicContact CD1-CD1 4.17Å; L205-F241 HydrophobicContact CD1-CE1 3.93Å; L205-F241 HydrophobicContact CD1-CE2 4.34Å; L205-F241 HydrophobicContact CD1-CG 4.48Å; L205-F241 HydrophobicContact CD1-CZ 4.04Å; L205-F241 HydrophobicContact CG-CE1 4.44Å; L205-F241 HydrophobicContact CG-CZ 4.41Å |
| 206 | R | 96.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 58.8 Ų | 58.8 | 44% | 0.438 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.3 | -28 | 178.2 | -73.8 | 175.1 | -172.3 | 125.8 | 4.3 | 112.5 | Q202 A203 D208 E240 F241 | Q202-R206 WeakPolarHBondContact O-CB 3.48Å; Q202-R206 VanDerWaalsContact O-CG 3.24Å; Q202-R206 WeakPolarHBondContact O-CG 3.41Å; Q202-R206 PolarHBondContact O-N 3.2Å; A203-R206 PolarHBondContact O-N 3.39Å; R206-D208 VanDerWaalsContact C-N 3.31Å; R206-D208 PolarHBondContact O-N 3.17Å; R206-E240 IonicContact CZ-OE1 3.11Å; R206-E240 IonicContact CZ-OE2 2.69Å; R206-E240 IonicContact NE-OE1 2.94Å; R206-E240 PolarHBondContact NE-OE1 3.2Å; R206-E240 IonicContact NE-OE2 2.7Å; R206-E240 IonicContact NH2-OE1 3.44Å; R206-E240 PolarHBondContact NH2-OE1 3.48Å; R206-E240 VanDerWaalsContact NH2-OE1 3.16Å; R206-E240 IonicContact NH2-OE2 3.23Å; R206-E240 PolarHBondContact NH2-OE2 2.79Å; R206-F241 HydrophobicContact CG-CE2 4.22Å; R206-F241 HydrophobicContact CG-CZ 4.07Å |
| 207 | H | 97.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 35% | 0.352 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -35.7 | 180 | -166.6 | 72.7 | 0 | 0 | 0 | 113.5 | P169 L172 S173 A203 L205 | P169-H207 PolarHBondContact O-CE1 2.83Å; L172-H207 HydrophobicContact CB-CB 4.25Å; L172-H207 HydrophobicContact CD1-CB 4.16Å; S173-H207 PolarHBondContact OG-NE2 2.85Å; A203-H207 PolarHBondContact O-N 3.43Å; L205-H207 VanDerWaalsContact C-N 3.3Å |
| 208 | D | 96.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | trans | -140.9 | 117.8 | 173.4 | 174.1 | 6.5 | 0 | 0 | 0 | 111 | L205 R206 R210 R211 | L205-D208 CarbonylContact O-C 3.52Å; L205-D208 VanDerWaalsContact O-O 3.1Å; R206-D208 VanDerWaalsContact C-N 3.31Å; R206-D208 PolarHBondContact O-N 3.17Å; D208-R210 PolarHBondContact O-N 2.93Å; D208-R210 VanDerWaalsContact O-N 3.09Å; D208-R210 WeakPolarHBondContact OD1-CB 3.29Å; D208-R210 WeakPolarHBondContact OD1-CG 3.43Å; D208-R210 PolarHBondContact OD1-N 3.11Å; D208-R211 HydrophobicContact CB-CG 3.92Å; D208-R211 WeakPolarHBondContact O-CB 3.44Å; D208-R211 WeakPolarHBondContact O-CG 3.46Å; D208-R211 PolarHBondContact O-N 3.27Å | ||
| 209 | R | 94.4 | Very high | 96.7 | Very high | 190 Ų | 190 | 58.3 Ų | 58.3 | 72% | 0.717 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -56.5 | -27.9 | 180 | -67 | -173.8 | 71 | 100 | 2 | 113.6 | R211 W212 | R209-R211 PolarHBondContact O-N 3.08Å; R209-W212 WeakPolarHBondContact O-CB 3.46Å; R209-W212 PolarHBondContact O-N 2.74Å |
| 210 | R | 96 | Very high | 96.6 | Very high | 195 Ų | 195 | 59.7 Ų | 59.7 | 74% | 0.736 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -63.7 | -25.4 | 176.6 | -63.6 | 173.9 | 177.1 | 171.4 | 0.6 | 111.7 | D208 W212 R213 | D208-R210 PolarHBondContact O-N 2.93Å; D208-R210 VanDerWaalsContact O-N 3.09Å; D208-R210 WeakPolarHBondContact OD1-CB 3.29Å; D208-R210 WeakPolarHBondContact OD1-CG 3.43Å; D208-R210 PolarHBondContact OD1-N 3.11Å; R210-W212 VanDerWaalsContact C-N 3.26Å; R210-W212 PolarHBondContact O-N 3.31Å; R210-R213 WeakPolarHBondContact O-CD 3.4Å; R210-R213 VanDerWaalsContact O-CG 3.28Å; R210-R213 WeakPolarHBondContact O-CG 3.24Å |
| 211 | R | 96.4 | Very high | 96.5 | Very high | 30 Ų | 30 | 60 Ų | 60 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -72.1 | -17.7 | -179.7 | -60.6 | 173.4 | 180 | -177.7 | -4.7 | 113.4 | L172 W204 L205 D208 R209 R213 H214 | L172-R211 PolarHBondContact O-NH1 3.01Å; L172-R211 PolarHBondContact O-NH2 3.16Å; W204-R211 VanDerWaalsContact CD1-NH1 3.26Å; W204-R211 HydrophobicContact CE3-CB 4.25Å; W204-R211 HydrophobicContact CH2-CB 3.99Å; W204-R211 HydrophobicContact CH2-CG 3.84Å; W204-R211 HydrophobicContact CZ2-CG 4.21Å; W204-R211 HydrophobicContact CZ3-CB 3.69Å; W204-R211 HydrophobicContact CZ3-CG 4.01Å; W204-R211 VanDerWaalsContact NE1-NH1 3.17Å; W204-R211 VanDerWaalsContact O-CD 3.28Å; W204-R211 WeakPolarHBondContact O-CD 3.21Å; W204-R211 PolarHBondContact O-NH1 3.4Å; W204-R211 VanDerWaalsContact O-NH1 3.09Å; L205-R211 HydrophobicContact CD2-CB 4.12Å; L205-R211 VanDerWaalsContact CD2-O 3.31Å; L205-R211 WeakPolarHBondContact CD2-O 3.37Å; D208-R211 HydrophobicContact CB-CG 3.92Å; D208-R211 WeakPolarHBondContact O-CB 3.44Å; D208-R211 WeakPolarHBondContact O-CG 3.46Å; D208-R211 PolarHBondContact O-N 3.27Å; R209-R211 PolarHBondContact O-N 3.08Å; R211-R213 PolarHBondContact O-N 3.16Å; R211-R213 VanDerWaalsContact O-N 3.09Å; R211-H214 WeakPolarHBondContact O-CB 3.21Å; R211-H214 PolarHBondContact O-N 2.81Å |
| 212 | W | 95.5 | Very high | 96.5 | Very high | 67 Ų | 67 | 60 Ų | 60 | 25% | 0.254 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -59.1 | -25.3 | 179.6 | -70.9 | 35 | 0 | 0 | 0 | 112.8 | L205 R209 R210 H214 T215 E240 F241 Y244 | L205-W212 PolarHBondContact O-NE1 2.82Å; R209-W212 WeakPolarHBondContact O-CB 3.46Å; R209-W212 PolarHBondContact O-N 2.74Å; R210-W212 VanDerWaalsContact C-N 3.26Å; R210-W212 PolarHBondContact O-N 3.31Å; W212-H214 PolarHBondContact O-N 2.9Å; W212-T215 WeakPolarHBondContact O-CB 3.42Å; W212-T215 PolarHBondContact O-N 3.41Å; W212-T215 PolarHBondContact O-OG1 3.38Å; W212-E240 HydrophobicContact CH2-CG 3.87Å; W212-E240 HydrophobicContact CZ2-CG 4.39Å; W212-F241 HydrophobicContact CD2-CD1 4.42Å; W212-F241 AromaticContact CD2-CE1 3.67Å; W212-F241 HydrophobicContact CD2-CE1 3.67Å; W212-F241 AromaticContact CE2-CE1 3.55Å; W212-F241 AromaticContact CE2-CZ 3.95Å; W212-F241 HydrophobicContact CE3-CD1 4.49Å; W212-F241 HydrophobicContact CE3-CE1 4.12Å; W212-F241 HydrophobicContact CG-CE1 4Å; W212-F241 HydrophobicContact CH2-CE1 4.34Å; W212-F241 AromaticContact CZ2-CE1 3.91Å; W212-F241 HydrophobicContact CZ2-CE1 3.91Å; W212-F241 HydrophobicContact CZ2-CZ 4.07Å; W212-F241 HydrophobicContact CZ3-CE1 4.44Å; W212-F241 AromaticContact NE1-CE1 3.78Å; W212-Y244 HydrophobicContact CZ3-CD2 4.2Å; W212-Y244 HydrophobicContact CZ3-CE2 4.26Å |
| 213 | R | 95 | Very high | 96.5 | Very high | 196 Ų | 196 | 59.9 Ų | 59.9 | 74% | 0.74 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -62.2 | -20.2 | 173.2 | 74.6 | -168.7 | 176.4 | 171.7 | -2.2 | 113.6 | R210 R211 | R210-R213 WeakPolarHBondContact O-CD 3.4Å; R210-R213 VanDerWaalsContact O-CG 3.28Å; R210-R213 WeakPolarHBondContact O-CG 3.24Å; R211-R213 PolarHBondContact O-N 3.16Å; R211-R213 VanDerWaalsContact O-N 3.09Å |
| 214 | H | 96.4 | Very high | 96.4 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 18% | 0.181 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -93.9 | -3.9 | -179.1 | -58.6 | -64.2 | 0 | 0 | 0 | 112.9 | F177 R211 W212 D216 T217 I218 | F177-H214 HydrophobicContact CD2-CB 3.85Å; F177-H214 AromaticContact CD2-CG 3.84Å; F177-H214 HydrophobicContact CE2-CB 3.76Å; F177-H214 AromaticContact CE2-CG 4Å; R211-H214 WeakPolarHBondContact O-CB 3.21Å; R211-H214 PolarHBondContact O-N 2.81Å; W212-H214 PolarHBondContact O-N 2.9Å; H214-D216 VanDerWaalsContact C-N 3.33Å; H214-D216 PolarHBondContact O-N 3.49Å; H214-T217 PolarHBondContact O-N 2.94Å; H214-T217 VanDerWaalsContact O-N 3.09Å; H214-I218 HydrophobicContact CB-CD1 3.83Å; H214-I218 HydrophobicContact CB-CG1 4.29Å; H214-I218 WeakPolarHBondContact O-CG1 3.36Å; H214-I218 PolarHBondContact O-N 3.31Å |
| 215 | T | 96.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.043 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -51.9 | -49.7 | -175.6 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | L205 W212 T217 I218 I219 F241 | L205-T215 HydrophobicContact CD1-CG2 4.39Å; W212-T215 WeakPolarHBondContact O-CB 3.42Å; W212-T215 PolarHBondContact O-N 3.41Å; W212-T215 PolarHBondContact O-OG1 3.38Å; T215-T217 PolarHBondContact O-N 3.27Å; T215-I218 PolarHBondContact O-N 3.48Å; T215-I219 HydrophobicContact CG2-CG2 4.2Å; T215-I219 WeakPolarHBondContact O-CG1 3.35Å; T215-I219 WeakPolarHBondContact O-CG2 3.46Å; T215-I219 PolarHBondContact O-N 2.92Å; T215-F241 HydrophobicContact CG2-CB 4.27Å; T215-F241 HydrophobicContact CG2-CD1 4.3Å |
| 216 | D | 96.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.3 | -30 | -176.6 | -69.8 | -5.1 | 0 | 0 | 0 | 113.2 | H214 Q220 S245 Q247 | H214-D216 VanDerWaalsContact C-N 3.33Å; H214-D216 PolarHBondContact O-N 3.49Å; D216-Q220 WeakPolarHBondContact O-CG 3.47Å; D216-Q220 PolarHBondContact O-NE2 3.03Å; D216-S245 VanDerWaalsContact OD1-CB 3.25Å; D216-S245 WeakPolarHBondContact OD1-CB 3.11Å; D216-S245 PolarHBondContact OD1-OG 3.45Å; D216-Q247 HydrophobicContact CB-CB 3.94Å |
| 217 | T | 96.6 | Very high | 96 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -82.2 | -40.6 | 178.7 | -48.6 | 0 | 0 | 0 | 0 | 111.7 | F177 M181 H214 T215 N221 | F177-T217 HydrophobicContact CZ-CG2 3.96Å; M181-T217 HydrophobicContact CE-CG2 3.87Å; H214-T217 PolarHBondContact O-N 2.94Å; H214-T217 VanDerWaalsContact O-N 3.09Å; T215-T217 PolarHBondContact O-N 3.27Å; T217-N221 PolarHBondContact O-ND2 3.36Å |
| 218 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -44.7 | -177.5 | -63.5 | 167.9 | 0 | 0 | 0 | 110.7 | F177 L180 M181 L184 V201 W204 L205 H214 T215 Q220 N221 | F177-I218 HydrophobicContact CD2-CD1 4.08Å; F177-I218 HydrophobicContact CD2-CG1 4.08Å; F177-I218 HydrophobicContact CE2-CD1 4.14Å; F177-I218 HydrophobicContact CE2-CG1 3.68Å; L180-I218 HydrophobicContact CD2-CD1 3.95Å; L180-I218 HydrophobicContact CD2-CG2 4.31Å; M181-I218 HydrophobicContact SD-CB 4.36Å; M181-I218 HydrophobicContact SD-CG1 3.96Å; L184-I218 HydrophobicContact CD1-CG2 3.55Å; V201-I218 HydrophobicContact CB-CG2 4.4Å; V201-I218 HydrophobicContact CG1-CG2 3.52Å; V201-I218 HydrophobicContact CG2-CG2 3.91Å; W204-I218 HydrophobicContact CE3-CD1 4Å; W204-I218 HydrophobicContact CH2-CD1 4.2Å; W204-I218 HydrophobicContact CZ3-CD1 3.4Å; W204-I218 VanDerWaalsContact CZ3-CD1 3.4Å; L205-I218 HydrophobicContact CD2-CD1 4.1Å; H214-I218 HydrophobicContact CB-CD1 3.83Å; H214-I218 HydrophobicContact CB-CG1 4.29Å; H214-I218 WeakPolarHBondContact O-CG1 3.36Å; H214-I218 PolarHBondContact O-N 3.31Å; T215-I218 PolarHBondContact O-N 3.48Å; I218-Q220 PolarHBondContact O-N 3.43Å; I218-N221 PolarHBondContact O-N 3.12Å |
| 219 | I | 96 | Very high | 95.8 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -66 | -20.6 | -174.3 | 61.1 | 91.2 | 0 | 0 | 0 | 113.5 | Y198 T215 N221 I222 F224 Q247 L248 E251 | Y198-I219 HydrophobicContact CE2-CG2 4.43Å; T215-I219 HydrophobicContact CG2-CG2 4.2Å; T215-I219 WeakPolarHBondContact O-CG1 3.35Å; T215-I219 WeakPolarHBondContact O-CG2 3.46Å; T215-I219 PolarHBondContact O-N 2.92Å; I219-N221 PolarHBondContact O-N 3.32Å; I219-I222 WeakPolarHBondContact O-CB 3.27Å; I219-I222 PolarHBondContact O-N 3.46Å; I219-F224 HydrophobicContact CB-CE2 4.36Å; I219-F224 HydrophobicContact CB-CZ 4.36Å; I219-F224 WeakPolarHBondContact O-CE2 3.24Å; I219-Q247 HydrophobicContact CD1-CB 3.98Å; I219-Q247 HydrophobicContact CD1-CG 3.52Å; I219-L248 HydrophobicContact CB-CD1 4.32Å; I219-L248 HydrophobicContact CD1-CB 4.22Å; I219-L248 HydrophobicContact CG1-CB 4.35Å; I219-L248 HydrophobicContact CG2-CD1 4.28Å; I219-E251 HydrophobicContact CD1-CB 4.47Å; I219-E251 HydrophobicContact CD1-CG 3.58Å |
| 220 | Q | 95.2 | Very high | 95.8 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -66.2 | -15.3 | 172.7 | -69.1 | 173.8 | 38.4 | 0 | 0 | 113.3 | D216 I218 Q247 | D216-Q220 WeakPolarHBondContact O-CG 3.47Å; D216-Q220 PolarHBondContact O-NE2 3.03Å; I218-Q220 PolarHBondContact O-N 3.43Å; Q220-Q247 HydrophobicContact CG-CG 4.1Å |
| 221 | N | 96.8 | Very high | 95.8 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -96.6 | -0.5 | 174.3 | -61.9 | -71.5 | 0 | 0 | 0 | 112.8 | M181 L184 T217 I218 I219 K271 R276 | M181-N221 WeakPolarHBondContact CE-ND2 3.31Å; L184-N221 HydrophobicContact CB-CB 3.79Å; T217-N221 PolarHBondContact O-ND2 3.36Å; I218-N221 PolarHBondContact O-N 3.12Å; I219-N221 PolarHBondContact O-N 3.32Å; N221-K271 PolarHBondContact OD1-NZ 3.46Å; N221-R276 PolarHBondContact O-NH2 3.35Å |
| 222 | I | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -90.4 | 130.8 | 170.7 | -60.3 | -60.6 | 0 | 0 | 0 | 108.7 | L184 L197 V201 I219 F224 M227 | L184-I222 HydrophobicContact CD2-CD1 3.95Å; L197-I222 HydrophobicContact CB-CD1 4.09Å; V201-I222 HydrophobicContact CG2-CD1 4.22Å; I219-I222 WeakPolarHBondContact O-CB 3.27Å; I219-I222 PolarHBondContact O-N 3.46Å; I222-F224 HydrophobicContact CB-CD2 4.33Å; I222-F224 HydrophobicContact CB-CE2 3.79Å; I222-F224 HydrophobicContact CB-CZ 3.9Å; I222-F224 HydrophobicContact CG2-CD1 4.15Å; I222-F224 HydrophobicContact CG2-CD2 4.14Å; I222-F224 HydrophobicContact CG2-CE1 3.84Å; I222-F224 HydrophobicContact CG2-CE2 3.85Å; I222-F224 HydrophobicContact CG2-CG 4.28Å; I222-F224 HydrophobicContact CG2-CZ 3.68Å; I222-F224 WeakPolarHBondContact O-CD2 3.29Å; I222-F224 PolarHBondContact O-N 3.01Å; I222-M227 HydrophobicContact CG2-CE 3.43Å; I222-M227 VanDerWaalsContact CG2-CE 3.43Å |
| 223 | R | 96.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 41 Ų | 41 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | trans | -95.8 | 72.4 | -172.9 | -52.4 | -175.1 | -170.6 | 177.7 | 2.9 | 110.3 | D187 E194 C225 L226 S272 K274 I275 R276 | D187-R223 IonicContact OD1-CZ 3.48Å; D187-R223 IonicContact OD1-NH1 3.59Å; D187-R223 PolarHBondContact OD1-NH1 3.41Å; D187-R223 IonicContact OD1-NH2 3.07Å; D187-R223 PolarHBondContact OD1-NH2 3.38Å; E194-R223 HydrophobicContact CG-CB 3.92Å; E194-R223 WeakPolarHBondContact CG-O 3.48Å; E194-R223 WeakPolarHBondContact OE1-CB 3.42Å; E194-R223 WeakPolarHBondContact OE1-CG 3.26Å; E194-R223 PolarHBondContact OE2-N 2.85Å; R223-C225 PolarHBondContact O-N 3.1Å; R223-L226 HydrophobicContact CB-CD1 3.84Å; R223-L226 HydrophobicContact CB-CG 4.01Å; R223-L226 WeakPolarHBondContact O-CB 3.38Å; R223-L226 PolarHBondContact O-N 3.22Å; R223-S272 CarbonylContact C-O 3.48Å; R223-S272 WeakPolarHBondContact CA-O 3.44Å; R223-S272 VanDerWaalsContact CB-O 3.3Å; R223-S272 WeakPolarHBondContact CB-O 3.43Å; R223-K274 WeakPolarHBondContact CD-O 3.38Å; R223-K274 PolarHBondContact NH1-O 3.34Å; R223-I275 VanDerWaalsContact NH1-C 3.27Å; R223-I275 PolarHBondContact NH1-O 3.02Å; R223-R276 VanDerWaalsContact NH1-CG 3.27Å | ||
| 224 | F | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -55.4 | -27.7 | -173.8 | -66.3 | -81.8 | 0 | 0 | 0 | 113.9 | Y198 I219 I222 L226 M227 V236 L248 E251 A255 F259 S272 | Y198-F224 HydrophobicContact CD2-CE1 4.07Å; Y198-F224 HydrophobicContact CD2-CZ 4.1Å; Y198-F224 HydrophobicContact CE2-CE1 4.31Å; Y198-F224 HydrophobicContact CE2-CZ 4.27Å; I219-F224 HydrophobicContact CB-CE2 4.36Å; I219-F224 HydrophobicContact CB-CZ 4.36Å; I219-F224 WeakPolarHBondContact O-CE2 3.24Å; I222-F224 HydrophobicContact CB-CD2 4.33Å; I222-F224 HydrophobicContact CB-CE2 3.79Å; I222-F224 HydrophobicContact CB-CZ 3.9Å; I222-F224 HydrophobicContact CG2-CD1 4.15Å; I222-F224 HydrophobicContact CG2-CD2 4.14Å; I222-F224 HydrophobicContact CG2-CE1 3.84Å; I222-F224 HydrophobicContact CG2-CE2 3.85Å; I222-F224 HydrophobicContact CG2-CG 4.28Å; I222-F224 HydrophobicContact CG2-CZ 3.68Å; I222-F224 WeakPolarHBondContact O-CD2 3.29Å; I222-F224 PolarHBondContact O-N 3.01Å; F224-L226 PolarHBondContact O-N 3.21Å; F224-M227 HydrophobicContact CD1-CE 3.55Å; F224-M227 HydrophobicContact CD1-SD 3.74Å; F224-M227 HydrophobicContact CE1-CE 3.8Å; F224-M227 HydrophobicContact CE1-SD 4.37Å; F224-M227 HydrophobicContact CG-CE 4.35Å; F224-M227 WeakPolarHBondContact O-CB 3.44Å; F224-M227 PolarHBondContact O-N 3.3Å; F224-M227 VanDerWaalsContact O-N 3.12Å; F224-V236 HydrophobicContact CD1-CG2 4.5Å; F224-V236 HydrophobicContact CE1-CG1 3.96Å; F224-V236 HydrophobicContact CE1-CG2 4.24Å; F224-L248 HydrophobicContact CE1-CD1 3.83Å; F224-L248 HydrophobicContact CE2-CD1 4.03Å; F224-L248 HydrophobicContact CZ-CD1 3.31Å; F224-E251 HydrophobicContact CD2-CB 3.67Å; F224-E251 HydrophobicContact CD2-CG 4.37Å; F224-E251 HydrophobicContact CE2-CB 3.82Å; F224-E251 HydrophobicContact CE2-CG 4.26Å; F224-A255 HydrophobicContact CB-CB 3.72Å; F224-F259 WeakPolarHBondContact O-CZ 3.43Å; F224-S272 PolarHBondContact N-OG 2.85Å |
| 225 | C | 95.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -72.4 | -6.6 | 177 | -55 | 0 | 0 | 0 | 0 | 114 | R223 Y258 S272 N273 | R223-C225 PolarHBondContact O-N 3.1Å; C225-Y258 HydrophobicContact CB-CD1 3.6Å; C225-Y258 HydrophobicContact CB-CE1 3.88Å; C225-Y258 HydrophobicContact CB-CG 4Å; C225-S272 VanDerWaalsContact CB-O 3.24Å; C225-S272 WeakPolarHBondContact CB-O 3.3Å; C225-S272 PolarHBondContact N-O 2.93Å; C225-S272 PolarHBondContact N-OG 3.3Å; C225-S272 PolarHBondContact SG-OG 2.85Å; C225-S272 VanDerWaalsContact SG-OG 3.34Å; C225-N273 HydrophobicContact CB-CB 3.63Å |
| 226 | L | 94.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -96.4 | -3.7 | 171.1 | -53 | -178.3 | 0 | 0 | 0 | 113 | E194 R223 F224 N273 K274 I275 R355 | E194-L226 HydrophobicContact CG-CB 3.9Å; E194-L226 HydrophobicContact CG-CD1 4.12Å; R223-L226 HydrophobicContact CB-CD1 3.84Å; R223-L226 HydrophobicContact CB-CG 4.01Å; R223-L226 WeakPolarHBondContact O-CB 3.38Å; R223-L226 PolarHBondContact O-N 3.22Å; F224-L226 PolarHBondContact O-N 3.21Å; L226-N273 WeakPolarHBondContact CD2-O 3.33Å; L226-K274 WeakPolarHBondContact CD1-O 3.5Å; L226-I275 HydrophobicContact CD2-CG1 4.34Å; L226-R355 VanDerWaalsContact CD2-CD 3.5Å; L226-R355 HydrophobicContact CD2-CG 4.21Å |
| 227 | M | 94.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -80.1 | 170.6 | 172.2 | -62.6 | -176.5 | -172.3 | 0 | 0 | 111.3 | E194 I195 Y198 I222 F224 V232 V236 F259 | E194-M227 HydrophobicContact CB-CE 3.92Å; E194-M227 HydrophobicContact CB-CG 3.81Å; E194-M227 WeakPolarHBondContact O-CE 3.42Å; I195-M227 HydrophobicContact CB-CG 4.45Å; I195-M227 HydrophobicContact CB-SD 4.45Å; I195-M227 HydrophobicContact CD1-SD 4.2Å; Y198-M227 HydrophobicContact CG-CE 4.42Å; I222-M227 HydrophobicContact CG2-CE 3.43Å; I222-M227 VanDerWaalsContact CG2-CE 3.43Å; F224-M227 HydrophobicContact CD1-CE 3.55Å; F224-M227 HydrophobicContact CD1-SD 3.74Å; F224-M227 HydrophobicContact CE1-CE 3.8Å; F224-M227 HydrophobicContact CE1-SD 4.37Å; F224-M227 HydrophobicContact CG-CE 4.35Å; F224-M227 WeakPolarHBondContact O-CB 3.44Å; F224-M227 PolarHBondContact O-N 3.3Å; F224-M227 VanDerWaalsContact O-N 3.12Å; M227-V232 HydrophobicContact CB-CG2 3.84Å; M227-V232 HydrophobicContact SD-CG2 3.93Å; M227-V236 HydrophobicContact SD-CG2 4.07Å; M227-F259 WeakPolarHBondContact O-CE1 3.34Å; M227-F259 VanDerWaalsContact O-CZ 3.31Å; M227-F259 WeakPolarHBondContact O-CZ 3.34Å |
| 228 | T | 93.2 | Very high | 95.5 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | trans | -88.8 | 149.3 | 168.5 | 67.6 | 0 | 0 | 0 | 0 | 110.8 | S230 S231 V232 | T228-S230 PolarHBondContact O-N 2.74Å; T228-S231 PolarHBondContact N-OG 3.47Å; T228-S231 VanDerWaalsContact N-OG 3.16Å; T228-S231 PolarHBondContact O-N 3.16Å; T228-S231 VanDerWaalsContact O-N 3.09Å; T228-S231 PolarHBondContact O-OG 2.92Å; T228-S231 WeakPolarHBondContact OG1-CB 3.48Å; T228-S231 PolarHBondContact OG1-N 3.32Å; T228-S231 PolarHBondContact OG1-OG 3.23Å; T228-S231 VanDerWaalsContact OG1-OG 3.1Å; T228-V232 PolarHBondContact O-N 3.34Å; T228-V232 VanDerWaalsContact O-N 3.11Å | ||
| 229 | P | 95.1 | Very high | 95.4 | Very high | 61 Ų | 61 | 40.3 Ų | 40.3 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -53.2 | -40 | 175.7 | -26.6 | 33.5 | 0 | 0 | 0 | 113.2 | V232 F233 F259 | P229-V232 PolarHBondContact O-N 3.22Å; P229-F233 PolarHBondContact O-N 3.04Å; P229-F259 HydrophobicContact CB-CD2 4.15Å; P229-F259 HydrophobicContact CG-CB 4.08Å; P229-F259 HydrophobicContact CG-CD1 4.41Å; P229-F259 HydrophobicContact CG-CD2 3.78Å; P229-F259 HydrophobicContact CG-CE2 4.31Å; P229-F259 HydrophobicContact CG-CG 3.85Å |
| 230 | S | 95.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 42.8 Ų | 42.8 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.6 | -46 | 177.5 | -47.1 | 0 | 0 | 0 | 0 | 111.9 | T228 V232 F233 E234 | T228-S230 PolarHBondContact O-N 2.74Å; S230-V232 VanDerWaalsContact C-N 3.34Å; S230-V232 PolarHBondContact O-N 3.17Å; S230-F233 PolarHBondContact O-N 3.21Å; S230-F233 VanDerWaalsContact O-N 3.16Å; S230-E234 WeakPolarHBondContact O-CB 3.37Å; S230-E234 WeakPolarHBondContact O-CG 3.41Å; S230-E234 PolarHBondContact O-N 3.38Å |
| 231 | S | 94.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 178.8 | 67 | 0 | 0 | 0 | 0 | 112.7 | T228 F233 K235 | T228-S231 PolarHBondContact N-OG 3.47Å; T228-S231 VanDerWaalsContact N-OG 3.16Å; T228-S231 PolarHBondContact O-N 3.16Å; T228-S231 VanDerWaalsContact O-N 3.09Å; T228-S231 PolarHBondContact O-OG 2.92Å; T228-S231 WeakPolarHBondContact OG1-CB 3.48Å; T228-S231 PolarHBondContact OG1-N 3.32Å; T228-S231 PolarHBondContact OG1-OG 3.23Å; T228-S231 VanDerWaalsContact OG1-OG 3.1Å; S231-F233 VanDerWaalsContact C-N 3.34Å; S231-F233 PolarHBondContact O-N 2.93Å; S231-K235 WeakPolarHBondContact O-CB 3.36Å; S231-K235 PolarHBondContact O-N 2.98Å |
| 232 | V | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -63 | -42.9 | 174.8 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | M227 T228 P229 S230 V236 K237 V252 M256 F259 | M227-V232 HydrophobicContact CB-CG2 3.84Å; M227-V232 HydrophobicContact SD-CG2 3.93Å; T228-V232 PolarHBondContact O-N 3.34Å; T228-V232 VanDerWaalsContact O-N 3.11Å; P229-V232 PolarHBondContact O-N 3.22Å; S230-V232 VanDerWaalsContact C-N 3.34Å; S230-V232 PolarHBondContact O-N 3.17Å; V232-V236 HydrophobicContact CG1-CB 4.34Å; V232-V236 WeakPolarHBondContact O-CA 3.41Å; V232-V236 VanDerWaalsContact O-CB 3.3Å; V232-V236 WeakPolarHBondContact O-CB 3.06Å; V232-V236 PolarHBondContact O-N 3.12Å; V232-K237 PolarHBondContact O-N 2.58Å; V232-V252 HydrophobicContact CG1-CG1 3.69Å; V232-V252 HydrophobicContact CG1-CG2 4.21Å; V232-M256 HydrophobicContact CG1-SD 4.35Å; V232-F259 HydrophobicContact CG2-CE2 4.11Å; V232-F259 HydrophobicContact CG2-CZ 4.44Å |
| 233 | F | 94.9 | Very high | 95 | Very high | 136 Ų | 136 | 48.6 Ų | 48.6 | 60% | 0.596 | 24% | 0.24 | S | C | * | . | I | π-helix | trans | -67.8 | -48 | 179.2 | -171.4 | -93.9 | 0 | 0 | 0 | 112.7 | P229 S230 S231 K237 | P229-F233 PolarHBondContact O-N 3.04Å; S230-F233 PolarHBondContact O-N 3.21Å; S230-F233 VanDerWaalsContact O-N 3.16Å; S231-F233 VanDerWaalsContact C-N 3.34Å; S231-F233 PolarHBondContact O-N 2.93Å; F233-K237 HydrophobicContact CD2-CD 4.19Å |
| 234 | E | 95.2 | Very high | 94.7 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 59% | 0.593 | 27% | 0.271 | S | S | * | . | I | π-helix | trans | -78.7 | -34.5 | -171.5 | -69.1 | 172.7 | -174 | 0 | 0 | 113.4 | S230 T238 | S230-E234 WeakPolarHBondContact O-CB 3.37Å; S230-E234 WeakPolarHBondContact O-CG 3.41Å; S230-E234 PolarHBondContact O-N 3.38Å; E234-T238 WeakPolarHBondContact O-CB 3.49Å; E234-T238 VanDerWaalsContact O-CG2 3.22Å; E234-T238 WeakPolarHBondContact O-CG2 3.47Å; E234-T238 PolarHBondContact O-OG1 3.41Å |
| 235 | K | 95.3 | Very high | 94.6 | Very high | 79 Ų | 79 | 57 Ų | 57 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -112.6 | -37.2 | -172.3 | -64.9 | 177.9 | 163.4 | -154.2 | 0 | 113.9 | I195 E199 S231 T238 | I195-K235 HydrophobicContact CD1-CB 3.77Å; I195-K235 HydrophobicContact CD1-CD 3.62Å; I195-K235 HydrophobicContact CD1-CG 4.34Å; I195-K235 HydrophobicContact CG1-CD 3.51Å; E199-K235 WeakPolarHBondContact OE1-CD 3.47Å; E199-K235 WeakPolarHBondContact OE1-CE 3.36Å; E199-K235 IonicContact OE1-NZ 2.76Å; E199-K235 PolarHBondContact OE1-NZ 3.4Å; E199-K235 IonicContact OE2-NZ 2.73Å; E199-K235 PolarHBondContact OE2-NZ 3.46Å; S231-K235 WeakPolarHBondContact O-CB 3.36Å; S231-K235 PolarHBondContact O-N 2.98Å; K235-T238 PolarHBondContact O-OG1 3.22Å |
| 236 | V | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -83.3 | -54.7 | -177.2 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | I195 Y198 F224 M227 V232 T238 S239 Y242 L248 V252 | I195-V236 HydrophobicContact CD1-CG2 4.24Å; Y198-V236 HydrophobicContact CD1-CG2 3.86Å; Y198-V236 HydrophobicContact CE1-CB 4.11Å; Y198-V236 HydrophobicContact CE1-CG1 4.08Å; Y198-V236 HydrophobicContact CE1-CG2 3.78Å; Y198-V236 HydrophobicContact CE2-CG1 4.48Å; F224-V236 HydrophobicContact CD1-CG2 4.5Å; F224-V236 HydrophobicContact CE1-CG1 3.96Å; F224-V236 HydrophobicContact CE1-CG2 4.24Å; M227-V236 HydrophobicContact SD-CG2 4.07Å; V232-V236 HydrophobicContact CG1-CB 4.34Å; V232-V236 WeakPolarHBondContact O-CA 3.41Å; V232-V236 VanDerWaalsContact O-CB 3.3Å; V232-V236 WeakPolarHBondContact O-CB 3.06Å; V232-V236 PolarHBondContact O-N 3.12Å; V236-T238 VanDerWaalsContact C-N 3.26Å; V236-T238 PolarHBondContact O-N 2.83Å; V236-S239 WeakPolarHBondContact O-CB 3.48Å; V236-S239 PolarHBondContact O-N 3.36Å; V236-Y242 WeakPolarHBondContact O-CB 3.37Å; V236-L248 HydrophobicContact CG1-CD1 4.03Å; V236-L248 HydrophobicContact CG1-CG 4.48Å; V236-V252 HydrophobicContact CG1-CG2 3.6Å |
| 237 | K | 95 | Very high | 94.7 | Very high | 63 Ų | 63 | 68.3 Ų | 68.3 | 27% | 0.274 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.5 | -176.8 | -70.3 | -169.7 | 173.3 | -174 | 0 | 113.9 | V232 F233 S239 Y242 V252 | V232-K237 PolarHBondContact O-N 2.58Å; F233-K237 HydrophobicContact CD2-CD 4.19Å; K237-S239 VanDerWaalsContact C-N 3.33Å; K237-Y242 HydrophobicContact CB-CD1 4.41Å; K237-Y242 HydrophobicContact CB-CE1 4.33Å; K237-Y242 HydrophobicContact CG-CD2 4.44Å; K237-Y242 HydrophobicContact CG-CE1 4.19Å; K237-Y242 HydrophobicContact CG-CE2 4Å; K237-Y242 WeakPolarHBondContact O-CD1 3.45Å; K237-V252 HydrophobicContact CD-CG1 4.48Å; K237-V252 VanDerWaalsContact CE-CG1 3.43Å; K237-V252 HydrophobicContact CG-CG1 4.2Å |
| 238 | T | 94.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 68 Ų | 68 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -15.5 | 178.8 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | E234 K235 V236 | E234-T238 WeakPolarHBondContact O-CB 3.49Å; E234-T238 VanDerWaalsContact O-CG2 3.22Å; E234-T238 WeakPolarHBondContact O-CG2 3.47Å; E234-T238 PolarHBondContact O-OG1 3.41Å; K235-T238 PolarHBondContact O-OG1 3.22Å; V236-T238 VanDerWaalsContact C-N 3.26Å; V236-T238 PolarHBondContact O-N 2.83Å |
| 239 | S | 94.4 | Very high | 95 | Very high | 5 Ų | 5 | 68.9 Ų | 68.9 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -68.5 | 147.2 | -178.3 | 177.7 | 0 | 0 | 0 | 0 | 113.4 | Q202 V236 K237 F241 Y242 | Q202-S239 PolarHBondContact NE2-OG 3.5Å; V236-S239 WeakPolarHBondContact O-CB 3.48Å; V236-S239 PolarHBondContact O-N 3.36Å; K237-S239 VanDerWaalsContact C-N 3.33Å; S239-F241 PolarHBondContact O-N 3.35Å; S239-F241 VanDerWaalsContact OG-CD2 3.29Å; S239-F241 WeakPolarHBondContact OG-CD2 3.34Å; S239-F241 PolarHBondContact OG-N 2.74Å; S239-F241 VanDerWaalsContact OG-N 3.1Å; S239-Y242 WeakPolarHBondContact O-CB 3.37Å; S239-Y242 PolarHBondContact O-N 2.66Å |
| 240 | E | 93.9 | Very high | 95.1 | Very high | 53 Ų | 53 | 70.9 Ų | 70.9 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.5 | -37 | 166.8 | 66.6 | -83 | -134.8 | 0 | 0 | 112.8 | R206 W212 Y242 R243 Y244 | R206-E240 IonicContact CZ-OE1 3.11Å; R206-E240 IonicContact CZ-OE2 2.69Å; R206-E240 IonicContact NE-OE1 2.94Å; R206-E240 PolarHBondContact NE-OE1 3.2Å; R206-E240 IonicContact NE-OE2 2.7Å; R206-E240 IonicContact NH2-OE1 3.44Å; R206-E240 PolarHBondContact NH2-OE1 3.48Å; R206-E240 VanDerWaalsContact NH2-OE1 3.16Å; R206-E240 IonicContact NH2-OE2 3.23Å; R206-E240 PolarHBondContact NH2-OE2 2.79Å; W212-E240 HydrophobicContact CH2-CG 3.87Å; W212-E240 HydrophobicContact CZ2-CG 4.39Å; E240-Y242 VanDerWaalsContact C-N 3.3Å; E240-Y242 PolarHBondContact O-N 3.35Å; E240-R243 PolarHBondContact O-N 2.73Å; E240-Y244 WeakPolarHBondContact O-CD2 3.16Å; E240-Y244 PolarHBondContact O-N 2.92Å |
| 241 | F | 95.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -32.8 | -178.5 | -60.5 | -68.7 | 0 | 0 | 0 | 111.9 | Q202 L205 R206 W212 T215 S239 R243 Y244 S245 L248 | Q202-F241 HydrophobicContact CB-CD2 4.42Å; Q202-F241 HydrophobicContact CB-CE2 3.99Å; Q202-F241 HydrophobicContact CG-CD2 3.9Å; Q202-F241 HydrophobicContact CG-CE2 3.98Å; L205-F241 HydrophobicContact CB-CE1 3.82Å; L205-F241 HydrophobicContact CB-CE2 4.24Å; L205-F241 HydrophobicContact CB-CZ 3.48Å; L205-F241 VanDerWaalsContact CB-CZ 3.48Å; L205-F241 HydrophobicContact CD1-CD1 4.17Å; L205-F241 HydrophobicContact CD1-CE1 3.93Å; L205-F241 HydrophobicContact CD1-CE2 4.34Å; L205-F241 HydrophobicContact CD1-CG 4.48Å; L205-F241 HydrophobicContact CD1-CZ 4.04Å; L205-F241 HydrophobicContact CG-CE1 4.44Å; L205-F241 HydrophobicContact CG-CZ 4.41Å; R206-F241 HydrophobicContact CG-CE2 4.22Å; R206-F241 HydrophobicContact CG-CZ 4.07Å; W212-F241 HydrophobicContact CD2-CD1 4.42Å; W212-F241 AromaticContact CD2-CE1 3.67Å; W212-F241 HydrophobicContact CD2-CE1 3.67Å; W212-F241 AromaticContact CE2-CE1 3.55Å; W212-F241 AromaticContact CE2-CZ 3.95Å; W212-F241 HydrophobicContact CE3-CD1 4.49Å; W212-F241 HydrophobicContact CE3-CE1 4.12Å; W212-F241 HydrophobicContact CG-CE1 4Å; W212-F241 HydrophobicContact CH2-CE1 4.34Å; W212-F241 AromaticContact CZ2-CE1 3.91Å; W212-F241 HydrophobicContact CZ2-CE1 3.91Å; W212-F241 HydrophobicContact CZ2-CZ 4.07Å; W212-F241 HydrophobicContact CZ3-CE1 4.44Å; W212-F241 AromaticContact NE1-CE1 3.78Å; T215-F241 HydrophobicContact CG2-CB 4.27Å; T215-F241 HydrophobicContact CG2-CD1 4.3Å; S239-F241 PolarHBondContact O-N 3.35Å; S239-F241 VanDerWaalsContact OG-CD2 3.29Å; S239-F241 WeakPolarHBondContact OG-CD2 3.34Å; S239-F241 PolarHBondContact OG-N 2.74Å; S239-F241 VanDerWaalsContact OG-N 3.1Å; F241-R243 VanDerWaalsContact C-N 3.3Å; F241-R243 PolarHBondContact O-N 2.85Å; F241-Y244 PolarHBondContact O-N 3.48Å; F241-S245 VanDerWaalsContact O-CB 3.26Å; F241-S245 WeakPolarHBondContact O-CB 3.03Å; F241-S245 PolarHBondContact O-N 2.95Å; F241-L248 HydrophobicContact CB-CD2 4.12Å |
| 242 | Y | 95.6 | Very high | 95.3 | Very high | 39 Ų | 39 | 67.8 Ų | 67.8 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -33.8 | 176.9 | -175 | -97.4 | 0 | 0 | 0 | 112.4 | V236 K237 S239 E240 L248 R249 V252 | V236-Y242 WeakPolarHBondContact O-CB 3.37Å; K237-Y242 HydrophobicContact CB-CD1 4.41Å; K237-Y242 HydrophobicContact CB-CE1 4.33Å; K237-Y242 HydrophobicContact CG-CD2 4.44Å; K237-Y242 HydrophobicContact CG-CE1 4.19Å; K237-Y242 HydrophobicContact CG-CE2 4Å; K237-Y242 WeakPolarHBondContact O-CD1 3.45Å; S239-Y242 WeakPolarHBondContact O-CB 3.37Å; S239-Y242 PolarHBondContact O-N 2.66Å; E240-Y242 VanDerWaalsContact C-N 3.3Å; E240-Y242 PolarHBondContact O-N 3.35Å; Y242-L248 HydrophobicContact CD2-CD2 4.44Å; Y242-L248 HydrophobicContact CD2-CG 4.15Å; Y242-R249 HydrophobicContact CD1-CG 4.36Å; Y242-R249 HydrophobicContact CD2-CG 4.01Å; Y242-R249 HydrophobicContact CE1-CG 4.05Å; Y242-R249 HydrophobicContact CE2-CB 4.22Å; Y242-R249 HydrophobicContact CE2-CG 3.66Å; Y242-R249 HydrophobicContact CG-CG 4.33Å; Y242-R249 WeakPolarHBondContact O-CG 3.32Å; Y242-R249 PolarHBondContact O-NH1 2.95Å; Y242-V252 HydrophobicContact CD2-CG2 4.23Å; Y242-V252 HydrophobicContact CE2-CB 3.88Å; Y242-V252 HydrophobicContact CE2-CG1 3.89Å; Y242-V252 HydrophobicContact CE2-CG2 3.92Å |
| 243 | R | 90.9 | Very high | 95.3 | Very high | 185 Ų | 185 | 71.6 Ų | 71.6 | 70% | 0.698 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.7 | -38 | 177.5 | -61.8 | -177.7 | -175.4 | 161.2 | 3.1 | 111.8 | E240 F241 R249 | E240-R243 PolarHBondContact O-N 2.73Å; F241-R243 VanDerWaalsContact C-N 3.3Å; F241-R243 PolarHBondContact O-N 2.85Å; R243-R249 VanDerWaalsContact C-NH1 3.33Å; R243-R249 PolarHBondContact O-NH1 3.28Å |
| 244 | Y | 90.4 | Very high | 95.3 | Very high | 175 Ų | 175 | 67.9 Ų | 67.9 | 69% | 0.686 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -92 | -42.1 | -175.4 | -63.4 | -69.3 | 0 | 0 | 0 | 113.7 | W212 E240 F241 R246 | W212-Y244 HydrophobicContact CZ3-CD2 4.2Å; W212-Y244 HydrophobicContact CZ3-CE2 4.26Å; E240-Y244 WeakPolarHBondContact O-CD2 3.16Å; E240-Y244 PolarHBondContact O-N 2.92Å; F241-Y244 PolarHBondContact O-N 3.48Å; Y244-R246 PolarHBondContact O-N 2.71Å |
| 245 | S | 95.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | trans | -79.4 | 117.9 | -174.4 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | D216 F241 Q247 L248 R249 | D216-S245 VanDerWaalsContact OD1-CB 3.25Å; D216-S245 WeakPolarHBondContact OD1-CB 3.11Å; D216-S245 PolarHBondContact OD1-OG 3.45Å; F241-S245 VanDerWaalsContact O-CB 3.26Å; F241-S245 WeakPolarHBondContact O-CB 3.03Å; F241-S245 PolarHBondContact O-N 2.95Å; S245-Q247 PolarHBondContact OG-N 3.23Å; S245-L248 VanDerWaalsContact OG-CB 3.29Å; S245-L248 WeakPolarHBondContact OG-CB 3.12Å; S245-L248 PolarHBondContact OG-N 2.87Å; S245-R249 PolarHBondContact O-N 3.06Å; S245-R249 PolarHBondContact O-NH1 3.21Å; S245-R249 VanDerWaalsContact O-NH1 3.16Å | ||
| 246 | R | 95 | Very high | 95.5 | Very high | 204 Ų | 204 | 60 Ų | 60 | 77% | 0.77 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -70.7 | -36.8 | 172 | -174.9 | 179.6 | 177.9 | -174.8 | -1.1 | 111.3 | Y244 R249 H250 | Y244-R246 PolarHBondContact O-N 2.71Å; R246-R249 PolarHBondContact O-N 2.65Å; R246-H250 PolarHBondContact O-N 3.39Å; R246-H250 VanDerWaalsContact O-N 3.12Å |
| 247 | Q | 96.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 65.1 Ų | 65.1 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 179 | -171.1 | 64 | 26.8 | 0 | 0 | 110.9 | D216 I219 Q220 S245 R249 H250 E251 | D216-Q247 HydrophobicContact CB-CB 3.94Å; I219-Q247 HydrophobicContact CD1-CB 3.98Å; I219-Q247 HydrophobicContact CD1-CG 3.52Å; Q220-Q247 HydrophobicContact CG-CG 4.1Å; S245-Q247 PolarHBondContact OG-N 3.23Å; Q247-R249 VanDerWaalsContact C-N 3.29Å; Q247-R249 PolarHBondContact O-N 2.77Å; Q247-H250 WeakPolarHBondContact O-CA 3.38Å; Q247-H250 WeakPolarHBondContact O-CB 3.13Å; Q247-H250 PolarHBondContact O-N 3.47Å; Q247-E251 HydrophobicContact CG-CG 4.49Å; Q247-E251 PolarHBondContact NE2-OE1 3.34Å; Q247-E251 WeakPolarHBondContact O-CG 3.4Å; Q247-E251 PolarHBondContact O-N 3.41Å |
