| 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 | K | 42.7 | Very low | 44.6 | Very low | 228 Ų | 228 | 125.1 Ų | 125.1 | 99% | 0.991 | 62% | 0.62 | S | S | * | * | 0 | -34.4 | 0 | -77.2 | -176.7 | 175.8 | 178.9 | 0 | 113.1 | |||||
| 2 | M | 35.4 | Very low | 45.1 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 72% | 0.719 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.1 | -28.3 | 177.1 | -121.9 | 169.4 | 74.3 | 0 | 0 | 115.5 | F6 | M2-F6 PolarHBondContact O-N 2.71Å |
| 3 | S | 43.3 | Very low | 45.4 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.8 | -29.7 | -179.1 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | Y7 | S3-Y7 PolarHBondContact O-N 3.18Å; S3-Y7 VanDerWaalsContact O-N 3.15Å |
| 4 | T | 43.2 | Very low | 45.8 | Very low | 86 Ų | 86 | 125.6 Ų | 125.6 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.3 | -34.6 | 179.5 | -29.3 | 0 | 0 | 0 | 0 | 111.6 | Q8 | T4-Q8 WeakPolarHBondContact O-CB 3.17Å; T4-Q8 WeakPolarHBondContact O-CG 3.35Å; T4-Q8 PolarHBondContact O-N 3.04Å; T4-Q8 VanDerWaalsContact O-N 3.11Å |
| 5 | Q | 42.3 | Very low | 46.1 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.7 | -37.9 | 174.6 | -83.3 | 179.7 | -33.7 | 0 | 0 | 112.5 | Q8 M9 | Q5-Q8 PolarHBondContact O-N 2.77Å; Q5-M9 WeakPolarHBondContact O-CB 3.26Å; Q5-M9 PolarHBondContact O-N 2.89Å |
| 6 | F | 45.4 | Very low | 46.3 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 63% | 0.627 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.9 | -40.2 | 174.4 | -100 | -85.1 | 0 | 0 | 0 | 112.5 | M2 M9 S10 | M2-F6 PolarHBondContact O-N 2.71Å; F6-M9 PolarHBondContact O-N 2.71Å; F6-S10 WeakPolarHBondContact O-CB 2.8Å; F6-S10 PolarHBondContact O-N 2.57Å; F6-S10 PolarHBondContact O-OG 3.45Å |
| 7 | Y | 46.9 | Very low | 46.8 | Very low | 166 Ų | 166 | 116.2 Ų | 116.2 | 65% | 0.651 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.9 | -37.2 | 177.4 | -162 | -95.1 | 0 | 0 | 0 | 112.3 | S3 S10 T11 | S3-Y7 PolarHBondContact O-N 3.18Å; S3-Y7 VanDerWaalsContact O-N 3.15Å; Y7-S10 WeakPolarHBondContact CA-OG 3.47Å; Y7-S10 PolarHBondContact O-OG 3.14Å; Y7-T11 HydrophobicContact CD1-CG2 4.35Å; Y7-T11 HydrophobicContact CE1-CG2 4.13Å; Y7-T11 WeakPolarHBondContact O-CB 3.26Å; Y7-T11 WeakPolarHBondContact O-CG2 3.35Å; Y7-T11 PolarHBondContact O-N 3.04Å; Y7-T11 PolarHBondContact O-OG1 3.43Å |
| 8 | Q | 46.5 | Very low | 47.1 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 59% | 0.589 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.2 | -36.9 | 173.7 | -77.6 | 179.1 | -28.7 | 0 | 0 | 112.4 | T4 Q5 T11 K12 | T4-Q8 WeakPolarHBondContact O-CB 3.17Å; T4-Q8 WeakPolarHBondContact O-CG 3.35Å; T4-Q8 PolarHBondContact O-N 3.04Å; T4-Q8 VanDerWaalsContact O-N 3.11Å; Q5-Q8 PolarHBondContact O-N 2.77Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.34Å; Q8-T11 PolarHBondContact O-OG1 2.8Å; Q8-K12 VanDerWaalsContact O-CB 3.24Å; Q8-K12 WeakPolarHBondContact O-CB 3.37Å; Q8-K12 PolarHBondContact O-N 3.1Å |
| 9 | M | 44.7 | Very low | 47.3 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -41.2 | 173.1 | -109.3 | 177.9 | 75.9 | 0 | 0 | 112 | Q5 F6 K12 L13 | Q5-M9 WeakPolarHBondContact O-CB 3.26Å; Q5-M9 PolarHBondContact O-N 2.89Å; F6-M9 PolarHBondContact O-N 2.71Å; M9-K12 PolarHBondContact O-N 2.98Å; M9-L13 VanDerWaalsContact O-CB 3.3Å; M9-L13 WeakPolarHBondContact O-CB 3.38Å; M9-L13 PolarHBondContact O-N 3.39Å |