| 248 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 178.5 | 179.9 | 57.3 | 0 | 0 | 0 | 112.2 | Y198 I219 F224 V236 F241 Y242 S245 H250 E251 V252 | Y198-L248 HydrophobicContact CE2-CD1 4.21Å; Y198-L248 HydrophobicContact CE2-CD2 4.33Å; Y198-L248 WeakPolarHBondContact OH-CD2 3.4Å; I219-L248 HydrophobicContact CB-CD1 4.32Å; I219-L248 HydrophobicContact CD1-CB 4.22Å; I219-L248 HydrophobicContact CG1-CB 4.35Å; I219-L248 HydrophobicContact CG2-CD1 4.28Å; F224-L248 HydrophobicContact CE1-CD1 3.83Å; F224-L248 HydrophobicContact CE2-CD1 4.03Å; F224-L248 HydrophobicContact CZ-CD1 3.31Å; V236-L248 HydrophobicContact CG1-CD1 4.03Å; V236-L248 HydrophobicContact CG1-CG 4.48Å; F241-L248 HydrophobicContact CB-CD2 4.12Å; Y242-L248 HydrophobicContact CD2-CD2 4.44Å; Y242-L248 HydrophobicContact CD2-CG 4.15Å; S245-L248 VanDerWaalsContact OG-CB 3.29Å; S245-L248 WeakPolarHBondContact OG-CB 3.12Å; S245-L248 PolarHBondContact OG-N 2.87Å; L248-H250 VanDerWaalsContact C-N 3.34Å; L248-E251 PolarHBondContact O-N 2.73Å; L248-V252 HydrophobicContact CD1-CG2 4.25Å; L248-V252 WeakPolarHBondContact O-CB 3.23Å; L248-V252 VanDerWaalsContact O-CG2 3.27Å; L248-V252 WeakPolarHBondContact O-CG2 3.42Å; L248-V252 PolarHBondContact O-N 3.22Å |
| 249 | R | 97.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 31% | 0.306 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 173.2 | -69.1 | -170 | -68.2 | -86.9 | 5.1 | 111.9 | Y242 R243 S245 R246 Q247 V252 D253 | Y242-R249 HydrophobicContact CD1-CG 4.36Å; Y242-R249 HydrophobicContact CD2-CG 4.01Å; Y242-R249 HydrophobicContact CE1-CG 4.05Å; Y242-R249 HydrophobicContact CE2-CB 4.22Å; Y242-R249 HydrophobicContact CE2-CG 3.66Å; Y242-R249 HydrophobicContact CG-CG 4.33Å; Y242-R249 WeakPolarHBondContact O-CG 3.32Å; Y242-R249 PolarHBondContact O-NH1 2.95Å; R243-R249 VanDerWaalsContact C-NH1 3.33Å; R243-R249 PolarHBondContact O-NH1 3.28Å; S245-R249 PolarHBondContact O-N 3.06Å; S245-R249 PolarHBondContact O-NH1 3.21Å; S245-R249 VanDerWaalsContact O-NH1 3.16Å; R246-R249 PolarHBondContact O-N 2.65Å; Q247-R249 VanDerWaalsContact C-N 3.29Å; Q247-R249 PolarHBondContact O-N 2.77Å; R249-V252 PolarHBondContact O-N 3.4Å; R249-D253 WeakPolarHBondContact O-CB 3.28Å; R249-D253 PolarHBondContact O-N 3.15Å |
| 250 | H | 96.6 | Very high | 95.6 | Very high | 104 Ų | 104 | 66 Ų | 66 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 177.1 | -178.8 | 65.7 | 0 | 0 | 0 | 112.5 | R246 Q247 L248 V252 D253 Q254 | R246-H250 PolarHBondContact O-N 3.39Å; R246-H250 VanDerWaalsContact O-N 3.12Å; Q247-H250 WeakPolarHBondContact O-CA 3.38Å; Q247-H250 WeakPolarHBondContact O-CB 3.13Å; Q247-H250 PolarHBondContact O-N 3.47Å; L248-H250 VanDerWaalsContact C-N 3.34Å; H250-V252 VanDerWaalsContact C-N 3.32Å; H250-V252 PolarHBondContact O-N 3.26Å; H250-D253 PolarHBondContact O-N 3.4Å; H250-Q254 PolarHBondContact O-N 2.99Å |
| 251 | E | 97.1 | Very high | 95.6 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 176.6 | -64.4 | -58.5 | 151.1 | 0 | 0 | 112 | I219 F224 Q247 L248 Q254 A255 | I219-E251 HydrophobicContact CD1-CB 4.47Å; I219-E251 HydrophobicContact CD1-CG 3.58Å; F224-E251 HydrophobicContact CD2-CB 3.67Å; F224-E251 HydrophobicContact CD2-CG 4.37Å; F224-E251 HydrophobicContact CE2-CB 3.82Å; F224-E251 HydrophobicContact CE2-CG 4.26Å; Q247-E251 HydrophobicContact CG-CG 4.49Å; Q247-E251 PolarHBondContact NE2-OE1 3.34Å; Q247-E251 WeakPolarHBondContact O-CG 3.4Å; Q247-E251 PolarHBondContact O-N 3.41Å; L248-E251 PolarHBondContact O-N 2.73Å; E251-Q254 PolarHBondContact O-N 3.34Å; E251-A255 WeakPolarHBondContact O-CB 3.37Å; E251-A255 PolarHBondContact O-N 3.47Å |
| 252 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.4 | 166.2 | 0 | 0 | 0 | 0 | 111.3 | V232 V236 K237 Y242 L248 R249 H250 Q254 A255 M256 | V232-V252 HydrophobicContact CG1-CG1 3.69Å; V232-V252 HydrophobicContact CG1-CG2 4.21Å; V236-V252 HydrophobicContact CG1-CG2 3.6Å; K237-V252 HydrophobicContact CD-CG1 4.48Å; K237-V252 VanDerWaalsContact CE-CG1 3.43Å; K237-V252 HydrophobicContact CG-CG1 4.2Å; Y242-V252 HydrophobicContact CD2-CG2 4.23Å; Y242-V252 HydrophobicContact CE2-CB 3.88Å; Y242-V252 HydrophobicContact CE2-CG1 3.89Å; Y242-V252 HydrophobicContact CE2-CG2 3.92Å; L248-V252 HydrophobicContact CD1-CG2 4.25Å; L248-V252 WeakPolarHBondContact O-CB 3.23Å; L248-V252 VanDerWaalsContact O-CG2 3.27Å; L248-V252 WeakPolarHBondContact O-CG2 3.42Å; L248-V252 PolarHBondContact O-N 3.22Å; R249-V252 PolarHBondContact O-N 3.4Å; H250-V252 VanDerWaalsContact C-N 3.32Å; H250-V252 PolarHBondContact O-N 3.26Å; V252-Q254 VanDerWaalsContact C-N 3.32Å; V252-Q254 PolarHBondContact O-N 3.28Å; V252-A255 PolarHBondContact O-N 3.41Å; V252-M256 HydrophobicContact CG1-CG 4.37Å; V252-M256 VanDerWaalsContact O-CG 3.28Å; V252-M256 WeakPolarHBondContact O-CG 3.12Å; V252-M256 PolarHBondContact O-N 3.36Å |
| 253 | D | 96.3 | Very high | 95.4 | Very high | 79 Ų | 79 | 68.5 Ų | 68.5 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.8 | -68.6 | -20.6 | 0 | 0 | 0 | 111.1 | R249 H250 M256 N257 | R249-D253 WeakPolarHBondContact O-CB 3.28Å; R249-D253 PolarHBondContact O-N 3.15Å; H250-D253 PolarHBondContact O-N 3.4Å; D253-M256 PolarHBondContact O-N 3.04Å; D253-N257 VanDerWaalsContact O-CG 3.3Å; D253-N257 PolarHBondContact O-N 3.42Å; D253-N257 PolarHBondContact O-ND2 3.06Å |
| 254 | Q | 96.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 172.4 | -175.9 | -177.1 | 69.5 | 0 | 0 | 111.4 | H250 E251 V252 M256 N257 Y258 M270 | H250-Q254 PolarHBondContact O-N 2.99Å; E251-Q254 PolarHBondContact O-N 3.34Å; V252-Q254 VanDerWaalsContact C-N 3.32Å; V252-Q254 PolarHBondContact O-N 3.28Å; Q254-M256 VanDerWaalsContact C-N 3.35Å; Q254-M256 PolarHBondContact O-N 3.48Å; Q254-N257 PolarHBondContact O-N 2.78Å; Q254-Y258 WeakPolarHBondContact O-CB 3.38Å; Q254-Y258 PolarHBondContact O-N 2.89Å; Q254-M270 VanDerWaalsContact CD-SD 3.52Å; Q254-M270 HydrophobicContact CG-SD 3.87Å; Q254-M270 PolarHBondContact NE2-SD 3Å |
| 255 | A | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F224 E251 V252 N257 Y258 F259 | F224-A255 HydrophobicContact CB-CB 3.72Å; E251-A255 WeakPolarHBondContact O-CB 3.37Å; E251-A255 PolarHBondContact O-N 3.47Å; V252-A255 PolarHBondContact O-N 3.41Å; A255-N257 PolarHBondContact O-N 2.81Å; A255-Y258 WeakPolarHBondContact O-CB 3.3Å; A255-Y258 PolarHBondContact O-N 2.96Å; A255-F259 HydrophobicContact CB-CE2 4.04Å; A255-F259 HydrophobicContact CB-CZ 4.16Å; A255-F259 WeakPolarHBondContact O-CD2 3.5Å; A255-F259 WeakPolarHBondContact O-CG 3.4Å; A255-F259 PolarHBondContact O-N 3.32Å |
| 256 | M | 96.6 | Very high | 95.7 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 20% | 0.202 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 175.1 | -67.7 | -56 | -59.3 | 0 | 0 | 111.3 | V232 V252 D253 Q254 Y258 F259 H260 | V232-M256 HydrophobicContact CG1-SD 4.35Å; V252-M256 HydrophobicContact CG1-CG 4.37Å; V252-M256 VanDerWaalsContact O-CG 3.28Å; V252-M256 WeakPolarHBondContact O-CG 3.12Å; V252-M256 PolarHBondContact O-N 3.36Å; D253-M256 PolarHBondContact O-N 3.04Å; Q254-M256 VanDerWaalsContact C-N 3.35Å; Q254-M256 PolarHBondContact O-N 3.48Å; M256-Y258 VanDerWaalsContact C-N 3.28Å; M256-Y258 PolarHBondContact O-N 3.01Å; M256-F259 PolarHBondContact O-N 3.01Å; M256-F259 HydrophobicContact SD-CD2 3.98Å; M256-F259 HydrophobicContact SD-CE2 4.32Å; M256-H260 PolarHBondContact O-N 3.08Å; M256-H260 PolarHBondContact O-ND1 2.84Å |
| 257 | N | 96 | Very high | 95.7 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 57% | 0.567 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.6 | -39.8 | 176 | -70.7 | -22 | 0 | 0 | 0 | 111.9 | D253 Q254 A255 H260 S261 | D253-N257 VanDerWaalsContact O-CG 3.3Å; D253-N257 PolarHBondContact O-N 3.42Å; D253-N257 PolarHBondContact O-ND2 3.06Å; Q254-N257 PolarHBondContact O-N 2.78Å; A255-N257 PolarHBondContact O-N 2.81Å; N257-H260 PolarHBondContact O-N 2.84Å; N257-S261 WeakPolarHBondContact O-CB 3.03Å; N257-S261 PolarHBondContact O-N 3.43Å; N257-S261 PolarHBondContact O-OG 2.86Å |
| 258 | Y | 96 | Very high | 95.6 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 174.8 | 178.7 | -95.2 | 0 | 0 | 0 | 112.5 | C225 Q254 A255 M256 S261 Q265 M268 M270 N273 R355 | C225-Y258 HydrophobicContact CB-CD1 3.6Å; C225-Y258 HydrophobicContact CB-CE1 3.88Å; C225-Y258 HydrophobicContact CB-CG 4Å; Q254-Y258 WeakPolarHBondContact O-CB 3.38Å; Q254-Y258 PolarHBondContact O-N 2.89Å; A255-Y258 WeakPolarHBondContact O-CB 3.3Å; A255-Y258 PolarHBondContact O-N 2.96Å; M256-Y258 VanDerWaalsContact C-N 3.28Å; M256-Y258 PolarHBondContact O-N 3.01Å; Y258-S261 PolarHBondContact O-N 2.89Å; Y258-Q265 HydrophobicContact CD1-CG 4.4Å; Y258-Q265 HydrophobicContact CD2-CG 4.14Å; Y258-Q265 HydrophobicContact CE1-CG 3.93Å; Y258-Q265 HydrophobicContact CE2-CB 3.81Å; Y258-Q265 HydrophobicContact CE2-CG 3.63Å; Y258-Q265 PolarHBondContact O-NE2 2.82Å; Y258-M268 HydrophobicContact CD2-CB 4.32Å; Y258-M268 HydrophobicContact CD2-SD 3.63Å; Y258-M268 HydrophobicContact CE2-CB 4.17Å; Y258-M268 HydrophobicContact CE2-SD 4.19Å; Y258-M270 HydrophobicContact CD2-CE 3.63Å; Y258-M270 HydrophobicContact CE2-CE 4.3Å; Y258-M270 HydrophobicContact CG-CE 4.24Å; Y258-N273 HydrophobicContact CE1-CB 4.45Å; Y258-N273 HydrophobicContact CE2-CB 4Å; Y258-N273 VanDerWaalsContact CE2-ND2 3.34Å; Y258-N273 WeakPolarHBondContact CE2-ND2 3.47Å; Y258-R355 VanDerWaalsContact CE1-NH1 3.3Å; Y258-R355 PolarHBondContact OH-NH1 3.19Å |
| 259 | F | 94.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 176.7 | -58.2 | -37.7 | 0 | 0 | 0 | 113 | F224 M227 P229 V232 A255 M256 V262 | F224-F259 WeakPolarHBondContact O-CZ 3.43Å; M227-F259 WeakPolarHBondContact O-CE1 3.34Å; M227-F259 VanDerWaalsContact O-CZ 3.31Å; M227-F259 WeakPolarHBondContact O-CZ 3.34Å; P229-F259 HydrophobicContact CB-CD2 4.15Å; P229-F259 HydrophobicContact CG-CB 4.08Å; P229-F259 HydrophobicContact CG-CD1 4.41Å; P229-F259 HydrophobicContact CG-CD2 3.78Å; P229-F259 HydrophobicContact CG-CE2 4.31Å; P229-F259 HydrophobicContact CG-CG 3.85Å; V232-F259 HydrophobicContact CG2-CE2 4.11Å; V232-F259 HydrophobicContact CG2-CZ 4.44Å; A255-F259 HydrophobicContact CB-CE2 4.04Å; A255-F259 HydrophobicContact CB-CZ 4.16Å; A255-F259 WeakPolarHBondContact O-CD2 3.5Å; A255-F259 WeakPolarHBondContact O-CG 3.4Å; A255-F259 PolarHBondContact O-N 3.32Å; M256-F259 PolarHBondContact O-N 3.01Å; M256-F259 HydrophobicContact SD-CD2 3.98Å; M256-F259 HydrophobicContact SD-CE2 4.32Å; F259-V262 WeakPolarHBondContact O-CG2 3.44Å |
| 260 | H | 94.9 | Very high | 95 | Very high | 142 Ų | 142 | 53.6 Ų | 53.6 | 66% | 0.657 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -72.1 | -31.5 | 176.1 | -68.8 | 94.5 | 0 | 0 | 0 | 112.2 | M256 N257 V262 | M256-H260 PolarHBondContact O-N 3.08Å; M256-H260 PolarHBondContact O-ND1 2.84Å; N257-H260 PolarHBondContact O-N 2.84Å; H260-V262 PolarHBondContact O-N 2.81Å |
| 261 | S | 94.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | trans | -86.5 | 48 | -176.5 | -51.4 | 0 | 0 | 0 | 0 | 112.4 | N257 Y258 H263 Q264 Q265 | N257-S261 WeakPolarHBondContact O-CB 3.03Å; N257-S261 PolarHBondContact O-N 3.43Å; N257-S261 PolarHBondContact O-OG 2.86Å; Y258-S261 PolarHBondContact O-N 2.89Å; S261-H263 VanDerWaalsContact C-N 3.32Å; S261-H263 PolarHBondContact O-N 2.88Å; S261-Q264 PolarHBondContact O-N 3.28Å; S261-Q265 WeakPolarHBondContact O-CG 3.45Å; S261-Q265 PolarHBondContact O-N 2.97Å | ||
| 262 | V | 93.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -50.9 | -47.3 | -167.6 | -179 | 0 | 0 | 0 | 0 | 112.7 | F259 H260 Q264 Q265 R351 L360 | F259-V262 WeakPolarHBondContact O-CG2 3.44Å; H260-V262 PolarHBondContact O-N 2.81Å; V262-Q264 PolarHBondContact O-N 2.91Å; V262-Q265 WeakPolarHBondContact O-CB 3.4Å; V262-Q265 WeakPolarHBondContact O-CG 3.3Å; V262-Q265 PolarHBondContact O-N 2.61Å; V262-R351 PolarHBondContact O-NH1 2.94Å; V262-R351 PolarHBondContact O-NH2 2.92Å; V262-L360 HydrophobicContact CG1-CD2 3.46Å; V262-L360 VanDerWaalsContact CG1-CD2 3.46Å |
| 263 | H | 93.8 | Very high | 94.4 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -67.3 | -35.9 | -177.8 | -53.9 | -77.1 | 0 | 0 | 0 | 112.5 | S261 Q265 P266 M362 I401 D404 | S261-H263 VanDerWaalsContact C-N 3.32Å; S261-H263 PolarHBondContact O-N 2.88Å; H263-Q265 PolarHBondContact O-N 3.36Å; H263-P266 WeakPolarHBondContact O-CD 3.38Å; H263-M362 WeakPolarHBondContact ND1-CE 3.46Å; H263-I401 CarbonylContact C-O 3.58Å; H263-I401 WeakPolarHBondContact CB-O 3.37Å; H263-I401 WeakPolarHBondContact O-CG2 3.49Å; H263-D404 IonicContact CE1-OD2 3.52Å; H263-D404 PolarHBondContact CE1-OD2 3.37Å; H263-D404 IonicContact ND1-OD2 2.8Å; H263-D404 PolarHBondContact ND1-OD2 2.95Å |
| 264 | Q | 93.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -80.8 | -12.8 | -176.8 | -60.3 | 179.5 | 23 | 0 | 0 | 113.9 | S261 V262 P266 L267 M268 T402 | S261-Q264 PolarHBondContact O-N 3.28Å; V262-Q264 PolarHBondContact O-N 2.91Å; Q264-P266 VanDerWaalsContact C-N 3.29Å; Q264-P266 VanDerWaalsContact O-N 3.14Å; Q264-L267 PolarHBondContact O-N 2.82Å; Q264-M268 HydrophobicContact CB-CE 3.79Å; Q264-M268 PolarHBondContact O-N 3.39Å; Q264-T402 HydrophobicContact CG-CG2 4.11Å |
| 265 | Q | 95.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -46.6 | -41.5 | 179.6 | -68.5 | -177.2 | -8.1 | 0 | 0 | 115 | Y258 S261 V262 H263 L267 M268 F328 | Y258-Q265 HydrophobicContact CD1-CG 4.4Å; Y258-Q265 HydrophobicContact CD2-CG 4.14Å; Y258-Q265 HydrophobicContact CE1-CG 3.93Å; Y258-Q265 HydrophobicContact CE2-CB 3.81Å; Y258-Q265 HydrophobicContact CE2-CG 3.63Å; Y258-Q265 PolarHBondContact O-NE2 2.82Å; S261-Q265 WeakPolarHBondContact O-CG 3.45Å; S261-Q265 PolarHBondContact O-N 2.97Å; V262-Q265 WeakPolarHBondContact O-CB 3.4Å; V262-Q265 WeakPolarHBondContact O-CG 3.3Å; V262-Q265 PolarHBondContact O-N 2.61Å; H263-Q265 PolarHBondContact O-N 3.36Å; Q265-L267 PolarHBondContact O-N 2.66Å; Q265-M268 PolarHBondContact O-N 3.48Å; Q265-F328 HydrophobicContact CB-CE2 4.35Å; Q265-F328 HydrophobicContact CB-CZ 3.98Å |
| 266 | P | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -65.8 | -15.7 | 178 | -19.7 | 34.5 | 0 | 0 | 0 | 114.1 | H263 Q264 V325 N326 F328 F330 I401 | H263-P266 WeakPolarHBondContact O-CD 3.38Å; Q264-P266 VanDerWaalsContact C-N 3.29Å; Q264-P266 VanDerWaalsContact O-N 3.14Å; P266-V325 HydrophobicContact CB-CB 3.93Å; P266-V325 HydrophobicContact CB-CG1 3.77Å; P266-N326 WeakPolarHBondContact O-CB 3.34Å; P266-N326 PolarHBondContact O-ND2 3.41Å; P266-F328 HydrophobicContact CB-CB 4.34Å; P266-F328 HydrophobicContact CB-CD2 3.63Å; P266-F328 HydrophobicContact CB-CE2 4.21Å; P266-F328 HydrophobicContact CB-CG 4.18Å; P266-F328 HydrophobicContact CG-CB 4.2Å; P266-F328 HydrophobicContact CG-CD2 3.7Å; P266-F328 HydrophobicContact CG-CE2 4.14Å; P266-F328 HydrophobicContact CG-CG 3.88Å; P266-F330 HydrophobicContact CB-CE2 4.48Å; P266-F330 HydrophobicContact CG-CE2 4.24Å; P266-F330 HydrophobicContact CG-CZ 4.08Å; P266-I401 HydrophobicContact CG-CG2 4.31Å |
| 267 | L | 95.3 | Very high | 93.7 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -103.9 | -5.5 | -179.5 | -59.1 | 176.1 | 0 | 0 | 0 | 112.7 | Q264 Q265 V325 R379 I401 T402 | Q264-L267 PolarHBondContact O-N 2.82Å; Q265-L267 PolarHBondContact O-N 2.66Å; L267-V325 HydrophobicContact CD2-CG1 3.95Å; L267-R379 HydrophobicContact CD1-CB 3.64Å; L267-R379 HydrophobicContact CD2-CB 4.37Å; L267-I401 HydrophobicContact CD1-CB 3.98Å; L267-I401 HydrophobicContact CD1-CG2 3.96Å; L267-I401 HydrophobicContact CD2-CD1 4.2Å; L267-I401 HydrophobicContact CG-CB 4.48Å; L267-I401 HydrophobicContact CG-CG2 4.08Å; L267-T402 HydrophobicContact CD1-CG2 3.51Å |
| 268 | M | 93.4 | Very high | 93.3 | Very high | 46 Ų | 46 | 49 Ų | 49 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | trans | -91.3 | 122.8 | 177.7 | -65.1 | 179.6 | 173.9 | 0 | 0 | 109.1 | Y258 Q264 Q265 M270 N273 | Y258-M268 HydrophobicContact CD2-CB 4.32Å; Y258-M268 HydrophobicContact CD2-SD 3.63Å; Y258-M268 HydrophobicContact CE2-CB 4.17Å; Y258-M268 HydrophobicContact CE2-SD 4.19Å; Q264-M268 HydrophobicContact CB-CE 3.79Å; Q264-M268 PolarHBondContact O-N 3.39Å; Q265-M268 PolarHBondContact O-N 3.48Å; M268-M270 HydrophobicContact CB-CE 4.32Å; M268-N273 PolarHBondContact O-ND2 3.42Å | ||
| 269 | E | 90 | Very high | 92.8 | Very high | 152 Ų | 152 | 55 Ų | 55 | 71% | 0.71 | 27% | 0.27 | S | S | * | . | trans | -116.2 | 110.2 | 174.9 | -71.9 | -178.1 | -162.7 | 0 | 0 | 109.8 | N326 | E269-N326 WeakPolarHBondContact CG-ND2 3.44Å; E269-N326 PolarHBondContact OE1-ND2 3.37Å; E269-N326 PolarHBondContact OE1-OD1 2.96Å | ||
| 270 | M | 92.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | trans | -139 | 152.2 | -179.5 | -60.6 | 177.9 | -67.8 | 0 | 0 | 109.1 | Q254 Y258 M268 S272 N273 K274 | Q254-M270 VanDerWaalsContact CD-SD 3.52Å; Q254-M270 HydrophobicContact CG-SD 3.87Å; Q254-M270 PolarHBondContact NE2-SD 3Å; Y258-M270 HydrophobicContact CD2-CE 3.63Å; Y258-M270 HydrophobicContact CE2-CE 4.3Å; Y258-M270 HydrophobicContact CG-CE 4.24Å; M268-M270 HydrophobicContact CB-CE 4.32Å; M270-S272 PolarHBondContact O-N 3.26Å; M270-S272 VanDerWaalsContact O-N 3.17Å; M270-N273 HydrophobicContact CE-CB 4.44Å; M270-N273 PolarHBondContact N-OD1 2.88Å; M270-N273 PolarHBondContact O-N 3.35Å; M270-N273 PolarHBondContact O-OD1 3.19Å; M270-K274 PolarHBondContact O-N 2.9Å | ||
| 271 | K | 91.7 | Very high | 92.2 | Very high | 100 Ų | 100 | 50.6 Ų | 50.6 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -55.4 | -36.6 | 170.8 | -171.4 | 178 | -175.3 | 174.8 | 0 | 111.2 | D185 N221 N273 K274 | D185-K271 WeakPolarHBondContact OD1-CE 3.5Å; D185-K271 IonicContact OD1-NZ 3.37Å; D185-K271 PolarHBondContact OD1-NZ 3.25Å; N221-K271 PolarHBondContact OD1-NZ 3.46Å; K271-N273 VanDerWaalsContact C-N 3.31Å; K271-N273 PolarHBondContact O-N 2.94Å; K271-K274 PolarHBondContact O-N 3.13Å |
| 272 | S | 93.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -69.2 | -18.5 | -177 | -167.6 | 0 | 0 | 0 | 0 | 114.9 | R223 F224 C225 M270 | R223-S272 CarbonylContact C-O 3.48Å; R223-S272 WeakPolarHBondContact CA-O 3.44Å; R223-S272 VanDerWaalsContact CB-O 3.3Å; R223-S272 WeakPolarHBondContact CB-O 3.43Å; F224-S272 PolarHBondContact N-OG 2.85Å; C225-S272 VanDerWaalsContact CB-O 3.24Å; C225-S272 WeakPolarHBondContact CB-O 3.3Å; C225-S272 PolarHBondContact N-O 2.93Å; C225-S272 PolarHBondContact N-OG 3.3Å; C225-S272 PolarHBondContact SG-OG 2.85Å; C225-S272 VanDerWaalsContact SG-OG 3.34Å; M270-S272 PolarHBondContact O-N 3.26Å; M270-S272 VanDerWaalsContact O-N 3.17Å |
| 273 | N | 93.3 | Very high | 92 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -113.3 | 0.8 | 178.8 | 77.9 | -19.3 | 0 | 0 | 0 | 114.5 | C225 L226 Y258 M268 M270 K271 I275 | C225-N273 HydrophobicContact CB-CB 3.63Å; L226-N273 WeakPolarHBondContact CD2-O 3.33Å; Y258-N273 HydrophobicContact CE1-CB 4.45Å; Y258-N273 HydrophobicContact CE2-CB 4Å; Y258-N273 VanDerWaalsContact CE2-ND2 3.34Å; Y258-N273 WeakPolarHBondContact CE2-ND2 3.47Å; M268-N273 PolarHBondContact O-ND2 3.42Å; M270-N273 HydrophobicContact CE-CB 4.44Å; M270-N273 PolarHBondContact N-OD1 2.88Å; M270-N273 PolarHBondContact O-N 3.35Å; M270-N273 PolarHBondContact O-OD1 3.19Å; K271-N273 VanDerWaalsContact C-N 3.31Å; K271-N273 PolarHBondContact O-N 2.94Å; N273-I275 PolarHBondContact O-N 3.44Å |
| 274 | K | 93.6 | Very high | 91.7 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 50% | 0.496 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -72.9 | 122.5 | 174.5 | -170.8 | -168.3 | -178.3 | -157.1 | 0 | 110.3 | D187 R223 L226 M270 K271 R276 | D187-K274 IonicContact OD2-NZ 2.58Å; D187-K274 PolarHBondContact OD2-NZ 2.87Å; R223-K274 WeakPolarHBondContact CD-O 3.38Å; R223-K274 PolarHBondContact NH1-O 3.34Å; L226-K274 WeakPolarHBondContact CD1-O 3.5Å; M270-K274 PolarHBondContact O-N 2.9Å; K271-K274 PolarHBondContact O-N 3.13Å; K274-R276 PolarHBondContact O-N 2.81Å |
| 275 | I | 93.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.077 | 20% | 0.199 | C | C | . | . | trans | -60.2 | 135.9 | 177.8 | -59.3 | -174 | 0 | 0 | 0 | 111.2 | R223 L226 N273 S277 N327 P354 R355 H591 P593 | R223-I275 VanDerWaalsContact NH1-C 3.27Å; R223-I275 PolarHBondContact NH1-O 3.02Å; L226-I275 HydrophobicContact CD2-CG1 4.34Å; N273-I275 PolarHBondContact O-N 3.44Å; I275-S277 PolarHBondContact O-N 2.89Å; I275-N327 WeakPolarHBondContact CD1-ND2 3.49Å; I275-P354 HydrophobicContact CD1-CG 4.03Å; I275-R355 HydrophobicContact CD1-CG 3.35Å; I275-R355 HydrophobicContact CG1-CG 3.67Å; I275-H591 HydrophobicContact CB-CB 4.42Å; I275-H591 HydrophobicContact CG2-CB 4.49Å; I275-P593 HydrophobicContact CG2-CB 4.32Å; I275-P593 HydrophobicContact CG2-CG 3.8Å | ||
| 276 | R | 92.7 | Very high | 90.1 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -70.7 | 98.2 | 166.4 | -73.9 | -169.8 | -171.3 | -79.7 | -6 | 109.2 | L184 N186 D187 L189 S190 E194 N221 R223 K274 | L184-R276 PolarHBondContact O-NH1 3.47Å; L184-R276 PolarHBondContact O-NH2 3.34Å; N186-R276 PolarHBondContact O-NH1 3.4Å; D187-R276 CarbonylContact O-C 3.54Å; L189-R276 WeakPolarHBondContact O-CD 3.31Å; S190-R276 WeakPolarHBondContact CB-O 3.43Å; E194-R276 WeakPolarHBondContact OE1-CD 3.5Å; E194-R276 IonicContact OE1-CZ 3.4Å; E194-R276 IonicContact OE1-NE 2.72Å; E194-R276 PolarHBondContact OE1-NE 3.16Å; E194-R276 IonicContact OE1-NH2 3.67Å; E194-R276 IonicContact OE2-NH2 2.77Å; N221-R276 PolarHBondContact O-NH2 3.35Å; R223-R276 VanDerWaalsContact NH1-CG 3.27Å; K274-R276 PolarHBondContact O-N 2.81Å | ||
| 277 | S | 91.4 | Very high | 89 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | trans | -161.1 | 106.1 | -179.8 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | D187 I275 K279 H591 F592 | D187-S277 PolarHBondContact O-N 3.13Å; I275-S277 PolarHBondContact O-N 2.89Å; S277-K279 VanDerWaalsContact C-N 3.25Å; S277-K279 PolarHBondContact O-N 3.27Å; S277-K279 PolarHBondContact OG-O 3.32Å; S277-H591 WeakPolarHBondContact CB-ND1 3.32Å; S277-H591 PolarHBondContact O-CE1 2.76Å; S277-H591 PolarHBondContact O-ND1 3.41Å; S277-H591 PolarHBondContact OG-ND1 3.11Å; S277-H591 VanDerWaalsContact OG-ND1 3.15Å; S277-F592 WeakPolarHBondContact CB-O 3.45Å; S277-F592 PolarHBondContact OG-O 3.47Å | ||
| 278 | A | 87.6 | Confident | 87.9 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 34% | 0.339 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -65.8 | -28.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D187 H188 | D187-A278 PolarHBondContact O-N 3.19Å; H188-A278 WeakPolarHBondContact CE1-CB 3.47Å; H188-A278 WeakPolarHBondContact ND1-CB 3.35Å; H188-A278 WeakPolarHBondContact NE2-CB 3.45Å |
| 279 | K | 85.7 | Confident | 86.9 | Confident | 130 Ų | 130 | 38.6 Ų | 38.6 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -138.2 | 130.9 | -177.6 | -64.9 | 179.8 | -176.5 | 170.5 | 0 | 110.6 | S277 Q281 | S277-K279 VanDerWaalsContact C-N 3.25Å; S277-K279 PolarHBondContact O-N 3.27Å; S277-K279 PolarHBondContact OG-O 3.32Å; K279-Q281 PolarHBondContact O-NE2 3.24Å |
| 280 | P | 89.3 | Confident | 85.8 | Confident | 55 Ų | 55 | 32.5 Ų | 32.5 | 36% | 0.357 | 17% | 0.17 | S | C | . | . | trans | -70 | 159.8 | 172.7 | 33.2 | -35.3 | 0 | 0 | 0 | 110.4 | S589 L590 | P280-S589 WeakPolarHBondContact CB-OG 3.41Å; P280-L590 CarbonylContact C-O 3.57Å; P280-L590 WeakPolarHBondContact CA-O 3.28Å | ||
| 281 | Q | 88 | Confident | 84.4 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139 | 178.2 | -56 | -55.8 | -46.1 | 0 | 0 | 109.3 | K279 A283 L301 H302 S589 L590 F592 | K279-Q281 PolarHBondContact O-NE2 3.24Å; Q281-A283 PolarHBondContact O-N 2.74Å; Q281-L301 PolarHBondContact OE1-O 3.32Å; Q281-H302 VanDerWaalsContact CD-ND1 3.26Å; Q281-H302 PolarHBondContact NE2-ND1 3.38Å; Q281-H302 PolarHBondContact OE1-ND1 3.48Å; Q281-S589 WeakPolarHBondContact O-CA 3.34Å; Q281-L590 PolarHBondContact N-O 2.82Å; Q281-L590 PolarHBondContact O-N 3.44Å; Q281-F592 HydrophobicContact CB-CD2 4.05Å; Q281-F592 HydrophobicContact CB-CE2 4.25Å; Q281-F592 HydrophobicContact CG-CD2 4.08Å |
| 282 | T | 90.8 | Very high | 83 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 113.4 | 168.1 | -58.7 | 0 | 0 | 0 | 0 | 107.9 | L301 V587 C588 | T282-L301 PolarHBondContact O-N 2.91Å; T282-V587 HydrophobicContact CG2-CG1 3.56Å; T282-C588 CarbonylContact C-O 3.53Å; T282-C588 WeakPolarHBondContact CA-O 3.46Å |
| 283 | A | 90.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q281 F285 I298 L299 L300 V587 C588 L590 F592 | Q281-A283 PolarHBondContact O-N 2.74Å; A283-F285 HydrophobicContact CB-CD2 4.2Å; A283-F285 HydrophobicContact CB-CE2 3.67Å; A283-I298 HydrophobicContact CB-CG2 4.18Å; A283-L299 CarbonylContact C-O 3.56Å; A283-L299 WeakPolarHBondContact CA-O 3.46Å; A283-L300 HydrophobicContact CB-CD2 3.68Å; A283-V587 WeakPolarHBondContact O-CA 3.48Å; A283-C588 PolarHBondContact N-O 2.76Å; A283-C588 PolarHBondContact O-N 2.71Å; A283-L590 HydrophobicContact CB-CD1 4.27Å; A283-F592 HydrophobicContact CB-CE2 4.36Å; A283-F592 HydrophobicContact CB-CZ 4.46Å |
| 284 | V | 89.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 112.8 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | L299 W307 L547 L582 L585 Q586 V587 | V284-L299 HydrophobicContact CB-CB 4.12Å; V284-L299 PolarHBondContact N-O 3.24Å; V284-L299 PolarHBondContact O-N 3.24Å; V284-L299 VanDerWaalsContact O-N 3.1Å; V284-W307 HydrophobicContact CG2-CH2 3.73Å; V284-W307 HydrophobicContact CG2-CZ3 3.85Å; V284-L547 HydrophobicContact CG2-CD2 4.13Å; V284-L582 HydrophobicContact CG1-CD1 4.39Å; V284-L585 HydrophobicContact CG1-CB 3.94Å; V284-L585 HydrophobicContact CG1-CD1 3.74Å; V284-L585 HydrophobicContact CG1-CG 4.49Å; V284-Q586 CarbonylContact C-O 3.44Å; V284-Q586 WeakPolarHBondContact CA-O 3.37Å; V284-V587 HydrophobicContact CG1-CG2 4.33Å; V284-V587 HydrophobicContact CG2-CG1 4.37Å; V284-V587 HydrophobicContact CG2-CG2 4.14Å |
| 285 | F | 82.3 | Confident | 79.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.9 | 173 | -76.7 | -95.2 | 0 | 0 | 0 | 109 | A283 I298 L322 V329 Y352 W359 Q586 C588 L590 | A283-F285 HydrophobicContact CB-CD2 4.2Å; A283-F285 HydrophobicContact CB-CE2 3.67Å; F285-I298 HydrophobicContact CD1-CD1 4.27Å; F285-I298 HydrophobicContact CD1-CG1 4.13Å; F285-I298 HydrophobicContact CE1-CD1 3.6Å; F285-I298 HydrophobicContact CE1-CG1 3.95Å; F285-I298 HydrophobicContact CE2-CG2 4.49Å; F285-I298 HydrophobicContact CZ-CD1 4.07Å; F285-I298 HydrophobicContact CZ-CG2 4.39Å; F285-L322 HydrophobicContact CB-CD1 3.81Å; F285-L322 HydrophobicContact CD2-CD1 3.8Å; F285-L322 HydrophobicContact CG-CD1 3.82Å; F285-V329 HydrophobicContact CD1-CG1 4.38Å; F285-V329 HydrophobicContact CE1-CB 4.49Å; F285-V329 HydrophobicContact CE1-CG1 4.21Å; F285-V329 HydrophobicContact CE2-CG2 4.01Å; F285-V329 HydrophobicContact CZ-CB 4.28Å; F285-V329 HydrophobicContact CZ-CG1 4.31Å; F285-V329 HydrophobicContact CZ-CG2 3.89Å; F285-Y352 AromaticContact CE1-CD1 3.89Å; F285-Y352 HydrophobicContact CE1-CD1 3.89Å; F285-Y352 HydrophobicContact CE1-CE1 4.27Å; F285-Y352 HydrophobicContact CE1-CG 4.2Å; F285-Y352 AromaticContact CZ-CD1 3.81Å; F285-Y352 HydrophobicContact CZ-CD1 3.81Å; F285-Y352 HydrophobicContact CZ-CE1 4.03Å; F285-W359 HydrophobicContact CD1-CH2 4.01Å; F285-W359 HydrophobicContact CD1-CZ2 4.06Å; F285-W359 AromaticContact CE1-CH2 3.99Å; F285-W359 HydrophobicContact CE1-CH2 3.99Å; F285-W359 AromaticContact CE1-CZ2 3.95Å; F285-W359 HydrophobicContact CE1-CZ2 3.95Å; F285-Q586 HydrophobicContact CB-CB 4.35Å; F285-Q586 PolarHBondContact N-O 3.06Å; F285-Q586 PolarHBondContact O-N 3.12Å; F285-C588 WeakPolarHBondContact CD2-SG 3.48Å; F285-C588 WeakPolarHBondContact CE2-SG 3.5Å; F285-L590 HydrophobicContact CE2-CD1 3.54Å; F285-L590 HydrophobicContact CZ-CD1 3.59Å |
| 286 | R | 72.3 | Confident | 78.6 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | trans | 53.7 | -165.1 | 170.4 | -49.5 | -157.1 | -169.1 | 154.7 | 14.7 | 112.9 | N295 V315 L317 P319 | R286-N295 WeakPolarHBondContact CA-O 3.24Å; R286-N295 WeakPolarHBondContact CB-O 3.47Å; R286-N295 WeakPolarHBondContact CG-O 3.35Å; R286-V315 PolarHBondContact NH1-O 2.76Å; R286-V315 VanDerWaalsContact NH2-CG2 3.31Å; R286-L317 PolarHBondContact NH1-O 3.24Å; R286-P319 HydrophobicContact CB-CG 4.24Å; R286-P319 HydrophobicContact CG-CG 4.21Å | ||
| 287 | G | 71.5 | Confident | 78.1 | Confident | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | trans | 137.4 | 154.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | N295 D583 | G287-N295 VanDerWaalsContact O-CB 3.27Å; G287-N295 WeakPolarHBondContact O-CB 3.34Å; G287-N295 PolarHBondContact O-N 3.32Å; G287-D583 CarbonylContact C-O 3.54Å; G287-D583 VanDerWaalsContact CA-O 3.24Å; G287-D583 WeakPolarHBondContact CA-O 3.3Å | ||
| 288 | M | 73.7 | Confident | 77.9 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 133.5 | 176.8 | -64.5 | -149.4 | -56.2 | 0 | 0 | 110.9 | G290 M293 R318 L582 D583 | M288-G290 WeakPolarHBondContact CB-O 3.48Å; M288-M293 WeakPolarHBondContact CA-O 3.29Å; M288-R318 VanDerWaalsContact CE-NH2 3.31Å; M288-R318 HydrophobicContact CG-CG 4.18Å; M288-R318 VanDerWaalsContact SD-CD 3.55Å; M288-R318 HydrophobicContact SD-CG 4.2Å; M288-R318 PolarHBondContact SD-NE 3.06Å; M288-R318 VanDerWaalsContact SD-NE 3.38Å; M288-R318 PolarHBondContact SD-NH1 3.4Å; M288-L582 WeakPolarHBondContact O-CA 3.27Å; M288-D583 PolarHBondContact N-O 3.01Å; M288-D583 PolarHBondContact O-N 2.95Å |
| 289 | I | 71.5 | Confident | 77.9 | Confident | 60 Ų | 60 | 40 Ų | 40 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 103.1 | 165.6 | -61.8 | 167.4 | 0 | 0 | 0 | 106.4 | M293 N295 L582 | I289-M293 HydrophobicContact CB-CB 4.39Å; I289-M293 HydrophobicContact CB-CE 4.02Å; I289-M293 HydrophobicContact CD1-CE 3.72Å; I289-M293 HydrophobicContact CG1-CE 4.47Å; I289-M293 HydrophobicContact CG2-CE 3.96Å; I289-M293 PolarHBondContact N-O 3.2Å; I289-N295 HydrophobicContact CD1-CB 4.22Å; I289-N295 HydrophobicContact CG1-CB 4.4Å; I289-L582 HydrophobicContact CD1-CD2 4.47Å; I289-L582 HydrophobicContact CG1-CD2 3.6Å |
| 290 | G | 67.1 | Low | 78.1 | Confident | 24 Ų | 24 | 34 Ų | 34 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -134.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M288 | M288-G290 WeakPolarHBondContact CB-O 3.48Š|
| 291 | H | 63.1 | Low | 78 | Confident | 147 Ų | 147 | 31.9 Ų | 31.9 | 68% | 0.681 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -5.3 | -172.5 | -69.4 | -79.6 | 0 | 0 | 0 | 115.2 | Y556 | H291-Y556 PolarHBondContact CE1-OH 2.91Å; H291-Y556 PolarHBondContact ND1-OH 2.89Å; H291-Y556 PolarHBondContact NE2-OH 3.29Å; H291-Y556 VanDerWaalsContact NE2-OH 3.1Å |
| 292 | S | 63 | Low | 77.5 | Confident | 93 Ų | 93 | 34.3 Ų | 34.3 | 65% | 0.65 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -140.2 | -21.1 | -163.4 | 47.1 | 0 | 0 | 0 | 0 | 116 | ||
| 293 | M | 67.6 | Low | 76.3 | Confident | 110 Ų | 110 | 39.4 Ų | 39.4 | 54% | 0.542 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120 | -175.3 | -171.9 | 165.3 | 65.3 | 0 | 0 | 111.4 | M288 I289 | M288-M293 WeakPolarHBondContact CA-O 3.29Å; I289-M293 HydrophobicContact CB-CB 4.39Å; I289-M293 HydrophobicContact CB-CE 4.02Å; I289-M293 HydrophobicContact CD1-CE 3.72Å; I289-M293 HydrophobicContact CG1-CE 4.47Å; I289-M293 HydrophobicContact CG2-CE 3.96Å; I289-M293 PolarHBondContact N-O 3.2Å |
| 294 | V | 70.8 | Confident | 75.1 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 125 | 172.5 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | S296 R318 | V294-S296 PolarHBondContact O-N 3.12Å; V294-R318 HydrophobicContact CG2-CB 4.04Å |
| 295 | N | 71.9 | Confident | 74.8 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | trans | -68.7 | 114.9 | 168.5 | -177.2 | 11.3 | 0 | 0 | 0 | 109.1 | R286 G287 I289 K297 L582 | R286-N295 WeakPolarHBondContact CA-O 3.24Å; R286-N295 WeakPolarHBondContact CB-O 3.47Å; R286-N295 WeakPolarHBondContact CG-O 3.35Å; G287-N295 VanDerWaalsContact O-CB 3.27Å; G287-N295 WeakPolarHBondContact O-CB 3.34Å; G287-N295 PolarHBondContact O-N 3.32Å; I289-N295 HydrophobicContact CD1-CB 4.22Å; I289-N295 HydrophobicContact CG1-CB 4.4Å; N295-K297 WeakPolarHBondContact OD1-CB 3.3Å; N295-K297 PolarHBondContact OD1-N 3.15Å; N295-L582 HydrophobicContact CB-CD2 3.8Å | ||
| 296 | S | 71.3 | Confident | 74.9 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | trans | -86.7 | -12.7 | 178.8 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | V294 Q314 | V294-S296 PolarHBondContact O-N 3.12Å; S296-Q314 PolarHBondContact OG-NE2 2.89Å | ||
| 297 | K | 80.9 | Confident | 75.7 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 27% | 0.274 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -84.2 | 146.6 | -176.4 | -57.6 | -175.4 | -178.5 | -171 | 0 | 110.2 | N295 E309 | N295-K297 WeakPolarHBondContact OD1-CB 3.3Å; N295-K297 PolarHBondContact OD1-N 3.15Å; K297-E309 HydrophobicContact CD-CB 4.07Å; K297-E309 HydrophobicContact CD-CG 4.45Å; K297-E309 WeakPolarHBondContact CD-OE2 3.43Å; K297-E309 IonicContact NZ-OE1 3.92Å; K297-E309 PolarHBondContact NZ-OE1 3.41Å; K297-E309 IonicContact NZ-OE2 3.7Å; K297-E309 PolarHBondContact NZ-OE2 3.12Å |
| 298 | I | 87.1 | Confident | 76.5 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119 | 167.2 | -59.5 | 169 | 0 | 0 | 0 | 106.6 | A283 F285 L300 L310 Y352 | A283-I298 HydrophobicContact CB-CG2 4.18Å; F285-I298 HydrophobicContact CD1-CD1 4.27Å; F285-I298 HydrophobicContact CD1-CG1 4.13Å; F285-I298 HydrophobicContact CE1-CD1 3.6Å; F285-I298 HydrophobicContact CE1-CG1 3.95Å; F285-I298 HydrophobicContact CE2-CG2 4.49Å; F285-I298 HydrophobicContact CZ-CD1 4.07Å; F285-I298 HydrophobicContact CZ-CG2 4.39Å; I298-L300 HydrophobicContact CG2-CD2 3.82Å; I298-L300 HydrophobicContact CG2-CG 4.37Å; I298-L310 HydrophobicContact CB-CB 4.24Å; I298-L310 HydrophobicContact CD1-CD2 4.44Å; I298-L310 PolarHBondContact N-O 3.32Å; I298-L310 VanDerWaalsContact N-O 3.08Å; I298-L310 PolarHBondContact O-N 3.5Å; I298-Y352 HydrophobicContact CD1-CE1 4.02Å; I298-Y352 HydrophobicContact CD1-CE2 3.86Å |
| 299 | L | 89.3 | Confident | 77.1 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.3 | 175.9 | -52.3 | 172.9 | 0 | 0 | 0 | 108.9 | A283 V284 W307 W308 E309 P579 L582 | A283-L299 CarbonylContact C-O 3.56Å; A283-L299 WeakPolarHBondContact CA-O 3.46Å; V284-L299 HydrophobicContact CB-CB 4.12Å; V284-L299 PolarHBondContact N-O 3.24Å; V284-L299 PolarHBondContact O-N 3.24Å; V284-L299 VanDerWaalsContact O-N 3.1Å; L299-W307 HydrophobicContact CB-CE3 3.83Å; L299-W307 HydrophobicContact CB-CZ3 3.72Å; L299-W308 CarbonylContact C-O 3.55Å; L299-W308 WeakPolarHBondContact CA-O 3.38Å; L299-E309 HydrophobicContact CD2-CB 4.31Å; L299-P579 HydrophobicContact CD2-CG 4.37Å; L299-L582 HydrophobicContact CD1-CD1 3.79Å |
| 300 | L | 90.1 | Very high | 77.7 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.6 | -179 | -58.4 | 176.2 | 0 | 0 | 0 | 109.4 | A283 I298 W307 W308 L310 F592 L597 V600 | A283-L300 HydrophobicContact CB-CD2 3.68Å; I298-L300 HydrophobicContact CG2-CD2 3.82Å; I298-L300 HydrophobicContact CG2-CG 4.37Å; L300-W307 WeakPolarHBondContact O-CA 3.38Å; L300-W308 HydrophobicContact CB-CB 4.35Å; L300-W308 PolarHBondContact N-O 2.95Å; L300-W308 PolarHBondContact O-N 3.47Å; L300-L310 HydrophobicContact CD1-CB 4.23Å; L300-F592 HydrophobicContact CD2-CD2 4.47Å; L300-F592 HydrophobicContact CD2-CE2 3.69Å; L300-F592 HydrophobicContact CD2-CZ 3.87Å; L300-L597 HydrophobicContact CD1-CD2 3.52Å; L300-V600 HydrophobicContact CD1-CG1 4.14Å |
| 301 | L | 87.1 | Confident | 78.2 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 104.2 | 172.5 | 179 | 63.2 | 0 | 0 | 0 | 109.3 | Q281 T282 W307 M545 Y575 P576 | Q281-L301 PolarHBondContact OE1-O 3.32Å; T282-L301 PolarHBondContact O-N 2.91Å; L301-W307 HydrophobicContact CB-CD2 4.33Å; L301-W307 HydrophobicContact CB-CE3 4.07Å; L301-W307 HydrophobicContact CB-CH2 3.89Å; L301-W307 HydrophobicContact CB-CZ2 4.13Å; L301-W307 HydrophobicContact CB-CZ3 3.85Å; L301-W307 HydrophobicContact CD1-CD2 4.15Å; L301-W307 HydrophobicContact CD1-CG 4.45Å; L301-W307 HydrophobicContact CD1-CZ2 4.21Å; L301-W307 HydrophobicContact CD2-CZ2 4.28Å; L301-W307 HydrophobicContact CG-CZ2 4.45Å; L301-M545 HydrophobicContact CD2-CE 3.88Å; L301-Y575 HydrophobicContact CD2-CD1 3.77Å; L301-Y575 HydrophobicContact CD2-CE1 4.19Å; L301-P576 HydrophobicContact CD1-CG 3.94Å |
| 302 | H | 76 | Confident | 78.3 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 159.3 | -176.4 | -159.6 | 60.7 | 0 | 0 | 0 | 112.5 | Q281 P304 R305 V306 | Q281-H302 VanDerWaalsContact CD-ND1 3.26Å; Q281-H302 PolarHBondContact NE2-ND1 3.38Å; Q281-H302 PolarHBondContact OE1-ND1 3.48Å; H302-P304 CarbonylContact O-C 3.55Å; H302-R305 CarbonylContact O-C 3.58Å; H302-R305 WeakPolarHBondContact O-CA 3.41Å; H302-R305 PolarHBondContact O-N 3.03Å; H302-V306 PolarHBondContact N-O 3.29Å; H302-V306 PolarHBondContact O-N 2.79Å |
| 303 | K | 66.3 | Low | 78.3 | Confident | 109 Ų | 109 | 49.8 Ų | 49.8 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 136.7 | 172.1 | -70.2 | -171.7 | 176.6 | -177 | 0 | 110.1 | D541 | K303-D541 IonicContact NZ-OD1 2.76Å; K303-D541 PolarHBondContact NZ-OD1 3.23Å; K303-D541 IonicContact NZ-OD2 3.56Å; K303-D541 PolarHBondContact NZ-OD2 2.94Å |
| 304 | P | 66.3 | Low | 78.4 | Confident | 121 Ų | 121 | 51 Ų | 51 | 79% | 0.786 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -79.8 | 106.2 | 0.3 | 31.3 | -31.6 | 0 | 0 | 0 | 111.4 | H302 V306 | H302-P304 CarbonylContact O-C 3.55Å; P304-V306 WeakPolarHBondContact O-CG2 3.41Å; P304-V306 PolarHBondContact O-N 2.93Å |
| 305 | R | 81.6 | Confident | 78.5 | Confident | 107 Ų | 107 | 49.4 Ų | 49.4 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 18.3 | 69.8 | 178.4 | -58.7 | 179.8 | 176.6 | 160.4 | 0.1 | 114.1 | H302 E574 Y575 P576 | H302-R305 CarbonylContact O-C 3.58Å; H302-R305 WeakPolarHBondContact O-CA 3.41Å; H302-R305 PolarHBondContact O-N 3.03Å; R305-E574 WeakPolarHBondContact CD-O 3.5Å; R305-E574 PolarHBondContact NH1-O 3.21Å; R305-Y575 HydrophobicContact CB-CD1 4.43Å; R305-Y575 HydrophobicContact CG-CD1 3.83Å; R305-Y575 HydrophobicContact CG-CE1 3.96Å; R305-P576 HydrophobicContact CB-CG 4.28Å; R305-P576 WeakPolarHBondContact O-CD 3.31Å; R305-P576 WeakPolarHBondContact O-CG 3.18Å |
| 306 | V | 85.6 | Confident | 78.3 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.5 | 177.3 | 166.3 | 0 | 0 | 0 | 0 | 109.1 | H302 P304 R602 | H302-V306 PolarHBondContact N-O 3.29Å; H302-V306 PolarHBondContact O-N 2.79Å; P304-V306 WeakPolarHBondContact O-CG2 3.41Å; P304-V306 PolarHBondContact O-N 2.93Å; V306-R602 HydrophobicContact CG1-CG 3.94Å |
| 307 | W | 88.3 | Confident | 78.4 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 5% | 0.045 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 135.2 | 177.1 | -73.6 | 104.6 | 0 | 0 | 0 | 112.3 | V284 L299 L300 L301 L547 I560 P576 R577 M578 P579 C603 | V284-W307 HydrophobicContact CG2-CH2 3.73Å; V284-W307 HydrophobicContact CG2-CZ3 3.85Å; L299-W307 HydrophobicContact CB-CE3 3.83Å; L299-W307 HydrophobicContact CB-CZ3 3.72Å; L300-W307 WeakPolarHBondContact O-CA 3.38Å; L301-W307 HydrophobicContact CB-CD2 4.33Å; L301-W307 HydrophobicContact CB-CE3 4.07Å; L301-W307 HydrophobicContact CB-CH2 3.89Å; L301-W307 HydrophobicContact CB-CZ2 4.13Å; L301-W307 HydrophobicContact CB-CZ3 3.85Å; L301-W307 HydrophobicContact CD1-CD2 4.15Å; L301-W307 HydrophobicContact CD1-CG 4.45Å; L301-W307 HydrophobicContact CD1-CZ2 4.21Å; L301-W307 HydrophobicContact CD2-CZ2 4.28Å; L301-W307 HydrophobicContact CG-CZ2 4.45Å; W307-L547 HydrophobicContact CH2-CD2 3.86Å; W307-L547 HydrophobicContact CZ2-CD2 4.13Å; W307-I560 HydrophobicContact CZ2-CD1 3.7Å; W307-P576 PolarHBondContact NE1-O 3.07Å; W307-R577 PolarHBondContact NE1-O 3.22Å; W307-R577 VanDerWaalsContact NE1-O 3.12Å; W307-M578 HydrophobicContact CH2-CG 4.22Å; W307-M578 HydrophobicContact CZ2-CB 4.49Å; W307-M578 HydrophobicContact CZ2-CG 3.7Å; W307-P579 HydrophobicContact CB-CG 3.49Å; W307-P579 VanDerWaalsContact CB-CG 3.49Å; W307-P579 HydrophobicContact CD2-CG 4.31Å; W307-P579 HydrophobicContact CG-CG 3.8Å; W307-C603 HydrophobicContact CB-CB 4.17Å; W307-C603 PolarHBondContact O-N 3Å |
| 308 | W | 87.6 | Confident | 78.2 | Confident | 73 Ų | 73 | 50.7 Ų | 50.7 | 28% | 0.277 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.7 | 174.8 | -61.3 | 79.2 | 0 | 0 | 0 | 109.6 | L299 L300 V600 R601 R602 C603 | L299-W308 CarbonylContact C-O 3.55Å; L299-W308 WeakPolarHBondContact CA-O 3.38Å; L300-W308 HydrophobicContact CB-CB 4.35Å; L300-W308 PolarHBondContact N-O 2.95Å; L300-W308 PolarHBondContact O-N 3.47Å; W308-V600 HydrophobicContact CB-CB 4.23Å; W308-V600 HydrophobicContact CB-CG2 4.01Å; W308-V600 HydrophobicContact CD2-CG2 3.85Å; W308-V600 HydrophobicContact CE3-CB 4.15Å; W308-V600 HydrophobicContact CE3-CG2 3.31Å; W308-V600 HydrophobicContact CG-CG2 4.16Å; W308-V600 HydrophobicContact CZ3-CG2 4.02Å; W308-R601 CarbonylContact C-O 3.52Å; W308-R601 WeakPolarHBondContact CA-O 3.2Å; W308-R602 HydrophobicContact CD2-CB 4.32Å; W308-R602 HydrophobicContact CE3-CB 3.94Å; W308-R602 VanDerWaalsContact CE3-N 3.27Å; W308-R602 HydrophobicContact CH2-CB 4.16Å; W308-R602 HydrophobicContact CZ2-CB 4.5Å; W308-R602 HydrophobicContact CZ3-CB 3.87Å; W308-C603 VanDerWaalsContact C-SG 3.56Å |
| 309 | E | 87.4 | Confident | 77.2 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 16% | 0.159 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.5 | 173.4 | 53.8 | 177 | -138.3 | 0 | 0 | 110.7 | K297 L299 V600 R601 | K297-E309 HydrophobicContact CD-CB 4.07Å; K297-E309 HydrophobicContact CD-CG 4.45Å; K297-E309 WeakPolarHBondContact CD-OE2 3.43Å; K297-E309 IonicContact NZ-OE1 3.92Å; K297-E309 PolarHBondContact NZ-OE1 3.41Å; K297-E309 IonicContact NZ-OE2 3.7Å; K297-E309 PolarHBondContact NZ-OE2 3.12Å; L299-E309 HydrophobicContact CD2-CB 4.31Å; E309-V600 WeakPolarHBondContact O-CA 3.31Å; E309-V600 WeakPolarHBondContact O-CB 3.45Å; E309-R601 HydrophobicContact CG-CB 3.95Å; E309-R601 WeakPolarHBondContact CG-O 3.45Å; E309-R601 PolarHBondContact N-O 3.18Å; E309-R601 PolarHBondContact O-N 2.81Å |
| 310 | L | 84.4 | Confident | 76.3 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 113.3 | 169.1 | -177.6 | 64 | 0 | 0 | 0 | 108.1 | I298 L300 G312 Y352 N357 F592 V600 | I298-L310 HydrophobicContact CB-CB 4.24Å; I298-L310 HydrophobicContact CD1-CD2 4.44Å; I298-L310 PolarHBondContact N-O 3.32Å; I298-L310 VanDerWaalsContact N-O 3.08Å; I298-L310 PolarHBondContact O-N 3.5Å; L300-L310 HydrophobicContact CD1-CB 4.23Å; L310-G312 PolarHBondContact O-N 2.9Å; L310-Y352 VanDerWaalsContact CD2-OH 3.31Å; L310-Y352 WeakPolarHBondContact CD2-OH 3.18Å; L310-N357 WeakPolarHBondContact CD2-OD1 3.28Å; L310-F592 HydrophobicContact CD2-CE1 4.07Å; L310-V600 HydrophobicContact CB-CG1 3.77Å; L310-V600 HydrophobicContact CD1-CG1 3.6Å; L310-V600 HydrophobicContact CG-CG1 4.23Å |
| 311 | E | 77.3 | Confident | 76.1 | Confident | 109 Ų | 109 | 52 Ų | 52 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | trans | -70.6 | 124.5 | 168.9 | -70.7 | -176.7 | -175.1 | 0 | 0 | 108.3 | N357 R601 | E311-N357 PolarHBondContact O-ND2 3.4Å; E311-R601 IonicContact OE1-NH1 2.65Å; E311-R601 PolarHBondContact OE1-NH1 3.2Å | ||
| 312 | G | 65.3 | Low | 76.3 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | trans | -127.9 | 166.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L310 Q314 | L310-G312 PolarHBondContact O-N 2.9Å; G312-Q314 PolarHBondContact O-N 2.97Å | ||
| 313 | P | 62.1 | Low | 77.1 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 41% | 0.409 | 25% | 0.254 | S | S | . | . | trans | -55.8 | 134.6 | 175.6 | -17.4 | 25.5 | 0 | 0 | 0 | 110.8 | N357 W359 | P313-N357 VanDerWaalsContact CD-O 3.27Å; P313-N357 WeakPolarHBondContact CD-O 2.96Å; P313-W359 VanDerWaalsContact O-CD1 3.26Å; P313-W359 PolarHBondContact O-NE1 3.36Å | ||
| 314 | Q | 70.9 | Confident | 78.4 | Confident | 135 Ų | 135 | 47.7 Ų | 47.7 | 63% | 0.631 | 25% | 0.249 | S | C | * | . | trans | -69 | 136.2 | -178 | -63.6 | -67 | -29.9 | 0 | 0 | 110.2 | S296 G312 | S296-Q314 PolarHBondContact OG-NE2 2.89Å; G312-Q314 PolarHBondContact O-N 2.97Å | ||
| 315 | V | 71.1 | Confident | 79.8 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | trans | -127.5 | 127.6 | 170.2 | 175.4 | 0 | 0 | 0 | 0 | 106.8 | R286 L317 F350 W359 | R286-V315 PolarHBondContact NH1-O 2.76Å; R286-V315 VanDerWaalsContact NH2-CG2 3.31Å; V315-L317 HydrophobicContact CG1-CB 4.22Å; V315-L317 HydrophobicContact CG1-CD1 4.08Å; V315-L317 HydrophobicContact CG1-CG 3.98Å; V315-L317 PolarHBondContact O-N 3.24Å; V315-F350 HydrophobicContact CG1-CD1 3.99Å; V315-F350 HydrophobicContact CG1-CD2 3.5Å; V315-F350 HydrophobicContact CG1-CE1 3.94Å; V315-F350 HydrophobicContact CG1-CE2 3.45Å; V315-F350 VanDerWaalsContact CG1-CE2 3.45Å; V315-F350 HydrophobicContact CG1-CG 3.77Å; V315-F350 HydrophobicContact CG1-CZ 3.68Å; V315-F350 HydrophobicContact CG2-CD1 4.18Å; V315-F350 HydrophobicContact CG2-CE1 4.5Å; V315-F350 HydrophobicContact CG2-CG 4.38Å; V315-W359 HydrophobicContact CG2-CB 4.28Å; V315-W359 HydrophobicContact CG2-CD2 3.9Å; V315-W359 HydrophobicContact CG2-CE3 4.4Å; V315-W359 HydrophobicContact CG2-CG 3.83Å | ||
| 316 | P | 69.1 | Low | 80.2 | Confident | 93 Ų | 93 | 41 Ų | 41 | 60% | 0.604 | 21% | 0.214 | S | C | * | . | trans | -81.1 | 46.2 | -172.4 | 36.2 | -38.6 | 0 | 0 | 0 | 111.9 | E336 | P316-E336 WeakPolarHBondContact O-CB 3.36Š| ||
| 317 | L | 72.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -120 | 135.8 | 176.7 | -64.9 | 176.4 | 0 | 0 | 0 | 110 | R286 V315 P319 E336 S346 K348 F350 | R286-L317 PolarHBondContact NH1-O 3.24Å; V315-L317 HydrophobicContact CG1-CB 4.22Å; V315-L317 HydrophobicContact CG1-CD1 4.08Å; V315-L317 HydrophobicContact CG1-CG 3.98Å; V315-L317 PolarHBondContact O-N 3.24Å; L317-P319 WeakPolarHBondContact O-CD 3.49Å; L317-E336 HydrophobicContact CD2-CB 4.16Å; L317-S346 WeakPolarHBondContact CD2-OG 3.49Å; L317-K348 HydrophobicContact CD1-CB 4.34Å; L317-K348 HydrophobicContact CD2-CB 4.44Å; L317-F350 HydrophobicContact CD1-CD2 3.46Å; L317-F350 VanDerWaalsContact CD1-CD2 3.46Å; L317-F350 HydrophobicContact CD1-CE2 3.46Å; L317-F350 VanDerWaalsContact CD1-CE2 3.46Å; L317-F350 HydrophobicContact CG-CD2 4.41Å; L317-F350 HydrophobicContact CG-CE2 4Å | ||
| 318 | R | 76.6 | Confident | 80.9 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 19% | 0.192 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -84.8 | 94.1 | 153.6 | 176.8 | -168.9 | 166.5 | 168.6 | 5.5 | 106.4 | M288 V294 G334 E335 | M288-R318 VanDerWaalsContact CE-NH2 3.31Å; M288-R318 HydrophobicContact CG-CG 4.18Å; M288-R318 VanDerWaalsContact SD-CD 3.55Å; M288-R318 HydrophobicContact SD-CG 4.2Å; M288-R318 PolarHBondContact SD-NE 3.06Å; M288-R318 VanDerWaalsContact SD-NE 3.38Å; M288-R318 PolarHBondContact SD-NH1 3.4Å; V294-R318 HydrophobicContact CG2-CB 4.04Å; R318-G334 CarbonylContact O-C 3.49Å; R318-G334 VanDerWaalsContact O-CA 3.27Å; R318-G334 WeakPolarHBondContact O-CA 3.5Å; R318-E335 HydrophobicContact CB-CB 4.3Å; R318-E335 WeakPolarHBondContact CB-O 3.48Å; R318-E335 WeakPolarHBondContact CD-OE2 3.39Å; R318-E335 IonicContact CZ-OE2 3.98Å; R318-E335 PolarHBondContact N-O 3.21Å; R318-E335 IonicContact NE-OE2 3.71Å; R318-E335 IonicContact NH1-OE2 2.93Å; R318-E335 PolarHBondContact NH1-OE2 2.94Å; R318-E335 PolarHBondContact O-N 3.47Å |
| 319 | P | 66.3 | Low | 81.2 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | trans | -86.1 | 131.9 | -171.2 | 16.4 | 0.7 | 0 | 0 | 0 | 110.3 | R286 L317 L331 | R286-P319 HydrophobicContact CB-CG 4.24Å; R286-P319 HydrophobicContact CG-CG 4.21Å; L317-P319 WeakPolarHBondContact O-CD 3.49Å; P319-L331 HydrophobicContact CB-CB 4.43Å; P319-L331 HydrophobicContact CB-CD1 4.42Å; P319-L331 HydrophobicContact CB-CD2 4.1Å; P319-L331 HydrophobicContact CG-CD1 4.05Å; P319-L331 HydrophobicContact CG-CD2 4.26Å | ||
| 320 | D | 71.7 | Confident | 81.5 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | trans | -93.4 | -19.3 | 176.4 | -63.6 | -32.9 | 0 | 0 | 0 | 112.5 | S370 E371 Q586 | D320-S370 WeakPolarHBondContact OD2-CA 3.34Å; D320-S370 VanDerWaalsContact OD2-CB 3.28Å; D320-S370 WeakPolarHBondContact OD2-CB 3.36Å; D320-E371 PolarHBondContact OD2-N 3.1Å; D320-Q586 PolarHBondContact O-NE2 2.8Å | ||
| 321 | C | 86.1 | Confident | 81.8 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 5% | 0.054 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140 | -172.3 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | L332 F372 V374 | C321-L332 PolarHBondContact O-N 3.48Å; C321-F372 HydrophobicContact CB-CE1 4.42Å; C321-F372 HydrophobicContact CB-CE2 4.21Å; C321-F372 HydrophobicContact CB-CZ 4.03Å; C321-F372 PolarHBondContact SG-O 2.92Å; C321-V374 HydrophobicContact CB-CB 4.15Å; C321-V374 HydrophobicContact CB-CG2 3.48Å; C321-V374 VanDerWaalsContact CB-CG2 3.48Å |
| 322 | L | 89.8 | Confident | 82.6 | Confident | 28 Ų | 28 | 30.3 Ų | 30.3 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.2 | 176.5 | -172.6 | 151.3 | 0 | 0 | 0 | 109.5 | F285 I324 V329 F330 L331 Q586 C588 | F285-L322 HydrophobicContact CB-CD1 3.81Å; F285-L322 HydrophobicContact CD2-CD1 3.8Å; F285-L322 HydrophobicContact CG-CD1 3.82Å; L322-I324 HydrophobicContact CD2-CD1 4.2Å; L322-I324 HydrophobicContact CD2-CG1 3.5Å; L322-V329 HydrophobicContact CD1-CG1 3.56Å; L322-V329 HydrophobicContact CD2-CG1 4.1Å; L322-V329 HydrophobicContact CG-CG1 3.65Å; L322-F330 WeakPolarHBondContact CA-O 3.21Å; L322-L331 HydrophobicContact CB-CD2 4.27Å; L322-L331 HydrophobicContact CD1-CD2 4.01Å; L322-L331 HydrophobicContact CG-CD2 4.18Å; L322-Q586 HydrophobicContact CB-CB 3.77Å; L322-Q586 HydrophobicContact CB-CG 3.94Å; L322-Q586 HydrophobicContact CD1-CB 3.72Å; L322-Q586 HydrophobicContact CG-CB 4.38Å; L322-C588 HydrophobicContact CD2-CB 4.2Å |
| 323 | A | 93.4 | Very high | 83.8 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V329 F330 L332 V374 V376 V381 | A323-V329 CarbonylContact O-C 3.53Å; A323-V329 WeakPolarHBondContact O-CA 3.19Å; A323-F330 HydrophobicContact CB-CB 4.18Å; A323-F330 PolarHBondContact N-O 2.91Å; A323-F330 PolarHBondContact O-N 2.99Å; A323-L332 HydrophobicContact CB-CD1 4.05Å; A323-V374 HydrophobicContact CB-CG1 3.78Å; A323-V376 HydrophobicContact CB-CG2 3.64Å; A323-V381 HydrophobicContact CB-CG1 3.94Å |
| 324 | I | 93.9 | Very high | 85.1 | Confident | 70 Ų | 70 | 26.7 Ų | 26.7 | 36% | 0.359 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.9 | 176.4 | -50.1 | 164 | 0 | 0 | 0 | 108.1 | L322 F328 C588 L590 | L322-I324 HydrophobicContact CD2-CD1 4.2Å; L322-I324 HydrophobicContact CD2-CG1 3.5Å; I324-F328 WeakPolarHBondContact CA-O 3.4Å; I324-C588 HydrophobicContact CD1-CB 3.29Å; I324-C588 HydrophobicContact CG1-CB 4.04Å; I324-L590 HydrophobicContact CG2-CD2 4.27Å |
| 325 | V | 94.6 | Very high | 85.9 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 6% | 0.061 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 110.6 | 173.3 | -168.1 | 0 | 0 | 0 | 0 | 107.4 | P266 L267 N327 F328 F330 V376 V381 I401 | P266-V325 HydrophobicContact CB-CB 3.93Å; P266-V325 HydrophobicContact CB-CG1 3.77Å; L267-V325 HydrophobicContact CD2-CG1 3.95Å; V325-N327 VanDerWaalsContact C-N 3.35Å; V325-N327 PolarHBondContact O-N 3.07Å; V325-F328 PolarHBondContact N-O 2.74Å; V325-F328 WeakPolarHBondContact O-CB 3.23Å; V325-F328 PolarHBondContact O-N 2.97Å; V325-F330 HydrophobicContact CB-CE2 4.07Å; V325-F330 HydrophobicContact CG2-CD2 4.06Å; V325-F330 HydrophobicContact CG2-CE2 3.86Å; V325-V376 HydrophobicContact CG2-CG1 3.88Å; V325-V376 HydrophobicContact CG2-CG2 4.07Å; V325-V381 HydrophobicContact CG2-CG2 4.5Å; V325-I401 HydrophobicContact CB-CD1 4.41Å; V325-I401 HydrophobicContact CG1-CD1 4.03Å; V325-I401 HydrophobicContact CG2-CD1 3.86Å |
| 326 | N | 91.4 | Very high | 86.6 | Confident | 76 Ų | 76 | 23 Ų | 23 | 41% | 0.406 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 40.8 | 58 | -179.1 | -67.1 | -13.6 | 0 | 0 | 0 | 114.1 | P266 E269 F328 | P266-N326 WeakPolarHBondContact O-CB 3.34Å; P266-N326 PolarHBondContact O-ND2 3.41Å; E269-N326 WeakPolarHBondContact CG-ND2 3.44Å; E269-N326 PolarHBondContact OE1-ND2 3.37Å; E269-N326 PolarHBondContact OE1-OD1 2.96Å; N326-F328 WeakPolarHBondContact O-CD2 3.43Å; N326-F328 PolarHBondContact O-N 3.25Å |
| 327 | N | 93.4 | Very high | 87.3 | Confident | 29 Ų | 29 | 23.9 Ų | 23.9 | 16% | 0.155 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 3.1 | 177.7 | -153.3 | 57.6 | 0 | 0 | 0 | 115.8 | I275 V325 P354 L590 H591 | I275-N327 WeakPolarHBondContact CD1-ND2 3.49Å; V325-N327 VanDerWaalsContact C-N 3.35Å; V325-N327 PolarHBondContact O-N 3.07Å; N327-P354 WeakPolarHBondContact ND2-CG 3.32Å; N327-P354 VanDerWaalsContact O-CD 3.28Å; N327-P354 WeakPolarHBondContact O-CD 3.39Å; N327-P354 WeakPolarHBondContact O-CG 3.24Å; N327-L590 VanDerWaalsContact OD1-CA 3.23Å; N327-L590 WeakPolarHBondContact OD1-CA 3.33Å; N327-L590 WeakPolarHBondContact OD1-CD2 3.37Å; N327-H591 PolarHBondContact ND2-O 2.93Å; N327-H591 PolarHBondContact OD1-N 2.91Å |
| 328 | F | 94.6 | Very high | 87.8 | Confident | 10 Ų | 10 | 24.5 Ų | 24.5 | 4% | 0.044 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 141.1 | 163.6 | -63.9 | -90.6 | 0 | 0 | 0 | 109.9 | Q265 P266 I324 V325 N326 F330 R351 D353 R355 | Q265-F328 HydrophobicContact CB-CE2 4.35Å; Q265-F328 HydrophobicContact CB-CZ 3.98Å; P266-F328 HydrophobicContact CB-CB 4.34Å; P266-F328 HydrophobicContact CB-CD2 3.63Å; P266-F328 HydrophobicContact CB-CE2 4.21Å; P266-F328 HydrophobicContact CB-CG 4.18Å; P266-F328 HydrophobicContact CG-CB 4.2Å; P266-F328 HydrophobicContact CG-CD2 3.7Å; P266-F328 HydrophobicContact CG-CE2 4.14Å; P266-F328 HydrophobicContact CG-CG 3.88Å; I324-F328 WeakPolarHBondContact CA-O 3.4Å; V325-F328 PolarHBondContact N-O 2.74Å; V325-F328 WeakPolarHBondContact O-CB 3.23Å; V325-F328 PolarHBondContact O-N 2.97Å; N326-F328 WeakPolarHBondContact O-CD2 3.43Å; N326-F328 PolarHBondContact O-N 3.25Å; F328-F330 HydrophobicContact CB-CE2 4.24Å; F328-R351 HydrophobicContact CB-CG 4.17Å; F328-R351 HydrophobicContact CD1-CG 4.34Å; F328-D353 HydrophobicContact CD1-CB 4.28Å; F328-D353 HydrophobicContact CE1-CB 4.1Å; F328-R355 VanDerWaalsContact CZ-NH2 3.27Å |
| 329 | V | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.9 | 176.8 | 168.3 | 0 | 0 | 0 | 0 | 109.7 | F285 L322 A323 L331 R351 Y352 L590 | F285-V329 HydrophobicContact CD1-CG1 4.38Å; F285-V329 HydrophobicContact CE1-CB 4.49Å; F285-V329 HydrophobicContact CE1-CG1 4.21Å; F285-V329 HydrophobicContact CE2-CG2 4.01Å; F285-V329 HydrophobicContact CZ-CB 4.28Å; F285-V329 HydrophobicContact CZ-CG1 4.31Å; F285-V329 HydrophobicContact CZ-CG2 3.89Å; L322-V329 HydrophobicContact CD1-CG1 3.56Å; L322-V329 HydrophobicContact CD2-CG1 4.1Å; L322-V329 HydrophobicContact CG-CG1 3.65Å; A323-V329 CarbonylContact O-C 3.53Å; A323-V329 WeakPolarHBondContact O-CA 3.19Å; V329-L331 HydrophobicContact CG1-CD2 4.32Å; V329-L331 HydrophobicContact CG1-CG 4.44Å; V329-R351 CarbonylContact O-C 3.56Å; V329-R351 VanDerWaalsContact O-CA 3.24Å; V329-R351 WeakPolarHBondContact O-CA 3.35Å; V329-Y352 PolarHBondContact N-O 2.84Å; V329-Y352 PolarHBondContact O-N 3Å; V329-L590 HydrophobicContact CG2-CD1 3.63Å; V329-L590 HydrophobicContact CG2-CD2 3.79Å; V329-L590 HydrophobicContact CG2-CG 4.22Å |
| 330 | F | 93.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.2 | 170.2 | -68.7 | -103 | 0 | 0 | 0 | 108.6 | P266 L322 A323 V325 F328 L332 V349 F350 R351 M362 Y399 | P266-F330 HydrophobicContact CB-CE2 4.48Å; P266-F330 HydrophobicContact CG-CE2 4.24Å; P266-F330 HydrophobicContact CG-CZ 4.08Å; L322-F330 WeakPolarHBondContact CA-O 3.21Å; A323-F330 HydrophobicContact CB-CB 4.18Å; A323-F330 PolarHBondContact N-O 2.91Å; A323-F330 PolarHBondContact O-N 2.99Å; V325-F330 HydrophobicContact CB-CE2 4.07Å; V325-F330 HydrophobicContact CG2-CD2 4.06Å; V325-F330 HydrophobicContact CG2-CE2 3.86Å; F328-F330 HydrophobicContact CB-CE2 4.24Å; F330-L332 HydrophobicContact CB-CD1 3.96Å; F330-L332 HydrophobicContact CB-CG 4.49Å; F330-L332 VanDerWaalsContact O-CD1 3.32Å; F330-L332 WeakPolarHBondContact O-CD1 3.45Å; F330-V349 HydrophobicContact CD1-CG1 4.37Å; F330-F350 CarbonylContact C-O 3.56Å; F330-F350 WeakPolarHBondContact CA-O 3.38Å; F330-R351 HydrophobicContact CD1-CB 4.12Å; F330-R351 HydrophobicContact CD1-CG 4.25Å; F330-R351 HydrophobicContact CD2-CG 4.32Å; F330-R351 HydrophobicContact CE1-CB 4.01Å; F330-R351 HydrophobicContact CE1-CG 3.93Å; F330-R351 HydrophobicContact CE2-CG 4Å; F330-R351 HydrophobicContact CG-CG 4.44Å; F330-R351 HydrophobicContact CZ-CB 4.4Å; F330-R351 HydrophobicContact CZ-CG 3.81Å; F330-M362 HydrophobicContact CE1-CE 4.46Å; F330-M362 HydrophobicContact CE1-CG 4.35Å; F330-Y399 AromaticContact CE1-CE1 3.95Å; F330-Y399 HydrophobicContact CE1-CE1 3.95Å |
| 331 | L | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.3 | 167.3 | -66.6 | -177.1 | 0 | 0 | 0 | 108.6 | P319 L322 V329 V349 F350 W359 | P319-L331 HydrophobicContact CB-CB 4.43Å; P319-L331 HydrophobicContact CB-CD1 4.42Å; P319-L331 HydrophobicContact CB-CD2 4.1Å; P319-L331 HydrophobicContact CG-CD1 4.05Å; P319-L331 HydrophobicContact CG-CD2 4.26Å; L322-L331 HydrophobicContact CB-CD2 4.27Å; L322-L331 HydrophobicContact CD1-CD2 4.01Å; L322-L331 HydrophobicContact CG-CD2 4.18Å; V329-L331 HydrophobicContact CG1-CD2 4.32Å; V329-L331 HydrophobicContact CG1-CG 4.44Å; L331-V349 CarbonylContact O-C 3.56Å; L331-V349 WeakPolarHBondContact O-CA 3.41Å; L331-F350 PolarHBondContact N-O 3.45Å; L331-F350 PolarHBondContact O-N 3.07Å; L331-W359 HydrophobicContact CB-CZ3 4.22Å; L331-W359 HydrophobicContact CD1-CH2 3.12Å; L331-W359 HydrophobicContact CD1-CZ2 3.95Å; L331-W359 HydrophobicContact CD1-CZ3 3.47Å; L331-W359 VanDerWaalsContact CD1-CZ3 3.47Å; L331-W359 HydrophobicContact CG-CH2 3.54Å; L331-W359 HydrophobicContact CG-CZ3 3.62Å |
| 332 | L | 92.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.9 | -171.1 | -53.4 | 96.7 | 0 | 0 | 0 | 109.4 | C321 A323 F330 G334 V349 F372 V374 V381 W406 | C321-L332 PolarHBondContact O-N 3.48Å; A323-L332 HydrophobicContact CB-CD1 4.05Å; F330-L332 HydrophobicContact CB-CD1 3.96Å; F330-L332 HydrophobicContact CB-CG 4.49Å; F330-L332 VanDerWaalsContact O-CD1 3.32Å; F330-L332 WeakPolarHBondContact O-CD1 3.45Å; L332-G334 PolarHBondContact O-N 2.77Å; L332-V349 HydrophobicContact CD2-CG1 4.44Å; L332-V349 HydrophobicContact CG-CG1 4.26Å; L332-F372 HydrophobicContact CB-CE2 4.31Å; L332-F372 HydrophobicContact CB-CZ 3.88Å; L332-F372 VanDerWaalsContact O-CZ 3.28Å; L332-F372 WeakPolarHBondContact O-CZ 3.2Å; L332-V374 HydrophobicContact CD1-CG1 4.13Å; L332-V374 HydrophobicContact CD1-CG2 4.29Å; L332-V381 HydrophobicContact CD2-CG1 3.84Å; L332-W406 HydrophobicContact CD2-CH2 3.61Å; L332-W406 HydrophobicContact CD2-CZ2 3.76Å |
| 333 | G | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 51.7 | -134.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S346 K348 | G333-S346 WeakPolarHBondContact CA-O 3.48Å; G333-K348 PolarHBondContact N-O 3.43Å | ||
| 334 | G | 89.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | 89.9 | -146.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R318 L332 A345 S346 R369 | R318-G334 CarbonylContact O-C 3.49Å; R318-G334 VanDerWaalsContact O-CA 3.27Å; R318-G334 WeakPolarHBondContact O-CA 3.5Å; L332-G334 PolarHBondContact O-N 2.77Å; G334-A345 CarbonylContact O-C 3.58Å; G334-A345 VanDerWaalsContact O-CA 3.31Å; G334-A345 WeakPolarHBondContact O-CA 3.41Å; G334-S346 PolarHBondContact O-N 3.13Å; G334-R369 PolarHBondContact N-O 3.48Å | ||
| 335 | E | 87.5 | Confident | 89.1 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.8 | -179.8 | -58.1 | 179.3 | 141.5 | 0 | 0 | 111.7 | R318 F343 H344 | R318-E335 HydrophobicContact CB-CB 4.3Å; R318-E335 WeakPolarHBondContact CB-O 3.48Å; R318-E335 WeakPolarHBondContact CD-OE2 3.39Å; R318-E335 IonicContact CZ-OE2 3.98Å; R318-E335 PolarHBondContact N-O 3.21Å; R318-E335 IonicContact NE-OE2 3.71Å; R318-E335 IonicContact NH1-OE2 2.93Å; R318-E335 PolarHBondContact NH1-OE2 2.94Å; R318-E335 PolarHBondContact O-N 3.47Å; E335-F343 HydrophobicContact CB-CB 4.15Å; E335-F343 HydrophobicContact CB-CD1 4.15Å; E335-H344 CarbonylContact C-O 3.19Å; E335-H344 VanDerWaalsContact CA-O 3.25Å; E335-H344 WeakPolarHBondContact CA-O 3.22Å |
| 336 | E | 85.9 | Confident | 89 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.3 | 170.3 | 64 | -175 | -136.3 | 0 | 0 | 111 | P316 L317 G338 F343 H344 S346 K348 | P316-E336 WeakPolarHBondContact O-CB 3.36Å; L317-E336 HydrophobicContact CD2-CB 4.16Å; E336-G338 PolarHBondContact O-N 2.75Å; E336-F343 WeakPolarHBondContact O-CA 3.37Å; E336-H344 PolarHBondContact N-O 3.01Å; E336-H344 PolarHBondContact O-N 2.65Å; E336-S346 PolarHBondContact OE2-OG 2.81Å; E336-K348 IonicContact OE1-NZ 3.02Å; E336-K348 PolarHBondContact OE1-NZ 2.92Å; E336-K348 WeakPolarHBondContact OE2-CD 3.15Å; E336-K348 VanDerWaalsContact OE2-CE 3.28Å; E336-K348 WeakPolarHBondContact OE2-CE 3.43Å; E336-K348 IonicContact OE2-NZ 3.64Å; E336-K348 PolarHBondContact OE2-NZ 2.77Å |
| 337 | L | 83.4 | Confident | 89.1 | Confident | 111 Ų | 111 | 38.4 Ų | 38.4 | 58% | 0.581 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 115.6 | 176.3 | -170.4 | 68.7 | 0 | 0 | 0 | 109.1 | G341 F343 | L337-G341 VanDerWaalsContact CD1-O 3.31Å; L337-G341 WeakPolarHBondContact CD1-O 3.43Å; L337-F343 HydrophobicContact CB-CD1 4.46Å; L337-F343 HydrophobicContact CB-CE1 4.17Å; L337-F343 HydrophobicContact CD1-CD1 4.46Å; L337-F343 HydrophobicContact CD1-CD2 4.43Å; L337-F343 HydrophobicContact CD1-CE1 4.24Å; L337-F343 HydrophobicContact CD1-CE2 4.22Å; L337-F343 HydrophobicContact CD1-CZ 4.13Å |
| 338 | G | 82.7 | Confident | 89.1 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | trans | -76.4 | 168.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | E336 D340 G341 E342 | E336-G338 PolarHBondContact O-N 2.75Å; G338-D340 PolarHBondContact O-N 2.86Å; G338-G341 PolarHBondContact O-N 2.75Å; G338-E342 PolarHBondContact N-O 3.14Å | ||
| 339 | P | 82.8 | Confident | 89.1 | Confident | 149 Ų | 149 | 38.9 Ų | 38.9 | 97% | 0.968 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.6 | 175.4 | -20.7 | 32.9 | 0 | 0 | 0 | 114.1 | ||
| 340 | D | 86.8 | Confident | 89.1 | Confident | 94 Ų | 94 | 39.9 Ų | 39.9 | 50% | 0.503 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -5 | 174.9 | 58.5 | -10.8 | 0 | 0 | 0 | 113.2 | G338 E342 H344 | G338-D340 PolarHBondContact O-N 2.86Å; D340-E342 VanDerWaalsContact C-N 3.27Å; D340-E342 PolarHBondContact OD1-N 2.83Å; D340-H344 VanDerWaalsContact CG-NE2 3.32Å; D340-H344 IonicContact OD1-CD2 3.69Å; D340-H344 IonicContact OD1-NE2 2.74Å; D340-H344 PolarHBondContact OD1-NE2 3.04Å; D340-H344 IonicContact OD2-CE1 3.23Å; D340-H344 PolarHBondContact OD2-CE1 2.79Å; D340-H344 IonicContact OD2-NE2 3.1Å; D340-H344 PolarHBondContact OD2-NE2 2.85Å |
| 341 | G | 82.9 | Confident | 89.1 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 80.1 | 7.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L337 G338 | L337-G341 VanDerWaalsContact CD1-O 3.31Å; L337-G341 WeakPolarHBondContact CD1-O 3.43Å; G338-G341 PolarHBondContact O-N 2.75Å |
| 342 | E | 84.4 | Confident | 89.1 | Confident | 102 Ų | 102 | 40.2 Ų | 40.2 | 48% | 0.477 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -103.8 | 156.7 | 178.5 | -65.3 | -66.5 | 154.1 | 0 | 0 | 111.1 | G338 D340 H344 | G338-E342 PolarHBondContact N-O 3.14Å; D340-E342 VanDerWaalsContact C-N 3.27Å; D340-E342 PolarHBondContact OD1-N 2.83Å; E342-H344 PolarHBondContact O-CD2 2.79Å; E342-H344 VanDerWaalsContact O-CD2 3.28Å |
| 343 | F | 84.8 | Confident | 89.1 | Confident | 59 Ų | 59 | 40.7 Ų | 40.7 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.2 | 176.3 | -74.9 | -78.1 | 0 | 0 | 0 | 111 | E335 E336 L337 | E335-F343 HydrophobicContact CB-CB 4.15Å; E335-F343 HydrophobicContact CB-CD1 4.15Å; E336-F343 WeakPolarHBondContact O-CA 3.37Å; L337-F343 HydrophobicContact CB-CD1 4.46Å; L337-F343 HydrophobicContact CB-CE1 4.17Å; L337-F343 HydrophobicContact CD1-CD1 4.46Å; L337-F343 HydrophobicContact CD1-CD2 4.43Å; L337-F343 HydrophobicContact CD1-CE1 4.24Å; L337-F343 HydrophobicContact CD1-CE2 4.22Å; L337-F343 HydrophobicContact CD1-CZ 4.13Å |
| 344 | H | 89.6 | Confident | 89.1 | Confident | 66 Ų | 66 | 40.8 Ų | 40.8 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.6 | 179.2 | -64.4 | -85.9 | 0 | 0 | 0 | 110.7 | E335 E336 D340 E342 S346 | E335-H344 CarbonylContact C-O 3.19Å; E335-H344 VanDerWaalsContact CA-O 3.25Å; E335-H344 WeakPolarHBondContact CA-O 3.22Å; E336-H344 PolarHBondContact N-O 3.01Å; E336-H344 PolarHBondContact O-N 2.65Å; D340-H344 VanDerWaalsContact CG-NE2 3.32Å; D340-H344 IonicContact OD1-CD2 3.69Å; D340-H344 IonicContact OD1-NE2 2.74Å; D340-H344 PolarHBondContact OD1-NE2 3.04Å; D340-H344 IonicContact OD2-CE1 3.23Å; D340-H344 PolarHBondContact OD2-CE1 2.79Å; D340-H344 IonicContact OD2-NE2 3.1Å; D340-H344 PolarHBondContact OD2-NE2 2.85Å; E342-H344 PolarHBondContact O-CD2 2.79Å; E342-H344 VanDerWaalsContact O-CD2 3.28Å; H344-S346 PolarHBondContact O-N 2.91Å |
| 345 | A | 92.8 | Very high | 89 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 138.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G334 P368 T388 | G334-A345 CarbonylContact O-C 3.58Å; G334-A345 VanDerWaalsContact O-CA 3.31Å; G334-A345 WeakPolarHBondContact O-CA 3.41Å; A345-P368 HydrophobicContact CB-CB 4.28Å; A345-P368 WeakPolarHBondContact O-CB 3.36Å; A345-T388 HydrophobicContact CB-CG2 3.82Å |
| 346 | S | 92.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | -111.6 | 146.3 | -176.3 | -166.5 | 0 | 0 | 0 | 0 | 111.2 | L317 G333 G334 E336 H344 K348 R369 | L317-S346 WeakPolarHBondContact CD2-OG 3.49Å; G333-S346 WeakPolarHBondContact CA-O 3.48Å; G334-S346 PolarHBondContact O-N 3.13Å; E336-S346 PolarHBondContact OE2-OG 2.81Å; H344-S346 PolarHBondContact O-N 2.91Å; S346-K348 VanDerWaalsContact OG-CG 3.28Å; S346-K348 WeakPolarHBondContact OG-CG 3.42Å; S346-K348 PolarHBondContact OG-N 3.43Å; S346-R369 PolarHBondContact O-N 2.96Å; S346-R369 VanDerWaalsContact O-N 3.07Å | ||
| 347 | S | 94 | Very high | 89 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | trans | -95.2 | -3.8 | 169.3 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | D364 M365 | S347-D364 CarbonylContact O-C 3.53Å; S347-D364 WeakPolarHBondContact O-CA 3.13Å; S347-M365 VanDerWaalsContact CB-O 3.25Å; S347-M365 WeakPolarHBondContact CB-O 3.47Å; S347-M365 PolarHBondContact O-N 3.48Å | ||
| 348 | K | 93.9 | Very high | 89.3 | Confident | 48 Ų | 48 | 42 Ų | 42 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | trans | -70.7 | 144.5 | -168.6 | -56.1 | -178 | 179.2 | 145.2 | 0 | 111.9 | L317 G333 E336 S346 F350 R361 D364 | L317-K348 HydrophobicContact CD1-CB 4.34Å; L317-K348 HydrophobicContact CD2-CB 4.44Å; G333-K348 PolarHBondContact N-O 3.43Å; E336-K348 IonicContact OE1-NZ 3.02Å; E336-K348 PolarHBondContact OE1-NZ 2.92Å; E336-K348 WeakPolarHBondContact OE2-CD 3.15Å; E336-K348 VanDerWaalsContact OE2-CE 3.28Å; E336-K348 WeakPolarHBondContact OE2-CE 3.43Å; E336-K348 IonicContact OE2-NZ 3.64Å; E336-K348 PolarHBondContact OE2-NZ 2.77Å; S346-K348 VanDerWaalsContact OG-CG 3.28Å; S346-K348 WeakPolarHBondContact OG-CG 3.42Å; S346-K348 PolarHBondContact OG-N 3.43Å; K348-F350 HydrophobicContact CB-CD2 4.42Å; K348-F350 HydrophobicContact CB-CE2 3.69Å; K348-F350 HydrophobicContact CB-CZ 4.43Å; K348-F350 HydrophobicContact CD-CE2 4.41Å; K348-R361 VanDerWaalsContact CG-NH2 3.28Å; K348-D364 WeakPolarHBondContact CA-OD1 3.13Å | ||
| 349 | V | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.3 | 179.6 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | F330 L331 L332 R361 M362 A363 M365 W406 | F330-V349 HydrophobicContact CD1-CG1 4.37Å; L331-V349 CarbonylContact O-C 3.56Å; L331-V349 WeakPolarHBondContact O-CA 3.41Å; L332-V349 HydrophobicContact CD2-CG1 4.44Å; L332-V349 HydrophobicContact CG-CG1 4.26Å; V349-R361 VanDerWaalsContact O-CD 3.23Å; V349-R361 WeakPolarHBondContact O-CD 3.39Å; V349-M362 HydrophobicContact CB-CB 4.07Å; V349-M362 HydrophobicContact CG1-CB 3.91Å; V349-M362 HydrophobicContact CG1-CG 4.16Å; V349-M362 PolarHBondContact O-N 3.07Å; V349-A363 WeakPolarHBondContact CG2-O 3.09Å; V349-M365 HydrophobicContact CG2-CG 4.19Å; V349-W406 HydrophobicContact CG2-CZ2 3.79Å |
| 350 | F | 92.9 | Very high | 90.1 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.2 | 179.5 | -64.6 | -95.5 | 0 | 0 | 0 | 110.7 | V315 L317 F330 L331 K348 W359 L360 R361 | V315-F350 HydrophobicContact CG1-CD1 3.99Å; V315-F350 HydrophobicContact CG1-CD2 3.5Å; V315-F350 HydrophobicContact CG1-CE1 3.94Å; V315-F350 HydrophobicContact CG1-CE2 3.45Å; V315-F350 VanDerWaalsContact CG1-CE2 3.45Å; V315-F350 HydrophobicContact CG1-CG 3.77Å; V315-F350 HydrophobicContact CG1-CZ 3.68Å; V315-F350 HydrophobicContact CG2-CD1 4.18Å; V315-F350 HydrophobicContact CG2-CE1 4.5Å; V315-F350 HydrophobicContact CG2-CG 4.38Å; L317-F350 HydrophobicContact CD1-CD2 3.46Å; L317-F350 VanDerWaalsContact CD1-CD2 3.46Å; L317-F350 HydrophobicContact CD1-CE2 3.46Å; L317-F350 VanDerWaalsContact CD1-CE2 3.46Å; L317-F350 HydrophobicContact CG-CD2 4.41Å; L317-F350 HydrophobicContact CG-CE2 4Å; F330-F350 CarbonylContact C-O 3.56Å; F330-F350 WeakPolarHBondContact CA-O 3.38Å; L331-F350 PolarHBondContact N-O 3.45Å; L331-F350 PolarHBondContact O-N 3.07Å; K348-F350 HydrophobicContact CB-CD2 4.42Å; K348-F350 HydrophobicContact CB-CE2 3.69Å; K348-F350 HydrophobicContact CB-CZ 4.43Å; K348-F350 HydrophobicContact CD-CE2 4.41Å; F350-W359 HydrophobicContact CB-CE3 3.69Å; F350-W359 HydrophobicContact CB-CZ3 4.1Å; F350-L360 CarbonylContact C-O 3.6Å; F350-L360 WeakPolarHBondContact CA-O 3.5Å; F350-R361 HydrophobicContact CD1-CB 4.43Å; F350-R361 HydrophobicContact CE1-CB 4.3Å |
| 351 | R | 93.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.2 | 174.3 | -172.1 | -172.6 | 74 | 175.3 | 5.9 | 110.6 | V262 F328 V329 F330 W359 L360 M362 | V262-R351 PolarHBondContact O-NH1 2.94Å; V262-R351 PolarHBondContact O-NH2 2.92Å; F328-R351 HydrophobicContact CB-CG 4.17Å; F328-R351 HydrophobicContact CD1-CG 4.34Å; V329-R351 CarbonylContact O-C 3.56Å; V329-R351 VanDerWaalsContact O-CA 3.24Å; V329-R351 WeakPolarHBondContact O-CA 3.35Å; F330-R351 HydrophobicContact CD1-CB 4.12Å; F330-R351 HydrophobicContact CD1-CG 4.25Å; F330-R351 HydrophobicContact CD2-CG 4.32Å; F330-R351 HydrophobicContact CE1-CB 4.01Å; F330-R351 HydrophobicContact CE1-CG 3.93Å; F330-R351 HydrophobicContact CE2-CG 4Å; F330-R351 HydrophobicContact CG-CG 4.44Å; F330-R351 HydrophobicContact CZ-CB 4.4Å; F330-R351 HydrophobicContact CZ-CG 3.81Å; R351-W359 CarbonylContact O-C 3.43Å; R351-W359 WeakPolarHBondContact O-CA 3.49Å; R351-L360 PolarHBondContact N-O 3.48Å; R351-L360 PolarHBondContact O-N 3.39Å; R351-M362 HydrophobicContact CB-CG 3.89Å; R351-M362 HydrophobicContact CB-SD 3.68Å |
| 352 | Y | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.8 | 173 | 179.5 | -109.9 | 0 | 0 | 0 | 111.7 | F285 I298 L310 V329 P354 N357 T358 W359 F592 | F285-Y352 AromaticContact CE1-CD1 3.89Å; F285-Y352 HydrophobicContact CE1-CD1 3.89Å; F285-Y352 HydrophobicContact CE1-CE1 4.27Å; F285-Y352 HydrophobicContact CE1-CG 4.2Å; F285-Y352 AromaticContact CZ-CD1 3.81Å; F285-Y352 HydrophobicContact CZ-CD1 3.81Å; F285-Y352 HydrophobicContact CZ-CE1 4.03Å; I298-Y352 HydrophobicContact CD1-CE1 4.02Å; I298-Y352 HydrophobicContact CD1-CE2 3.86Å; L310-Y352 VanDerWaalsContact CD2-OH 3.31Å; L310-Y352 WeakPolarHBondContact CD2-OH 3.18Å; V329-Y352 PolarHBondContact N-O 2.84Å; V329-Y352 PolarHBondContact O-N 3Å; Y352-P354 HydrophobicContact CE1-CB 3.93Å; Y352-N357 VanDerWaalsContact CE2-OD1 3.28Å; Y352-N357 WeakPolarHBondContact CE2-OD1 3.2Å; Y352-N357 PolarHBondContact OH-OD1 3.29Å; Y352-T358 WeakPolarHBondContact CA-O 3.07Å; Y352-T358 WeakPolarHBondContact CD2-O 3.22Å; Y352-W359 VanDerWaalsContact CB-CZ3 3.44Å; Y352-W359 AromaticContact CD2-CD2 3.93Å; Y352-W359 HydrophobicContact CD2-CD2 3.93Å; Y352-W359 AromaticContact CD2-CE2 3.58Å; Y352-W359 HydrophobicContact CD2-CG 4.24Å; Y352-W359 HydrophobicContact CD2-CH2 4.46Å; Y352-W359 AromaticContact CD2-CZ2 3.88Å; Y352-W359 HydrophobicContact CD2-CZ2 3.88Å; Y352-W359 AromaticContact CD2-NE1 3.69Å; Y352-W359 HydrophobicContact CG-CD2 4.38Å; Y352-W359 HydrophobicContact CG-CH2 4.19Å; Y352-W359 HydrophobicContact CG-CZ2 4.02Å; Y352-W359 HydrophobicContact CG-CZ3 4.48Å; Y352-F592 HydrophobicContact CE1-CE1 4.01Å; Y352-F592 HydrophobicContact CE1-CZ 4.44Å |
| 353 | D | 92.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 108.9 | 174.3 | -172.1 | -14.8 | 0 | 0 | 0 | 110.7 | F328 R355 Q356 N357 T358 | F328-D353 HydrophobicContact CD1-CB 4.28Å; F328-D353 HydrophobicContact CE1-CB 4.1Å; D353-R355 VanDerWaalsContact CG-NE 3.34Å; D353-R355 PolarHBondContact O-N 2.62Å; D353-R355 WeakPolarHBondContact OD1-CB 3.5Å; D353-R355 VanDerWaalsContact OD1-CG 3.25Å; D353-R355 WeakPolarHBondContact OD1-CG 3.18Å; D353-R355 IonicContact OD1-CZ 2.66Å; D353-R355 PolarHBondContact OD1-N 2.66Å; D353-R355 IonicContact OD1-NE 2.77Å; D353-R355 PolarHBondContact OD1-NE 3.03Å; D353-R355 IonicContact OD1-NH2 3.16Å; D353-R355 IonicContact OD2-CZ 3.53Å; D353-R355 VanDerWaalsContact OD2-CZ 3.23Å; D353-R355 IonicContact OD2-NE 2.65Å; D353-R355 PolarHBondContact OD2-NE 2.81Å; D353-R355 VanDerWaalsContact OD2-NE 3.12Å; D353-R355 IonicContact OD2-NH2 2.71Å; D353-R355 PolarHBondContact OD2-NH2 2.91Å; D353-Q356 PolarHBondContact O-N 3.18Å; D353-N357 WeakPolarHBondContact O-CA 3.39Å; D353-N357 PolarHBondContact O-N 2.75Å; D353-T358 PolarHBondContact N-O 3.03Å; D353-T358 PolarHBondContact O-N 3.43Å |
| 354 | P | 91.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -11.6 | -179.3 | 28.8 | -34.7 | 0 | 0 | 0 | 113.6 | I275 N327 Y352 Q356 F592 P593 | I275-P354 HydrophobicContact CD1-CG 4.03Å; N327-P354 WeakPolarHBondContact ND2-CG 3.32Å; N327-P354 VanDerWaalsContact O-CD 3.28Å; N327-P354 WeakPolarHBondContact O-CD 3.39Å; N327-P354 WeakPolarHBondContact O-CG 3.24Å; Y352-P354 HydrophobicContact CE1-CB 3.93Å; P354-Q356 VanDerWaalsContact C-N 3.34Å; P354-F592 HydrophobicContact CB-CD1 3.62Å; P354-F592 HydrophobicContact CB-CE1 3.57Å; P354-F592 HydrophobicContact CB-CG 4.35Å; P354-F592 HydrophobicContact CB-CZ 4.27Å; P354-P593 WeakPolarHBondContact O-CD 3.28Å |
| 355 | R | 88.2 | Confident | 92.6 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -31.3 | 180 | -59.4 | 171.6 | -67.3 | 165.6 | 4.8 | 112.5 | L226 Y258 I275 F328 D353 V596 | L226-R355 VanDerWaalsContact CD2-CD 3.5Å; L226-R355 HydrophobicContact CD2-CG 4.21Å; Y258-R355 VanDerWaalsContact CE1-NH1 3.3Å; Y258-R355 PolarHBondContact OH-NH1 3.19Å; I275-R355 HydrophobicContact CD1-CG 3.35Å; I275-R355 HydrophobicContact CG1-CG 3.67Å; F328-R355 VanDerWaalsContact CZ-NH2 3.27Å; D353-R355 VanDerWaalsContact CG-NE 3.34Å; D353-R355 PolarHBondContact O-N 2.62Å; D353-R355 WeakPolarHBondContact OD1-CB 3.5Å; D353-R355 VanDerWaalsContact OD1-CG 3.25Å; D353-R355 WeakPolarHBondContact OD1-CG 3.18Å; D353-R355 IonicContact OD1-CZ 2.66Å; D353-R355 PolarHBondContact OD1-N 2.66Å; D353-R355 IonicContact OD1-NE 2.77Å; D353-R355 PolarHBondContact OD1-NE 3.03Å; D353-R355 IonicContact OD1-NH2 3.16Å; D353-R355 IonicContact OD2-CZ 3.53Å; D353-R355 VanDerWaalsContact OD2-CZ 3.23Å; D353-R355 IonicContact OD2-NE 2.65Å; D353-R355 PolarHBondContact OD2-NE 2.81Å; D353-R355 VanDerWaalsContact OD2-NE 3.12Å; D353-R355 IonicContact OD2-NH2 2.71Å; D353-R355 PolarHBondContact OD2-NH2 2.91Å; R355-V596 WeakPolarHBondContact O-CG2 3.17Å |
| 356 | Q | 84.6 | Confident | 92.7 | Very high | 102 Ų | 102 | 33.8 Ų | 33.8 | 48% | 0.477 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -4.5 | -175.8 | -63.5 | -172.2 | -28.5 | 0 | 0 | 112.5 | D353 P354 T358 | D353-Q356 PolarHBondContact O-N 3.18Å; P354-Q356 VanDerWaalsContact C-N 3.34Å; Q356-T358 VanDerWaalsContact C-N 3.33Å; Q356-T358 HydrophobicContact CB-CG2 4.03Å; Q356-T358 PolarHBondContact O-N 3.22Å |
| 357 | N | 88.5 | Confident | 92.7 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 46.5 | -172.9 | -172.8 | 32.9 | 0 | 0 | 0 | 112.2 | L310 E311 P313 Y352 D353 V596 | L310-N357 WeakPolarHBondContact CD2-OD1 3.28Å; E311-N357 PolarHBondContact O-ND2 3.4Å; P313-N357 VanDerWaalsContact CD-O 3.27Å; P313-N357 WeakPolarHBondContact CD-O 2.96Å; Y352-N357 VanDerWaalsContact CE2-OD1 3.28Å; Y352-N357 WeakPolarHBondContact CE2-OD1 3.2Å; Y352-N357 PolarHBondContact OH-OD1 3.29Å; D353-N357 WeakPolarHBondContact O-CA 3.39Å; D353-N357 PolarHBondContact O-N 2.75Å; N357-V596 HydrophobicContact CB-CG1 3.94Å |
| 358 | T | 88.9 | Confident | 92.7 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 34% | 0.344 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 151.6 | -176.3 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | Y352 D353 Q356 | Y352-T358 WeakPolarHBondContact CA-O 3.07Å; Y352-T358 WeakPolarHBondContact CD2-O 3.22Å; D353-T358 PolarHBondContact N-O 3.03Å; D353-T358 PolarHBondContact O-N 3.43Å; Q356-T358 VanDerWaalsContact C-N 3.33Å; Q356-T358 HydrophobicContact CB-CG2 4.03Å; Q356-T358 PolarHBondContact O-N 3.22Å |
| 359 | W | 90.3 | Very high | 92.7 | Very high | 42 Ų | 42 | 33.5 Ų | 33.5 | 16% | 0.159 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141 | 172 | -69.1 | 94.3 | 0 | 0 | 0 | 110.3 | F285 P313 V315 L331 F350 R351 Y352 | F285-W359 HydrophobicContact CD1-CH2 4.01Å; F285-W359 HydrophobicContact CD1-CZ2 4.06Å; F285-W359 AromaticContact CE1-CH2 3.99Å; F285-W359 HydrophobicContact CE1-CH2 3.99Å; F285-W359 AromaticContact CE1-CZ2 3.95Å; F285-W359 HydrophobicContact CE1-CZ2 3.95Å; P313-W359 VanDerWaalsContact O-CD1 3.26Å; P313-W359 PolarHBondContact O-NE1 3.36Å; V315-W359 HydrophobicContact CG2-CB 4.28Å; V315-W359 HydrophobicContact CG2-CD2 3.9Å; V315-W359 HydrophobicContact CG2-CE3 4.4Å; V315-W359 HydrophobicContact CG2-CG 3.83Å; L331-W359 HydrophobicContact CB-CZ3 4.22Å; L331-W359 HydrophobicContact CD1-CH2 3.12Å; L331-W359 HydrophobicContact CD1-CZ2 3.95Å; L331-W359 HydrophobicContact CD1-CZ3 3.47Å; L331-W359 VanDerWaalsContact CD1-CZ3 3.47Å; L331-W359 HydrophobicContact CG-CH2 3.54Å; L331-W359 HydrophobicContact CG-CZ3 3.62Å; F350-W359 HydrophobicContact CB-CE3 3.69Å; F350-W359 HydrophobicContact CB-CZ3 4.1Å; R351-W359 CarbonylContact O-C 3.43Å; R351-W359 WeakPolarHBondContact O-CA 3.49Å; Y352-W359 VanDerWaalsContact CB-CZ3 3.44Å; Y352-W359 AromaticContact CD2-CD2 3.93Å; Y352-W359 HydrophobicContact CD2-CD2 3.93Å; Y352-W359 AromaticContact CD2-CE2 3.58Å; Y352-W359 HydrophobicContact CD2-CG 4.24Å; Y352-W359 HydrophobicContact CD2-CH2 4.46Å; Y352-W359 AromaticContact CD2-CZ2 3.88Å; Y352-W359 HydrophobicContact CD2-CZ2 3.88Å; Y352-W359 AromaticContact CD2-NE1 3.69Å; Y352-W359 HydrophobicContact CG-CD2 4.38Å; Y352-W359 HydrophobicContact CG-CH2 4.19Å; Y352-W359 HydrophobicContact CG-CZ2 4.02Å; Y352-W359 HydrophobicContact CG-CZ3 4.48Å |
| 360 | L | 92.6 | Very high | 92.6 | Very high | 61 Ų | 61 | 33.6 Ų | 33.6 | 32% | 0.319 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.5 | 173.2 | -177.9 | 65.3 | 0 | 0 | 0 | 109.1 | V262 F350 R351 M362 | V262-L360 HydrophobicContact CG1-CD2 3.46Å; V262-L360 VanDerWaalsContact CG1-CD2 3.46Å; F350-L360 CarbonylContact C-O 3.6Å; F350-L360 WeakPolarHBondContact CA-O 3.5Å; R351-L360 PolarHBondContact N-O 3.48Å; R351-L360 PolarHBondContact O-N 3.39Å; L360-M362 HydrophobicContact CB-SD 4.28Å; L360-M362 HydrophobicContact CD2-SD 3.79Å; L360-M362 HydrophobicContact CG-SD 3.86Å |
| 361 | R | 93.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 33.8 Ų | 33.8 | 39% | 0.392 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.7 | 172.3 | 179.8 | 53.1 | 171 | -77 | -12.2 | 109.1 | K348 V349 F350 D364 | K348-R361 VanDerWaalsContact CG-NH2 3.28Å; V349-R361 VanDerWaalsContact O-CD 3.23Å; V349-R361 WeakPolarHBondContact O-CD 3.39Å; F350-R361 HydrophobicContact CD1-CB 4.43Å; F350-R361 HydrophobicContact CE1-CB 4.3Å; R361-D364 IonicContact CZ-OD1 2.85Å; R361-D364 IonicContact CZ-OD2 3.66Å; R361-D364 IonicContact NE-OD1 2.71Å; R361-D364 PolarHBondContact NE-OD1 2.95Å; R361-D364 IonicContact NH2-OD1 2.76Å; R361-D364 PolarHBondContact NH2-OD1 3.18Å; R361-D364 IonicContact NH2-OD2 3.39Å; R361-D364 PolarHBondContact NH2-OD2 3.16Å |
| 362 | M | 95.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 175.9 | 177.6 | -46.4 | -55 | -62.2 | 0 | 0 | 110.1 | H263 F330 V349 R351 L360 Y399 | H263-M362 WeakPolarHBondContact ND1-CE 3.46Å; F330-M362 HydrophobicContact CE1-CE 4.46Å; F330-M362 HydrophobicContact CE1-CG 4.35Å; V349-M362 HydrophobicContact CB-CB 4.07Å; V349-M362 HydrophobicContact CG1-CB 3.91Å; V349-M362 HydrophobicContact CG1-CG 4.16Å; V349-M362 PolarHBondContact O-N 3.07Å; R351-M362 HydrophobicContact CB-CG 3.89Å; R351-M362 HydrophobicContact CB-SD 3.68Å; L360-M362 HydrophobicContact CB-SD 4.28Å; L360-M362 HydrophobicContact CD2-SD 3.79Å; L360-M362 HydrophobicContact CG-SD 3.86Å; M362-Y399 WeakPolarHBondContact CE-OH 3.19Å |
| 363 | A | 97.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 138.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V349 Y399 D404 W406 | V349-A363 WeakPolarHBondContact CG2-O 3.09Å; A363-Y399 HydrophobicContact CB-CE2 4.33Å; A363-D404 WeakPolarHBondContact CB-O 3.3Å; A363-D404 WeakPolarHBondContact CB-OD1 3.37Å; A363-D404 PolarHBondContact N-OD1 3.05Å; A363-W406 PolarHBondContact O-NE1 2.93Å |
| 364 | D | 97.2 | Very high | 93 | Very high | 67 Ų | 67 | 34.1 Ų | 34.1 | 36% | 0.358 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -75.7 | 145.2 | -180 | -64.6 | -15.5 | 0 | 0 | 0 | 110.6 | S347 K348 R361 W406 | S347-D364 CarbonylContact O-C 3.53Å; S347-D364 WeakPolarHBondContact O-CA 3.13Å; K348-D364 WeakPolarHBondContact CA-OD1 3.13Å; R361-D364 IonicContact CZ-OD1 2.85Å; R361-D364 IonicContact CZ-OD2 3.66Å; R361-D364 IonicContact NE-OD1 2.71Å; R361-D364 PolarHBondContact NE-OD1 2.95Å; R361-D364 IonicContact NH2-OD1 2.76Å; R361-D364 PolarHBondContact NH2-OD1 3.18Å; R361-D364 IonicContact NH2-OD2 3.39Å; R361-D364 PolarHBondContact NH2-OD2 3.16Å; D364-W406 VanDerWaalsContact C-CD1 3.49Å |
| 365 | M | 96.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 153.6 | 169.8 | -67.3 | -179.6 | -64.3 | 0 | 0 | 110.5 | S347 V349 V367 R369 F372 A383 W406 | S347-M365 VanDerWaalsContact CB-O 3.25Å; S347-M365 WeakPolarHBondContact CB-O 3.47Å; S347-M365 PolarHBondContact O-N 3.48Å; V349-M365 HydrophobicContact CG2-CG 4.19Å; M365-V367 VanDerWaalsContact C-N 3.28Å; M365-V367 PolarHBondContact O-N 3.05Å; M365-R369 HydrophobicContact CE-CB 4.44Å; M365-F372 HydrophobicContact CE-CZ 4.04Å; M365-F372 HydrophobicContact SD-CE2 4.3Å; M365-F372 HydrophobicContact SD-CZ 4.27Å; M365-A383 HydrophobicContact SD-CB 3.93Å; M365-W406 HydrophobicContact CB-CD2 4.46Å; M365-W406 HydrophobicContact CG-CD2 3.84Å; M365-W406 VanDerWaalsContact CG-CE2 3.44Å; M365-W406 HydrophobicContact CG-CE3 4.16Å; M365-W406 HydrophobicContact CG-CH2 3.77Å; M365-W406 HydrophobicContact CG-CZ2 3.43Å; M365-W406 VanDerWaalsContact CG-CZ2 3.43Å; M365-W406 HydrophobicContact CG-CZ3 4.12Å; M365-W406 HydrophobicContact SD-CH2 4.02Å; M365-W406 HydrophobicContact SD-CZ2 4.16Å; M365-W406 HydrophobicContact SD-CZ3 4.48Å |
| 366 | S | 95.5 | Very high | 93.6 | Very high | 67 Ų | 67 | 35.1 Ų | 35.1 | 47% | 0.469 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -69.8 | -32 | 177.3 | -40.1 | 0 | 0 | 0 | 0 | 111.4 | E397 | S366-E397 WeakPolarHBondContact CA-OE2 3.41Å; S366-E397 WeakPolarHBondContact CB-OE2 3.35Å; S366-E397 PolarHBondContact N-OE2 2.86Å; S366-E397 PolarHBondContact OG-OE2 3.46Å |
| 367 | V | 93.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 16% | 0.158 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -116.2 | 129.6 | 178.3 | -175 | 0 | 0 | 0 | 0 | 109.7 | M365 R369 F393 E397 F408 | M365-V367 VanDerWaalsContact C-N 3.28Å; M365-V367 PolarHBondContact O-N 3.05Å; V367-R369 HydrophobicContact CB-CG 4.48Å; V367-R369 HydrophobicContact CG1-CG 4.28Å; V367-R369 WeakPolarHBondContact O-CG 3.47Å; V367-F393 HydrophobicContact CG1-CD2 4.23Å; V367-F393 HydrophobicContact CG1-CE2 4.22Å; V367-F393 HydrophobicContact CG1-CG 4.46Å; V367-F393 HydrophobicContact CG1-CZ 4.42Å; V367-E397 PolarHBondContact N-OE1 2.67Å; V367-F408 HydrophobicContact CG2-CE1 4.06Å; V367-F408 HydrophobicContact CG2-CZ 3.99Å |
| 368 | P | 93.6 | Very high | 94.5 | Very high | 50 Ų | 50 | 32.4 Ų | 32.4 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | trans | -68.5 | 133 | 170.1 | 27.3 | -32 | 0 | 0 | 0 | 110.7 | A345 T388 | A345-P368 HydrophobicContact CB-CB 4.28Å; A345-P368 WeakPolarHBondContact O-CB 3.36Å; P368-T388 HydrophobicContact CG-CG2 4.2Å; P368-T388 WeakPolarHBondContact O-CG2 3.31Å | ||
| 369 | R | 93.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -140.7 | 135.2 | -172 | -62.4 | 166 | -167.9 | -88.6 | 0.5 | 111.5 | G334 S346 M365 V367 F372 A385 S395 E397 | G334-R369 PolarHBondContact N-O 3.48Å; S346-R369 PolarHBondContact O-N 2.96Å; S346-R369 VanDerWaalsContact O-N 3.07Å; M365-R369 HydrophobicContact CE-CB 4.44Å; V367-R369 HydrophobicContact CB-CG 4.48Å; V367-R369 HydrophobicContact CG1-CG 4.28Å; V367-R369 WeakPolarHBondContact O-CG 3.47Å; R369-F372 HydrophobicContact CB-CB 4.41Å; R369-F372 HydrophobicContact CB-CD1 3.58Å; R369-F372 HydrophobicContact CB-CE1 3.9Å; R369-F372 HydrophobicContact CB-CG 4Å; R369-F372 VanDerWaalsContact O-CE1 3.32Å; R369-F372 WeakPolarHBondContact O-CE1 3.11Å; R369-A385 WeakPolarHBondContact CD-O 3.34Å; R369-A385 PolarHBondContact NH1-O 2.74Å; R369-S395 PolarHBondContact NH1-O 2.91Å; R369-S395 PolarHBondContact NH1-OG 2.93Å; R369-S395 VanDerWaalsContact NH1-OG 3.16Å; R369-S395 PolarHBondContact NH2-OG 3.39Å; R369-E397 IonicContact CZ-OE1 3.07Å; R369-E397 IonicContact NE-OE1 3.03Å; R369-E397 PolarHBondContact NE-OE1 3.01Å; R369-E397 IonicContact NH2-OE1 2.93Å; R369-E397 PolarHBondContact NH2-OE1 3.02Å | ||
| 370 | S | 92.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -118 | 161.5 | 159.3 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | D320 F372 G386 R387 | D320-S370 WeakPolarHBondContact OD2-CA 3.34Å; D320-S370 VanDerWaalsContact OD2-CB 3.28Å; D320-S370 WeakPolarHBondContact OD2-CB 3.36Å; S370-F372 VanDerWaalsContact C-N 3.29Å; S370-F372 PolarHBondContact O-N 3.19Å; S370-G386 WeakPolarHBondContact O-CA 3.37Å; S370-R387 PolarHBondContact N-O 2.98Å; S370-R387 PolarHBondContact O-N 3.02Å; S370-R387 PolarHBondContact OG-O 3.18Å |
| 371 | E | 92.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 31.9 Ų | 31.9 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 51.9 | 43.6 | 175.4 | -56.9 | 173.3 | -169.1 | 0 | 0 | 113.7 | D320 R387 Y417 G418 F480 | D320-E371 PolarHBondContact OD2-N 3.1Å; E371-R387 VanDerWaalsContact CD-NE 3.28Å; E371-R387 IonicContact OE1-CZ 3.19Å; E371-R387 IonicContact OE1-NE 2.62Å; E371-R387 PolarHBondContact OE1-NE 2.64Å; E371-R387 IonicContact OE1-NH2 2.74Å; E371-R387 PolarHBondContact OE1-NH2 3.12Å; E371-R387 IonicContact OE2-CZ 3.95Å; E371-R387 IonicContact OE2-NE 3.32Å; E371-R387 PolarHBondContact OE2-NE 2.73Å; E371-R387 IonicContact OE2-NH2 3.03Å; E371-Y417 CarbonylContact O-C 3.47Å; E371-Y417 WeakPolarHBondContact O-CA 3.44Å; E371-Y417 WeakPolarHBondContact OE2-CD2 3.48Å; E371-G418 PolarHBondContact O-N 3.4Å; E371-F480 HydrophobicContact CB-CE1 4.46Å; E371-F480 HydrophobicContact CG-CE1 4.04Å |
| 372 | F | 95.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | trans | -107.3 | -178.8 | 179.6 | 65.7 | -77.3 | 0 | 0 | 0 | 111.2 | C321 L332 M365 R369 S370 V374 A383 A385 | C321-F372 HydrophobicContact CB-CE1 4.42Å; C321-F372 HydrophobicContact CB-CE2 4.21Å; C321-F372 HydrophobicContact CB-CZ 4.03Å; C321-F372 PolarHBondContact SG-O 2.92Å; L332-F372 HydrophobicContact CB-CE2 4.31Å; L332-F372 HydrophobicContact CB-CZ 3.88Å; L332-F372 VanDerWaalsContact O-CZ 3.28Å; L332-F372 WeakPolarHBondContact O-CZ 3.2Å; M365-F372 HydrophobicContact CE-CZ 4.04Å; M365-F372 HydrophobicContact SD-CE2 4.3Å; M365-F372 HydrophobicContact SD-CZ 4.27Å; R369-F372 HydrophobicContact CB-CB 4.41Å; R369-F372 HydrophobicContact CB-CD1 3.58Å; R369-F372 HydrophobicContact CB-CE1 3.9Å; R369-F372 HydrophobicContact CB-CG 4Å; R369-F372 VanDerWaalsContact O-CE1 3.32Å; R369-F372 WeakPolarHBondContact O-CE1 3.11Å; S370-F372 VanDerWaalsContact C-N 3.29Å; S370-F372 PolarHBondContact O-N 3.19Å; F372-V374 HydrophobicContact CD2-CG2 3.83Å; F372-V374 HydrophobicContact CE2-CG2 3.34Å; F372-V374 HydrophobicContact CZ-CG2 4.21Å; F372-A383 HydrophobicContact CD2-CB 3.99Å; F372-A383 HydrophobicContact CE2-CB 3.78Å; F372-A385 WeakPolarHBondContact CB-O 3.34Å | ||
| 373 | A | 95.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V384 H419 I430 | A373-V384 PolarHBondContact N-O 3.49Å; A373-V384 PolarHBondContact O-N 3.49Å; A373-H419 WeakPolarHBondContact CB-CD2 3.5Å; A373-H419 PolarHBondContact N-NE2 3.49Å; A373-I430 HydrophobicContact CB-CD1 3.56Å |
| 374 | V | 95.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 25.6 Ų | 25.6 | 11% | 0.109 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.9 | 178.8 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | C321 A323 L332 F372 V381 Y382 | C321-V374 HydrophobicContact CB-CB 4.15Å; C321-V374 HydrophobicContact CB-CG2 3.48Å; C321-V374 VanDerWaalsContact CB-CG2 3.48Å; A323-V374 HydrophobicContact CB-CG1 3.78Å; L332-V374 HydrophobicContact CD1-CG1 4.13Å; L332-V374 HydrophobicContact CD1-CG2 4.29Å; F372-V374 HydrophobicContact CD2-CG2 3.83Å; F372-V374 HydrophobicContact CE2-CG2 3.34Å; F372-V374 HydrophobicContact CZ-CG2 4.21Å; V374-V381 HydrophobicContact CG1-CG1 3.52Å; V374-Y382 WeakPolarHBondContact CA-O 3.37Å |
| 375 | G | 96.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 5% | 0.052 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 144.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y382 | G375-Y382 PolarHBondContact N-O 2.74Å; G375-Y382 VanDerWaalsContact N-O 3.08Å; G375-Y382 PolarHBondContact O-N 2.86Å |
| 376 | V | 97.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 22.1 Ų | 22.1 | 22% | 0.224 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.5 | 176.5 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | A323 V325 Y380 V381 V423 | A323-V376 HydrophobicContact CB-CG2 3.64Å; V325-V376 HydrophobicContact CG2-CG1 3.88Å; V325-V376 HydrophobicContact CG2-CG2 4.07Å; V376-Y380 WeakPolarHBondContact CA-O 3.38Å; V376-V381 HydrophobicContact CG2-CG1 4.48Å; V376-V381 HydrophobicContact CG2-CG2 4.25Å; V376-V423 WeakPolarHBondContact O-CG2 3.44Å |
| 377 | I | 96.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 21.9 Ų | 21.9 | 7% | 0.072 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 114.3 | 174.2 | -53.8 | 167.8 | 0 | 0 | 0 | 108.3 | R379 Y380 Y382 V423 N426 L428 P448 | I377-R379 PolarHBondContact O-N 3.01Å; I377-Y380 PolarHBondContact N-O 2.72Å; I377-Y380 PolarHBondContact O-N 3.5Å; I377-Y380 VanDerWaalsContact O-N 3.12Å; I377-Y382 HydrophobicContact CB-CD2 4.43Å; I377-Y382 HydrophobicContact CB-CE2 3.86Å; I377-Y382 HydrophobicContact CD1-CD2 4.33Å; I377-Y382 HydrophobicContact CD1-CE2 4.16Å; I377-Y382 HydrophobicContact CG1-CD2 4.41Å; I377-Y382 HydrophobicContact CG1-CE2 4.25Å; I377-V423 HydrophobicContact CG1-CG1 4.04Å; I377-V423 HydrophobicContact CG1-CG2 4.03Å; I377-N426 HydrophobicContact CG2-CB 4.15Å; I377-L428 HydrophobicContact CD1-CB 4Å; I377-P448 HydrophobicContact CD1-CG 4.02Å; I377-P448 HydrophobicContact CG2-CG 4.08Å |
| 378 | G | 94.1 | Very high | 95.3 | Very high | 60 Ų | 60 | 21.9 Ų | 21.9 | 62% | 0.619 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -125.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y380 | G378-Y380 VanDerWaalsContact C-N 3.3Å; G378-Y380 PolarHBondContact O-N 3.18Å |
| 379 | R | 95.3 | Very high | 94.8 | Very high | 93 Ų | 93 | 27.3 Ų | 27.3 | 35% | 0.351 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.1 | 178.9 | 73 | -174.6 | -106.3 | 168.1 | -11.7 | 114.6 | L267 I377 D400 I401 T402 | L267-R379 HydrophobicContact CD1-CB 3.64Å; L267-R379 HydrophobicContact CD2-CB 4.37Å; I377-R379 PolarHBondContact O-N 3.01Å; R379-D400 IonicContact CZ-OD1 3.38Å; R379-D400 VanDerWaalsContact CZ-OD1 3.32Å; R379-D400 IonicContact CZ-OD2 2.74Å; R379-D400 IonicContact NE-OD1 3.55Å; R379-D400 PolarHBondContact NE-OD1 2.95Å; R379-D400 VanDerWaalsContact NE-OD1 3.1Å; R379-D400 IonicContact NE-OD2 3.9Å; R379-D400 PolarHBondContact NE-OD2 3.21Å; R379-D400 IonicContact NH2-OD1 3.96Å; R379-D400 PolarHBondContact NH2-OD1 3.09Å; R379-D400 IonicContact NH2-OD2 3.16Å; R379-D400 PolarHBondContact NH2-OD2 3.11Å; R379-I401 WeakPolarHBondContact O-CB 3.25Å; R379-I401 VanDerWaalsContact O-CD1 3.32Å; R379-I401 WeakPolarHBondContact O-CD1 3.26Å; R379-I401 VanDerWaalsContact O-CG1 3.26Å; R379-I401 WeakPolarHBondContact O-CG1 3.32Å; R379-I401 PolarHBondContact O-N 3.42Å; R379-T402 PolarHBondContact NH1-OG1 2.99Å; R379-T402 PolarHBondContact NH2-OG1 3.06Å |
| 380 | Y | 97.4 | Very high | 94.5 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 22% | 0.216 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.7 | -168.5 | -62.5 | -72.3 | 0 | 0 | 0 | 112.3 | V376 I377 G378 Y382 R398 Y399 D400 | V376-Y380 WeakPolarHBondContact CA-O 3.38Å; I377-Y380 PolarHBondContact N-O 2.72Å; I377-Y380 PolarHBondContact O-N 3.5Å; I377-Y380 VanDerWaalsContact O-N 3.12Å; G378-Y380 VanDerWaalsContact C-N 3.3Å; G378-Y380 PolarHBondContact O-N 3.18Å; Y380-Y382 VanDerWaalsContact CB-CE2 3.5Å; Y380-R398 HydrophobicContact CD1-CG 4.12Å; Y380-Y399 VanDerWaalsContact CA-O 3.25Å; Y380-Y399 WeakPolarHBondContact CA-O 3.48Å; Y380-D400 HydrophobicContact CD1-CB 4.14Å; Y380-D400 HydrophobicContact CE1-CB 3.8Å; Y380-D400 WeakPolarHBondContact CE1-OD2 3.41Å; Y380-D400 PolarHBondContact OH-OD2 3.16Å |
| 381 | V | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.5 | 167.8 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | A323 V325 L332 V374 V376 R398 Y399 I401 | A323-V381 HydrophobicContact CB-CG1 3.94Å; V325-V381 HydrophobicContact CG2-CG2 4.5Å; L332-V381 HydrophobicContact CD2-CG1 3.84Å; V374-V381 HydrophobicContact CG1-CG1 3.52Å; V376-V381 HydrophobicContact CG2-CG1 4.48Å; V376-V381 HydrophobicContact CG2-CG2 4.25Å; V381-R398 CarbonylContact O-C 3.47Å; V381-R398 WeakPolarHBondContact O-CA 3.32Å; V381-Y399 HydrophobicContact CB-CD1 4.37Å; V381-Y399 HydrophobicContact CG2-CD1 4.19Å; V381-Y399 PolarHBondContact N-O 3.1Å; V381-Y399 PolarHBondContact O-N 3.25Å; V381-I401 HydrophobicContact CG2-CD1 4.01Å; V381-I401 HydrophobicContact CG2-CG1 4.17Å |
| 382 | Y | 97.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.9 | -178.4 | -64.7 | -97.8 | 0 | 0 | 0 | 109.9 | V374 G375 I377 Y380 E397 R398 V409 F446 | V374-Y382 WeakPolarHBondContact CA-O 3.37Å; G375-Y382 PolarHBondContact N-O 2.74Å; G375-Y382 VanDerWaalsContact N-O 3.08Å; G375-Y382 PolarHBondContact O-N 2.86Å; I377-Y382 HydrophobicContact CB-CD2 4.43Å; I377-Y382 HydrophobicContact CB-CE2 3.86Å; I377-Y382 HydrophobicContact CD1-CD2 4.33Å; I377-Y382 HydrophobicContact CD1-CE2 4.16Å; I377-Y382 HydrophobicContact CG1-CD2 4.41Å; I377-Y382 HydrophobicContact CG1-CE2 4.25Å; Y380-Y382 VanDerWaalsContact CB-CE2 3.5Å; Y382-E397 CarbonylContact C-O 3.53Å; Y382-E397 WeakPolarHBondContact CA-O 3.42Å; Y382-R398 HydrophobicContact CD1-CB 3.66Å; Y382-R398 HydrophobicContact CE1-CB 3.59Å; Y382-R398 HydrophobicContact CE1-CG 4.42Å; Y382-R398 HydrophobicContact CG-CB 4.29Å; Y382-V409 HydrophobicContact CD1-CG2 4.4Å; Y382-V409 HydrophobicContact CE1-CG2 4.5Å; Y382-F446 HydrophobicContact CD1-CD1 4.44Å; Y382-F446 AromaticContact CD1-CE1 3.79Å; Y382-F446 HydrophobicContact CD1-CE1 3.79Å; Y382-F446 HydrophobicContact CD1-CZ 4.34Å; Y382-F446 HydrophobicContact CE1-CD1 4.39Å; Y382-F446 AromaticContact CE1-CE1 3.41Å; Y382-F446 HydrophobicContact CE1-CE1 3.41Å; Y382-F446 VanDerWaalsContact CE1-CE1 3.41Å; Y382-F446 AromaticContact CE1-CZ 3.9Å; Y382-F446 HydrophobicContact CE1-CZ 3.9Å; Y382-F446 AromaticContact CZ-CE1 3.97Å |
| 383 | A | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | M365 F372 T396 E397 W406 | M365-A383 HydrophobicContact SD-CB 3.93Å; F372-A383 HydrophobicContact CD2-CB 3.99Å; F372-A383 HydrophobicContact CE2-CB 3.78Å; A383-T396 WeakPolarHBondContact O-CA 3.46Å; A383-E397 PolarHBondContact N-O 3.41Å; A383-E397 PolarHBondContact O-N 3.2Å; A383-W406 HydrophobicContact CB-CH2 4.01Å; A383-W406 HydrophobicContact CB-CZ3 3.8Å |
| 384 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.3 | -168.5 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | A373 T396 Y412 H419 L428 I430 W468 | A373-V384 PolarHBondContact N-O 3.49Å; A373-V384 PolarHBondContact O-N 3.49Å; V384-T396 HydrophobicContact CG2-CG2 3.88Å; V384-Y412 HydrophobicContact CG1-CD2 3.86Å; V384-Y412 HydrophobicContact CG1-CG 4.04Å; V384-H419 PolarHBondContact O-CE1 2.96Å; V384-H419 PolarHBondContact O-NE2 3.27Å; V384-L428 HydrophobicContact CG2-CD2 3.63Å; V384-I430 HydrophobicContact CB-CD1 4.34Å; V384-I430 HydrophobicContact CG1-CD1 4.41Å; V384-I430 HydrophobicContact CG1-CG1 4.3Å; V384-I430 HydrophobicContact CG2-CD1 4.33Å; V384-W468 HydrophobicContact CB-CH2 4.47Å; V384-W468 HydrophobicContact CG1-CH2 3.67Å; V384-W468 HydrophobicContact CG1-CZ2 3.83Å; V384-W468 HydrophobicContact CG2-CH2 3.93Å; V384-W468 HydrophobicContact CG2-CZ2 4.11Å |
| 385 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.2 | -146.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R369 F372 F393 S395 K416 | R369-A385 WeakPolarHBondContact CD-O 3.34Å; R369-A385 PolarHBondContact NH1-O 2.74Å; F372-A385 WeakPolarHBondContact CB-O 3.34Å; A385-F393 WeakPolarHBondContact CA-O 3.43Å; A385-F393 VanDerWaalsContact CB-O 3.25Å; A385-F393 WeakPolarHBondContact CB-O 3.29Å; A385-S395 PolarHBondContact N-O 2.93Å; A385-K416 HydrophobicContact CB-CB 4.47Å; A385-K416 WeakPolarHBondContact CB-O 3.42Å |
| 386 | G | 95 | Very high | 94 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.7 | -168.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S370 F393 K416 | S370-G386 WeakPolarHBondContact O-CA 3.37Å; G386-F393 PolarHBondContact O-N 2.79Å; G386-K416 WeakPolarHBondContact CA-O 3.28Å; G386-K416 PolarHBondContact N-O 3.15Å |
| 387 | R | 93.3 | Very high | 94 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 23% | 0.234 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 163.8 | 179.8 | 67.9 | 175.8 | -174 | 118.8 | 5.8 | 113.3 | S370 E371 E391 Y417 | S370-R387 PolarHBondContact N-O 2.98Å; S370-R387 PolarHBondContact O-N 3.02Å; S370-R387 PolarHBondContact OG-O 3.18Å; E371-R387 VanDerWaalsContact CD-NE 3.28Å; E371-R387 IonicContact OE1-CZ 3.19Å; E371-R387 IonicContact OE1-NE 2.62Å; E371-R387 PolarHBondContact OE1-NE 2.64Å; E371-R387 IonicContact OE1-NH2 2.74Å; E371-R387 PolarHBondContact OE1-NH2 3.12Å; E371-R387 IonicContact OE2-CZ 3.95Å; E371-R387 IonicContact OE2-NE 3.32Å; E371-R387 PolarHBondContact OE2-NE 2.73Å; E371-R387 IonicContact OE2-NH2 3.03Å; R387-E391 CarbonylContact C-O 3.54Å; R387-E391 VanDerWaalsContact CA-O 3.26Å; R387-E391 WeakPolarHBondContact CA-O 3.22Å; R387-E391 WeakPolarHBondContact CB-O 3.25Å; R387-Y417 HydrophobicContact CB-CD1 4.48Å; R387-Y417 HydrophobicContact CB-CG 4.28Å; R387-Y417 HydrophobicContact CG-CD2 4.35Å; R387-Y417 HydrophobicContact CG-CG 4.1Å |
| 388 | T | 91.5 | Very high | 94 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 16% | 0.16 | 23% | 0.225 | C | C | . | . | trans | -105.7 | -171.4 | 153.5 | 60.2 | 0 | 0 | 0 | 0 | 108.2 | A345 P368 D390 E391 F393 | A345-T388 HydrophobicContact CB-CG2 3.82Å; P368-T388 HydrophobicContact CG-CG2 4.2Å; P368-T388 WeakPolarHBondContact O-CG2 3.31Å; T388-D390 PolarHBondContact O-N 2.79Å; T388-D390 PolarHBondContact OG1-N 2.87Å; T388-E391 PolarHBondContact N-O 2.9Å; T388-E391 PolarHBondContact OG1-N 2.88Å; T388-E391 VanDerWaalsContact OG1-N 3.11Å; T388-E391 PolarHBondContact OG1-O 2.79Å; T388-F393 HydrophobicContact CG2-CE2 3.57Å; T388-F393 HydrophobicContact CG2-CZ 3.91Å | ||
| 389 | R | 84.4 | Confident | 94.2 | Very high | 164 Ų | 164 | 44 Ų | 44 | 62% | 0.619 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -59.9 | -38.4 | 171.1 | -172.6 | -178.8 | -177.8 | -163.3 | 5.4 | 112.2 | ||
| 390 | D | 85.4 | Confident | 94.3 | Very high | 142 Ų | 142 | 40.2 Ų | 40.2 | 76% | 0.759 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -102.2 | -26.8 | -167.7 | -55.2 | -47.3 | 0 | 0 | 0 | 113.1 | T388 | T388-D390 PolarHBondContact O-N 2.79Å; T388-D390 PolarHBondContact OG1-N 2.87Å |
| 391 | E | 90.1 | Very high | 94.3 | Very high | 119 Ų | 119 | 37.6 Ų | 37.6 | 56% | 0.556 | 17% | 0.172 | S | C | * | . | trans | -135.2 | 147.9 | -170.5 | -67.3 | -173.3 | 163.8 | 0 | 0 | 112.2 | R387 T388 F393 | R387-E391 CarbonylContact C-O 3.54Å; R387-E391 VanDerWaalsContact CA-O 3.26Å; R387-E391 WeakPolarHBondContact CA-O 3.22Å; R387-E391 WeakPolarHBondContact CB-O 3.25Å; T388-E391 PolarHBondContact N-O 2.9Å; T388-E391 PolarHBondContact OG1-N 2.88Å; T388-E391 VanDerWaalsContact OG1-N 3.11Å; T388-E391 PolarHBondContact OG1-O 2.79Å; E391-F393 HydrophobicContact CB-CD1 4.44Å; E391-F393 HydrophobicContact CB-CE1 3.59Å; E391-F393 HydrophobicContact CB-CE2 4.16Å; E391-F393 HydrophobicContact CB-CZ 3.42Å; E391-F393 VanDerWaalsContact CB-CZ 3.42Å; E391-F393 WeakPolarHBondContact OE2-CE1 3.17Å | ||
| 392 | T | 92.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 38.7 Ų | 38.7 | 28% | 0.276 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.1 | 168.7 | -56.6 | 0 | 0 | 0 | 0 | 108.3 | N415 K416 Y417 | T392-N415 HydrophobicContact CG2-CB 3.83Å; T392-N415 PolarHBondContact O-ND2 2.73Å; T392-N415 PolarHBondContact O-OD1 3.45Å; T392-N415 VanDerWaalsContact O-OD1 3.06Å; T392-K416 VanDerWaalsContact CG2-N 3.33Å; T392-Y417 HydrophobicContact CG2-CD1 3.76Å |
| 393 | F | 90.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 155.9 | -174.4 | -46.4 | -78 | 0 | 0 | 0 | 111.4 | V367 A385 G386 T388 E391 N415 K416 | V367-F393 HydrophobicContact CG1-CD2 4.23Å; V367-F393 HydrophobicContact CG1-CE2 4.22Å; V367-F393 HydrophobicContact CG1-CG 4.46Å; V367-F393 HydrophobicContact CG1-CZ 4.42Å; A385-F393 WeakPolarHBondContact CA-O 3.43Å; A385-F393 VanDerWaalsContact CB-O 3.25Å; A385-F393 WeakPolarHBondContact CB-O 3.29Å; G386-F393 PolarHBondContact O-N 2.79Å; T388-F393 HydrophobicContact CG2-CE2 3.57Å; T388-F393 HydrophobicContact CG2-CZ 3.91Å; E391-F393 HydrophobicContact CB-CD1 4.44Å; E391-F393 HydrophobicContact CB-CE1 3.59Å; E391-F393 HydrophobicContact CB-CE2 4.16Å; E391-F393 HydrophobicContact CB-CZ 3.42Å; E391-F393 VanDerWaalsContact CB-CZ 3.42Å; E391-F393 WeakPolarHBondContact OE2-CE1 3.17Å; F393-N415 WeakPolarHBondContact CA-OD1 3.32Å; F393-K416 PolarHBondContact O-N 2.96Å |
| 394 | Y | 93.4 | Very high | 94.1 | Very high | 118 Ų | 118 | 46.4 Ų | 46.4 | 46% | 0.463 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -2.8 | 171.6 | 63.5 | -110.8 | 0 | 0 | 0 | 112 | P411 Y412 V414 N415 | Y394-P411 HydrophobicContact CD2-CB 3.4Å; Y394-P411 HydrophobicContact CD2-CG 4.43Å; Y394-P411 HydrophobicContact CE2-CB 3.52Å; Y394-P411 HydrophobicContact CE2-CG 4.15Å; Y394-Y412 WeakPolarHBondContact CB-O 3.05Å; Y394-Y412 WeakPolarHBondContact O-CA 3.26Å; Y394-Y412 WeakPolarHBondContact O-CB 3.34Å; Y394-Y412 PolarHBondContact O-N 2.85Å; Y394-V414 WeakPolarHBondContact CB-O 3.39Å; Y394-N415 WeakPolarHBondContact CD1-OD1 3.17Å; Y394-N415 PolarHBondContact N-OD1 3.22Å |
| 395 | S | 95.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 143.9 | -176.9 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | R369 A385 | R369-S395 PolarHBondContact NH1-O 2.91Å; R369-S395 PolarHBondContact NH1-OG 2.93Å; R369-S395 VanDerWaalsContact NH1-OG 3.16Å; R369-S395 PolarHBondContact NH2-OG 3.39Å; A385-S395 PolarHBondContact N-O 2.93Å |
| 396 | T | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.9 | 175 | -55.8 | 0 | 0 | 0 | 0 | 108.5 | A383 V384 V409 D410 Y412 W468 | A383-T396 WeakPolarHBondContact O-CA 3.46Å; V384-T396 HydrophobicContact CG2-CG2 3.88Å; T396-V409 HydrophobicContact CG2-CG2 3.52Å; T396-V409 PolarHBondContact O-N 2.8Å; T396-D410 WeakPolarHBondContact CB-O 2.85Å; T396-D410 PolarHBondContact OG1-O 2.99Å; T396-Y412 PolarHBondContact OG1-N 2.8Å; T396-W468 HydrophobicContact CG2-CZ2 4.33Å |
| 397 | E | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.5 | 176 | -63.5 | 177.8 | -108.9 | 0 | 0 | 109.3 | S366 V367 R369 Y382 A383 W406 E407 F408 | S366-E397 WeakPolarHBondContact CA-OE2 3.41Å; S366-E397 WeakPolarHBondContact CB-OE2 3.35Å; S366-E397 PolarHBondContact N-OE2 2.86Å; S366-E397 PolarHBondContact OG-OE2 3.46Å; V367-E397 PolarHBondContact N-OE1 2.67Å; R369-E397 IonicContact CZ-OE1 3.07Å; R369-E397 IonicContact NE-OE1 3.03Å; R369-E397 PolarHBondContact NE-OE1 3.01Å; R369-E397 IonicContact NH2-OE1 2.93Å; R369-E397 PolarHBondContact NH2-OE1 3.02Å; Y382-E397 CarbonylContact C-O 3.53Å; Y382-E397 WeakPolarHBondContact CA-O 3.42Å; A383-E397 PolarHBondContact N-O 3.41Å; A383-E397 PolarHBondContact O-N 3.2Å; E397-W406 HydrophobicContact CB-CE3 3.67Å; E397-W406 HydrophobicContact CB-CZ3 4.06Å; E397-E407 CarbonylContact C-O 3.59Å; E397-E407 VanDerWaalsContact CA-O 3.27Å; E397-E407 WeakPolarHBondContact CA-O 3.42Å; E397-F408 HydrophobicContact CG-CD1 3.53Å; E397-F408 HydrophobicContact CG-CE1 3.53Å; E397-F408 HydrophobicContact CG-CG 4.36Å; E397-F408 HydrophobicContact CG-CZ 4.36Å |
| 398 | R | 97.3 | Very high | 94.5 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.7 | 167.7 | 76.6 | 177 | 173.7 | -135.9 | -9.1 | 110.1 | Y380 V381 Y382 W406 E407 V409 E451 | Y380-R398 HydrophobicContact CD1-CG 4.12Å; V381-R398 CarbonylContact O-C 3.47Å; V381-R398 WeakPolarHBondContact O-CA 3.32Å; Y382-R398 HydrophobicContact CD1-CB 3.66Å; Y382-R398 HydrophobicContact CE1-CB 3.59Å; Y382-R398 HydrophobicContact CE1-CG 4.42Å; Y382-R398 HydrophobicContact CG-CB 4.29Å; R398-W406 WeakPolarHBondContact O-CA 3.39Å; R398-E407 HydrophobicContact CG-CG 3.69Å; R398-E407 IonicContact CZ-OE1 3.86Å; R398-E407 PolarHBondContact N-O 3.29Å; R398-E407 IonicContact NE-OE1 2.79Å; R398-E407 PolarHBondContact NE-OE1 2.81Å; R398-E407 IonicContact NH2-OE1 2.9Å; R398-E407 PolarHBondContact NH2-OE1 3.04Å; R398-E407 PolarHBondContact O-N 3.05Å; R398-V409 HydrophobicContact CB-CG1 4.2Å; R398-V409 HydrophobicContact CG-CG1 3.71Å; R398-E451 IonicContact CZ-OE1 3.44Å; R398-E451 IonicContact CZ-OE2 3.52Å; R398-E451 IonicContact NH1-OE1 2.79Å; R398-E451 PolarHBondContact NH1-OE1 2.79Å; R398-E451 IonicContact NH1-OE2 3.55Å; R398-E451 PolarHBondContact NH1-OE2 3.35Å; R398-E451 IonicContact NH2-OE1 3.51Å |
| 399 | Y | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.5 | 173.4 | 177.1 | -114.4 | 0 | 0 | 0 | 109.5 | F330 M362 A363 Y380 V381 I401 D404 K405 W406 | F330-Y399 AromaticContact CE1-CE1 3.95Å; F330-Y399 HydrophobicContact CE1-CE1 3.95Å; M362-Y399 WeakPolarHBondContact CE-OH 3.19Å; A363-Y399 HydrophobicContact CB-CE2 4.33Å; Y380-Y399 VanDerWaalsContact CA-O 3.25Å; Y380-Y399 WeakPolarHBondContact CA-O 3.48Å; V381-Y399 HydrophobicContact CB-CD1 4.37Å; V381-Y399 HydrophobicContact CG2-CD1 4.19Å; V381-Y399 PolarHBondContact N-O 3.1Å; V381-Y399 PolarHBondContact O-N 3.25Å; Y399-I401 HydrophobicContact CD1-CG1 3.84Å; Y399-I401 HydrophobicContact CE1-CB 4.28Å; Y399-I401 HydrophobicContact CE1-CG1 3.81Å; Y399-D404 VanDerWaalsContact CE2-OD1 3.29Å; Y399-D404 WeakPolarHBondContact CE2-OD1 3.47Å; Y399-D404 VanDerWaalsContact CZ-OD1 3.3Å; Y399-D404 PolarHBondContact OH-OD1 3.05Å; Y399-K405 WeakPolarHBondContact CA-O 3.46Å; Y399-W406 AromaticContact CD2-CD1 3.71Å; Y399-W406 AromaticContact CD2-CD2 3.99Å; Y399-W406 HydrophobicContact CD2-CD2 3.99Å; Y399-W406 AromaticContact CD2-CE2 3.61Å; Y399-W406 HydrophobicContact CD2-CG 4.07Å; Y399-W406 HydrophobicContact CD2-CZ2 4.15Å; Y399-W406 AromaticContact CD2-NE1 3.4Å; Y399-W406 HydrophobicContact CG-CD2 4.26Å; Y399-W406 AromaticContact CG-CE2 3.86Å; Y399-W406 HydrophobicContact CG-CH2 4.46Å; Y399-W406 AromaticContact CG-CZ2 3.96Å; Y399-W406 HydrophobicContact CG-CZ2 3.96Å |
| 400 | D | 97.6 | Very high | 95 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 109.6 | 169.5 | -163.5 | -46.7 | 0 | 0 | 0 | 110.2 | R379 Y380 T402 E403 D404 K405 | R379-D400 IonicContact CZ-OD1 3.38Å; R379-D400 VanDerWaalsContact CZ-OD1 3.32Å; R379-D400 IonicContact CZ-OD2 2.74Å; R379-D400 IonicContact NE-OD1 3.55Å; R379-D400 PolarHBondContact NE-OD1 2.95Å; R379-D400 VanDerWaalsContact NE-OD1 3.1Å; R379-D400 IonicContact NE-OD2 3.9Å; R379-D400 PolarHBondContact NE-OD2 3.21Å; R379-D400 IonicContact NH2-OD1 3.96Å; R379-D400 PolarHBondContact NH2-OD1 3.09Å; R379-D400 IonicContact NH2-OD2 3.16Å; R379-D400 PolarHBondContact NH2-OD2 3.11Å; Y380-D400 HydrophobicContact CD1-CB 4.14Å; Y380-D400 HydrophobicContact CE1-CB 3.8Å; Y380-D400 WeakPolarHBondContact CE1-OD2 3.41Å; Y380-D400 PolarHBondContact OH-OD2 3.16Å; D400-T402 PolarHBondContact O-N 3.41Å; D400-T402 PolarHBondContact OD1-N 2.9Å; D400-T402 PolarHBondContact OD1-OG1 2.92Å; D400-E403 HydrophobicContact CB-CB 4.21Å; D400-E403 PolarHBondContact O-N 2.93Å; D400-E403 PolarHBondContact OD1-N 2.79Å; D400-D404 WeakPolarHBondContact O-CA 3.37Å; D400-D404 PolarHBondContact O-N 3.46Å; D400-K405 PolarHBondContact N-O 3.16Å; D400-K405 PolarHBondContact O-N 2.96Å |
| 401 | I | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.3 | -178.6 | -64.4 | 168 | 0 | 0 | 0 | 111.7 | H263 P266 L267 V325 R379 V381 Y399 | H263-I401 CarbonylContact C-O 3.58Å; H263-I401 WeakPolarHBondContact CB-O 3.37Å; H263-I401 WeakPolarHBondContact O-CG2 3.49Å; P266-I401 HydrophobicContact CG-CG2 4.31Å; L267-I401 HydrophobicContact CD1-CB 3.98Å; L267-I401 HydrophobicContact CD1-CG2 3.96Å; L267-I401 HydrophobicContact CD2-CD1 4.2Å; L267-I401 HydrophobicContact CG-CB 4.48Å; L267-I401 HydrophobicContact CG-CG2 4.08Å; V325-I401 HydrophobicContact CB-CD1 4.41Å; V325-I401 HydrophobicContact CG1-CD1 4.03Å; V325-I401 HydrophobicContact CG2-CD1 3.86Å; R379-I401 WeakPolarHBondContact O-CB 3.25Å; R379-I401 VanDerWaalsContact O-CD1 3.32Å; R379-I401 WeakPolarHBondContact O-CD1 3.26Å; R379-I401 VanDerWaalsContact O-CG1 3.26Å; R379-I401 WeakPolarHBondContact O-CG1 3.32Å; R379-I401 PolarHBondContact O-N 3.42Å; V381-I401 HydrophobicContact CG2-CD1 4.01Å; V381-I401 HydrophobicContact CG2-CG1 4.17Å; Y399-I401 HydrophobicContact CD1-CG1 3.84Å; Y399-I401 HydrophobicContact CE1-CB 4.28Å; Y399-I401 HydrophobicContact CE1-CG1 3.81Å |
| 402 | T | 95.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 14% | 0.135 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -35.7 | -175.7 | 65 | 0 | 0 | 0 | 0 | 112.9 | Q264 L267 R379 D400 | Q264-T402 HydrophobicContact CG-CG2 4.11Å; L267-T402 HydrophobicContact CD1-CG2 3.51Å; R379-T402 PolarHBondContact NH1-OG1 2.99Å; R379-T402 PolarHBondContact NH2-OG1 3.06Å; D400-T402 PolarHBondContact O-N 3.41Å; D400-T402 PolarHBondContact OD1-N 2.9Å; D400-T402 PolarHBondContact OD1-OG1 2.92Å |
| 403 | E | 95.6 | Very high | 95.5 | Very high | 129 Ų | 129 | 45.7 Ų | 45.7 | 60% | 0.603 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -5.6 | -177 | -58.2 | -58.4 | 140.3 | 0 | 0 | 112.7 | D400 K405 | D400-E403 HydrophobicContact CB-CB 4.21Å; D400-E403 PolarHBondContact O-N 2.93Å; D400-E403 PolarHBondContact OD1-N 2.79Å; E403-K405 VanDerWaalsContact C-N 3.33Å; E403-K405 HydrophobicContact CB-CB 4.31Å; E403-K405 PolarHBondContact O-N 2.92Å |
| 404 | D | 96.9 | Very high | 95.5 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 53.2 | -173.2 | -167.9 | 25.6 | 0 | 0 | 0 | 111.9 | H263 A363 Y399 D400 | H263-D404 IonicContact CE1-OD2 3.52Å; H263-D404 PolarHBondContact CE1-OD2 3.37Å; H263-D404 IonicContact ND1-OD2 2.8Å; H263-D404 PolarHBondContact ND1-OD2 2.95Å; A363-D404 WeakPolarHBondContact CB-O 3.3Å; A363-D404 WeakPolarHBondContact CB-OD1 3.37Å; A363-D404 PolarHBondContact N-OD1 3.05Å; Y399-D404 VanDerWaalsContact CE2-OD1 3.29Å; Y399-D404 WeakPolarHBondContact CE2-OD1 3.47Å; Y399-D404 VanDerWaalsContact CZ-OD1 3.3Å; Y399-D404 PolarHBondContact OH-OD1 3.05Å; D400-D404 WeakPolarHBondContact O-CA 3.37Å; D400-D404 PolarHBondContact O-N 3.46Å |
| 405 | K | 97.8 | Very high | 95.5 | Very high | 132 Ų | 132 | 44 Ų | 44 | 57% | 0.574 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144 | 141.8 | -172.8 | -174 | 179.5 | 174.7 | -168.4 | 0 | 112.5 | Y399 D400 E403 | Y399-K405 WeakPolarHBondContact CA-O 3.46Å; D400-K405 PolarHBondContact N-O 3.16Å; D400-K405 PolarHBondContact O-N 2.96Å; E403-K405 VanDerWaalsContact C-N 3.33Å; E403-K405 HydrophobicContact CB-CB 4.31Å; E403-K405 PolarHBondContact O-N 2.92Å |
| 406 | W | 98.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 6% | 0.057 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 145.9 | 171.1 | -68.6 | 91 | 0 | 0 | 0 | 112 | L332 V349 A363 D364 M365 A383 E397 R398 Y399 | L332-W406 HydrophobicContact CD2-CH2 3.61Å; L332-W406 HydrophobicContact CD2-CZ2 3.76Å; V349-W406 HydrophobicContact CG2-CZ2 3.79Å; A363-W406 PolarHBondContact O-NE1 2.93Å; D364-W406 VanDerWaalsContact C-CD1 3.49Å; M365-W406 HydrophobicContact CB-CD2 4.46Å; M365-W406 HydrophobicContact CG-CD2 3.84Å; M365-W406 VanDerWaalsContact CG-CE2 3.44Å; M365-W406 HydrophobicContact CG-CE3 4.16Å; M365-W406 HydrophobicContact CG-CH2 3.77Å; M365-W406 HydrophobicContact CG-CZ2 3.43Å; M365-W406 VanDerWaalsContact CG-CZ2 3.43Å; M365-W406 HydrophobicContact CG-CZ3 4.12Å; M365-W406 HydrophobicContact SD-CH2 4.02Å; M365-W406 HydrophobicContact SD-CZ2 4.16Å; M365-W406 HydrophobicContact SD-CZ3 4.48Å; A383-W406 HydrophobicContact CB-CH2 4.01Å; A383-W406 HydrophobicContact CB-CZ3 3.8Å; E397-W406 HydrophobicContact CB-CE3 3.67Å; E397-W406 HydrophobicContact CB-CZ3 4.06Å; R398-W406 WeakPolarHBondContact O-CA 3.39Å; Y399-W406 AromaticContact CD2-CD1 3.71Å; Y399-W406 AromaticContact CD2-CD2 3.99Å; Y399-W406 HydrophobicContact CD2-CD2 3.99Å; Y399-W406 AromaticContact CD2-CE2 3.61Å; Y399-W406 HydrophobicContact CD2-CG 4.07Å; Y399-W406 HydrophobicContact CD2-CZ2 4.15Å; Y399-W406 AromaticContact CD2-NE1 3.4Å; Y399-W406 HydrophobicContact CG-CD2 4.26Å; Y399-W406 AromaticContact CG-CE2 3.86Å; Y399-W406 HydrophobicContact CG-CH2 4.46Å; Y399-W406 AromaticContact CG-CZ2 3.96Å; Y399-W406 HydrophobicContact CG-CZ2 3.96Å |
| 407 | E | 97.3 | Very high | 95.3 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.1 | 169.2 | 65.8 | -174.3 | 166 | 0 | 0 | 111.8 | E397 R398 | E397-E407 CarbonylContact C-O 3.59Å; E397-E407 VanDerWaalsContact CA-O 3.27Å; E397-E407 WeakPolarHBondContact CA-O 3.42Å; R398-E407 HydrophobicContact CG-CG 3.69Å; R398-E407 IonicContact CZ-OE1 3.86Å; R398-E407 PolarHBondContact N-O 3.29Å; R398-E407 IonicContact NE-OE1 2.79Å; R398-E407 PolarHBondContact NE-OE1 2.81Å; R398-E407 IonicContact NH2-OE1 2.9Å; R398-E407 PolarHBondContact NH2-OE1 3.04Å; R398-E407 PolarHBondContact O-N 3.05Å |
| 408 | F | 96.2 | Very high | 95.1 | Very high | 120 Ų | 120 | 45 Ų | 45 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 140.1 | 175.1 | -68.9 | -74 | 0 | 0 | 0 | 111 | V367 E397 | V367-F408 HydrophobicContact CG2-CE1 4.06Å; V367-F408 HydrophobicContact CG2-CZ 3.99Å; E397-F408 HydrophobicContact CG-CD1 3.53Å; E397-F408 HydrophobicContact CG-CE1 3.53Å; E397-F408 HydrophobicContact CG-CG 4.36Å; E397-F408 HydrophobicContact CG-CZ 4.36Å |
| 409 | V | 94.5 | Very high | 95 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | -176.2 | 171.5 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | Y382 T396 R398 P411 F446 | Y382-V409 HydrophobicContact CD1-CG2 4.4Å; Y382-V409 HydrophobicContact CE1-CG2 4.5Å; T396-V409 HydrophobicContact CG2-CG2 3.52Å; T396-V409 PolarHBondContact O-N 2.8Å; R398-V409 HydrophobicContact CB-CG1 4.2Å; R398-V409 HydrophobicContact CG-CG1 3.71Å; V409-P411 WeakPolarHBondContact O-CD 3.49Å; V409-P411 VanDerWaalsContact O-N 3.09Å; V409-F446 HydrophobicContact CG2-CZ 4.36Å |
| 410 | D | 92.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 45 Ų | 45 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -45.6 | 118.8 | 179.5 | -83.4 | -3.5 | 0 | 0 | 0 | 111.6 | T396 F446 C467 W468 | T396-D410 WeakPolarHBondContact CB-O 2.85Å; T396-D410 PolarHBondContact OG1-O 2.99Å; D410-F446 HydrophobicContact CB-CE2 4.41Å; D410-C467 HydrophobicContact CB-CB 4.24Å; D410-C467 WeakPolarHBondContact OD2-CB 3.39Å; D410-C467 PolarHBondContact OD2-N 2.68Å; D410-C467 PolarHBondContact OD2-SG 2.85Å; D410-W468 PolarHBondContact O-NE1 3.04Å |
| 411 | P | 93.8 | Very high | 94.7 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | trans | -64.3 | 149.3 | -177.1 | 18.9 | -27 | 0 | 0 | 0 | 111.5 | Y394 V409 W468 | Y394-P411 HydrophobicContact CD2-CB 3.4Å; Y394-P411 HydrophobicContact CD2-CG 4.43Å; Y394-P411 HydrophobicContact CE2-CB 3.52Å; Y394-P411 HydrophobicContact CE2-CG 4.15Å; V409-P411 WeakPolarHBondContact O-CD 3.49Å; V409-P411 VanDerWaalsContact O-N 3.09Å; P411-W468 PolarHBondContact O-NE1 3.23Å | ||
| 412 | Y | 93.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | trans | -61.5 | 147.8 | 169.4 | -170.5 | -104.2 | 0 | 0 | 0 | 110 | V384 Y394 T396 V414 K416 I430 C444 W468 | V384-Y412 HydrophobicContact CG1-CD2 3.86Å; V384-Y412 HydrophobicContact CG1-CG 4.04Å; Y394-Y412 WeakPolarHBondContact CB-O 3.05Å; Y394-Y412 WeakPolarHBondContact O-CA 3.26Å; Y394-Y412 WeakPolarHBondContact O-CB 3.34Å; Y394-Y412 PolarHBondContact O-N 2.85Å; T396-Y412 PolarHBondContact OG1-N 2.8Å; Y412-V414 VanDerWaalsContact C-N 3.27Å; Y412-V414 HydrophobicContact CD1-CG1 4.12Å; Y412-V414 WeakPolarHBondContact CD1-O 3.42Å; Y412-V414 HydrophobicContact CE1-CG1 3.57Å; Y412-V414 PolarHBondContact O-N 2.75Å; Y412-V414 VanDerWaalsContact O-N 3.14Å; Y412-K416 HydrophobicContact CE1-CB 4.22Å; Y412-K416 HydrophobicContact CE1-CD 3.82Å; Y412-K416 PolarHBondContact OH-NZ 3.01Å; Y412-I430 HydrophobicContact CE2-CB 3.99Å; Y412-I430 HydrophobicContact CE2-CG1 4.23Å; Y412-I430 HydrophobicContact CE2-CG2 3.94Å; Y412-C444 HydrophobicContact CE2-CB 3.64Å; Y412-C444 PolarHBondContact OH-SG 3.39Å; Y412-W468 AromaticContact CD2-CD2 3.93Å; Y412-W468 HydrophobicContact CD2-CD2 3.93Å; Y412-W468 AromaticContact CD2-CE2 3.96Å; Y412-W468 AromaticContact CD2-CE3 3.69Å; Y412-W468 HydrophobicContact CD2-CE3 3.69Å; Y412-W468 AromaticContact CD2-CH2 3.57Å; Y412-W468 HydrophobicContact CD2-CH2 3.57Å; Y412-W468 AromaticContact CD2-CZ2 3.8Å; Y412-W468 HydrophobicContact CD2-CZ2 3.8Å; Y412-W468 AromaticContact CD2-CZ3 3.51Å; Y412-W468 HydrophobicContact CD2-CZ3 3.51Å; Y412-W468 AromaticContact CE2-CE3 3.91Å; Y412-W468 HydrophobicContact CE2-CE3 3.91Å; Y412-W468 HydrophobicContact CE2-CH2 4.14Å; Y412-W468 AromaticContact CE2-CZ3 3.68Å; Y412-W468 HydrophobicContact CE2-CZ3 3.68Å | ||
| 413 | P | 90.6 | Very high | 94.8 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 45% | 0.448 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -68.8 | -14 | -170.3 | -25.1 | 35.8 | 0 | 0 | 0 | 116.6 | W468 | P413-W468 HydrophobicContact CG-CB 4.03Å; P413-W468 HydrophobicContact CG-CG 4.39Å |
| 414 | V | 91.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 30% | 0.297 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -152.3 | 143.8 | -173.9 | 62.4 | 0 | 0 | 0 | 0 | 112.4 | Y394 Y412 K416 T435 | Y394-V414 WeakPolarHBondContact CB-O 3.39Å; Y412-V414 VanDerWaalsContact C-N 3.27Å; Y412-V414 HydrophobicContact CD1-CG1 4.12Å; Y412-V414 WeakPolarHBondContact CD1-O 3.42Å; Y412-V414 HydrophobicContact CE1-CG1 3.57Å; Y412-V414 PolarHBondContact O-N 2.75Å; Y412-V414 VanDerWaalsContact O-N 3.14Å; V414-K416 PolarHBondContact O-N 2.83Å; V414-T435 HydrophobicContact CG2-CG2 4.37Å |
| 415 | N | 92.4 | Very high | 94.8 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | trans | -56.2 | 125.4 | 172 | -81.6 | -20.7 | 0 | 0 | 0 | 110.9 | T392 F393 Y394 | T392-N415 HydrophobicContact CG2-CB 3.83Å; T392-N415 PolarHBondContact O-ND2 2.73Å; T392-N415 PolarHBondContact O-OD1 3.45Å; T392-N415 VanDerWaalsContact O-OD1 3.06Å; F393-N415 WeakPolarHBondContact CA-OD1 3.32Å; Y394-N415 WeakPolarHBondContact CD1-OD1 3.17Å; Y394-N415 PolarHBondContact N-OD1 3.22Å | ||
| 416 | K | 93.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -154.8 | 143.8 | -171.9 | -168 | 176.8 | -79.9 | -166.7 | 0 | 112.4 | A385 G386 T392 F393 Y412 V414 H419 G432 I434 Q442 | A385-K416 HydrophobicContact CB-CB 4.47Å; A385-K416 WeakPolarHBondContact CB-O 3.42Å; G386-K416 WeakPolarHBondContact CA-O 3.28Å; G386-K416 PolarHBondContact N-O 3.15Å; T392-K416 VanDerWaalsContact CG2-N 3.33Å; F393-K416 PolarHBondContact O-N 2.96Å; Y412-K416 HydrophobicContact CE1-CB 4.22Å; Y412-K416 HydrophobicContact CE1-CD 3.82Å; Y412-K416 PolarHBondContact OH-NZ 3.01Å; V414-K416 PolarHBondContact O-N 2.83Å; K416-H419 HydrophobicContact CD-CB 3.83Å; K416-H419 HydrophobicContact CG-CB 4.14Å; K416-H419 WeakPolarHBondContact CG-ND1 3.35Å; K416-H419 PolarHBondContact O-CE1 2.86Å; K416-G432 VanDerWaalsContact CD-O 3.28Å; K416-G432 WeakPolarHBondContact CD-O 3.06Å; K416-G432 VanDerWaalsContact CE-O 3.32Å; K416-G432 WeakPolarHBondContact CE-O 3.29Å; K416-G432 PolarHBondContact NZ-O 3.38Å; K416-I434 WeakPolarHBondContact CA-O 3.5Å; K416-Q442 VanDerWaalsContact NZ-OE1 3.17Å | ||
| 417 | Y | 94.6 | Very high | 94.7 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -145.5 | 166.8 | 171.9 | 68.5 | -91 | 0 | 0 | 0 | 110.8 | E371 R387 T392 H419 G433 I434 | E371-Y417 CarbonylContact O-C 3.47Å; E371-Y417 WeakPolarHBondContact O-CA 3.44Å; E371-Y417 WeakPolarHBondContact OE2-CD2 3.48Å; R387-Y417 HydrophobicContact CB-CD1 4.48Å; R387-Y417 HydrophobicContact CB-CG 4.28Å; R387-Y417 HydrophobicContact CG-CD2 4.35Å; R387-Y417 HydrophobicContact CG-CG 4.1Å; T392-Y417 HydrophobicContact CG2-CD1 3.76Å; Y417-H419 WeakPolarHBondContact CA-ND1 3.16Å; Y417-H419 PolarHBondContact O-N 3.49Å; Y417-H419 VanDerWaalsContact O-N 3.12Å; Y417-G433 CarbonylContact O-C 3.6Å; Y417-G433 WeakPolarHBondContact O-CA 3.07Å; Y417-I434 HydrophobicContact CD1-CB 4.26Å; Y417-I434 HydrophobicContact CD2-CB 4.26Å; Y417-I434 HydrophobicContact CD2-CD1 4.15Å; Y417-I434 HydrophobicContact CE1-CB 3.83Å; Y417-I434 HydrophobicContact CE1-CG2 3.67Å; Y417-I434 HydrophobicContact CE2-CB 3.9Å; Y417-I434 HydrophobicContact CE2-CD1 3.39Å; Y417-I434 HydrophobicContact CE2-CG1 4.19Å; Y417-I434 HydrophobicContact CE2-CG2 4.27Å; Y417-I434 HydrophobicContact CG-CB 4.48Å; Y417-I434 PolarHBondContact N-O 3.44Å; Y417-I434 PolarHBondContact O-N 3.47Å; Y417-I434 WeakPolarHBondContact OH-CG2 3.37Å |
| 418 | G | 92.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 63.2 | 17 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | E371 C479 F480 | E371-G418 PolarHBondContact O-N 3.4Å; G418-C479 CarbonylContact O-C 3.43Å; G418-C479 VanDerWaalsContact O-CA 3.3Å; G418-C479 WeakPolarHBondContact O-CA 3.37Å; G418-C479 WeakPolarHBondContact O-CB 3.36Å; G418-F480 PolarHBondContact O-N 3.36Å |
| 419 | H | 95.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | trans | -83 | 167.7 | 170.4 | 52.6 | -74.8 | 0 | 0 | 0 | 110.8 | A373 V384 K416 Y417 I430 T431 | A373-H419 WeakPolarHBondContact CB-CD2 3.5Å; A373-H419 PolarHBondContact N-NE2 3.49Å; V384-H419 PolarHBondContact O-CE1 2.96Å; V384-H419 PolarHBondContact O-NE2 3.27Å; K416-H419 HydrophobicContact CD-CB 3.83Å; K416-H419 HydrophobicContact CG-CB 4.14Å; K416-H419 WeakPolarHBondContact CG-ND1 3.35Å; K416-H419 PolarHBondContact O-CE1 2.86Å; Y417-H419 WeakPolarHBondContact CA-ND1 3.16Å; Y417-H419 PolarHBondContact O-N 3.49Å; Y417-H419 VanDerWaalsContact O-N 3.12Å; H419-I430 HydrophobicContact CB-CG2 4.18Å; H419-T431 WeakPolarHBondContact CB-O 3.35Å | ||
| 420 | E | 95.1 | Very high | 95 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151.2 | 174.7 | -77.8 | -68.4 | 164.3 | 0 | 0 | 111.1 | I430 T431 H481 K482 M483 | E420-I430 WeakPolarHBondContact O-CA 3.36Å; E420-T431 PolarHBondContact N-O 2.9Å; E420-T431 PolarHBondContact O-N 3.19Å; E420-H481 WeakPolarHBondContact CG-O 3.3Å; E420-K482 WeakPolarHBondContact OE1-CD 3.12Å; E420-K482 WeakPolarHBondContact OE1-CE 3.44Å; E420-K482 IonicContact OE1-NZ 2.78Å; E420-K482 PolarHBondContact OE1-NZ 3.12Å; E420-K482 IonicContact OE2-NZ 3.32Å; E420-M483 HydrophobicContact CB-CB 4.13Å |
| 421 | G | 95.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 33 Ų | 33 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y429 | G421-Y429 CarbonylContact C-O 3.53Å; G421-Y429 WeakPolarHBondContact CA-O 3.4Å |
| 422 | T | 96.4 | Very high | 95.3 | Very high | 23 Ų | 23 | 30 Ų | 30 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.4 | 171 | -157.7 | 0 | 0 | 0 | 0 | 110.5 | Y429 M483 L490 | T422-Y429 PolarHBondContact N-O 3.45Å; T422-Y429 PolarHBondContact O-N 3.08Å; T422-M483 HydrophobicContact CG2-CE 3.73Å; T422-M483 HydrophobicContact CG2-CG 3.91Å; T422-M483 HydrophobicContact CG2-SD 4.11Å; T422-M483 VanDerWaalsContact N-CE 3.34Å; T422-L490 HydrophobicContact CG2-CD2 3.48Å; T422-L490 VanDerWaalsContact CG2-CD2 3.48Å |
| 423 | V | 97.3 | Very high | 95.3 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.6 | -178.4 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | V376 I377 K427 L428 S485 | V376-V423 WeakPolarHBondContact O-CG2 3.44Å; I377-V423 HydrophobicContact CG1-CG1 4.04Å; I377-V423 HydrophobicContact CG1-CG2 4.03Å; V423-K427 VanDerWaalsContact CA-O 3.32Å; V423-K427 WeakPolarHBondContact CA-O 3.19Å; V423-L428 HydrophobicContact CG2-CB 4.37Å; V423-L428 HydrophobicContact CG2-CD1 4.08Å; V423-S485 WeakPolarHBondContact O-CB 3.31Å; V423-S485 PolarHBondContact O-OG 3.06Å |
| 424 | L | 97.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 27 Ų | 27 | 14% | 0.141 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 128.4 | 173.7 | 177.3 | 63.8 | 0 | 0 | 0 | 108.9 | N426 K427 Y429 G488 L490 P517 | L424-N426 VanDerWaalsContact C-N 3.34Å; L424-N426 PolarHBondContact O-N 3.15Å; L424-K427 PolarHBondContact N-O 3.11Å; L424-K427 PolarHBondContact O-N 3.14Å; L424-Y429 HydrophobicContact CB-CD2 4.15Å; L424-Y429 HydrophobicContact CB-CE2 3.98Å; L424-G488 WeakPolarHBondContact CD2-O 3.49Å; L424-L490 HydrophobicContact CB-CD2 3.77Å; L424-L490 HydrophobicContact CD2-CD2 3.58Å; L424-L490 HydrophobicContact CD2-CG 3.87Å; L424-L490 HydrophobicContact CG-CD2 4.29Å; L424-P517 HydrophobicContact CD2-CB 4.45Å; L424-P517 HydrophobicContact CD2-CG 3.85Å |
| 425 | G | 95.3 | Very high | 95.3 | Very high | 66 Ų | 66 | 25.8 Ų | 25.8 | 68% | 0.68 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 41.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | K427 | G425-K427 PolarHBondContact O-N 3.01Š|
| 426 | N | 95.6 | Very high | 94.8 | Very high | 117 Ų | 117 | 28.1 Ų | 28.1 | 63% | 0.626 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 21.4 | -175.3 | -65.1 | -17.8 | 0 | 0 | 0 | 115.3 | I377 L424 | I377-N426 HydrophobicContact CG2-CB 4.15Å; L424-N426 VanDerWaalsContact C-N 3.34Å; L424-N426 PolarHBondContact O-N 3.15Å |
| 427 | K | 97.3 | Very high | 93.9 | Very high | 67 Ų | 67 | 29.6 Ų | 29.6 | 29% | 0.291 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144.5 | 174.5 | -55.2 | -174.2 | -166.8 | -154.1 | 0 | 110.2 | V423 L424 G425 Y429 V445 F446 D447 | V423-K427 VanDerWaalsContact CA-O 3.32Å; V423-K427 WeakPolarHBondContact CA-O 3.19Å; L424-K427 PolarHBondContact N-O 3.11Å; L424-K427 PolarHBondContact O-N 3.14Å; G425-K427 PolarHBondContact O-N 3.01Å; K427-Y429 HydrophobicContact CB-CD2 4.49Å; K427-Y429 HydrophobicContact CB-CE2 3.91Å; K427-V445 HydrophobicContact CB-CG2 3.55Å; K427-V445 HydrophobicContact CD-CG2 4Å; K427-V445 HydrophobicContact CG-CG2 4.36Å; K427-F446 WeakPolarHBondContact CA-O 3.24Å; K427-F446 WeakPolarHBondContact CB-O 3.36Å; K427-D447 HydrophobicContact CD-CB 4.13Å; K427-D447 WeakPolarHBondContact CE-OD2 3.42Å; K427-D447 HydrophobicContact CG-CB 4.32Å; K427-D447 IonicContact NZ-OD2 2.76Å; K427-D447 PolarHBondContact NZ-OD2 3.02Å |
| 428 | L | 98.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.6 | 178.8 | 172.5 | 56.6 | 0 | 0 | 0 | 109.4 | I377 V384 V423 I430 V445 F446 | I377-L428 HydrophobicContact CD1-CB 4Å; V384-L428 HydrophobicContact CG2-CD2 3.63Å; V423-L428 HydrophobicContact CG2-CB 4.37Å; V423-L428 HydrophobicContact CG2-CD1 4.08Å; L428-I430 HydrophobicContact CD1-CD1 4.05Å; L428-I430 HydrophobicContact CD2-CD1 4.35Å; L428-I430 HydrophobicContact CG-CD1 4.01Å; L428-I430 HydrophobicContact CG-CG1 4.47Å; L428-V445 CarbonylContact O-C 3.59Å; L428-V445 WeakPolarHBondContact O-CA 3.41Å; L428-F446 HydrophobicContact CB-CB 4.25Å; L428-F446 PolarHBondContact N-O 2.82Å; L428-F446 PolarHBondContact O-N 3.27Å |
| 429 | Y | 98.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.1 | 176.4 | -69.4 | -100.9 | 0 | 0 | 0 | 109.5 | G421 T422 L424 K427 C444 V445 M483 L490 Y515 | G421-Y429 CarbonylContact C-O 3.53Å; G421-Y429 WeakPolarHBondContact CA-O 3.4Å; T422-Y429 PolarHBondContact N-O 3.45Å; T422-Y429 PolarHBondContact O-N 3.08Å; L424-Y429 HydrophobicContact CB-CD2 4.15Å; L424-Y429 HydrophobicContact CB-CE2 3.98Å; K427-Y429 HydrophobicContact CB-CD2 4.49Å; K427-Y429 HydrophobicContact CB-CE2 3.91Å; Y429-C444 WeakPolarHBondContact CA-O 3.38Å; Y429-V445 HydrophobicContact CD1-CB 3.88Å; Y429-V445 HydrophobicContact CD1-CG2 3.95Å; Y429-V445 HydrophobicContact CD2-CG2 4.06Å; Y429-V445 HydrophobicContact CE1-CB 3.82Å; Y429-V445 HydrophobicContact CE1-CG2 3.71Å; Y429-V445 HydrophobicContact CE2-CG2 3.81Å; Y429-V445 HydrophobicContact CG-CB 4.39Å; Y429-V445 HydrophobicContact CG-CG2 4.13Å; Y429-M483 WeakPolarHBondContact O-CE 3.47Å; Y429-L490 HydrophobicContact CD1-CD1 3.62Å; Y429-L490 HydrophobicContact CD2-CD1 4.03Å; Y429-L490 HydrophobicContact CE1-CD1 4.27Å; Y429-L490 HydrophobicContact CG-CD1 3.48Å; Y429-L490 VanDerWaalsContact CG-CD1 3.48Å; Y429-Y515 HydrophobicContact CD1-CE1 4.39Å; Y429-Y515 AromaticContact CE1-CE1 3.91Å; Y429-Y515 HydrophobicContact CE1-CE1 3.91Å |
| 430 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.7 | 177.3 | -58.1 | -59.1 | 0 | 0 | 0 | 109 | A373 V384 Y412 H419 E420 L428 V443 C444 W468 | A373-I430 HydrophobicContact CB-CD1 3.56Å; V384-I430 HydrophobicContact CB-CD1 4.34Å; V384-I430 HydrophobicContact CG1-CD1 4.41Å; V384-I430 HydrophobicContact CG1-CG1 4.3Å; V384-I430 HydrophobicContact CG2-CD1 4.33Å; Y412-I430 HydrophobicContact CE2-CB 3.99Å; Y412-I430 HydrophobicContact CE2-CG1 4.23Å; Y412-I430 HydrophobicContact CE2-CG2 3.94Å; H419-I430 HydrophobicContact CB-CG2 4.18Å; E420-I430 WeakPolarHBondContact O-CA 3.36Å; L428-I430 HydrophobicContact CD1-CD1 4.05Å; L428-I430 HydrophobicContact CD2-CD1 4.35Å; L428-I430 HydrophobicContact CG-CD1 4.01Å; L428-I430 HydrophobicContact CG-CG1 4.47Å; I430-V443 WeakPolarHBondContact O-CA 3.32Å; I430-C444 PolarHBondContact N-O 2.94Å; I430-C444 PolarHBondContact O-N 3.34Å; I430-W468 HydrophobicContact CB-CZ3 4.43Å; I430-W468 HydrophobicContact CG1-CH2 3.76Å; I430-W468 HydrophobicContact CG1-CZ3 3.69Å |
| 431 | T | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.5 | -176.9 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | H419 E420 V443 M474 H481 M483 W522 | H419-T431 WeakPolarHBondContact CB-O 3.35Å; E420-T431 PolarHBondContact N-O 2.9Å; E420-T431 PolarHBondContact O-N 3.19Å; T431-V443 HydrophobicContact CG2-CG1 4.07Å; T431-V443 HydrophobicContact CG2-CG2 4.13Å; T431-M474 HydrophobicContact CG2-SD 4.38Å; T431-H481 PolarHBondContact O-CE1 2.92Å; T431-H481 PolarHBondContact O-NE2 3.45Å; T431-H481 PolarHBondContact OG1-NE2 2.84Å; T431-M483 HydrophobicContact CG2-CE 4.03Å; T431-M483 HydrophobicContact CG2-SD 3.45Å; T431-M483 WeakPolarHBondContact CG2-SD 3.42Å; T431-M483 PolarHBondContact OG1-SD 2.92Å; T431-W522 HydrophobicContact CG2-CH2 4.31Å; T431-W522 HydrophobicContact CG2-CZ2 4.33Å |
| 432 | G | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | 67 | -136.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K416 S440 Q442 M474 R478 | K416-G432 VanDerWaalsContact CD-O 3.28Å; K416-G432 WeakPolarHBondContact CD-O 3.06Å; K416-G432 VanDerWaalsContact CE-O 3.32Å; K416-G432 WeakPolarHBondContact CE-O 3.29Å; K416-G432 PolarHBondContact NZ-O 3.38Å; G432-S440 WeakPolarHBondContact CA-O 3.45Å; G432-Q442 PolarHBondContact N-O 2.67Å; G432-M474 VanDerWaalsContact CA-CE 3.44Å; G432-R478 CarbonylContact C-O 3.59Å; G432-R478 WeakPolarHBondContact CA-O 3.21Å | ||
| 433 | G | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | 88.9 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y417 T439 S440 R478 | Y417-G433 CarbonylContact O-C 3.6Å; Y417-G433 WeakPolarHBondContact O-CA 3.07Å; G433-T439 CarbonylContact O-C 3.59Å; G433-T439 VanDerWaalsContact O-CA 3.29Å; G433-T439 WeakPolarHBondContact O-CA 3.49Å; G433-S440 PolarHBondContact O-N 2.85Å; G433-R478 PolarHBondContact N-O 2.99Å | ||
| 434 | I | 92.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -96.9 | 134.9 | 175.4 | -60.9 | 163.4 | 0 | 0 | 0 | 108.8 | K416 Y417 T439 C479 F480 L500 | K416-I434 WeakPolarHBondContact CA-O 3.5Å; Y417-I434 HydrophobicContact CD1-CB 4.26Å; Y417-I434 HydrophobicContact CD2-CB 4.26Å; Y417-I434 HydrophobicContact CD2-CD1 4.15Å; Y417-I434 HydrophobicContact CE1-CB 3.83Å; Y417-I434 HydrophobicContact CE1-CG2 3.67Å; Y417-I434 HydrophobicContact CE2-CB 3.9Å; Y417-I434 HydrophobicContact CE2-CD1 3.39Å; Y417-I434 HydrophobicContact CE2-CG1 4.19Å; Y417-I434 HydrophobicContact CE2-CG2 4.27Å; Y417-I434 HydrophobicContact CG-CB 4.48Å; Y417-I434 PolarHBondContact N-O 3.44Å; Y417-I434 PolarHBondContact O-N 3.47Å; Y417-I434 WeakPolarHBondContact OH-CG2 3.37Å; I434-T439 HydrophobicContact CG1-CG2 4.06Å; I434-C479 HydrophobicContact CD1-CB 4.11Å; I434-C479 HydrophobicContact CG1-CB 3.67Å; I434-F480 HydrophobicContact CD1-CE2 4.07Å; I434-F480 HydrophobicContact CD1-CZ 4.26Å; I434-L500 HydrophobicContact CG2-CD1 4.05Å |
| 435 | T | 89.4 | Confident | 93.5 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | trans | -117.7 | 179.3 | 168.8 | 61.1 | 0 | 0 | 0 | 0 | 108.5 | V414 S437 S438 | V414-T435 HydrophobicContact CG2-CG2 4.37Å; T435-S437 PolarHBondContact O-N 3.34Å; T435-S438 PolarHBondContact N-O 3.43Å; T435-S438 PolarHBondContact O-N 2.71Å; T435-S438 PolarHBondContact OG1-O 3.37Å; T435-S438 VanDerWaalsContact OG1-O 3.09Å | ||
| 436 | S | 80.8 | Confident | 93.6 | Very high | 120 Ų | 120 | 27.8 Ų | 27.8 | 84% | 0.839 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -54.7 | -17.5 | -172.6 | 58.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 437 | S | 76.1 | Confident | 93.6 | Very high | 31 Ų | 31 | 22.8 Ų | 22.8 | 22% | 0.217 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -116.9 | -31.4 | -178 | 57.3 | 0 | 0 | 0 | 0 | 116 | T435 L500 | T435-S437 PolarHBondContact O-N 3.34Å; S437-L500 WeakPolarHBondContact O-CB 3.26Å; S437-L500 PolarHBondContact O-N 3.22Å |
| 438 | S | 88.1 | Confident | 93.4 | Very high | 36 Ų | 36 | 20.8 Ų | 20.8 | 25% | 0.252 | 12% | 0.123 | S | C | . | . | B | Isolated β-bridge | trans | -172 | 174.7 | -172.1 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | T435 V498 | T435-S438 PolarHBondContact N-O 3.43Å; T435-S438 PolarHBondContact O-N 2.71Å; T435-S438 PolarHBondContact OG1-O 3.37Å; T435-S438 VanDerWaalsContact OG1-O 3.09Å; S438-V498 WeakPolarHBondContact CA-O 3.35Å; S438-V498 WeakPolarHBondContact CB-O 3.08Å |
| 439 | T | 92.3 | Very high | 93 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 152.9 | 163.1 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | G433 I434 C479 C497 V498 | G433-T439 CarbonylContact O-C 3.59Å; G433-T439 VanDerWaalsContact O-CA 3.29Å; G433-T439 WeakPolarHBondContact O-CA 3.49Å; I434-T439 HydrophobicContact CG1-CG2 4.06Å; T439-C479 HydrophobicContact CG2-CB 3.97Å; T439-C497 PolarHBondContact OG1-SG 3.04Å; T439-V498 HydrophobicContact CG2-CB 3.98Å; T439-V498 HydrophobicContact CG2-CG2 4.29Å; T439-V498 VanDerWaalsContact CG2-N 3.31Å; T439-V498 PolarHBondContact N-O 3.16Å; T439-V498 PolarHBondContact OG1-N 3.41Å |
| 440 | S | 93.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -112.5 | 152.8 | -174.4 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | G432 G433 Q442 A477 R478 | G432-S440 WeakPolarHBondContact CA-O 3.45Å; G433-S440 PolarHBondContact O-N 2.85Å; S440-Q442 WeakPolarHBondContact OG-CB 3.21Å; S440-Q442 PolarHBondContact OG-N 2.71Å; S440-A477 WeakPolarHBondContact O-CA 3.47Å; S440-R478 PolarHBondContact O-N 3.4Å |
| 441 | K | 95.3 | Very high | 91.7 | Very high | 92 Ų | 92 | 30.9 Ų | 30.9 | 40% | 0.4 | 18% | 0.18 | S | C | . | . | trans | -98 | -1.4 | 166.7 | -57 | -171.8 | 179.9 | -165.9 | 0 | 112.5 | K473 M474 N475 A477 | K441-K473 HydrophobicContact CB-CB 4.06Å; K441-K473 WeakPolarHBondContact O-CA 3.28Å; K441-M474 WeakPolarHBondContact CD-O 3.44Å; K441-M474 PolarHBondContact O-N 2.76Å; K441-N475 VanDerWaalsContact CE-O 3.32Å; K441-N475 WeakPolarHBondContact CE-O 3.34Å; K441-N475 PolarHBondContact NZ-O 3.1Å; K441-A477 HydrophobicContact CG-CB 3.67Å | ||
| 442 | Q | 95.7 | Very high | 90.4 | Very high | 42 Ų | 42 | 33.9 Ų | 33.9 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | trans | -65.7 | 140.4 | -169.6 | -173.7 | -179 | 27 | 0 | 0 | 111 | K416 G432 S440 C444 N470 | K416-Q442 VanDerWaalsContact NZ-OE1 3.17Å; G432-Q442 PolarHBondContact N-O 2.67Å; S440-Q442 WeakPolarHBondContact OG-CB 3.21Å; S440-Q442 PolarHBondContact OG-N 2.71Å; Q442-C444 PolarHBondContact NE2-SG 2.97Å; Q442-N470 PolarHBondContact NE2-OD1 2.78Å | ||
| 443 | V | 97.3 | Very high | 89 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125 | 171.3 | -174.7 | 0 | 0 | 0 | 0 | 107 | I430 T431 K471 C472 M474 W522 | I430-V443 WeakPolarHBondContact O-CA 3.32Å; T431-V443 HydrophobicContact CG2-CG1 4.07Å; T431-V443 HydrophobicContact CG2-CG2 4.13Å; V443-K471 HydrophobicContact CB-CB 4.16Å; V443-K471 HydrophobicContact CG1-CB 3.96Å; V443-K471 PolarHBondContact O-N 2.84Å; V443-C472 WeakPolarHBondContact CG2-O 3.34Å; V443-M474 HydrophobicContact CG2-CG 3.91Å; V443-W522 HydrophobicContact CG2-CZ2 3.68Å |
| 444 | C | 96.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.9 | 172.4 | -61.2 | 0 | 0 | 0 | 0 | 109.2 | Y412 Y429 I430 Q442 W468 E469 N470 | Y412-C444 HydrophobicContact CE2-CB 3.64Å; Y412-C444 PolarHBondContact OH-SG 3.39Å; Y429-C444 WeakPolarHBondContact CA-O 3.38Å; I430-C444 PolarHBondContact N-O 2.94Å; I430-C444 PolarHBondContact O-N 3.34Å; Q442-C444 PolarHBondContact NE2-SG 2.97Å; C444-W468 HydrophobicContact CB-CE3 3.89Å; C444-W468 HydrophobicContact CB-CZ3 4.23Å; C444-E469 CarbonylContact C-O 3.58Å; C444-E469 VanDerWaalsContact CA-O 3.29Å; C444-E469 WeakPolarHBondContact CA-O 3.32Å; C444-N470 PolarHBondContact SG-OD1 3.31Å; C444-N470 VanDerWaalsContact SG-OD1 3.41Å |
| 445 | V | 97.3 | Very high | 85.8 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.4 | 173.1 | 63.7 | 0 | 0 | 0 | 0 | 109.4 | K427 L428 Y429 W468 E469 K471 | K427-V445 HydrophobicContact CB-CG2 3.55Å; K427-V445 HydrophobicContact CD-CG2 4Å; K427-V445 HydrophobicContact CG-CG2 4.36Å; L428-V445 CarbonylContact O-C 3.59Å; L428-V445 WeakPolarHBondContact O-CA 3.41Å; Y429-V445 HydrophobicContact CD1-CB 3.88Å; Y429-V445 HydrophobicContact CD1-CG2 3.95Å; Y429-V445 HydrophobicContact CD2-CG2 4.06Å; Y429-V445 HydrophobicContact CE1-CB 3.82Å; Y429-V445 HydrophobicContact CE1-CG2 3.71Å; Y429-V445 HydrophobicContact CE2-CG2 3.81Å; Y429-V445 HydrophobicContact CG-CB 4.39Å; Y429-V445 HydrophobicContact CG-CG2 4.13Å; V445-W468 CarbonylContact O-C 3.55Å; V445-W468 WeakPolarHBondContact O-CA 3.28Å; V445-E469 HydrophobicContact CG1-CB 3.88Å; V445-E469 PolarHBondContact N-O 2.75Å; V445-E469 PolarHBondContact O-N 3.12Å; V445-K471 HydrophobicContact CB-CG 4.43Å; V445-K471 HydrophobicContact CG1-CD 4.38Å; V445-K471 HydrophobicContact CG1-CG 3.95Å |
| 446 | F | 96.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.6 | 170.2 | 178.6 | -102.6 | 0 | 0 | 0 | 109.5 | Y382 V409 D410 K427 L428 P448 C467 W468 | Y382-F446 HydrophobicContact CD1-CD1 4.44Å; Y382-F446 AromaticContact CD1-CE1 3.79Å; Y382-F446 HydrophobicContact CD1-CE1 3.79Å; Y382-F446 HydrophobicContact CD1-CZ 4.34Å; Y382-F446 HydrophobicContact CE1-CD1 4.39Å; Y382-F446 AromaticContact CE1-CE1 3.41Å; Y382-F446 HydrophobicContact CE1-CE1 3.41Å; Y382-F446 VanDerWaalsContact CE1-CE1 3.41Å; Y382-F446 AromaticContact CE1-CZ 3.9Å; Y382-F446 HydrophobicContact CE1-CZ 3.9Å; Y382-F446 AromaticContact CZ-CE1 3.97Å; V409-F446 HydrophobicContact CG2-CZ 4.36Å; D410-F446 HydrophobicContact CB-CE2 4.41Å; K427-F446 WeakPolarHBondContact CA-O 3.24Å; K427-F446 WeakPolarHBondContact CB-O 3.36Å; L428-F446 HydrophobicContact CB-CB 4.25Å; L428-F446 PolarHBondContact N-O 2.82Å; L428-F446 PolarHBondContact O-N 3.27Å; F446-P448 HydrophobicContact CE1-CB 3.78Å; F446-P448 HydrophobicContact CE1-CG 4.18Å; F446-P448 HydrophobicContact CZ-CB 4.27Å; F446-C467 WeakPolarHBondContact CA-O 3.31Å; F446-C467 HydrophobicContact CD2-CB 3.58Å; F446-C467 HydrophobicContact CE2-CB 3.26Å; F446-C467 HydrophobicContact CZ-CB 4.08Å; F446-W468 HydrophobicContact CB-CD2 3.9Å; F446-W468 HydrophobicContact CB-CE3 3.69Å; F446-W468 HydrophobicContact CB-CH2 3.57Å; F446-W468 HydrophobicContact CB-CZ2 3.79Å; F446-W468 HydrophobicContact CB-CZ3 3.53Å; F446-W468 AromaticContact CD2-CD1 3.95Å; F446-W468 AromaticContact CD2-CD2 3.9Å; F446-W468 HydrophobicContact CD2-CD2 3.9Å; F446-W468 AromaticContact CD2-CE2 3.49Å; F446-W468 VanDerWaalsContact CD2-CE2 3.49Å; F446-W468 HydrophobicContact CD2-CG 4.19Å; F446-W468 HydrophobicContact CD2-CH2 4.5Å; F446-W468 AromaticContact CD2-CZ2 3.84Å; F446-W468 HydrophobicContact CD2-CZ2 3.84Å; F446-W468 AromaticContact CD2-NE1 3.53Å; F446-W468 HydrophobicContact CG-CD2 4.38Å; F446-W468 HydrophobicContact CG-CH2 4.27Å; F446-W468 HydrophobicContact CG-CZ2 4.02Å |
| 447 | D | 95.2 | Very high | 82.5 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.064 | 31% | 0.311 | C | S | . | . | trans | -119.4 | 98.6 | 178.2 | -170.9 | -13.8 | 0 | 0 | 0 | 109.6 | K427 S449 K450 C467 | K427-D447 HydrophobicContact CD-CB 4.13Å; K427-D447 WeakPolarHBondContact CE-OD2 3.42Å; K427-D447 HydrophobicContact CG-CB 4.32Å; K427-D447 IonicContact NZ-OD2 2.76Å; K427-D447 PolarHBondContact NZ-OD2 3.02Å; D447-S449 VanDerWaalsContact CG-OG 3.31Å; D447-S449 PolarHBondContact O-N 2.71Å; D447-S449 VanDerWaalsContact O-N 3.15Å; D447-S449 WeakPolarHBondContact OD1-CB 3.37Å; D447-S449 PolarHBondContact OD1-N 3.19Å; D447-S449 VanDerWaalsContact OD1-N 3.12Å; D447-S449 PolarHBondContact OD1-OG 2.83Å; D447-K450 HydrophobicContact CB-CD 4.18Å; D447-K450 HydrophobicContact CB-CG 4.21Å; D447-K450 PolarHBondContact O-N 2.82Å; D447-C467 PolarHBondContact N-O 3.22Å | ||
| 448 | P | 92.3 | Very high | 81.4 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -65.4 | -16.6 | -178 | 25 | -31.9 | 0 | 0 | 0 | 112.9 | I377 F446 K450 E451 | I377-P448 HydrophobicContact CD1-CG 4.02Å; I377-P448 HydrophobicContact CG2-CG 4.08Å; F446-P448 HydrophobicContact CE1-CB 3.78Å; F446-P448 HydrophobicContact CE1-CG 4.18Å; F446-P448 HydrophobicContact CZ-CB 4.27Å; P448-K450 PolarHBondContact O-N 2.74Å; P448-E451 VanDerWaalsContact O-CB 3.29Å; P448-E451 WeakPolarHBondContact O-CB 3.16Å; P448-E451 PolarHBondContact O-N 2.92Å |
| 449 | S | 90.7 | Very high | 79.9 | Confident | 91 Ų | 91 | 73.4 Ų | 73.4 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -68.6 | -15.8 | 177.4 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | D447 | D447-S449 VanDerWaalsContact CG-OG 3.31Å; D447-S449 PolarHBondContact O-N 2.71Å; D447-S449 VanDerWaalsContact O-N 3.15Å; D447-S449 WeakPolarHBondContact OD1-CB 3.37Å; D447-S449 PolarHBondContact OD1-N 3.19Å; D447-S449 VanDerWaalsContact OD1-N 3.12Å; D447-S449 PolarHBondContact OD1-OG 2.83Å |
| 450 | K | 86.1 | Confident | 78.1 | Confident | 59 Ų | 59 | 84.7 Ų | 84.7 | 26% | 0.257 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -86.4 | -8.3 | 176.7 | -60.5 | -176.1 | -176.7 | 179.6 | 0 | 113.1 | D447 P448 G452 T453 T465 E469 | D447-K450 HydrophobicContact CB-CD 4.18Å; D447-K450 HydrophobicContact CB-CG 4.21Å; D447-K450 PolarHBondContact O-N 2.82Å; P448-K450 PolarHBondContact O-N 2.74Å; K450-G452 PolarHBondContact O-N 3.33Å; K450-T453 PolarHBondContact O-N 3.48Å; K450-T453 VanDerWaalsContact O-N 3.13Å; K450-T453 PolarHBondContact O-OG1 2.78Å; K450-T465 PolarHBondContact O-OG1 3.5Å; K450-E469 IonicContact NZ-OE2 2.88Å; K450-E469 PolarHBondContact NZ-OE2 3.22Å |
| 451 | E | 81.4 | Confident | 76.2 | Confident | 80 Ų | 80 | 88.7 Ų | 88.7 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 127.2 | -178.1 | -165 | 176.6 | 165 | 0 | 0 | 110.4 | R398 P448 T453 C467 | R398-E451 IonicContact CZ-OE1 3.44Å; R398-E451 IonicContact CZ-OE2 3.52Å; R398-E451 IonicContact NH1-OE1 2.79Å; R398-E451 PolarHBondContact NH1-OE1 2.79Å; R398-E451 IonicContact NH1-OE2 3.55Å; R398-E451 PolarHBondContact NH1-OE2 3.35Å; R398-E451 IonicContact NH2-OE1 3.51Å; P448-E451 VanDerWaalsContact O-CB 3.29Å; P448-E451 WeakPolarHBondContact O-CB 3.16Å; P448-E451 PolarHBondContact O-N 2.92Å; E451-T453 PolarHBondContact O-N 2.87Å; E451-C467 VanDerWaalsContact CA-SG 3.54Å |
| 452 | G | 70.5 | Confident | 74.1 | Confident | 63 Ų | 63 | 92.9 Ų | 92.9 | 65% | 0.649 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | K450 | K450-G452 PolarHBondContact O-N 3.33Š|
| 453 | T | 67.4 | Low | 72.2 | Confident | 63 Ų | 63 | 94.7 Ų | 94.7 | 39% | 0.387 | 47% | 0.474 | S | S | . | . | trans | -74.8 | 138.2 | 172.6 | 66 | 0 | 0 | 0 | 0 | 111.2 | K450 E451 T465 | K450-T453 PolarHBondContact O-N 3.48Å; K450-T453 VanDerWaalsContact O-N 3.13Å; K450-T453 PolarHBondContact O-OG1 2.78Å; E451-T453 PolarHBondContact O-N 2.87Å; T453-T465 PolarHBondContact O-N 3.08Å; T453-T465 PolarHBondContact O-OG1 3.26Å; T453-T465 PolarHBondContact OG1-OG1 3.42Å | ||
| 454 | V | 61.1 | Low | 70.4 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 109.7 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | Q456 | V454-Q456 PolarHBondContact O-N 2.73Å |
| 455 | E | 57.5 | Low | 68.7 | Low | 123 Ų | 123 | 100.5 Ų | 100.5 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 111.4 | 169.9 | -86.2 | -179 | -170.2 | 0 | 0 | 109.6 | R457 T465 | E455-R457 PolarHBondContact O-N 2.9Å; E455-R457 VanDerWaalsContact O-N 3.13Å; E455-T465 HydrophobicContact CB-CG2 3.93Å; E455-T465 HydrophobicContact CG-CG2 3.46Å; E455-T465 VanDerWaalsContact CG-CG2 3.46Å |
| 456 | Q | 49.1 | Very low | 68 | Low | 191 Ų | 191 | 104.3 Ų | 104.3 | 89% | 0.893 | 53% | 0.529 | S | S | * | . | trans | -74.7 | 97.8 | 168.6 | -74.7 | -168.8 | 0.6 | 0 | 0 | 109.8 | V454 | V454-Q456 PolarHBondContact O-N 2.73Š| ||
| 457 | R | 51.4 | Low | 67.7 | Low | 202 Ų | 202 | 104.3 Ų | 104.3 | 76% | 0.762 | 53% | 0.529 | S | S | * | . | trans | -98.7 | 135.5 | 159.4 | -110.3 | 175.2 | 158.1 | 164.8 | -5.4 | 110 | E455 | E455-R457 PolarHBondContact O-N 2.9Å; E455-R457 VanDerWaalsContact O-N 3.13Å | ||
| 458 | T | 53.8 | Low | 67.7 | Low | 136 Ų | 136 | 104.4 Ų | 104.4 | 83% | 0.834 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.8 | 127.2 | -170.2 | 40 | 0 | 0 | 0 | 0 | 117 | R460 | T458-R460 PolarHBondContact O-N 3.34Š|
| 459 | R | 56.1 | Low | 67.8 | Low | 248 Ų | 248 | 106.7 Ų | 106.7 | 94% | 0.936 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 26 | 67.9 | 159 | -64.9 | -175 | 178.1 | 176.5 | 0.3 | 116.8 | ||
| 460 | R | 55.4 | Low | 68 | Low | 244 Ų | 244 | 107.1 Ų | 107.1 | 92% | 0.921 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 169.8 | 2.1 | 130.1 | -94.7 | 174.2 | 175.6 | 176.6 | -1.1 | 117.4 | T458 | T458-R460 PolarHBondContact O-N 3.34Š|
| 461 | T | 54.1 | Low | 68.5 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 63% | 0.632 | 53% | 0.53 | S | S | * | . | trans | -139.7 | 119.4 | 173.5 | 44.2 | 0 | 0 | 0 | 0 | 111.5 | V463 | T461-V463 PolarHBondContact O-N 2.94Š| ||
| 462 | Q | 50.7 | Low | 69.3 | Low | 180 Ų | 180 | 104.9 Ų | 104.9 | 84% | 0.841 | 53% | 0.526 | S | S | * | . | trans | -68.6 | 122.8 | 161.9 | -77.4 | -179.4 | -24 | 0 | 0 | 107.6 | ||||
| 463 | V | 55.5 | Low | 70.6 | Confident | 80 Ų | 80 | 108.8 Ų | 108.8 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.7 | 172.7 | -177.7 | 0 | 0 | 0 | 0 | 106.7 | T461 | T461-V463 PolarHBondContact O-N 2.94Å |
| 464 | V | 58.6 | Low | 72 | Confident | 107 Ų | 107 | 106 Ų | 106 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 126.4 | 167.4 | -179.8 | 0 | 0 | 0 | 0 | 106.6 | N466 | V464-N466 PolarHBondContact O-N 3.43Å |
| 465 | T | 61.9 | Low | 73.7 | Confident | 14 Ų | 14 | 105 Ų | 105 | 9% | 0.086 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 132.9 | 179.5 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | K450 T453 E455 | K450-T465 PolarHBondContact O-OG1 3.5Å; T453-T465 PolarHBondContact O-N 3.08Å; T453-T465 PolarHBondContact O-OG1 3.26Å; T453-T465 PolarHBondContact OG1-OG1 3.42Å; E455-T465 HydrophobicContact CB-CG2 3.93Å; E455-T465 HydrophobicContact CG-CG2 3.46Å; E455-T465 VanDerWaalsContact CG-CG2 3.46Å |
| 466 | N | 81.6 | Confident | 75.5 | Confident | 83 Ų | 83 | 104.2 Ų | 104.2 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 130.6 | 169.2 | -174.2 | -11.7 | 0 | 0 | 0 | 109.2 | V464 W468 | V464-N466 PolarHBondContact O-N 3.43Å; N466-W468 PolarHBondContact O-N 2.9Å; N466-W468 WeakPolarHBondContact OD1-CB 3.5Å; N466-W468 PolarHBondContact OD1-N 2.81Å |
| 467 | C | 91.1 | Very high | 77.6 | Confident | 1 Ų | 1 | 95.9 Ų | 95.9 | 1% | 0.007 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -68.3 | -14.1 | 176 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | D410 F446 D447 E451 | D410-C467 HydrophobicContact CB-CB 4.24Å; D410-C467 WeakPolarHBondContact OD2-CB 3.39Å; D410-C467 PolarHBondContact OD2-N 2.68Å; D410-C467 PolarHBondContact OD2-SG 2.85Å; F446-C467 WeakPolarHBondContact CA-O 3.31Å; F446-C467 HydrophobicContact CD2-CB 3.58Å; F446-C467 HydrophobicContact CE2-CB 3.26Å; F446-C467 HydrophobicContact CZ-CB 4.08Å; D447-C467 PolarHBondContact N-O 3.22Å; E451-C467 VanDerWaalsContact CA-SG 3.54Å |
| 468 | W | 94.6 | Very high | 79.6 | Confident | 15 Ų | 15 | 86.3 Ų | 86.3 | 6% | 0.057 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 131.4 | 177 | -66.3 | 96 | 0 | 0 | 0 | 113.1 | V384 T396 D410 P411 Y412 P413 I430 C444 V445 F446 N466 | V384-W468 HydrophobicContact CB-CH2 4.47Å; V384-W468 HydrophobicContact CG1-CH2 3.67Å; V384-W468 HydrophobicContact CG1-CZ2 3.83Å; V384-W468 HydrophobicContact CG2-CH2 3.93Å; V384-W468 HydrophobicContact CG2-CZ2 4.11Å; T396-W468 HydrophobicContact CG2-CZ2 4.33Å; D410-W468 PolarHBondContact O-NE1 3.04Å; P411-W468 PolarHBondContact O-NE1 3.23Å; Y412-W468 AromaticContact CD2-CD2 3.93Å; Y412-W468 HydrophobicContact CD2-CD2 3.93Å; Y412-W468 AromaticContact CD2-CE2 3.96Å; Y412-W468 AromaticContact CD2-CE3 3.69Å; Y412-W468 HydrophobicContact CD2-CE3 3.69Å; Y412-W468 AromaticContact CD2-CH2 3.57Å; Y412-W468 HydrophobicContact CD2-CH2 3.57Å; Y412-W468 AromaticContact CD2-CZ2 3.8Å; Y412-W468 HydrophobicContact CD2-CZ2 3.8Å; Y412-W468 AromaticContact CD2-CZ3 3.51Å; Y412-W468 HydrophobicContact CD2-CZ3 3.51Å; Y412-W468 AromaticContact CE2-CE3 3.91Å; Y412-W468 HydrophobicContact CE2-CE3 3.91Å; Y412-W468 HydrophobicContact CE2-CH2 4.14Å; Y412-W468 AromaticContact CE2-CZ3 3.68Å; Y412-W468 HydrophobicContact CE2-CZ3 3.68Å; P413-W468 HydrophobicContact CG-CB 4.03Å; P413-W468 HydrophobicContact CG-CG 4.39Å; I430-W468 HydrophobicContact CB-CZ3 4.43Å; I430-W468 HydrophobicContact CG1-CH2 3.76Å; I430-W468 HydrophobicContact CG1-CZ3 3.69Å; C444-W468 HydrophobicContact CB-CE3 3.89Å; C444-W468 HydrophobicContact CB-CZ3 4.23Å; V445-W468 CarbonylContact O-C 3.55Å; V445-W468 WeakPolarHBondContact O-CA 3.28Å; F446-W468 HydrophobicContact CB-CD2 3.9Å; F446-W468 HydrophobicContact CB-CE3 3.69Å; F446-W468 HydrophobicContact CB-CH2 3.57Å; F446-W468 HydrophobicContact CB-CZ2 3.79Å; F446-W468 HydrophobicContact CB-CZ3 3.53Å; F446-W468 AromaticContact CD2-CD1 3.95Å; F446-W468 AromaticContact CD2-CD2 3.9Å; F446-W468 HydrophobicContact CD2-CD2 3.9Å; F446-W468 AromaticContact CD2-CE2 3.49Å; F446-W468 VanDerWaalsContact CD2-CE2 3.49Å; F446-W468 HydrophobicContact CD2-CG 4.19Å; F446-W468 HydrophobicContact CD2-CH2 4.5Å; F446-W468 AromaticContact CD2-CZ2 3.84Å; F446-W468 HydrophobicContact CD2-CZ2 3.84Å; F446-W468 AromaticContact CD2-NE1 3.53Å; F446-W468 HydrophobicContact CG-CD2 4.38Å; F446-W468 HydrophobicContact CG-CH2 4.27Å; F446-W468 HydrophobicContact CG-CZ2 4.02Å; N466-W468 PolarHBondContact O-N 2.9Å; N466-W468 WeakPolarHBondContact OD1-CB 3.5Å; N466-W468 PolarHBondContact OD1-N 2.81Å |
| 469 | E | 94.4 | Very high | 81.5 | Confident | 72 Ų | 72 | 79.8 Ų | 79.8 | 34% | 0.336 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.1 | 176.4 | -171.7 | -173.3 | 140.3 | 0 | 0 | 110.7 | C444 V445 K450 K471 | C444-E469 CarbonylContact C-O 3.58Å; C444-E469 VanDerWaalsContact CA-O 3.29Å; C444-E469 WeakPolarHBondContact CA-O 3.32Å; V445-E469 HydrophobicContact CG1-CB 3.88Å; V445-E469 PolarHBondContact N-O 2.75Å; V445-E469 PolarHBondContact O-N 3.12Å; K450-E469 IonicContact NZ-OE2 2.88Å; K450-E469 PolarHBondContact NZ-OE2 3.22Å; E469-K471 IonicContact OE1-NZ 2.75Å; E469-K471 PolarHBondContact OE1-NZ 3.17Å |
| 470 | N | 95.8 | Very high | 83.3 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 54% | 0.535 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 139.4 | 173.4 | -69.5 | -63.4 | 0 | 0 | 0 | 110.3 | Q442 C444 | Q442-N470 PolarHBondContact NE2-OD1 2.78Å; C444-N470 PolarHBondContact SG-OD1 3.31Å; C444-N470 VanDerWaalsContact SG-OD1 3.41Å |
| 471 | K | 97.1 | Very high | 85.1 | Confident | 51 Ų | 51 | 59.7 Ų | 59.7 | 22% | 0.222 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 176.9 | 173.2 | -68 | -57.1 | -171.2 | -170.5 | 0 | 111.7 | V443 V445 E469 K473 | V443-K471 HydrophobicContact CB-CB 4.16Å; V443-K471 HydrophobicContact CG1-CB 3.96Å; V443-K471 PolarHBondContact O-N 2.84Å; V445-K471 HydrophobicContact CB-CG 4.43Å; V445-K471 HydrophobicContact CG1-CD 4.38Å; V445-K471 HydrophobicContact CG1-CG 3.95Å; E469-K471 IonicContact OE1-NZ 2.75Å; E469-K471 PolarHBondContact OE1-NZ 3.17Å; K471-K473 PolarHBondContact O-N 2.85Å |
| 472 | C | 97.7 | Very high | 87 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 134.1 | 175.1 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | V443 Y515 D520 W522 | V443-C472 WeakPolarHBondContact CG2-O 3.34Å; C472-Y515 HydrophobicContact CB-CE2 4.46Å; C472-D520 WeakPolarHBondContact CB-O 3.4Å; C472-D520 WeakPolarHBondContact CB-OD1 3.44Å; C472-D520 PolarHBondContact N-OD1 3.5Å; C472-W522 PolarHBondContact O-NE1 2.87Å |
| 473 | K | 97.9 | Very high | 89.2 | Confident | 145 Ų | 145 | 47.8 Ų | 47.8 | 63% | 0.63 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -72.7 | 145.9 | -176.2 | -65.8 | 177.5 | -177.7 | 174.5 | 0 | 110 | K441 K471 | K441-K473 HydrophobicContact CB-CB 4.06Å; K441-K473 WeakPolarHBondContact O-CA 3.28Å; K471-K473 PolarHBondContact O-N 2.85Å |
| 474 | M | 97.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 159.6 | 169.7 | -64.9 | -176.4 | -62.4 | 0 | 0 | 111 | T431 G432 K441 V443 R478 V492 W522 | T431-M474 HydrophobicContact CG2-SD 4.38Å; G432-M474 VanDerWaalsContact CA-CE 3.44Å; K441-M474 WeakPolarHBondContact CD-O 3.44Å; K441-M474 PolarHBondContact O-N 2.76Å; V443-M474 HydrophobicContact CG2-CG 3.91Å; M474-R478 HydrophobicContact CE-CG 3.9Å; M474-R478 HydrophobicContact SD-CG 4.42Å; M474-V492 HydrophobicContact SD-CG1 4.24Å; M474-W522 HydrophobicContact CG-CD2 4.23Å; M474-W522 HydrophobicContact CG-CE3 4.47Å; M474-W522 HydrophobicContact CG-CH2 3.78Å; M474-W522 HydrophobicContact CG-CZ2 3.49Å; M474-W522 VanDerWaalsContact CG-CZ2 3.49Å; M474-W522 HydrophobicContact CG-CZ3 4.26Å; M474-W522 HydrophobicContact SD-CH2 4.29Å; M474-W522 HydrophobicContact SD-CZ2 4.46Å |
| 475 | N | 96.6 | Very high | 92.9 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -70.4 | -38.5 | 174.8 | -65.6 | -81.9 | 0 | 0 | 0 | 111.3 | K441 E513 W522 I524 | K441-N475 VanDerWaalsContact CE-O 3.32Å; K441-N475 WeakPolarHBondContact CE-O 3.34Å; K441-N475 PolarHBondContact NZ-O 3.1Å; N475-E513 WeakPolarHBondContact CB-OE2 3.17Å; N475-E513 PolarHBondContact N-OE2 2.96Å; N475-E513 PolarHBondContact ND2-OE2 2.92Å; N475-W522 WeakPolarHBondContact ND2-CB 3.27Å; N475-I524 HydrophobicContact CB-CD1 4.09Å; N475-I524 HydrophobicContact CB-CG1 4.23Å |
| 476 | Y | 94 | Very high | 94.5 | Very high | 108 Ų | 108 | 43 Ų | 43 | 42% | 0.424 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -115.9 | 142.1 | -178.9 | -59.8 | -81.7 | 0 | 0 | 0 | 113 | E513 I524 | Y476-E513 WeakPolarHBondContact CD2-OE1 3.32Å; Y476-E513 PolarHBondContact N-OE1 2.93Å; Y476-E513 VanDerWaalsContact N-OE1 3.14Å; Y476-I524 HydrophobicContact CE2-CD1 4Å; Y476-I524 HydrophobicContact CE2-CG1 4.5Å |
| 477 | A | 93.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | trans | -82.3 | 130.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | S440 K441 C497 | S440-A477 WeakPolarHBondContact O-CA 3.47Å; K441-A477 HydrophobicContact CG-CB 3.67Å; A477-C497 WeakPolarHBondContact O-CB 3.35Å | ||
| 478 | R | 94.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -154.4 | 155.9 | -173.5 | 60.1 | 179.5 | 84.4 | -151.8 | 12.6 | 113.1 | G432 G433 S440 M474 H481 G494 V496 S511 E513 | G432-R478 CarbonylContact C-O 3.59Å; G432-R478 WeakPolarHBondContact CA-O 3.21Å; G433-R478 PolarHBondContact N-O 2.99Å; S440-R478 PolarHBondContact O-N 3.4Å; M474-R478 HydrophobicContact CE-CG 3.9Å; M474-R478 HydrophobicContact SD-CG 4.42Å; R478-H481 HydrophobicContact CG-CB 4.18Å; R478-G494 WeakPolarHBondContact CD-O 3.39Å; R478-G494 PolarHBondContact NH1-O 2.59Å; R478-V496 CarbonylContact C-O 3.59Å; R478-V496 VanDerWaalsContact CA-O 3.3Å; R478-V496 WeakPolarHBondContact CA-O 3.37Å; R478-S511 PolarHBondContact NH1-O 2.88Å; R478-S511 PolarHBondContact NH1-OG 3.05Å; R478-S511 PolarHBondContact NH2-OG 2.85Å; R478-E513 IonicContact CZ-OE1 2.73Å; R478-E513 IonicContact NE-OE1 3.21Å; R478-E513 IonicContact NH2-OE1 3.2Å; R478-E513 PolarHBondContact NH2-OE1 3.14Å |
| 479 | C | 93.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -138.2 | 165.1 | 167 | 65.8 | 0 | 0 | 0 | 0 | 110.1 | G418 I434 T439 H481 G495 V496 | G418-C479 CarbonylContact O-C 3.43Å; G418-C479 VanDerWaalsContact O-CA 3.3Å; G418-C479 WeakPolarHBondContact O-CA 3.37Å; G418-C479 WeakPolarHBondContact O-CB 3.36Å; I434-C479 HydrophobicContact CD1-CB 4.11Å; I434-C479 HydrophobicContact CG1-CB 3.67Å; T439-C479 HydrophobicContact CG2-CB 3.97Å; C479-H481 PolarHBondContact O-N 3.34Å; C479-G495 CarbonylContact O-C 3.56Å; C479-G495 WeakPolarHBondContact O-CA 3.39Å; C479-V496 PolarHBondContact N-O 2.98Å; C479-V496 PolarHBondContact O-N 2.84Å; C479-V496 PolarHBondContact SG-O 2.85Å |
| 480 | F | 92.1 | Very high | 95.7 | Very high | 69 Ų | 69 | 45.5 Ų | 45.5 | 30% | 0.303 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 52.6 | 22.8 | -176.3 | -48.9 | -58.4 | 0 | 0 | 0 | 113.6 | E371 G418 I434 S533 G534 | E371-F480 HydrophobicContact CB-CE1 4.46Å; E371-F480 HydrophobicContact CG-CE1 4.04Å; G418-F480 PolarHBondContact O-N 3.36Å; I434-F480 HydrophobicContact CD1-CE2 4.07Å; I434-F480 HydrophobicContact CD1-CZ 4.26Å; F480-S533 WeakPolarHBondContact O-CA 3.36Å; F480-S533 WeakPolarHBondContact O-CB 3.47Å; F480-G534 PolarHBondContact O-N 3.5Å |
| 481 | H | 94.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -73.5 | -179.8 | 167.3 | 58.8 | -78 | 0 | 0 | 0 | 109.4 | E420 T431 R478 C479 F493 G494 | E420-H481 WeakPolarHBondContact CG-O 3.3Å; T431-H481 PolarHBondContact O-CE1 2.92Å; T431-H481 PolarHBondContact O-NE2 3.45Å; T431-H481 PolarHBondContact OG1-NE2 2.84Å; R478-H481 HydrophobicContact CG-CB 4.18Å; C479-H481 PolarHBondContact O-N 3.34Å; H481-F493 WeakPolarHBondContact CA-O 3.39Å; H481-F493 VanDerWaalsContact CB-O 3.29Å; H481-F493 WeakPolarHBondContact CB-O 3.34Å; H481-G494 WeakPolarHBondContact CB-O 3.41Å | ||
| 482 | K | 94.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151.5 | 164.8 | -73.2 | -67.3 | 174.3 | -165 | 0 | 110.8 | E420 V492 F493 H535 V537 | E420-K482 WeakPolarHBondContact OE1-CD 3.12Å; E420-K482 WeakPolarHBondContact OE1-CE 3.44Å; E420-K482 IonicContact OE1-NZ 2.78Å; E420-K482 PolarHBondContact OE1-NZ 3.12Å; E420-K482 IonicContact OE2-NZ 3.32Å; K482-V492 WeakPolarHBondContact O-CA 3.15Å; K482-F493 PolarHBondContact N-O 2.99Å; K482-F493 PolarHBondContact O-N 3.46Å; K482-H535 WeakPolarHBondContact CD-O 3.49Å; K482-H535 WeakPolarHBondContact CE-O 3.25Å; K482-H535 WeakPolarHBondContact CG-O 3.35Å; K482-V537 HydrophobicContact CB-CB 4.17Å; K482-V537 HydrophobicContact CB-CG2 3.38Å; K482-V537 HydrophobicContact CG-CG2 3.92Å |
| 483 | M | 95.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.069 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.3 | 177.2 | -175.6 | 173.5 | 55.7 | 0 | 0 | 110.2 | E420 T422 Y429 T431 L490 Y491 V492 | E420-M483 HydrophobicContact CB-CB 4.13Å; T422-M483 HydrophobicContact CG2-CE 3.73Å; T422-M483 HydrophobicContact CG2-CG 3.91Å; T422-M483 HydrophobicContact CG2-SD 4.11Å; T422-M483 VanDerWaalsContact N-CE 3.34Å; Y429-M483 WeakPolarHBondContact O-CE 3.47Å; T431-M483 HydrophobicContact CG2-CE 4.03Å; T431-M483 HydrophobicContact CG2-SD 3.45Å; T431-M483 WeakPolarHBondContact CG2-SD 3.42Å; T431-M483 PolarHBondContact OG1-SD 2.92Å; M483-L490 HydrophobicContact SD-CB 4.29Å; M483-L490 HydrophobicContact SD-CD1 4.27Å; M483-Y491 CarbonylContact C-O 3.52Å; M483-Y491 VanDerWaalsContact CA-O 3.22Å; M483-Y491 WeakPolarHBondContact CA-O 3.49Å; M483-Y491 WeakPolarHBondContact CG-O 3Å; M483-V492 HydrophobicContact CB-CG2 4.12Å; M483-V492 HydrophobicContact CG-CG2 3.78Å; M483-V492 HydrophobicContact SD-CG2 3.94Å |
| 484 | I | 95.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 14% | 0.138 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143.6 | 175.4 | -163.7 | 160.3 | 0 | 0 | 0 | 110.9 | Y491 F493 V537 V539 I544 | I484-Y491 PolarHBondContact N-O 2.85Å; I484-Y491 PolarHBondContact O-N 3.17Å; I484-F493 HydrophobicContact CG2-CE2 3.99Å; I484-V537 HydrophobicContact CB-CG1 3.97Å; I484-V537 HydrophobicContact CD1-CG1 3.9Å; I484-V537 HydrophobicContact CG2-CG1 3.87Å; I484-V539 HydrophobicContact CD1-CG2 3.73Å; I484-V539 HydrophobicContact CG1-CG2 4.42Å; I484-I544 HydrophobicContact CG2-CD1 4.2Å; I484-I544 HydrophobicContact CG2-CG2 4.09Å |
| 485 | S | 96.3 | Very high | 95.4 | Very high | 42 Ų | 42 | 30.1 Ų | 30.1 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.4 | 169.1 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | V423 K489 | V423-S485 WeakPolarHBondContact O-CB 3.31Å; V423-S485 PolarHBondContact O-OG 3.06Å; S485-K489 WeakPolarHBondContact CA-O 3.4Å |
| 486 | Y | 96.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 28 Ų | 28 | 13% | 0.125 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 134.6 | 178.4 | -176.9 | -118.7 | 0 | 0 | 0 | 110.1 | G488 K489 Y491 V539 K542 I544 P565 | Y486-G488 VanDerWaalsContact C-N 3.28Å; Y486-G488 PolarHBondContact O-N 3.02Å; Y486-K489 PolarHBondContact N-O 2.91Å; Y486-K489 PolarHBondContact O-N 2.84Å; Y486-Y491 HydrophobicContact CD1-CE2 4.24Å; Y486-V539 HydrophobicContact CD2-CB 4.49Å; Y486-V539 HydrophobicContact CD2-CG1 3.86Å; Y486-V539 HydrophobicContact CD2-CG2 3.83Å; Y486-V539 HydrophobicContact CE2-CG1 3.61Å; Y486-V539 HydrophobicContact CE2-CG2 4.44Å; Y486-V539 HydrophobicContact CG-CG2 4.23Å; Y486-K542 VanDerWaalsContact OH-CA 3.24Å; Y486-K542 WeakPolarHBondContact OH-CA 3.39Å; Y486-K542 WeakPolarHBondContact OH-CB 2.97Å; Y486-K542 PolarHBondContact OH-O 3.03Å; Y486-I544 HydrophobicContact CD1-CD1 4.11Å; Y486-I544 HydrophobicContact CD1-CG1 4.28Å; Y486-I544 HydrophobicContact CG-CD1 4.47Å; Y486-P565 HydrophobicContact CD1-CG 4.03Å; Y486-P565 HydrophobicContact CE1-CG 3.89Å |
| 487 | N | 95 | Very high | 94.8 | Very high | 112 Ų | 112 | 24.5 Ų | 24.5 | 60% | 0.599 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 45.7 | -179.1 | -68.6 | -10.8 | 0 | 0 | 0 | 114.2 | K489 | N487-K489 VanDerWaalsContact C-N 3.25Å; N487-K489 PolarHBondContact O-N 3.34Å |
| 488 | G | 96.3 | Very high | 94.1 | Very high | 45 Ų | 45 | 24.7 Ų | 24.7 | 46% | 0.464 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 5.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L424 Y486 P517 | L424-G488 WeakPolarHBondContact CD2-O 3.49Å; Y486-G488 VanDerWaalsContact C-N 3.28Å; Y486-G488 PolarHBondContact O-N 3.02Å; G488-P517 WeakPolarHBondContact O-CD 3.39Å; G488-P517 WeakPolarHBondContact O-CG 3.48Å |
| 489 | K | 97.9 | Very high | 93.1 | Very high | 67 Ų | 67 | 29.4 Ų | 29.4 | 29% | 0.291 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 165.2 | -177.7 | -60.9 | -168.1 | 179.7 | -150.7 | 0 | 111.6 | S485 Y486 N487 Y491 V514 Y515 D516 | S485-K489 WeakPolarHBondContact CA-O 3.4Å; Y486-K489 PolarHBondContact N-O 2.91Å; Y486-K489 PolarHBondContact O-N 2.84Å; N487-K489 VanDerWaalsContact C-N 3.25Å; N487-K489 PolarHBondContact O-N 3.34Å; K489-Y491 HydrophobicContact CB-CE2 4.01Å; K489-V514 HydrophobicContact CB-CG2 3.72Å; K489-V514 HydrophobicContact CD-CG2 3.86Å; K489-V514 HydrophobicContact CG-CG2 4.39Å; K489-Y515 WeakPolarHBondContact CA-O 3.35Å; K489-Y515 WeakPolarHBondContact CB-O 3.43Å; K489-D516 WeakPolarHBondContact CE-OD2 3.48Å; K489-D516 IonicContact NZ-OD2 3.88Å; K489-D516 PolarHBondContact NZ-OD2 2.86Å |
| 490 | L | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.5 | 174.3 | -51.3 | 177.3 | 0 | 0 | 0 | 109.6 | T422 L424 Y429 M483 V514 Y515 | T422-L490 HydrophobicContact CG2-CD2 3.48Å; T422-L490 VanDerWaalsContact CG2-CD2 3.48Å; L424-L490 HydrophobicContact CB-CD2 3.77Å; L424-L490 HydrophobicContact CD2-CD2 3.58Å; L424-L490 HydrophobicContact CD2-CG 3.87Å; L424-L490 HydrophobicContact CG-CD2 4.29Å; Y429-L490 HydrophobicContact CD1-CD1 3.62Å; Y429-L490 HydrophobicContact CD2-CD1 4.03Å; Y429-L490 HydrophobicContact CE1-CD1 4.27Å; Y429-L490 HydrophobicContact CG-CD1 3.48Å; Y429-L490 VanDerWaalsContact CG-CD1 3.48Å; M483-L490 HydrophobicContact SD-CB 4.29Å; M483-L490 HydrophobicContact SD-CD1 4.27Å; L490-V514 CarbonylContact O-C 3.51Å; L490-V514 VanDerWaalsContact O-CA 3.3Å; L490-V514 WeakPolarHBondContact O-CA 3.4Å; L490-Y515 HydrophobicContact CB-CD1 4.49Å; L490-Y515 HydrophobicContact CD1-CD1 3.75Å; L490-Y515 HydrophobicContact CD1-CE1 4.38Å; L490-Y515 HydrophobicContact CG-CD1 4.15Å; L490-Y515 PolarHBondContact N-O 2.85Å; L490-Y515 PolarHBondContact O-N 2.77Å |
| 491 | Y | 98.1 | Very high | 90.1 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.4 | 175.1 | -65.8 | -100.9 | 0 | 0 | 0 | 109.8 | M483 I484 Y486 K489 F493 E513 V514 L525 I544 F563 P565 | M483-Y491 CarbonylContact C-O 3.52Å; M483-Y491 VanDerWaalsContact CA-O 3.22Å; M483-Y491 WeakPolarHBondContact CA-O 3.49Å; M483-Y491 WeakPolarHBondContact CG-O 3Å; I484-Y491 PolarHBondContact N-O 2.85Å; I484-Y491 PolarHBondContact O-N 3.17Å; Y486-Y491 HydrophobicContact CD1-CE2 4.24Å; K489-Y491 HydrophobicContact CB-CE2 4.01Å; Y491-F493 HydrophobicContact CD1-CZ 4.34Å; Y491-F493 HydrophobicContact CG-CZ 4.2Å; Y491-E513 WeakPolarHBondContact CA-O 3.3Å; Y491-V514 HydrophobicContact CD1-CB 3.93Å; Y491-V514 HydrophobicContact CD1-CG2 3.9Å; Y491-V514 HydrophobicContact CD2-CG2 4.22Å; Y491-V514 HydrophobicContact CE1-CB 3.87Å; Y491-V514 HydrophobicContact CE1-CG2 3.63Å; Y491-V514 HydrophobicContact CE2-CG2 3.96Å; Y491-V514 HydrophobicContact CG-CG2 4.18Å; Y491-L525 HydrophobicContact CD1-CD1 4.09Å; Y491-L525 HydrophobicContact CE1-CD1 3.85Å; Y491-I544 HydrophobicContact CD1-CD1 4.08Å; Y491-I544 HydrophobicContact CD2-CD1 3.91Å; Y491-I544 HydrophobicContact CE2-CD1 4.36Å; Y491-I544 HydrophobicContact CG-CD1 3.76Å; Y491-F563 HydrophobicContact CD1-CE1 4.28Å; Y491-F563 HydrophobicContact CE1-CE1 4.2Å; Y491-P565 HydrophobicContact CE1-CB 4.06Å; Y491-P565 HydrophobicContact CE1-CG 4.41Å |
| 492 | V | 97.4 | Very high | 88 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.3 | -178.4 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | M474 K482 M483 T512 E513 W522 | M474-V492 HydrophobicContact SD-CG1 4.24Å; K482-V492 WeakPolarHBondContact O-CA 3.15Å; M483-V492 HydrophobicContact CB-CG2 4.12Å; M483-V492 HydrophobicContact CG-CG2 3.78Å; M483-V492 HydrophobicContact SD-CG2 3.94Å; V492-T512 WeakPolarHBondContact O-CA 3.46Å; V492-E513 PolarHBondContact N-O 3.03Å; V492-E513 PolarHBondContact O-N 2.96Å; V492-W522 HydrophobicContact CB-CZ3 4.24Å; V492-W522 HydrophobicContact CG2-CH2 3.69Å; V492-W522 HydrophobicContact CG2-CZ3 3.82Å |
| 493 | F | 95.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.8 | -173.5 | -49.4 | -81.8 | 0 | 0 | 0 | 111.8 | H481 K482 I484 Y491 T512 M528 H535 V537 I544 F563 W570 | H481-F493 WeakPolarHBondContact CA-O 3.39Å; H481-F493 VanDerWaalsContact CB-O 3.29Å; H481-F493 WeakPolarHBondContact CB-O 3.34Å; K482-F493 PolarHBondContact N-O 2.99Å; K482-F493 PolarHBondContact O-N 3.46Å; I484-F493 HydrophobicContact CG2-CE2 3.99Å; Y491-F493 HydrophobicContact CD1-CZ 4.34Å; Y491-F493 HydrophobicContact CG-CZ 4.2Å; F493-T512 HydrophobicContact CD1-CG2 3.58Å; F493-T512 HydrophobicContact CE1-CG2 3.41Å; F493-T512 VanDerWaalsContact CE1-CG2 3.41Å; F493-T512 HydrophobicContact CZ-CG2 4.49Å; F493-M528 HydrophobicContact CB-SD 4.38Å; F493-H535 PolarHBondContact O-CE1 3.49Å; F493-H535 PolarHBondContact O-NE2 2.98Å; F493-V537 HydrophobicContact CD2-CG1 4.47Å; F493-V537 HydrophobicContact CD2-CG2 4.29Å; F493-V537 HydrophobicContact CE2-CG1 4.29Å; F493-I544 HydrophobicContact CE2-CD1 4.46Å; F493-I544 HydrophobicContact CE2-CG2 3.77Å; F493-I544 HydrophobicContact CZ-CB 4.28Å; F493-I544 HydrophobicContact CZ-CD1 3.84Å; F493-I544 HydrophobicContact CZ-CG2 3.69Å; F493-F563 HydrophobicContact CE1-CD1 4.18Å; F493-F563 HydrophobicContact CE1-CG 4.44Å; F493-W570 AromaticContact CD1-CH2 3.68Å; F493-W570 HydrophobicContact CD1-CH2 3.68Å; F493-W570 AromaticContact CD1-CZ2 3.61Å; F493-W570 HydrophobicContact CD1-CZ2 3.61Å; F493-W570 AromaticContact CE1-CH2 3.88Å; F493-W570 HydrophobicContact CE1-CH2 3.88Å; F493-W570 AromaticContact CE1-CZ2 3.82Å; F493-W570 HydrophobicContact CE1-CZ2 3.82Å |
| 494 | G | 94.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | 69.9 | -148.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R478 H481 C509 S511 M528 | R478-G494 WeakPolarHBondContact CD-O 3.39Å; R478-G494 PolarHBondContact NH1-O 2.59Å; H481-G494 WeakPolarHBondContact CB-O 3.41Å; G494-C509 CarbonylContact C-O 3.59Å; G494-C509 WeakPolarHBondContact CA-O 3.5Å; G494-S511 PolarHBondContact N-O 2.8Å; G494-M528 VanDerWaalsContact N-CE 3.3Å | ||
| 495 | G | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | 90.9 | -172.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | C479 C509 R532 Y552 | C479-G495 CarbonylContact O-C 3.56Å; C479-G495 WeakPolarHBondContact O-CA 3.39Å; G495-C509 PolarHBondContact O-N 3.44Å; G495-R532 PolarHBondContact N-O 3.38Å; G495-Y552 PolarHBondContact N-OH 3.21Å; G495-Y552 VanDerWaalsContact O-CE1 3.32Å; G495-Y552 WeakPolarHBondContact O-CE1 3.32Å; G495-Y552 VanDerWaalsContact O-CZ 3.22Å; G495-Y552 PolarHBondContact O-OH 2.99Å | ||
| 496 | V | 89.8 | Confident | 81.5 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141.1 | -176.3 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | R478 C479 V498 Y552 | R478-V496 CarbonylContact C-O 3.59Å; R478-V496 VanDerWaalsContact CA-O 3.3Å; R478-V496 WeakPolarHBondContact CA-O 3.37Å; C479-V496 PolarHBondContact N-O 2.98Å; C479-V496 PolarHBondContact O-N 2.84Å; C479-V496 PolarHBondContact SG-O 2.85Å; V496-V498 HydrophobicContact CB-CG2 4.42Å; V496-V498 HydrophobicContact CG1-CG2 3.74Å; V496-Y552 HydrophobicContact CG2-CE1 4.35Å |
| 497 | C | 88.3 | Confident | 80.8 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127 | 165.8 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | T439 A477 S506 Q507 | T439-C497 PolarHBondContact OG1-SG 3.04Å; A477-C497 WeakPolarHBondContact O-CB 3.35Å; C497-S506 WeakPolarHBondContact O-CA 3.5Å; C497-Q507 PolarHBondContact N-O 3.11Å; C497-Q507 PolarHBondContact O-N 2.81Å |
| 498 | V | 79.7 | Confident | 80.3 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.2 | -177.6 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | S438 T439 V496 L500 | S438-V498 WeakPolarHBondContact CA-O 3.35Å; S438-V498 WeakPolarHBondContact CB-O 3.08Å; T439-V498 HydrophobicContact CG2-CB 3.98Å; T439-V498 HydrophobicContact CG2-CG2 4.29Å; T439-V498 VanDerWaalsContact CG2-N 3.31Å; T439-V498 PolarHBondContact N-O 3.16Å; T439-V498 PolarHBondContact OG1-N 3.41Å; V496-V498 HydrophobicContact CB-CG2 4.42Å; V496-V498 HydrophobicContact CG1-CG2 3.74Å; V498-L500 HydrophobicContact CG1-CD2 3.9Å; V498-L500 HydrophobicContact CG1-CG 4.34Å |
| 499 | I | 72 | Confident | 79.8 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 51% | 0.508 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 111.9 | 173.8 | -57.7 | 175.6 | 0 | 0 | 0 | 108.2 | R501 | I499-R501 VanDerWaalsContact C-N 3.35Å; I499-R501 PolarHBondContact O-N 2.94Å |
| 500 | L | 66.3 | Low | 79.5 | Confident | 61 Ų | 61 | 59 Ų | 59 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -3 | -169.6 | -65.3 | 169.4 | 0 | 0 | 0 | 114.6 | I434 S437 V498 F504 | I434-L500 HydrophobicContact CG2-CD1 4.05Å; S437-L500 WeakPolarHBondContact O-CB 3.26Å; S437-L500 PolarHBondContact O-N 3.22Å; V498-L500 HydrophobicContact CG1-CD2 3.9Å; V498-L500 HydrophobicContact CG1-CG 4.34Å; L500-F504 HydrophobicContact CD2-CD1 4.33Å; L500-F504 HydrophobicContact CD2-CE1 3.86Å |
| 501 | R | 57.5 | Low | 79.3 | Confident | 200 Ų | 200 | 59.3 Ų | 59.3 | 76% | 0.755 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -5.5 | -162.7 | -71.6 | -168.9 | 176.9 | -174.9 | 1.5 | 117.5 | I499 | I499-R501 VanDerWaalsContact C-N 3.35Å; I499-R501 PolarHBondContact O-N 2.94Å |
| 502 | A | 49.5 | Very low | 79.3 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 79% | 0.793 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144 | -30 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 503 | S | 54.1 | Low | 79.3 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -164.2 | 145.7 | 177.9 | 39.8 | 0 | 0 | 0 | 0 | 104.8 | E505 | S503-E505 PolarHBondContact O-N 3.41Å; S503-E505 WeakPolarHBondContact OG-CG 3.31Å; S503-E505 PolarHBondContact OG-OE1 2.93Å |
| 504 | F | 57 | Low | 79.4 | Confident | 185 Ų | 185 | 59 Ų | 59 | 81% | 0.811 | 32% | 0.319 | S | S | * | . | trans | -70.6 | 67.5 | 168.1 | -81.7 | -87.7 | 0 | 0 | 0 | 108.7 | L500 | L500-F504 HydrophobicContact CD2-CD1 4.33Å; L500-F504 HydrophobicContact CD2-CE1 3.86Å | ||
| 505 | E | 61.1 | Low | 79.6 | Confident | 138 Ų | 138 | 59 Ų | 59 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 107.9 | 172.7 | -82.6 | 173.4 | -143.5 | 0 | 0 | 107.9 | S503 | S503-E505 PolarHBondContact O-N 3.41Å; S503-E505 WeakPolarHBondContact OG-CG 3.31Å; S503-E505 PolarHBondContact OG-OE1 2.93Å |
| 506 | S | 73.4 | Confident | 79.9 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 63% | 0.629 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.7 | 169.1 | 54.7 | 0 | 0 | 0 | 0 | 109 | C497 | C497-S506 WeakPolarHBondContact O-CA 3.5Å |
| 507 | Q | 82.1 | Confident | 80.2 | Confident | 146 Ų | 146 | 61 Ų | 61 | 68% | 0.682 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.1 | 172.9 | -171.1 | 178.1 | 17.2 | 0 | 0 | 109.3 | C497 | C497-Q507 PolarHBondContact N-O 3.11Å; C497-Q507 PolarHBondContact O-N 2.81Å |
| 508 | G | 84.3 | Confident | 80.6 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 24% | 0.237 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 139.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P510 Y552 | G508-P510 VanDerWaalsContact O-CD 3.31Å; G508-P510 WeakPolarHBondContact O-CD 3.49Å; G508-Y552 VanDerWaalsContact CA-CD2 3.48Å |
| 509 | C | 86.6 | Confident | 81.4 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | trans | -111.8 | 82.4 | 178.8 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | G494 G495 S511 Y552 | G494-C509 CarbonylContact C-O 3.59Å; G494-C509 WeakPolarHBondContact CA-O 3.5Å; G495-C509 PolarHBondContact O-N 3.44Å; C509-S511 PolarHBondContact O-N 2.69Å; C509-S511 VanDerWaalsContact O-N 3.14Å; C509-S511 PolarHBondContact SG-OG 2.84Å; C509-Y552 PolarHBondContact N-OH 2.91Å; C509-Y552 PolarHBondContact O-OH 2.52Å; C509-Y552 VanDerWaalsContact O-OH 3.11Å | ||
| 510 | P | 91.2 | Very high | 82.7 | Confident | 48 Ų | 48 | 67.3 Ų | 67.3 | 31% | 0.312 | 37% | 0.366 | S | S | . | . | trans | -71.9 | -8.4 | -175.4 | 30.8 | -36 | 0 | 0 | 0 | 114 | G508 M528 Y552 | G508-P510 VanDerWaalsContact O-CD 3.31Å; G508-P510 WeakPolarHBondContact O-CD 3.49Å; P510-M528 PolarHBondContact O-N 3.38Å; P510-Y552 HydrophobicContact CB-CE2 4.26Å | ||
| 511 | S | 94.4 | Very high | 84.2 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 5% | 0.049 | 38% | 0.375 | C | S | . | . | trans | -59.8 | 145.1 | -175.4 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | R478 G494 C509 | R478-S511 PolarHBondContact NH1-O 2.88Å; R478-S511 PolarHBondContact NH1-OG 3.05Å; R478-S511 PolarHBondContact NH2-OG 2.85Å; G494-S511 PolarHBondContact N-O 2.8Å; C509-S511 PolarHBondContact O-N 2.69Å; C509-S511 VanDerWaalsContact O-N 3.14Å; C509-S511 PolarHBondContact SG-OG 2.84Å | ||
| 512 | T | 97.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.3 | 169.4 | -51.8 | 0 | 0 | 0 | 0 | 108.4 | V492 F493 L525 A526 F563 W570 | V492-T512 WeakPolarHBondContact O-CA 3.46Å; F493-T512 HydrophobicContact CD1-CG2 3.58Å; F493-T512 HydrophobicContact CE1-CG2 3.41Å; F493-T512 VanDerWaalsContact CE1-CG2 3.41Å; F493-T512 HydrophobicContact CZ-CG2 4.49Å; T512-L525 HydrophobicContact CG2-CB 3.9Å; T512-L525 HydrophobicContact CG2-CD1 4.22Å; T512-L525 PolarHBondContact O-N 3.49Å; T512-A526 WeakPolarHBondContact CB-O 3.45Å; T512-A526 PolarHBondContact OG1-O 3.37Å; T512-F563 HydrophobicContact CG2-CE1 4.41Å; T512-F563 HydrophobicContact CG2-CZ 4.37Å; T512-W570 HydrophobicContact CG2-CZ2 4.46Å; T512-W570 WeakPolarHBondContact OG1-CZ2 3.48Å; T512-W570 PolarHBondContact OG1-NE1 3.44Å |
| 513 | E | 97.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.2 | 176.3 | -55.8 | -172.7 | -124.7 | 0 | 0 | 110 | N475 Y476 R478 Y491 V492 W522 T523 | N475-E513 WeakPolarHBondContact CB-OE2 3.17Å; N475-E513 PolarHBondContact N-OE2 2.96Å; N475-E513 PolarHBondContact ND2-OE2 2.92Å; Y476-E513 WeakPolarHBondContact CD2-OE1 3.32Å; Y476-E513 PolarHBondContact N-OE1 2.93Å; Y476-E513 VanDerWaalsContact N-OE1 3.14Å; R478-E513 IonicContact CZ-OE1 2.73Å; R478-E513 IonicContact NE-OE1 3.21Å; R478-E513 IonicContact NH2-OE1 3.2Å; R478-E513 PolarHBondContact NH2-OE1 3.14Å; Y491-E513 WeakPolarHBondContact CA-O 3.3Å; V492-E513 PolarHBondContact N-O 3.03Å; V492-E513 PolarHBondContact O-N 2.96Å; E513-W522 HydrophobicContact CB-CE3 3.67Å; E513-W522 HydrophobicContact CB-CZ3 3.92Å; E513-T523 WeakPolarHBondContact CA-O 3.03Å |
| 514 | V | 98.4 | Very high | 90.6 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.3 | 172.2 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | K489 L490 Y491 W522 T523 L525 | K489-V514 HydrophobicContact CB-CG2 3.72Å; K489-V514 HydrophobicContact CD-CG2 3.86Å; K489-V514 HydrophobicContact CG-CG2 4.39Å; L490-V514 CarbonylContact O-C 3.51Å; L490-V514 VanDerWaalsContact O-CA 3.3Å; L490-V514 WeakPolarHBondContact O-CA 3.4Å; Y491-V514 HydrophobicContact CD1-CB 3.93Å; Y491-V514 HydrophobicContact CD1-CG2 3.9Å; Y491-V514 HydrophobicContact CD2-CG2 4.22Å; Y491-V514 HydrophobicContact CE1-CB 3.87Å; Y491-V514 HydrophobicContact CE1-CG2 3.63Å; Y491-V514 HydrophobicContact CE2-CG2 3.96Å; Y491-V514 HydrophobicContact CG-CG2 4.18Å; V514-W522 CarbonylContact O-C 3.58Å; V514-W522 WeakPolarHBondContact O-CA 3.35Å; V514-T523 PolarHBondContact N-O 2.95Å; V514-T523 PolarHBondContact O-N 2.97Å; V514-L525 HydrophobicContact CB-CD1 3.81Å; V514-L525 HydrophobicContact CB-CG 4.41Å; V514-L525 HydrophobicContact CG1-CD1 3.69Å; V514-L525 HydrophobicContact CG1-CD2 4.12Å; V514-L525 HydrophobicContact CG1-CG 3.91Å |
| 515 | Y | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.5 | 174.8 | 175 | -102.8 | 0 | 0 | 0 | 110.9 | Y429 C472 K489 L490 P517 D520 Q521 W522 | Y429-Y515 HydrophobicContact CD1-CE1 4.39Å; Y429-Y515 AromaticContact CE1-CE1 3.91Å; Y429-Y515 HydrophobicContact CE1-CE1 3.91Å; C472-Y515 HydrophobicContact CB-CE2 4.46Å; K489-Y515 WeakPolarHBondContact CA-O 3.35Å; K489-Y515 WeakPolarHBondContact CB-O 3.43Å; L490-Y515 HydrophobicContact CB-CD1 4.49Å; L490-Y515 HydrophobicContact CD1-CD1 3.75Å; L490-Y515 HydrophobicContact CD1-CE1 4.38Å; L490-Y515 HydrophobicContact CG-CD1 4.15Å; L490-Y515 PolarHBondContact N-O 2.85Å; L490-Y515 PolarHBondContact O-N 2.77Å; Y515-P517 HydrophobicContact CD1-CB 4.48Å; Y515-P517 VanDerWaalsContact CE1-CA 3.48Å; Y515-P517 HydrophobicContact CE1-CB 3.87Å; Y515-D520 VanDerWaalsContact CE2-OD1 3.3Å; Y515-D520 WeakPolarHBondContact CE2-OD1 3.07Å; Y515-D520 PolarHBondContact OH-OD1 2.88Å; Y515-Q521 WeakPolarHBondContact CA-O 3.38Å; Y515-Q521 WeakPolarHBondContact CD2-O 3.29Å; Y515-W522 AromaticContact CD2-CD1 3.76Å; Y515-W522 AromaticContact CD2-CD2 3.96Å; Y515-W522 HydrophobicContact CD2-CD2 3.96Å; Y515-W522 AromaticContact CD2-CE2 3.53Å; Y515-W522 HydrophobicContact CD2-CG 4.1Å; Y515-W522 AromaticContact CD2-CZ2 3.98Å; Y515-W522 HydrophobicContact CD2-CZ2 3.98Å; Y515-W522 AromaticContact CD2-NE1 3.39Å; Y515-W522 HydrophobicContact CG-CD2 4.27Å; Y515-W522 AromaticContact CG-CE2 3.87Å; Y515-W522 HydrophobicContact CG-CH2 4.32Å; Y515-W522 AromaticContact CG-CZ2 3.88Å; Y515-W522 HydrophobicContact CG-CZ2 3.88Å |
| 516 | D | 98 | Very high | 94.2 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.2 | 175.3 | -173.5 | -52.4 | 0 | 0 | 0 | 108.8 | K489 D518 T519 D520 Q521 | K489-D516 WeakPolarHBondContact CE-OD2 3.48Å; K489-D516 IonicContact NZ-OD2 3.88Å; K489-D516 PolarHBondContact NZ-OD2 2.86Å; D516-D518 VanDerWaalsContact C-N 3.26Å; D516-D518 PolarHBondContact O-N 2.78Å; D516-D518 WeakPolarHBondContact OD1-CB 3.27Å; D516-D518 PolarHBondContact OD1-N 2.89Å; D516-T519 WeakPolarHBondContact CB-OG1 3.13Å; D516-T519 PolarHBondContact O-N 2.81Å; D516-T519 PolarHBondContact OD1-N 2.78Å; D516-T519 VanDerWaalsContact OD1-N 3.16Å; D516-T519 PolarHBondContact OD1-OG1 3.16Å; D516-D520 WeakPolarHBondContact O-CA 3.44Å; D516-D520 PolarHBondContact O-N 3.05Å; D516-Q521 PolarHBondContact N-O 3.5Å; D516-Q521 PolarHBondContact O-N 2.72Å |
| 517 | P | 96.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21.4 | -175.5 | 31 | -38.7 | 0 | 0 | 0 | 113.8 | L424 G488 Y515 | L424-P517 HydrophobicContact CD2-CB 4.45Å; L424-P517 HydrophobicContact CD2-CG 3.85Å; G488-P517 WeakPolarHBondContact O-CD 3.39Å; G488-P517 WeakPolarHBondContact O-CG 3.48Å; Y515-P517 HydrophobicContact CD1-CB 4.48Å; Y515-P517 VanDerWaalsContact CE1-CA 3.48Å; Y515-P517 HydrophobicContact CE1-CB 3.87Å |
| 518 | D | 96.6 | Very high | 95.8 | Very high | 153 Ų | 153 | 41.5 Ų | 41.5 | 82% | 0.818 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -33.8 | -178.3 | -63.1 | -35.1 | 0 | 0 | 0 | 111 | D516 | D516-D518 VanDerWaalsContact C-N 3.26Å; D516-D518 PolarHBondContact O-N 2.78Å; D516-D518 WeakPolarHBondContact OD1-CB 3.27Å; D516-D518 PolarHBondContact OD1-N 2.89Å |
| 519 | T | 97.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -11.7 | 178.7 | 58 | 0 | 0 | 0 | 0 | 113.8 | D516 Q521 | D516-T519 WeakPolarHBondContact CB-OG1 3.13Å; D516-T519 PolarHBondContact O-N 2.81Å; D516-T519 PolarHBondContact OD1-N 2.78Å; D516-T519 VanDerWaalsContact OD1-N 3.16Å; D516-T519 PolarHBondContact OD1-OG1 3.16Å; T519-Q521 VanDerWaalsContact C-N 3.28Å; T519-Q521 WeakPolarHBondContact O-CG 3.29Å; T519-Q521 PolarHBondContact O-N 3.23Å |
| 520 | D | 98 | Very high | 96.1 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 44.7 | -172.8 | -168.7 | 22.7 | 0 | 0 | 0 | 111.7 | C472 Y515 D516 | C472-D520 WeakPolarHBondContact CB-O 3.4Å; C472-D520 WeakPolarHBondContact CB-OD1 3.44Å; C472-D520 PolarHBondContact N-OD1 3.5Å; Y515-D520 VanDerWaalsContact CE2-OD1 3.3Å; Y515-D520 WeakPolarHBondContact CE2-OD1 3.07Å; Y515-D520 PolarHBondContact OH-OD1 2.88Å; D516-D520 WeakPolarHBondContact O-CA 3.44Å; D516-D520 PolarHBondContact O-N 3.05Å |
| 521 | Q | 98.1 | Very high | 95.9 | Very high | 109 Ų | 109 | 44.2 Ų | 44.2 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 147.5 | -178.1 | -65 | -56.7 | -47.5 | 0 | 0 | 112.6 | Y515 D516 T519 | Y515-Q521 WeakPolarHBondContact CA-O 3.38Å; Y515-Q521 WeakPolarHBondContact CD2-O 3.29Å; D516-Q521 PolarHBondContact N-O 3.5Å; D516-Q521 PolarHBondContact O-N 2.72Å; T519-Q521 VanDerWaalsContact C-N 3.28Å; T519-Q521 WeakPolarHBondContact O-CG 3.29Å; T519-Q521 PolarHBondContact O-N 3.23Å |
| 522 | W | 98.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 8% | 0.083 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.4 | 173.1 | -72.5 | 91.7 | 0 | 0 | 0 | 110.8 | T431 V443 C472 M474 N475 V492 E513 V514 Y515 | T431-W522 HydrophobicContact CG2-CH2 4.31Å; T431-W522 HydrophobicContact CG2-CZ2 4.33Å; V443-W522 HydrophobicContact CG2-CZ2 3.68Å; C472-W522 PolarHBondContact O-NE1 2.87Å; M474-W522 HydrophobicContact CG-CD2 4.23Å; M474-W522 HydrophobicContact CG-CE3 4.47Å; M474-W522 HydrophobicContact CG-CH2 3.78Å; M474-W522 HydrophobicContact CG-CZ2 3.49Å; M474-W522 VanDerWaalsContact CG-CZ2 3.49Å; M474-W522 HydrophobicContact CG-CZ3 4.26Å; M474-W522 HydrophobicContact SD-CH2 4.29Å; M474-W522 HydrophobicContact SD-CZ2 4.46Å; N475-W522 WeakPolarHBondContact ND2-CB 3.27Å; V492-W522 HydrophobicContact CB-CZ3 4.24Å; V492-W522 HydrophobicContact CG2-CH2 3.69Å; V492-W522 HydrophobicContact CG2-CZ3 3.82Å; E513-W522 HydrophobicContact CB-CE3 3.67Å; E513-W522 HydrophobicContact CB-CZ3 3.92Å; V514-W522 CarbonylContact O-C 3.58Å; V514-W522 WeakPolarHBondContact O-CA 3.35Å; Y515-W522 AromaticContact CD2-CD1 3.76Å; Y515-W522 AromaticContact CD2-CD2 3.96Å; Y515-W522 HydrophobicContact CD2-CD2 3.96Å; Y515-W522 AromaticContact CD2-CE2 3.53Å; Y515-W522 HydrophobicContact CD2-CG 4.1Å; Y515-W522 AromaticContact CD2-CZ2 3.98Å; Y515-W522 HydrophobicContact CD2-CZ2 3.98Å; Y515-W522 AromaticContact CD2-NE1 3.39Å; Y515-W522 HydrophobicContact CG-CD2 4.27Å; Y515-W522 AromaticContact CG-CE2 3.87Å; Y515-W522 HydrophobicContact CG-CH2 4.32Å; Y515-W522 AromaticContact CG-CZ2 3.88Å; Y515-W522 HydrophobicContact CG-CZ2 3.88Å |
| 523 | T | 98.2 | Very high | 95.4 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.9 | 172.6 | -56.1 | 0 | 0 | 0 | 0 | 109.7 | E513 V514 L525 | E513-T523 WeakPolarHBondContact CA-O 3.03Å; V514-T523 PolarHBondContact N-O 2.95Å; V514-T523 PolarHBondContact O-N 2.97Å; T523-L525 HydrophobicContact CG2-CD2 4.28Å |
| 524 | I | 97.9 | Very high | 95 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129 | 173.9 | -61 | 172.6 | 0 | 0 | 0 | 108.6 | N475 Y476 | N475-I524 HydrophobicContact CB-CD1 4.09Å; N475-I524 HydrophobicContact CB-CG1 4.23Å; Y476-I524 HydrophobicContact CE2-CD1 4Å; Y476-I524 HydrophobicContact CE2-CG1 4.5Å |
| 525 | L | 97.9 | Very high | 94.7 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -178.4 | 179.7 | -64.5 | -174.5 | 0 | 0 | 0 | 110.6 | Y491 T512 V514 T523 S527 F563 N568 | Y491-L525 HydrophobicContact CD1-CD1 4.09Å; Y491-L525 HydrophobicContact CE1-CD1 3.85Å; T512-L525 HydrophobicContact CG2-CB 3.9Å; T512-L525 HydrophobicContact CG2-CD1 4.22Å; T512-L525 PolarHBondContact O-N 3.49Å; V514-L525 HydrophobicContact CB-CD1 3.81Å; V514-L525 HydrophobicContact CB-CG 4.41Å; V514-L525 HydrophobicContact CG1-CD1 3.69Å; V514-L525 HydrophobicContact CG1-CD2 4.12Å; V514-L525 HydrophobicContact CG1-CG 3.91Å; T523-L525 HydrophobicContact CG2-CD2 4.28Å; L525-S527 PolarHBondContact O-N 3.05Å; L525-F563 HydrophobicContact CB-CZ 4.18Å; L525-F563 HydrophobicContact CD1-CE1 3.94Å; L525-F563 HydrophobicContact CD1-CZ 3.81Å; L525-N568 VanDerWaalsContact CB-OD1 3.3Å; L525-N568 WeakPolarHBondContact CB-OD1 3.44Å |
| 526 | A | 96.9 | Very high | 94.4 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 127.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T512 F563 N568 W570 | T512-A526 WeakPolarHBondContact CB-O 3.45Å; T512-A526 PolarHBondContact OG1-O 3.37Å; A526-F563 HydrophobicContact CB-CE2 4.43Å; A526-N568 WeakPolarHBondContact CB-O 3.28Å; A526-N568 PolarHBondContact N-OD1 2.99Å; A526-W570 PolarHBondContact O-NE1 2.76Å |
| 527 | S | 95.5 | Very high | 94.1 | Very high | 64 Ų | 64 | 44 Ų | 44 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -70 | 150.9 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | L525 W570 | L525-S527 PolarHBondContact O-N 3.05Å; S527-W570 PolarHBondContact O-NE1 2.78Å |
| 528 | M | 94 | Very high | 93.9 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 141 | 172.1 | -67.6 | -177.2 | -67.5 | 0 | 0 | 110.6 | F493 G494 P510 I530 R532 L561 W570 | F493-M528 HydrophobicContact CB-SD 4.38Å; G494-M528 VanDerWaalsContact N-CE 3.3Å; P510-M528 PolarHBondContact O-N 3.38Å; M528-I530 VanDerWaalsContact C-N 3.31Å; M528-I530 PolarHBondContact O-N 3.44Å; M528-R532 HydrophobicContact CE-CG 4.48Å; M528-R532 HydrophobicContact SD-CG 4.36Å; M528-L561 HydrophobicContact CB-CD1 4.35Å; M528-L561 HydrophobicContact CG-CD1 4.45Å; M528-L561 HydrophobicContact SD-CD1 4.5Å; M528-W570 HydrophobicContact CB-CZ2 4.5Å; M528-W570 HydrophobicContact CG-CD2 4.3Å; M528-W570 HydrophobicContact CG-CH2 3.69Å; M528-W570 HydrophobicContact CG-CZ2 3.38Å; M528-W570 HydrophobicContact CG-CZ3 4.27Å; M528-W570 HydrophobicContact SD-CH2 4.26Å; M528-W570 HydrophobicContact SD-CZ2 4.44Å |
| 529 | P | 90.5 | Very high | 93.6 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -58.8 | -41.9 | 176.4 | -25.6 | 34.3 | 0 | 0 | 0 | 113.1 | W570 E572 | P529-W570 HydrophobicContact CG-CB 3.94Å; P529-W570 HydrophobicContact CG-CG 4.47Å; P529-E572 WeakPolarHBondContact CB-OE1 3.23Å; P529-E572 HydrophobicContact CG-CG 4.37Å; P529-E572 WeakPolarHBondContact CG-OE1 3.04Å |
| 530 | I | 85.3 | Confident | 93 | Very high | 72 Ų | 72 | 35.3 Ų | 35.3 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -127.9 | 110.7 | 173.3 | -55.5 | 174.4 | 0 | 0 | 0 | 107.7 | M528 R532 C551 | M528-I530 VanDerWaalsContact C-N 3.31Å; M528-I530 PolarHBondContact O-N 3.44Å; I530-R532 PolarHBondContact O-NE 2.83Å; I530-C551 HydrophobicContact CG2-CB 3.99Å |
| 531 | G | 86.9 | Confident | 92.3 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | trans | -74.5 | 150.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y552 | G531-Y552 VanDerWaalsContact C-CD2 3.46Å; G531-Y552 VanDerWaalsContact O-CD2 3.27Å; G531-Y552 WeakPolarHBondContact O-CD2 3.43Å; G531-Y552 WeakPolarHBondContact O-CE2 3.24Å; G531-Y552 PolarHBondContact O-N 2.88Å | ||
| 532 | R | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 160.8 | -167.9 | 56.5 | -177.5 | 91.2 | -174.2 | -1.3 | 111.8 | G495 M528 I530 H535 V546 G548 L550 Y552 S559 | G495-R532 PolarHBondContact N-O 3.38Å; M528-R532 HydrophobicContact CE-CG 4.48Å; M528-R532 HydrophobicContact SD-CG 4.36Å; I530-R532 PolarHBondContact O-NE 2.83Å; R532-H535 HydrophobicContact CG-CB 4.13Å; R532-H535 PolarHBondContact O-CE1 2.78Å; R532-H535 PolarHBondContact O-ND1 3.32Å; R532-V546 HydrophobicContact CG-CG1 4.43Å; R532-G548 WeakPolarHBondContact CD-O 3.2Å; R532-G548 PolarHBondContact NH1-O 3.29Å; R532-L550 CarbonylContact C-O 3.51Å; R532-L550 WeakPolarHBondContact CA-O 3.37Å; R532-L550 WeakPolarHBondContact CB-O 3.47Å; R532-Y552 PolarHBondContact N-OH 3.21Å; R532-Y552 PolarHBondContact O-OH 3.32Å; R532-S559 PolarHBondContact NH1-O 2.83Å; R532-S559 PolarHBondContact NH1-OG 3.21Å; R532-S559 PolarHBondContact NH2-OG 3.08Å; R532-S559 VanDerWaalsContact NH2-OG 3.08Å |
| 533 | S | 91.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 162.3 | 172.5 | 54 | 0 | 0 | 0 | 0 | 111 | F480 H535 G549 L550 | F480-S533 WeakPolarHBondContact O-CA 3.36Å; F480-S533 WeakPolarHBondContact O-CB 3.47Å; S533-H535 PolarHBondContact O-N 2.79Å; S533-G549 CarbonylContact O-C 3.55Å; S533-G549 WeakPolarHBondContact O-CA 3.42Å; S533-L550 PolarHBondContact N-O 3.47Å; S533-L550 PolarHBondContact O-N 3.09Å |
| 534 | G | 87.6 | Confident | 91.3 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 61.4 | 16.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | F480 D583 G584 L585 | F480-G534 PolarHBondContact O-N 3.5Å; G534-D583 VanDerWaalsContact CA-OD1 3.32Å; G534-D583 WeakPolarHBondContact CA-OD1 3.34Å; G534-G584 WeakPolarHBondContact O-CA 3.43Å; G534-G584 PolarHBondContact O-N 3.03Å; G534-L585 PolarHBondContact O-N 3.34Å |
| 535 | H | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -72.9 | 163.8 | 173.9 | 54.5 | -83.1 | 0 | 0 | 0 | 110.4 | K482 F493 R532 S533 V546 L547 | K482-H535 WeakPolarHBondContact CD-O 3.49Å; K482-H535 WeakPolarHBondContact CE-O 3.25Å; K482-H535 WeakPolarHBondContact CG-O 3.35Å; F493-H535 PolarHBondContact O-CE1 3.49Å; F493-H535 PolarHBondContact O-NE2 2.98Å; R532-H535 HydrophobicContact CG-CB 4.13Å; R532-H535 PolarHBondContact O-CE1 2.78Å; R532-H535 PolarHBondContact O-ND1 3.32Å; S533-H535 PolarHBondContact O-N 2.79Å; H535-V546 HydrophobicContact CB-CG1 3.95Å; H535-V546 VanDerWaalsContact CD2-CG1 3.48Å; H535-V546 WeakPolarHBondContact CD2-CG1 3.4Å; H535-L547 WeakPolarHBondContact CA-O 3.35Å; H535-L547 WeakPolarHBondContact CB-O 3.36Å | ||
| 536 | G | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 150.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V546 L547 | G536-V546 CarbonylContact O-C 3.52Å; G536-V546 WeakPolarHBondContact O-CA 3.27Å; G536-L547 PolarHBondContact N-O 3.19Å; G536-L547 PolarHBondContact O-N 3.37Å |
| 537 | V | 93 | Very high | 90.7 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 10% | 0.097 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.6 | 175.5 | 178 | 0 | 0 | 0 | 0 | 110.6 | K482 I484 F493 I544 M545 V546 | K482-V537 HydrophobicContact CB-CB 4.17Å; K482-V537 HydrophobicContact CB-CG2 3.38Å; K482-V537 HydrophobicContact CG-CG2 3.92Å; I484-V537 HydrophobicContact CB-CG1 3.97Å; I484-V537 HydrophobicContact CD1-CG1 3.9Å; I484-V537 HydrophobicContact CG2-CG1 3.87Å; F493-V537 HydrophobicContact CD2-CG1 4.47Å; F493-V537 HydrophobicContact CD2-CG2 4.29Å; F493-V537 HydrophobicContact CE2-CG1 4.29Å; V537-I544 HydrophobicContact CG1-CG2 3.57Å; V537-M545 VanDerWaalsContact CA-O 3.26Å; V537-M545 WeakPolarHBondContact CA-O 3.38Å; V537-V546 HydrophobicContact CG2-CG2 4.09Å |
| 538 | A | 92.2 | Very high | 90.5 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 6% | 0.058 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 158.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | M545 V587 | A538-M545 PolarHBondContact N-O 2.82Å; A538-M545 VanDerWaalsContact N-O 3.13Å; A538-M545 PolarHBondContact O-N 2.99Å; A538-V587 HydrophobicContact CB-CB 4.23Å; A538-V587 HydrophobicContact CB-CG1 3.63Å |
| 539 | V | 90.6 | Very high | 90.4 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 29% | 0.285 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.6 | 171 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | I484 Y486 Q543 I544 | I484-V539 HydrophobicContact CD1-CG2 3.73Å; I484-V539 HydrophobicContact CG1-CG2 4.42Å; Y486-V539 HydrophobicContact CD2-CB 4.49Å; Y486-V539 HydrophobicContact CD2-CG1 3.86Å; Y486-V539 HydrophobicContact CD2-CG2 3.83Å; Y486-V539 HydrophobicContact CE2-CG1 3.61Å; Y486-V539 HydrophobicContact CE2-CG2 4.44Å; Y486-V539 HydrophobicContact CG-CG2 4.23Å; V539-Q543 CarbonylContact C-O 3.47Å; V539-Q543 WeakPolarHBondContact CA-O 3.41Å; V539-I544 HydrophobicContact CG2-CG1 4.4Å |
| 540 | L | 85.3 | Confident | 90.3 | Very high | 29 Ų | 29 | 24.8 Ų | 24.8 | 15% | 0.152 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 134.2 | 174.6 | -175.3 | 66.5 | 0 | 0 | 0 | 110.1 | K542 Q543 M545 Y575 | L540-K542 PolarHBondContact O-N 3Å; L540-K542 VanDerWaalsContact O-N 3.11Å; L540-Q543 PolarHBondContact N-O 3.17Å; L540-Q543 PolarHBondContact O-N 2.76Å; L540-M545 HydrophobicContact CB-CG 4.14Å; L540-M545 HydrophobicContact CB-SD 3.44Å; L540-M545 WeakPolarHBondContact CB-SD 3.44Å; L540-M545 HydrophobicContact CD2-CE 4.33Å; L540-M545 HydrophobicContact CD2-SD 3.44Å; L540-M545 WeakPolarHBondContact CD2-SD 3.46Å; L540-M545 HydrophobicContact CG-SD 4.07Å; L540-Y575 HydrophobicContact CD2-CE1 3.7Å; L540-Y575 WeakPolarHBondContact CD2-OH 3.35Å |
| 541 | D | 82.8 | Confident | 90.5 | Very high | 90 Ų | 90 | 21.8 Ų | 21.8 | 48% | 0.481 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 41.9 | 175.8 | -64.6 | -31.9 | 0 | 0 | 0 | 112.9 | K303 Q543 | K303-D541 IonicContact NZ-OD1 2.76Å; K303-D541 PolarHBondContact NZ-OD1 3.23Å; K303-D541 IonicContact NZ-OD2 3.56Å; K303-D541 PolarHBondContact NZ-OD2 2.94Å; D541-Q543 PolarHBondContact O-N 2.69Å |
| 542 | K | 87.9 | Confident | 90.4 | Very high | 155 Ų | 155 | 25.4 Ų | 25.4 | 67% | 0.674 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 4.7 | -176.3 | -55.5 | -178.9 | 178.8 | -177.9 | 0 | 116.9 | Y486 L540 | Y486-K542 VanDerWaalsContact OH-CA 3.24Å; Y486-K542 WeakPolarHBondContact OH-CA 3.39Å; Y486-K542 WeakPolarHBondContact OH-CB 2.97Å; Y486-K542 PolarHBondContact OH-O 3.03Å; L540-K542 PolarHBondContact O-N 3Å; L540-K542 VanDerWaalsContact O-N 3.11Å |
| 543 | Q | 91.4 | Very high | 89.9 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 156.3 | 175.9 | -64.4 | 179.4 | -23.7 | 0 | 0 | 111 | V539 L540 D541 | V539-Q543 CarbonylContact C-O 3.47Å; V539-Q543 WeakPolarHBondContact CA-O 3.41Å; L540-Q543 PolarHBondContact N-O 3.17Å; L540-Q543 PolarHBondContact O-N 2.76Å; D541-Q543 PolarHBondContact O-N 2.69Å |
| 544 | I | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 116.7 | 174.5 | -55.7 | 175 | 0 | 0 | 0 | 108.2 | I484 Y486 Y491 F493 V537 V539 T562 F563 P565 | I484-I544 HydrophobicContact CG2-CD1 4.2Å; I484-I544 HydrophobicContact CG2-CG2 4.09Å; Y486-I544 HydrophobicContact CD1-CD1 4.11Å; Y486-I544 HydrophobicContact CD1-CG1 4.28Å; Y486-I544 HydrophobicContact CG-CD1 4.47Å; Y491-I544 HydrophobicContact CD1-CD1 4.08Å; Y491-I544 HydrophobicContact CD2-CD1 3.91Å; Y491-I544 HydrophobicContact CE2-CD1 4.36Å; Y491-I544 HydrophobicContact CG-CD1 3.76Å; F493-I544 HydrophobicContact CE2-CD1 4.46Å; F493-I544 HydrophobicContact CE2-CG2 3.77Å; F493-I544 HydrophobicContact CZ-CB 4.28Å; F493-I544 HydrophobicContact CZ-CD1 3.84Å; F493-I544 HydrophobicContact CZ-CG2 3.69Å; V537-I544 HydrophobicContact CG1-CG2 3.57Å; V539-I544 HydrophobicContact CG2-CG1 4.4Å; I544-T562 WeakPolarHBondContact O-CA 3.28Å; I544-F563 HydrophobicContact CB-CB 4.4Å; I544-F563 HydrophobicContact CD1-CD1 4.5Å; I544-F563 PolarHBondContact N-O 2.79Å; I544-F563 PolarHBondContact O-N 2.89Å; I544-P565 HydrophobicContact CD1-CG 3.95Å; I544-P565 HydrophobicContact CG1-CG 4.2Å |
| 545 | M | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 139 | 177.7 | -61.1 | 179.2 | 75.6 | 0 | 0 | 110.7 | L301 V537 A538 L540 L547 I560 L561 T562 Y575 | L301-M545 HydrophobicContact CD2-CE 3.88Å; V537-M545 VanDerWaalsContact CA-O 3.26Å; V537-M545 WeakPolarHBondContact CA-O 3.38Å; A538-M545 PolarHBondContact N-O 2.82Å; A538-M545 VanDerWaalsContact N-O 3.13Å; A538-M545 PolarHBondContact O-N 2.99Å; L540-M545 HydrophobicContact CB-CG 4.14Å; L540-M545 HydrophobicContact CB-SD 3.44Å; L540-M545 WeakPolarHBondContact CB-SD 3.44Å; L540-M545 HydrophobicContact CD2-CE 4.33Å; L540-M545 HydrophobicContact CD2-SD 3.44Å; L540-M545 WeakPolarHBondContact CD2-SD 3.46Å; L540-M545 HydrophobicContact CG-SD 4.07Å; M545-L547 HydrophobicContact CB-CD1 3.73Å; M545-I560 HydrophobicContact CE-CD1 4.44Å; M545-I560 HydrophobicContact CE-CG2 3.42Å; M545-I560 VanDerWaalsContact CE-CG2 3.42Å; M545-L561 CarbonylContact C-O 3.43Å; M545-L561 WeakPolarHBondContact CA-O 3.32Å; M545-T562 HydrophobicContact CG-CG2 3.99Å; M545-Y575 HydrophobicContact CE-CD1 4.03Å; M545-Y575 HydrophobicContact CE-CD2 4.06Å; M545-Y575 HydrophobicContact CE-CE1 4.15Å; M545-Y575 HydrophobicContact CE-CE2 4.24Å; M545-Y575 HydrophobicContact CE-CG 3.96Å |
| 546 | V | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.7 | 168.7 | 169.1 | 0 | 0 | 0 | 0 | 108.3 | R532 H535 G536 V537 I560 L561 W570 | R532-V546 HydrophobicContact CG-CG1 4.43Å; H535-V546 HydrophobicContact CB-CG1 3.95Å; H535-V546 VanDerWaalsContact CD2-CG1 3.48Å; H535-V546 WeakPolarHBondContact CD2-CG1 3.4Å; G536-V546 CarbonylContact O-C 3.52Å; G536-V546 WeakPolarHBondContact O-CA 3.27Å; V537-V546 HydrophobicContact CG2-CG2 4.09Å; V546-I560 WeakPolarHBondContact O-CA 3.5Å; V546-L561 HydrophobicContact CB-CB 4.27Å; V546-L561 PolarHBondContact N-O 2.91Å; V546-L561 PolarHBondContact O-N 3.12Å; V546-W570 HydrophobicContact CB-CZ3 4.31Å; V546-W570 HydrophobicContact CG2-CH2 3.68Å; V546-W570 HydrophobicContact CG2-CZ3 3.83Å |
| 547 | L | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.1 | -173.8 | -63.6 | 90.6 | 0 | 0 | 0 | 110.8 | V284 W307 H535 G536 M545 I560 M578 L585 V587 | V284-L547 HydrophobicContact CG2-CD2 4.13Å; W307-L547 HydrophobicContact CH2-CD2 3.86Å; W307-L547 HydrophobicContact CZ2-CD2 4.13Å; H535-L547 WeakPolarHBondContact CA-O 3.35Å; H535-L547 WeakPolarHBondContact CB-O 3.36Å; G536-L547 PolarHBondContact N-O 3.19Å; G536-L547 PolarHBondContact O-N 3.37Å; M545-L547 HydrophobicContact CB-CD1 3.73Å; L547-I560 HydrophobicContact CD2-CD1 4.38Å; L547-I560 HydrophobicContact CD2-CG1 4.37Å; L547-I560 HydrophobicContact CG-CG1 4.26Å; L547-I560 HydrophobicContact CG-CG2 4.4Å; L547-M578 HydrophobicContact CB-SD 4.01Å; L547-M578 HydrophobicContact CD2-SD 4.32Å; L547-L585 HydrophobicContact CB-CD1 3.85Å; L547-L585 WeakPolarHBondContact O-CD2 3.44Å; L547-V587 HydrophobicContact CB-CG2 4.47Å; L547-V587 HydrophobicContact CD1-CG1 4.15Å; L547-V587 HydrophobicContact CD1-CG2 4.24Å |
| 548 | G | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | 61.1 | -144.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R532 S557 S559 | R532-G548 WeakPolarHBondContact CD-O 3.2Å; R532-G548 PolarHBondContact NH1-O 3.29Å; G548-S557 VanDerWaalsContact CA-O 3.31Å; G548-S557 WeakPolarHBondContact CA-O 3.42Å; G548-S559 PolarHBondContact N-O 2.91Å; G548-S559 VanDerWaalsContact N-O 3.17Å | ||
| 549 | G | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 90.7 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S533 S557 L582 | S533-G549 CarbonylContact O-C 3.55Å; S533-G549 WeakPolarHBondContact O-CA 3.42Å; G549-S557 PolarHBondContact O-N 3.28Å; G549-L582 WeakPolarHBondContact CA-O 3.22Å; G549-L582 PolarHBondContact N-O 3.47Å | ||
| 550 | L | 89.1 | Confident | 89 | Confident | 51 Ų | 51 | 39 Ų | 39 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.6 | 174.2 | -179 | 63 | 0 | 0 | 0 | 110.5 | R532 S533 Y556 | R532-L550 CarbonylContact C-O 3.51Å; R532-L550 WeakPolarHBondContact CA-O 3.37Å; R532-L550 WeakPolarHBondContact CB-O 3.47Å; S533-L550 PolarHBondContact N-O 3.47Å; S533-L550 PolarHBondContact O-N 3.09Å; L550-Y556 HydrophobicContact CB-CD1 4.32Å; L550-Y556 HydrophobicContact CB-CE1 4.31Å; L550-Y556 HydrophobicContact CD1-CD1 4Å; L550-Y556 HydrophobicContact CD1-CE1 3.97Å; L550-Y556 HydrophobicContact CD1-CE2 4.5Å; L550-Y556 HydrophobicContact CD1-CG 4.31Å |
| 551 | C | 88.8 | Confident | 89.4 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.054 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 152.6 | 174.7 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | I530 N553 G554 H555 | I530-C551 HydrophobicContact CG2-CB 3.99Å; C551-N553 WeakPolarHBondContact CB-OD1 3.44Å; C551-N553 PolarHBondContact O-N 2.94Å; C551-N553 VanDerWaalsContact O-N 3.12Å; C551-G554 PolarHBondContact O-N 3.26Å; C551-H555 VanDerWaalsContact CB-O 3.29Å; C551-H555 WeakPolarHBondContact CB-O 3.29Å; C551-H555 PolarHBondContact N-O 2.86Å |
| 552 | Y | 84.3 | Confident | 90 | Very high | 80 Ų | 80 | 33.6 Ų | 33.6 | 31% | 0.314 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.6 | -178 | -51.8 | -36.8 | 0 | 0 | 0 | 115.1 | G495 V496 G508 C509 P510 G531 R532 G554 | G495-Y552 PolarHBondContact N-OH 3.21Å; G495-Y552 VanDerWaalsContact O-CE1 3.32Å; G495-Y552 WeakPolarHBondContact O-CE1 3.32Å; G495-Y552 VanDerWaalsContact O-CZ 3.22Å; G495-Y552 PolarHBondContact O-OH 2.99Å; V496-Y552 HydrophobicContact CG2-CE1 4.35Å; G508-Y552 VanDerWaalsContact CA-CD2 3.48Å; C509-Y552 PolarHBondContact N-OH 2.91Å; C509-Y552 PolarHBondContact O-OH 2.52Å; C509-Y552 VanDerWaalsContact O-OH 3.11Å; P510-Y552 HydrophobicContact CB-CE2 4.26Å; G531-Y552 VanDerWaalsContact C-CD2 3.46Å; G531-Y552 VanDerWaalsContact O-CD2 3.27Å; G531-Y552 WeakPolarHBondContact O-CD2 3.43Å; G531-Y552 WeakPolarHBondContact O-CE2 3.24Å; G531-Y552 PolarHBondContact O-N 2.88Å; R532-Y552 PolarHBondContact N-OH 3.21Å; R532-Y552 PolarHBondContact O-OH 3.32Å; Y552-G554 PolarHBondContact O-N 2.73Å |
| 553 | N | 81.9 | Confident | 90.4 | Very high | 101 Ų | 101 | 26.2 Ų | 26.2 | 54% | 0.54 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 4.6 | 169 | 62.9 | 4.4 | 0 | 0 | 0 | 113 | C551 H555 | C551-N553 WeakPolarHBondContact CB-OD1 3.44Å; C551-N553 PolarHBondContact O-N 2.94Å; C551-N553 VanDerWaalsContact O-N 3.12Å; N553-H555 PolarHBondContact OD1-N 3.06Å |
| 554 | G | 81.5 | Confident | 90.6 | Very high | 53 Ų | 53 | 26.3 Ų | 26.3 | 55% | 0.546 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 86.4 | 3.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | C551 Y552 | C551-G554 PolarHBondContact O-N 3.26Å; Y552-G554 PolarHBondContact O-N 2.73Å |
| 555 | H | 86 | Confident | 90.6 | Very high | 123 Ų | 123 | 27.7 Ų | 27.7 | 57% | 0.569 | 15% | 0.152 | S | C | * | . | P | Polyproline II helix | trans | -101 | 133.4 | -179.5 | -62.6 | -55.1 | 0 | 0 | 0 | 112.3 | C551 N553 | C551-H555 VanDerWaalsContact CB-O 3.29Å; C551-H555 WeakPolarHBondContact CB-O 3.29Å; C551-H555 PolarHBondContact N-O 2.86Å; N553-H555 PolarHBondContact OD1-N 3.06Å |
| 556 | Y | 88.1 | Confident | 90.6 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -65.5 | 134.4 | 164.7 | -62.1 | -77.7 | 0 | 0 | 0 | 110.2 | H291 L550 K581 D583 | H291-Y556 PolarHBondContact CE1-OH 2.91Å; H291-Y556 PolarHBondContact ND1-OH 2.89Å; H291-Y556 PolarHBondContact NE2-OH 3.29Å; H291-Y556 VanDerWaalsContact NE2-OH 3.1Å; L550-Y556 HydrophobicContact CB-CD1 4.32Å; L550-Y556 HydrophobicContact CB-CE1 4.31Å; L550-Y556 HydrophobicContact CD1-CD1 4Å; L550-Y556 HydrophobicContact CD1-CE1 3.97Å; L550-Y556 HydrophobicContact CD1-CE2 4.5Å; L550-Y556 HydrophobicContact CD1-CG 4.31Å; Y556-K581 VanDerWaalsContact O-CD 3.28Å; Y556-K581 WeakPolarHBondContact O-CD 3.36Å; Y556-D583 HydrophobicContact CD1-CB 3.71Å; Y556-D583 HydrophobicContact CE1-CB 3.56Å |
| 557 | S | 89.6 | Confident | 90.7 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -99.4 | 146.2 | -178.2 | -163.6 | 0 | 0 | 0 | 0 | 112.3 | G548 G549 S559 | G548-S557 VanDerWaalsContact CA-O 3.31Å; G548-S557 WeakPolarHBondContact CA-O 3.42Å; G549-S557 PolarHBondContact O-N 3.28Å; S557-S559 WeakPolarHBondContact OG-CB 3.27Å; S557-S559 PolarHBondContact OG-N 2.87Å; S557-S559 PolarHBondContact OG-OG 3.07Å |
| 558 | D | 90.7 | Very high | 90.9 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 16% | 0.16 | 23% | 0.227 | C | C | . | . | trans | -107.7 | 1 | 162.7 | 50.5 | 26.4 | 0 | 0 | 0 | 111.5 | R577 M578 K581 | D558-R577 HydrophobicContact CB-CB 4.39Å; D558-R577 WeakPolarHBondContact O-CA 3.36Å; D558-R577 IonicContact OD1-CZ 2.86Å; D558-R577 IonicContact OD1-NH1 3.4Å; D558-R577 PolarHBondContact OD1-NH1 3.17Å; D558-M578 HydrophobicContact CB-CB 4.21Å; D558-M578 PolarHBondContact O-N 2.73Å; D558-K581 HydrophobicContact CB-CG 3.91Å; D558-K581 WeakPolarHBondContact OD2-CE 3.48Å | ||
| 559 | S | 91.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 13% | 0.126 | 25% | 0.25 | C | S | . | . | trans | -78.1 | 151 | -176.3 | 75.3 | 0 | 0 | 0 | 0 | 112.7 | R532 G548 S557 | R532-S559 PolarHBondContact NH1-O 2.83Å; R532-S559 PolarHBondContact NH1-OG 3.21Å; R532-S559 PolarHBondContact NH2-OG 3.08Å; R532-S559 VanDerWaalsContact NH2-OG 3.08Å; G548-S559 PolarHBondContact N-O 2.91Å; G548-S559 VanDerWaalsContact N-O 3.17Å; S557-S559 WeakPolarHBondContact OG-CB 3.27Å; S557-S559 PolarHBondContact OG-N 2.87Å; S557-S559 PolarHBondContact OG-OG 3.07Å | ||
| 560 | I | 92.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.3 | 175.3 | -58.2 | 173.2 | 0 | 0 | 0 | 107.3 | W307 M545 V546 L547 Y575 P576 M578 | W307-I560 HydrophobicContact CZ2-CD1 3.7Å; M545-I560 HydrophobicContact CE-CD1 4.44Å; M545-I560 HydrophobicContact CE-CG2 3.42Å; M545-I560 VanDerWaalsContact CE-CG2 3.42Å; V546-I560 WeakPolarHBondContact O-CA 3.5Å; L547-I560 HydrophobicContact CD2-CD1 4.38Å; L547-I560 HydrophobicContact CD2-CG1 4.37Å; L547-I560 HydrophobicContact CG-CG1 4.26Å; L547-I560 HydrophobicContact CG-CG2 4.4Å; I560-Y575 HydrophobicContact CG2-CD2 4.47Å; I560-Y575 HydrophobicContact CG2-CG 4.49Å; I560-P576 WeakPolarHBondContact CD1-O 3.2Å; I560-M578 HydrophobicContact CG1-CG 4.38Å |
| 561 | L | 93.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 144.8 | 169.5 | -52.3 | 176.6 | 0 | 0 | 0 | 109.1 | M528 M545 V546 W570 E572 | M528-L561 HydrophobicContact CB-CD1 4.35Å; M528-L561 HydrophobicContact CG-CD1 4.45Å; M528-L561 HydrophobicContact SD-CD1 4.5Å; M545-L561 CarbonylContact C-O 3.43Å; M545-L561 WeakPolarHBondContact CA-O 3.32Å; V546-L561 HydrophobicContact CB-CB 4.27Å; V546-L561 PolarHBondContact N-O 2.91Å; V546-L561 PolarHBondContact O-N 3.12Å; L561-W570 HydrophobicContact CB-CE3 3.68Å; L561-W570 HydrophobicContact CB-CZ3 3.72Å; L561-W570 HydrophobicContact CD1-CE3 4.33Å; L561-W570 HydrophobicContact CD1-CZ3 4.39Å; L561-E572 HydrophobicContact CD2-CG 3.71Å |
| 562 | T | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.2 | 173.1 | 39.7 | 0 | 0 | 0 | 0 | 109.6 | I544 M545 W570 K571 E574 Y575 | I544-T562 WeakPolarHBondContact O-CA 3.28Å; M545-T562 HydrophobicContact CG-CG2 3.99Å; T562-W570 CarbonylContact O-C 3.51Å; T562-W570 WeakPolarHBondContact O-CA 3.4Å; T562-K571 PolarHBondContact N-O 3.47Å; T562-K571 PolarHBondContact O-N 2.85Å; T562-K571 WeakPolarHBondContact OG1-CB 3.47Å; T562-K571 PolarHBondContact OG1-O 3.27Å; T562-E574 WeakPolarHBondContact CB-OE2 3.35Å; T562-E574 PolarHBondContact OG1-OE2 2.82Å; T562-Y575 HydrophobicContact CG2-CD2 3.91Å; T562-Y575 HydrophobicContact CG2-CE2 3.71Å |
| 563 | F | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.2 | 172.6 | -176.1 | -113.2 | 0 | 0 | 0 | 109.4 | Y491 F493 T512 L525 A526 I544 P565 K569 W570 | Y491-F563 HydrophobicContact CD1-CE1 4.28Å; Y491-F563 HydrophobicContact CE1-CE1 4.2Å; F493-F563 HydrophobicContact CE1-CD1 4.18Å; F493-F563 HydrophobicContact CE1-CG 4.44Å; T512-F563 HydrophobicContact CG2-CE1 4.41Å; T512-F563 HydrophobicContact CG2-CZ 4.37Å; L525-F563 HydrophobicContact CB-CZ 4.18Å; L525-F563 HydrophobicContact CD1-CE1 3.94Å; L525-F563 HydrophobicContact CD1-CZ 3.81Å; A526-F563 HydrophobicContact CB-CE2 4.43Å; I544-F563 HydrophobicContact CB-CB 4.4Å; I544-F563 HydrophobicContact CD1-CD1 4.5Å; I544-F563 PolarHBondContact N-O 2.79Å; I544-F563 PolarHBondContact O-N 2.89Å; F563-P565 HydrophobicContact CD1-CG 4.04Å; F563-P565 HydrophobicContact CE1-CB 4.19Å; F563-P565 HydrophobicContact CE1-CG 4.15Å; F563-P565 WeakPolarHBondContact O-CD 3.36Å; F563-K569 WeakPolarHBondContact CD2-O 3.25Å; F563-W570 HydrophobicContact CB-CD2 3.97Å; F563-W570 HydrophobicContact CB-CE3 3.76Å; F563-W570 HydrophobicContact CB-CH2 3.63Å; F563-W570 HydrophobicContact CB-CZ2 3.8Å; F563-W570 HydrophobicContact CB-CZ3 3.61Å; F563-W570 AromaticContact CD2-CD1 3.84Å; F563-W570 AromaticContact CD2-CD2 3.8Å; F563-W570 HydrophobicContact CD2-CD2 3.8Å; F563-W570 AromaticContact CD2-CE2 3.47Å; F563-W570 VanDerWaalsContact CD2-CE2 3.47Å; F563-W570 HydrophobicContact CD2-CE3 4.45Å; F563-W570 HydrophobicContact CD2-CG 4.02Å; F563-W570 AromaticContact CD2-CZ2 3.89Å; F563-W570 HydrophobicContact CD2-CZ2 3.89Å; F563-W570 AromaticContact CD2-NE1 3.47Å; F563-W570 AromaticContact CE2-NE1 3.88Å; F563-W570 HydrophobicContact CG-CD2 4.31Å; F563-W570 AromaticContact CG-CE2 3.98Å; F563-W570 HydrophobicContact CG-CH2 4.27Å; F563-W570 AromaticContact CG-CZ2 3.95Å; F563-W570 HydrophobicContact CG-CZ2 3.95Å |
| 564 | D | 95.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 55 Ų | 55 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 108.3 | 172.5 | -168.8 | -39.5 | 0 | 0 | 0 | 109 | E566 E567 N568 K569 | D564-E566 VanDerWaalsContact C-N 3.28Å; D564-E566 PolarHBondContact O-N 3Å; D564-E566 PolarHBondContact OD1-N 2.81Å; D564-E567 HydrophobicContact CB-CB 4.1Å; D564-E567 PolarHBondContact OD1-N 3.36Å; D564-E567 VanDerWaalsContact OD1-N 3.16Å; D564-N568 WeakPolarHBondContact O-CA 3.43Å; D564-N568 PolarHBondContact O-N 2.79Å; D564-K569 PolarHBondContact N-O 3.44Å; D564-K569 PolarHBondContact O-N 2.86Å |
| 565 | P | 94.8 | Very high | 92 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.7 | -178.3 | -22.5 | 36.6 | 0 | 0 | 0 | 114.2 | Y486 Y491 I544 F563 | Y486-P565 HydrophobicContact CD1-CG 4.03Å; Y486-P565 HydrophobicContact CE1-CG 3.89Å; Y491-P565 HydrophobicContact CE1-CB 4.06Å; Y491-P565 HydrophobicContact CE1-CG 4.41Å; I544-P565 HydrophobicContact CD1-CG 3.95Å; I544-P565 HydrophobicContact CG1-CG 4.2Å; F563-P565 HydrophobicContact CD1-CG 4.04Å; F563-P565 HydrophobicContact CE1-CB 4.19Å; F563-P565 HydrophobicContact CE1-CG 4.15Å; F563-P565 WeakPolarHBondContact O-CD 3.36Å |
| 566 | E | 94.1 | Very high | 92.2 | Very high | 158 Ų | 158 | 49.5 Ų | 49.5 | 74% | 0.738 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -42.3 | 178.7 | -64.1 | -176.3 | 174.6 | 0 | 0 | 110.3 | D564 | D564-E566 VanDerWaalsContact C-N 3.28Å; D564-E566 PolarHBondContact O-N 3Å; D564-E566 PolarHBondContact OD1-N 2.81Å |
| 567 | E | 95.4 | Very high | 92.3 | Very high | 106 Ų | 106 | 54.6 Ų | 54.6 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -13.4 | 179.5 | -73.5 | -66.1 | 140.5 | 0 | 0 | 114 | D564 K569 | D564-E567 HydrophobicContact CB-CB 4.1Å; D564-E567 PolarHBondContact OD1-N 3.36Å; D564-E567 VanDerWaalsContact OD1-N 3.16Å; E567-K569 VanDerWaalsContact C-N 3.3Å; E567-K569 HydrophobicContact CB-CB 4.31Å; E567-K569 HydrophobicContact CB-CD 4.22Å; E567-K569 HydrophobicContact CB-CG 4.42Å; E567-K569 WeakPolarHBondContact O-CG 3.37Å; E567-K569 PolarHBondContact O-N 2.89Å; E567-K569 IonicContact OE2-NZ 2.76Å; E567-K569 PolarHBondContact OE2-NZ 2.79Å |
| 568 | N | 96.6 | Very high | 92.4 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 48.8 | -171.2 | -175.2 | 27.2 | 0 | 0 | 0 | 112 | L525 A526 D564 | L525-N568 VanDerWaalsContact CB-OD1 3.3Å; L525-N568 WeakPolarHBondContact CB-OD1 3.44Å; A526-N568 WeakPolarHBondContact CB-O 3.28Å; A526-N568 PolarHBondContact N-OD1 2.99Å; D564-N568 WeakPolarHBondContact O-CA 3.43Å; D564-N568 PolarHBondContact O-N 2.79Å |
| 569 | K | 96.2 | Very high | 92.2 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144 | -176.2 | -74.4 | 170.2 | -162.2 | 149.5 | 0 | 111.6 | F563 D564 E567 | F563-K569 WeakPolarHBondContact CD2-O 3.25Å; D564-K569 PolarHBondContact N-O 3.44Å; D564-K569 PolarHBondContact O-N 2.86Å; E567-K569 VanDerWaalsContact C-N 3.3Å; E567-K569 HydrophobicContact CB-CB 4.31Å; E567-K569 HydrophobicContact CB-CD 4.22Å; E567-K569 HydrophobicContact CB-CG 4.42Å; E567-K569 WeakPolarHBondContact O-CG 3.37Å; E567-K569 PolarHBondContact O-N 2.89Å; E567-K569 IonicContact OE2-NZ 2.76Å; E567-K569 PolarHBondContact OE2-NZ 2.79Å |
| 570 | W | 95.9 | Very high | 91.9 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 13% | 0.125 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 143.8 | 167.8 | -70.5 | 92.6 | 0 | 0 | 0 | 110.6 | F493 T512 A526 S527 M528 P529 V546 L561 T562 F563 | F493-W570 AromaticContact CD1-CH2 3.68Å; F493-W570 HydrophobicContact CD1-CH2 3.68Å; F493-W570 AromaticContact CD1-CZ2 3.61Å; F493-W570 HydrophobicContact CD1-CZ2 3.61Å; F493-W570 AromaticContact CE1-CH2 3.88Å; F493-W570 HydrophobicContact CE1-CH2 3.88Å; F493-W570 AromaticContact CE1-CZ2 3.82Å; F493-W570 HydrophobicContact CE1-CZ2 3.82Å; T512-W570 HydrophobicContact CG2-CZ2 4.46Å; T512-W570 WeakPolarHBondContact OG1-CZ2 3.48Å; T512-W570 PolarHBondContact OG1-NE1 3.44Å; A526-W570 PolarHBondContact O-NE1 2.76Å; S527-W570 PolarHBondContact O-NE1 2.78Å; M528-W570 HydrophobicContact CB-CZ2 4.5Å; M528-W570 HydrophobicContact CG-CD2 4.3Å; M528-W570 HydrophobicContact CG-CH2 3.69Å; M528-W570 HydrophobicContact CG-CZ2 3.38Å; M528-W570 HydrophobicContact CG-CZ3 4.27Å; M528-W570 HydrophobicContact SD-CH2 4.26Å; M528-W570 HydrophobicContact SD-CZ2 4.44Å; P529-W570 HydrophobicContact CG-CB 3.94Å; P529-W570 HydrophobicContact CG-CG 4.47Å; V546-W570 HydrophobicContact CB-CZ3 4.31Å; V546-W570 HydrophobicContact CG2-CH2 3.68Å; V546-W570 HydrophobicContact CG2-CZ3 3.83Å; L561-W570 HydrophobicContact CB-CE3 3.68Å; L561-W570 HydrophobicContact CB-CZ3 3.72Å; L561-W570 HydrophobicContact CD1-CE3 4.33Å; L561-W570 HydrophobicContact CD1-CZ3 4.39Å; T562-W570 CarbonylContact O-C 3.51Å; T562-W570 WeakPolarHBondContact O-CA 3.4Å; F563-W570 HydrophobicContact CB-CD2 3.97Å; F563-W570 HydrophobicContact CB-CE3 3.76Å; F563-W570 HydrophobicContact CB-CH2 3.63Å; F563-W570 HydrophobicContact CB-CZ2 3.8Å; F563-W570 HydrophobicContact CB-CZ3 3.61Å; F563-W570 AromaticContact CD2-CD1 3.84Å; F563-W570 AromaticContact CD2-CD2 3.8Å; F563-W570 HydrophobicContact CD2-CD2 3.8Å; F563-W570 AromaticContact CD2-CE2 3.47Å; F563-W570 VanDerWaalsContact CD2-CE2 3.47Å; F563-W570 HydrophobicContact CD2-CE3 4.45Å; F563-W570 HydrophobicContact CD2-CG 4.02Å; F563-W570 AromaticContact CD2-CZ2 3.89Å; F563-W570 HydrophobicContact CD2-CZ2 3.89Å; F563-W570 AromaticContact CD2-NE1 3.47Å; F563-W570 AromaticContact CE2-NE1 3.88Å; F563-W570 HydrophobicContact CG-CD2 4.31Å; F563-W570 AromaticContact CG-CE2 3.98Å; F563-W570 HydrophobicContact CG-CH2 4.27Å; F563-W570 AromaticContact CG-CZ2 3.95Å; F563-W570 HydrophobicContact CG-CZ2 3.95Å |
| 571 | K | 93.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.3 | 171.3 | -60.1 | 173.7 | -176.1 | 169.1 | 0 | 109.2 | T562 E574 | T562-K571 PolarHBondContact N-O 3.47Å; T562-K571 PolarHBondContact O-N 2.85Å; T562-K571 WeakPolarHBondContact OG1-CB 3.47Å; T562-K571 PolarHBondContact OG1-O 3.27Å; K571-E574 HydrophobicContact CB-CG 4.17Å; K571-E574 VanDerWaalsContact CD-CD 3.45Å; K571-E574 HydrophobicContact CD-CG 4.46Å; K571-E574 VanDerWaalsContact CD-OE1 3.31Å; K571-E574 WeakPolarHBondContact CD-OE1 3.48Å; K571-E574 WeakPolarHBondContact CD-OE2 3.45Å; K571-E574 IonicContact NZ-OE1 2.78Å |
| 572 | E | 89.4 | Confident | 91.4 | Very high | 93 Ų | 93 | 60.7 Ų | 60.7 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 156.8 | 178.6 | -62 | -171.8 | -144.5 | 0 | 0 | 109.1 | P529 L561 E574 | P529-E572 WeakPolarHBondContact CB-OE1 3.23Å; P529-E572 HydrophobicContact CG-CG 4.37Å; P529-E572 WeakPolarHBondContact CG-OE1 3.04Å; L561-E572 HydrophobicContact CD2-CG 3.71Å; E572-E574 PolarHBondContact O-N 3.38Å |
| 573 | D | 83.3 | Confident | 90.9 | Very high | 118 Ų | 118 | 61.7 Ų | 61.7 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 58.7 | 15.9 | 172.4 | -57 | -41.3 | 0 | 0 | 0 | 116.1 | Y575 | D573-Y575 VanDerWaalsContact C-N 3.25Å; D573-Y575 PolarHBondContact O-N 3.38Å |
| 574 | E | 86.3 | Confident | 90.2 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -68.5 | -27 | 170.3 | -72.7 | -170.2 | 123.4 | 0 | 0 | 111.8 | R305 T562 K571 E572 | R305-E574 WeakPolarHBondContact CD-O 3.5Å; R305-E574 PolarHBondContact NH1-O 3.21Å; T562-E574 WeakPolarHBondContact CB-OE2 3.35Å; T562-E574 PolarHBondContact OG1-OE2 2.82Å; K571-E574 HydrophobicContact CB-CG 4.17Å; K571-E574 VanDerWaalsContact CD-CD 3.45Å; K571-E574 HydrophobicContact CD-CG 4.46Å; K571-E574 VanDerWaalsContact CD-OE1 3.31Å; K571-E574 WeakPolarHBondContact CD-OE1 3.48Å; K571-E574 WeakPolarHBondContact CD-OE2 3.45Å; K571-E574 IonicContact NZ-OE1 2.78Å; E572-E574 PolarHBondContact O-N 3.38Å |
| 575 | Y | 87.6 | Confident | 89.7 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -122.7 | 149.6 | -176.9 | -70.4 | -94.8 | 0 | 0 | 0 | 111.2 | L301 R305 L540 M545 I560 T562 D573 | L301-Y575 HydrophobicContact CD2-CD1 3.77Å; L301-Y575 HydrophobicContact CD2-CE1 4.19Å; R305-Y575 HydrophobicContact CB-CD1 4.43Å; R305-Y575 HydrophobicContact CG-CD1 3.83Å; R305-Y575 HydrophobicContact CG-CE1 3.96Å; L540-Y575 HydrophobicContact CD2-CE1 3.7Å; L540-Y575 WeakPolarHBondContact CD2-OH 3.35Å; M545-Y575 HydrophobicContact CE-CD1 4.03Å; M545-Y575 HydrophobicContact CE-CD2 4.06Å; M545-Y575 HydrophobicContact CE-CE1 4.15Å; M545-Y575 HydrophobicContact CE-CE2 4.24Å; M545-Y575 HydrophobicContact CE-CG 3.96Å; I560-Y575 HydrophobicContact CG2-CD2 4.47Å; I560-Y575 HydrophobicContact CG2-CG 4.49Å; T562-Y575 HydrophobicContact CG2-CD2 3.91Å; T562-Y575 HydrophobicContact CG2-CE2 3.71Å; D573-Y575 VanDerWaalsContact C-N 3.25Å; D573-Y575 PolarHBondContact O-N 3.38Å |
| 576 | P | 89.3 | Confident | 89.3 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 143.3 | 174 | 32.2 | -42.2 | 0 | 0 | 0 | 110.2 | L301 R305 W307 I560 | L301-P576 HydrophobicContact CD1-CG 3.94Å; R305-P576 HydrophobicContact CB-CG 4.28Å; R305-P576 WeakPolarHBondContact O-CD 3.31Å; R305-P576 WeakPolarHBondContact O-CG 3.18Å; W307-P576 PolarHBondContact NE1-O 3.07Å; I560-P576 WeakPolarHBondContact CD1-O 3.2Å |
| 577 | R | 90.9 | Very high | 89.1 | Confident | 146 Ų | 146 | 54.5 Ų | 54.5 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -57 | 149.2 | 171.8 | -67.3 | 178.9 | 175.4 | -124.6 | 3.5 | 110.9 | W307 D558 | W307-R577 PolarHBondContact NE1-O 3.22Å; W307-R577 VanDerWaalsContact NE1-O 3.12Å; D558-R577 HydrophobicContact CB-CB 4.39Å; D558-R577 WeakPolarHBondContact O-CA 3.36Å; D558-R577 IonicContact OD1-CZ 2.86Å; D558-R577 IonicContact OD1-NH1 3.4Å; D558-R577 PolarHBondContact OD1-NH1 3.17Å |
| 578 | M | 90.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 148.4 | 174.5 | -62.4 | -165.9 | -55.1 | 0 | 0 | 110.5 | W307 L547 D558 I560 C580 L582 L585 | W307-M578 HydrophobicContact CH2-CG 4.22Å; W307-M578 HydrophobicContact CZ2-CB 4.49Å; W307-M578 HydrophobicContact CZ2-CG 3.7Å; L547-M578 HydrophobicContact CB-SD 4.01Å; L547-M578 HydrophobicContact CD2-SD 4.32Å; D558-M578 HydrophobicContact CB-CB 4.21Å; D558-M578 PolarHBondContact O-N 2.73Å; I560-M578 HydrophobicContact CG1-CG 4.38Å; M578-C580 WeakPolarHBondContact CB-O 3.28Å; M578-C580 PolarHBondContact O-N 3.1Å; M578-C580 VanDerWaalsContact O-N 3.16Å; M578-L582 HydrophobicContact CE-CB 4.37Å; M578-L585 HydrophobicContact SD-CD1 4.43Å |
| 579 | P | 88.1 | Confident | 88.6 | Confident | 57 Ų | 57 | 49 Ų | 49 | 37% | 0.37 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -61 | -24 | 178.3 | -24.6 | 34.9 | 0 | 0 | 0 | 114.1 | L299 W307 C603 | L299-P579 HydrophobicContact CD2-CG 4.37Å; W307-P579 HydrophobicContact CB-CG 3.49Å; W307-P579 VanDerWaalsContact CB-CG 3.49Å; W307-P579 HydrophobicContact CD2-CG 4.31Å; W307-P579 HydrophobicContact CG-CG 3.8Å; P579-C603 HydrophobicContact CB-CB 3.82Å; P579-C603 HydrophobicContact CG-CB 3.53Å; P579-C603 WeakPolarHBondContact CG-SG 3.37Å |
| 580 | C | 85.7 | Confident | 88.4 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -145.2 | 156.1 | 178.2 | 57 | 0 | 0 | 0 | 0 | 111 | M578 | M578-C580 WeakPolarHBondContact CB-O 3.28Å; M578-C580 PolarHBondContact O-N 3.1Å; M578-C580 VanDerWaalsContact O-N 3.16Å |
| 581 | K | 89.3 | Confident | 88.2 | Confident | 105 Ų | 105 | 45.1 Ų | 45.1 | 46% | 0.457 | 23% | 0.23 | S | C | . | . | trans | -82.4 | 116.9 | 176.4 | -65.3 | 171.3 | 172.4 | -173.2 | 0 | 108.5 | Y556 D558 | Y556-K581 VanDerWaalsContact O-CD 3.28Å; Y556-K581 WeakPolarHBondContact O-CD 3.36Å; D558-K581 HydrophobicContact CB-CG 3.91Å; D558-K581 WeakPolarHBondContact OD2-CE 3.48Å | ||
| 582 | L | 85.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -124.7 | 142.6 | -173.7 | -64 | 176 | 0 | 0 | 0 | 111.1 | V284 M288 I289 N295 L299 G549 M578 L585 | V284-L582 HydrophobicContact CG1-CD1 4.39Å; M288-L582 WeakPolarHBondContact O-CA 3.27Å; I289-L582 HydrophobicContact CD1-CD2 4.47Å; I289-L582 HydrophobicContact CG1-CD2 3.6Å; N295-L582 HydrophobicContact CB-CD2 3.8Å; L299-L582 HydrophobicContact CD1-CD1 3.79Å; G549-L582 WeakPolarHBondContact CA-O 3.22Å; G549-L582 PolarHBondContact N-O 3.47Å; M578-L582 HydrophobicContact CE-CB 4.37Å; L582-L585 HydrophobicContact CB-CB 4.41Å; L582-L585 HydrophobicContact CB-CD2 4.03Å; L582-L585 VanDerWaalsContact O-CD2 3.26Å; L582-L585 WeakPolarHBondContact O-CD2 3.04Å | ||
| 583 | D | 84.1 | Confident | 88.1 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -122 | 154.2 | 168.9 | -176.6 | 44.2 | 0 | 0 | 0 | 111.3 | G287 M288 G534 Y556 L585 | G287-D583 CarbonylContact C-O 3.54Å; G287-D583 VanDerWaalsContact CA-O 3.24Å; G287-D583 WeakPolarHBondContact CA-O 3.3Å; M288-D583 PolarHBondContact N-O 3.01Å; M288-D583 PolarHBondContact O-N 2.95Å; G534-D583 VanDerWaalsContact CA-OD1 3.32Å; G534-D583 WeakPolarHBondContact CA-OD1 3.34Å; Y556-D583 HydrophobicContact CD1-CB 3.71Å; Y556-D583 HydrophobicContact CE1-CB 3.56Å; D583-L585 PolarHBondContact O-N 2.7Å |
| 584 | G | 81.3 | Confident | 88.3 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 22% | 0.216 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 63.6 | 26.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G534 | G534-G584 WeakPolarHBondContact O-CA 3.43Å; G534-G584 PolarHBondContact O-N 3.03Å |
| 585 | L | 85.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -76.4 | 145.1 | -176.1 | 61.8 | 136.9 | 0 | 0 | 0 | 112 | V284 G534 L547 M578 L582 D583 V587 | V284-L585 HydrophobicContact CG1-CB 3.94Å; V284-L585 HydrophobicContact CG1-CD1 3.74Å; V284-L585 HydrophobicContact CG1-CG 4.49Å; G534-L585 PolarHBondContact O-N 3.34Å; L547-L585 HydrophobicContact CB-CD1 3.85Å; L547-L585 WeakPolarHBondContact O-CD2 3.44Å; M578-L585 HydrophobicContact SD-CD1 4.43Å; L582-L585 HydrophobicContact CB-CB 4.41Å; L582-L585 HydrophobicContact CB-CD2 4.03Å; L582-L585 VanDerWaalsContact O-CD2 3.26Å; L582-L585 WeakPolarHBondContact O-CD2 3.04Å; D583-L585 PolarHBondContact O-N 2.7Å; L585-V587 HydrophobicContact CD1-CG2 3.54Å | ||
| 586 | Q | 86.9 | Confident | 88 | Confident | 22 Ų | 22 | 35 Ų | 35 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.3 | 174 | -57.8 | -62 | -45.3 | 0 | 0 | 108.9 | V284 F285 D320 L322 | V284-Q586 CarbonylContact C-O 3.44Å; V284-Q586 WeakPolarHBondContact CA-O 3.37Å; F285-Q586 HydrophobicContact CB-CB 4.35Å; F285-Q586 PolarHBondContact N-O 3.06Å; F285-Q586 PolarHBondContact O-N 3.12Å; D320-Q586 PolarHBondContact O-NE2 2.8Å; L322-Q586 HydrophobicContact CB-CB 3.77Å; L322-Q586 HydrophobicContact CB-CG 3.94Å; L322-Q586 HydrophobicContact CD1-CB 3.72Å; L322-Q586 HydrophobicContact CG-CB 4.38Å |
| 587 | V | 89.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 34 Ų | 34 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.1 | -175.5 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | T282 A283 V284 A538 L547 L585 | T282-V587 HydrophobicContact CG2-CG1 3.56Å; A283-V587 WeakPolarHBondContact O-CA 3.48Å; V284-V587 HydrophobicContact CG1-CG2 4.33Å; V284-V587 HydrophobicContact CG2-CG1 4.37Å; V284-V587 HydrophobicContact CG2-CG2 4.14Å; A538-V587 HydrophobicContact CB-CB 4.23Å; A538-V587 HydrophobicContact CB-CG1 3.63Å; L547-V587 HydrophobicContact CB-CG2 4.47Å; L547-V587 HydrophobicContact CD1-CG1 4.15Å; L547-V587 HydrophobicContact CD1-CG2 4.24Å; L585-V587 HydrophobicContact CD1-CG2 3.54Å |
| 588 | C | 90.3 | Very high | 87 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 169 | 177.4 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | T282 A283 F285 L322 I324 | T282-C588 CarbonylContact C-O 3.53Å; T282-C588 WeakPolarHBondContact CA-O 3.46Å; A283-C588 PolarHBondContact N-O 2.76Å; A283-C588 PolarHBondContact O-N 2.71Å; F285-C588 WeakPolarHBondContact CD2-SG 3.48Å; F285-C588 WeakPolarHBondContact CE2-SG 3.5Å; L322-C588 HydrophobicContact CD2-CB 4.2Å; I324-C588 HydrophobicContact CD1-CB 3.29Å; I324-C588 HydrophobicContact CG1-CB 4.04Å |
| 589 | S | 90.6 | Very high | 86 | Confident | 49 Ų | 49 | 39 Ų | 39 | 34% | 0.343 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.2 | 171.9 | -161.9 | 0 | 0 | 0 | 0 | 108.7 | P280 Q281 | P280-S589 WeakPolarHBondContact CB-OG 3.41Å; Q281-S589 WeakPolarHBondContact O-CA 3.34Å |
| 590 | L | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 143.4 | -178 | -65.4 | 176.7 | 0 | 0 | 0 | 112.1 | P280 Q281 A283 F285 I324 N327 V329 F592 | P280-L590 CarbonylContact C-O 3.57Å; P280-L590 WeakPolarHBondContact CA-O 3.28Å; Q281-L590 PolarHBondContact N-O 2.82Å; Q281-L590 PolarHBondContact O-N 3.44Å; A283-L590 HydrophobicContact CB-CD1 4.27Å; F285-L590 HydrophobicContact CE2-CD1 3.54Å; F285-L590 HydrophobicContact CZ-CD1 3.59Å; I324-L590 HydrophobicContact CG2-CD2 4.27Å; N327-L590 VanDerWaalsContact OD1-CA 3.23Å; N327-L590 WeakPolarHBondContact OD1-CA 3.33Å; N327-L590 WeakPolarHBondContact OD1-CD2 3.37Å; V329-L590 HydrophobicContact CG2-CD1 3.63Å; V329-L590 HydrophobicContact CG2-CD2 3.79Å; V329-L590 HydrophobicContact CG2-CG 4.22Å; L590-F592 HydrophobicContact CB-CD2 4.21Å; L590-F592 HydrophobicContact CB-CE2 3.58Å; L590-F592 HydrophobicContact CB-CZ 4.05Å; L590-F592 HydrophobicContact CD1-CE2 4.23Å; L590-F592 HydrophobicContact CD1-CZ 3.89Å |
| 591 | H | 93 | Very high | 85.2 | Confident | 63 Ų | 63 | 43 Ų | 43 | 29% | 0.292 | 21% | 0.207 | S | C | . | . | trans | -81.2 | 132.2 | 166.1 | -72.6 | -86.3 | 0 | 0 | 0 | 110.5 | I275 S277 N327 | I275-H591 HydrophobicContact CB-CB 4.42Å; I275-H591 HydrophobicContact CG2-CB 4.49Å; S277-H591 WeakPolarHBondContact CB-ND1 3.32Å; S277-H591 PolarHBondContact O-CE1 2.76Å; S277-H591 PolarHBondContact O-ND1 3.41Å; S277-H591 PolarHBondContact OG-ND1 3.11Å; S277-H591 VanDerWaalsContact OG-ND1 3.15Å; N327-H591 PolarHBondContact ND2-O 2.93Å; N327-H591 PolarHBondContact OD1-N 2.91Å | ||
| 592 | F | 90.8 | Very high | 84.6 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | trans | -122.3 | 139.9 | 172.5 | -67.2 | -91.8 | 0 | 0 | 0 | 109.1 | S277 Q281 A283 L300 L310 Y352 P354 L590 L597 | S277-F592 WeakPolarHBondContact CB-O 3.45Å; S277-F592 PolarHBondContact OG-O 3.47Å; Q281-F592 HydrophobicContact CB-CD2 4.05Å; Q281-F592 HydrophobicContact CB-CE2 4.25Å; Q281-F592 HydrophobicContact CG-CD2 4.08Å; A283-F592 HydrophobicContact CB-CE2 4.36Å; A283-F592 HydrophobicContact CB-CZ 4.46Å; L300-F592 HydrophobicContact CD2-CD2 4.47Å; L300-F592 HydrophobicContact CD2-CE2 3.69Å; L300-F592 HydrophobicContact CD2-CZ 3.87Å; L310-F592 HydrophobicContact CD2-CE1 4.07Å; Y352-F592 HydrophobicContact CE1-CE1 4.01Å; Y352-F592 HydrophobicContact CE1-CZ 4.44Å; P354-F592 HydrophobicContact CB-CD1 3.62Å; P354-F592 HydrophobicContact CB-CE1 3.57Å; P354-F592 HydrophobicContact CB-CG 4.35Å; P354-F592 HydrophobicContact CB-CZ 4.27Å; L590-F592 HydrophobicContact CB-CD2 4.21Å; L590-F592 HydrophobicContact CB-CE2 3.58Å; L590-F592 HydrophobicContact CB-CZ 4.05Å; L590-F592 HydrophobicContact CD1-CE2 4.23Å; L590-F592 HydrophobicContact CD1-CZ 3.89Å; F592-L597 HydrophobicContact CB-CD1 4.1Å; F592-L597 HydrophobicContact CB-CD2 3.87Å; F592-L597 HydrophobicContact CB-CG 3.98Å; F592-L597 HydrophobicContact CD1-CD2 4.41Å; F592-L597 HydrophobicContact CG-CD2 4.1Å | ||
| 593 | P | 88.8 | Confident | 84.1 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | trans | -64.7 | 143.7 | 162.7 | -6.2 | 19.8 | 0 | 0 | 0 | 110 | I275 P354 Y595 V596 L597 | I275-P593 HydrophobicContact CG2-CB 4.32Å; I275-P593 HydrophobicContact CG2-CG 3.8Å; P354-P593 WeakPolarHBondContact O-CD 3.28Å; P593-Y595 HydrophobicContact CB-CD1 3.7Å; P593-Y595 HydrophobicContact CB-CD2 4.48Å; P593-Y595 HydrophobicContact CB-CE1 3.21Å; P593-Y595 HydrophobicContact CB-CE2 4.07Å; P593-Y595 HydrophobicContact CB-CG 4.31Å; P593-Y595 HydrophobicContact CG-CE1 4.05Å; P593-Y595 HydrophobicContact CG-CE2 4.34Å; P593-Y595 PolarHBondContact O-N 2.85Å; P593-V596 HydrophobicContact CB-CG2 4.13Å; P593-V596 HydrophobicContact CG-CG2 3.86Å; P593-V596 WeakPolarHBondContact O-CB 3.25Å; P593-V596 PolarHBondContact O-N 3.39Å; P593-V596 VanDerWaalsContact O-N 3.16Å; P593-L597 PolarHBondContact O-N 2.82Å | ||
| 594 | E | 87.8 | Confident | 83 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72 | -30.6 | -174.2 | -174.4 | 175.2 | -173.2 | 0 | 0 | 112.5 | S190 V596 L597 E598 | S190-E594 WeakPolarHBondContact O-CB 3.16Å; S190-E594 PolarHBondContact O-N 3.45Å; S190-E594 PolarHBondContact OG-OE2 3.49Å; E594-V596 PolarHBondContact O-N 3.28Å; E594-L597 CarbonylContact O-C 3.33Å; E594-L597 VanDerWaalsContact O-CA 3.32Å; E594-L597 WeakPolarHBondContact O-CA 3.34Å; E594-L597 WeakPolarHBondContact O-CB 3.26Å; E594-L597 PolarHBondContact O-N 2.87Å; E594-E598 PolarHBondContact O-N 3.29Å |
| 595 | Y | 84.3 | Confident | 83.1 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -26.9 | 171.6 | 60.7 | -97.6 | 0 | 0 | 0 | 113.6 | R191 P193 P593 L597 H599 | R191-Y595 WeakPolarHBondContact O-CB 3.28Å; P193-Y595 HydrophobicContact CB-CE1 4.42Å; P193-Y595 HydrophobicContact CG-CD1 4.09Å; P193-Y595 HydrophobicContact CG-CD2 4.18Å; P193-Y595 HydrophobicContact CG-CE1 4.39Å; P193-Y595 HydrophobicContact CG-CG 3.98Å; P593-Y595 HydrophobicContact CB-CD1 3.7Å; P593-Y595 HydrophobicContact CB-CD2 4.48Å; P593-Y595 HydrophobicContact CB-CE1 3.21Å; P593-Y595 HydrophobicContact CB-CE2 4.07Å; P593-Y595 HydrophobicContact CB-CG 4.31Å; P593-Y595 HydrophobicContact CG-CE1 4.05Å; P593-Y595 HydrophobicContact CG-CE2 4.34Å; P593-Y595 PolarHBondContact O-N 2.85Å; Y595-L597 VanDerWaalsContact C-N 3.32Å; Y595-H599 PolarHBondContact O-ND1 3.03Å |
| 596 | V | 84.5 | Confident | 83 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.8 | -35.6 | 171.7 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | R355 N357 P593 E594 E598 | R355-V596 WeakPolarHBondContact O-CG2 3.17Å; N357-V596 HydrophobicContact CB-CG1 3.94Å; P593-V596 HydrophobicContact CB-CG2 4.13Å; P593-V596 HydrophobicContact CG-CG2 3.86Å; P593-V596 WeakPolarHBondContact O-CB 3.25Å; P593-V596 PolarHBondContact O-N 3.39Å; P593-V596 VanDerWaalsContact O-N 3.16Å; E594-V596 PolarHBondContact O-N 3.28Å; V596-E598 VanDerWaalsContact C-N 3.35Å |
| 597 | L | 83.3 | Confident | 82.8 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.7 | -18.9 | 177.8 | -57.5 | -178.7 | 0 | 0 | 0 | 113.2 | L300 F592 P593 E594 Y595 H599 V600 | L300-L597 HydrophobicContact CD1-CD2 3.52Å; F592-L597 HydrophobicContact CB-CD1 4.1Å; F592-L597 HydrophobicContact CB-CD2 3.87Å; F592-L597 HydrophobicContact CB-CG 3.98Å; F592-L597 HydrophobicContact CD1-CD2 4.41Å; F592-L597 HydrophobicContact CG-CD2 4.1Å; P593-L597 PolarHBondContact O-N 2.82Å; E594-L597 CarbonylContact O-C 3.33Å; E594-L597 VanDerWaalsContact O-CA 3.32Å; E594-L597 WeakPolarHBondContact O-CA 3.34Å; E594-L597 WeakPolarHBondContact O-CB 3.26Å; E594-L597 PolarHBondContact O-N 2.87Å; Y595-L597 VanDerWaalsContact C-N 3.32Å; L597-H599 PolarHBondContact O-N 2.79Å; L597-V600 HydrophobicContact CB-CG2 4.31Å; L597-V600 HydrophobicContact CD2-CG1 4.03Å; L597-V600 WeakPolarHBondContact O-CB 3.43Å; L597-V600 WeakPolarHBondContact O-CG2 3.44Å; L597-V600 PolarHBondContact O-N 3.19Å |
| 598 | E | 75.1 | Confident | 82.4 | Confident | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.8 | 173.9 | -70.6 | -169.7 | 155 | 0 | 0 | 113 | R191 E594 V596 | R191-E598 IonicContact CZ-OE1 2.74Å; R191-E598 IonicContact NE-OE1 3.27Å; R191-E598 PolarHBondContact NE-OE1 3.02Å; R191-E598 VanDerWaalsContact NE-OE1 3.07Å; R191-E598 IonicContact NH2-OE1 3.82Å; R191-E598 PolarHBondContact NH2-OE1 3.22Å; E594-E598 PolarHBondContact O-N 3.29Å; V596-E598 VanDerWaalsContact C-N 3.35Å |
| 599 | H | 70.2 | Confident | 81.9 | Confident | 149 Ų | 149 | 67.8 Ų | 67.8 | 69% | 0.69 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 0.1 | 177 | -60.5 | 83.9 | 0 | 0 | 0 | 113.5 | Y595 L597 | Y595-H599 PolarHBondContact O-ND1 3.03Å; L597-H599 PolarHBondContact O-N 2.79Å |
| 600 | V | 78.1 | Confident | 81.3 | Confident | 18 Ų | 18 | 69 Ų | 69 | 11% | 0.109 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 143 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | L300 W308 E309 L310 L597 | L300-V600 HydrophobicContact CD1-CG1 4.14Å; W308-V600 HydrophobicContact CB-CB 4.23Å; W308-V600 HydrophobicContact CB-CG2 4.01Å; W308-V600 HydrophobicContact CD2-CG2 3.85Å; W308-V600 HydrophobicContact CE3-CB 4.15Å; W308-V600 HydrophobicContact CE3-CG2 3.31Å; W308-V600 HydrophobicContact CG-CG2 4.16Å; W308-V600 HydrophobicContact CZ3-CG2 4.02Å; E309-V600 WeakPolarHBondContact O-CA 3.31Å; E309-V600 WeakPolarHBondContact O-CB 3.45Å; L310-V600 HydrophobicContact CB-CG1 3.77Å; L310-V600 HydrophobicContact CD1-CG1 3.6Å; L310-V600 HydrophobicContact CG-CG1 4.23Å; L597-V600 HydrophobicContact CB-CG2 4.31Å; L597-V600 HydrophobicContact CD2-CG1 4.03Å; L597-V600 WeakPolarHBondContact O-CB 3.43Å; L597-V600 WeakPolarHBondContact O-CG2 3.44Å; L597-V600 PolarHBondContact O-N 3.19Å |
| 601 | R | 77.6 | Confident | 80.5 | Confident | 152 Ų | 152 | 73.9 Ų | 73.9 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.1 | 173.8 | -65.6 | 179.4 | -179.4 | 155.1 | 2.8 | 108.6 | W308 E309 E311 C603 | W308-R601 CarbonylContact C-O 3.52Å; W308-R601 WeakPolarHBondContact CA-O 3.2Å; E309-R601 HydrophobicContact CG-CB 3.95Å; E309-R601 WeakPolarHBondContact CG-O 3.45Å; E309-R601 PolarHBondContact N-O 3.18Å; E309-R601 PolarHBondContact O-N 2.81Å; E311-R601 IonicContact OE1-NH1 2.65Å; E311-R601 PolarHBondContact OE1-NH1 3.2Å; R601-C603 PolarHBondContact O-N 3.01Å |
| 602 | R | 78.3 | Confident | 79.6 | Confident | 172 Ų | 172 | 74.8 Ų | 74.8 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 129.9 | 169.8 | -176.2 | 177.2 | 172.9 | 176.9 | 0.3 | 107.6 | V306 W308 | V306-R602 HydrophobicContact CG1-CG 3.94Å; W308-R602 HydrophobicContact CD2-CB 4.32Å; W308-R602 HydrophobicContact CE3-CB 3.94Å; W308-R602 VanDerWaalsContact CE3-N 3.27Å; W308-R602 HydrophobicContact CH2-CB 4.16Å; W308-R602 HydrophobicContact CZ2-CB 4.5Å; W308-R602 HydrophobicContact CZ3-CB 3.87Å |
| 603 | C | 75.4 | Confident | 78.6 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 136.7 | 173.5 | -62.1 | 0 | 0 | 0 | 0 | 109.2 | W307 W308 P579 R601 | W307-C603 HydrophobicContact CB-CB 4.17Å; W307-C603 PolarHBondContact O-N 3Å; W308-C603 VanDerWaalsContact C-SG 3.56Å; P579-C603 HydrophobicContact CB-CB 3.82Å; P579-C603 HydrophobicContact CG-CB 3.53Å; P579-C603 WeakPolarHBondContact CG-SG 3.37Å; R601-C603 PolarHBondContact O-N 3.01Å |
| 604 | S | 60.3 | Low | 77.7 | Confident | 187 Ų | 187 | 87.7 Ų | 87.7 | 100% | 1.308 | 43% | 0.428 | S | S | * | . | trans | -64.1 | 0 | -179.9 | 57.6 | 0 | 0 | 0 | 0 | 113 |
Retrieved 604 of 604 residues in 274.9 ms
(Link to these results)