| 10 | S | 48.1 | Very low | 47.5 | Very low | 52 Ų | 52 | 118.6 Ų | 118.6 | 36% | 0.364 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.4 | -38.3 | 179.6 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | F6 Y7 L14 | F6-S10 WeakPolarHBondContact O-CB 2.8Å; F6-S10 PolarHBondContact O-N 2.57Å; F6-S10 PolarHBondContact O-OG 3.45Å; Y7-S10 WeakPolarHBondContact CA-OG 3.47Å; Y7-S10 PolarHBondContact O-OG 3.14Å; S10-L14 VanDerWaalsContact O-CB 3.29Å; S10-L14 WeakPolarHBondContact O-CB 3.39Å; S10-L14 WeakPolarHBondContact O-CD1 3.33Å; S10-L14 WeakPolarHBondContact O-CG 3.38Å; S10-L14 PolarHBondContact O-N 2.89Å |
| 11 | T | 51.8 | Low | 47.7 | Very low | 69 Ų | 69 | 115 Ų | 115 | 42% | 0.423 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.4 | -35.3 | 175.4 | 42.1 | 0 | 0 | 0 | 0 | 112.2 | Y7 Q8 G15 | Y7-T11 HydrophobicContact CD1-CG2 4.35Å; Y7-T11 HydrophobicContact CE1-CG2 4.13Å; Y7-T11 WeakPolarHBondContact O-CB 3.26Å; Y7-T11 WeakPolarHBondContact O-CG2 3.35Å; Y7-T11 PolarHBondContact O-N 3.04Å; Y7-T11 PolarHBondContact O-OG1 3.43Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.34Å; Q8-T11 PolarHBondContact O-OG1 2.8Å; T11-G15 PolarHBondContact O-N 3.28Å |
| 12 | K | 50.5 | Low | 48.1 | Very low | 150 Ų | 150 | 110.9 Ų | 110.9 | 65% | 0.652 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.9 | -40.3 | 174.3 | -154.3 | 175.6 | -171.7 | -176.1 | 0 | 112 | Q8 M9 G15 D16 | Q8-K12 VanDerWaalsContact O-CB 3.24Å; Q8-K12 WeakPolarHBondContact O-CB 3.37Å; Q8-K12 PolarHBondContact O-N 3.1Å; M9-K12 PolarHBondContact O-N 2.98Å; K12-G15 PolarHBondContact O-N 2.71Å; K12-D16 WeakPolarHBondContact O-CB 3.15Å; K12-D16 VanDerWaalsContact O-CG 3.31Å; K12-D16 PolarHBondContact O-N 2.82Å |
| 13 | L | 49.1 | Very low | 49 | Very low | 120 Ų | 120 | 113 Ų | 113 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -43.5 | 173.8 | -153.6 | 85.2 | 0 | 0 | 0 | 111.2 | M9 T17 | M9-L13 VanDerWaalsContact O-CB 3.3Å; M9-L13 WeakPolarHBondContact O-CB 3.38Å; M9-L13 PolarHBondContact O-N 3.39Å; L13-T17 VanDerWaalsContact O-CB 3.28Å; L13-T17 WeakPolarHBondContact O-CB 3.33Å; L13-T17 PolarHBondContact O-N 2.95Å; L13-T17 PolarHBondContact O-OG1 3.46Å |
| 14 | L | 51.9 | Low | 49.8 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.5 | -40.3 | 174.6 | -81.2 | 161.3 | 0 | 0 | 0 | 112.1 | S10 T17 M18 | S10-L14 VanDerWaalsContact O-CB 3.29Å; S10-L14 WeakPolarHBondContact O-CB 3.39Å; S10-L14 WeakPolarHBondContact O-CD1 3.33Å; S10-L14 WeakPolarHBondContact O-CG 3.38Å; S10-L14 PolarHBondContact O-N 2.89Å; L14-T17 PolarHBondContact O-N 3.02Å; L14-M18 WeakPolarHBondContact O-CB 3.28Å; L14-M18 WeakPolarHBondContact O-CG 3.34Å; L14-M18 PolarHBondContact O-N 2.83Å |
| 15 | G | 49.2 | Very low | 51 | Low | 42 Ų | 42 | 115.8 Ų | 115.8 | 43% | 0.433 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.2 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T11 K12 T17 M18 G19 | T11-G15 PolarHBondContact O-N 3.28Å; K12-G15 PolarHBondContact O-N 2.71Å; G15-T17 VanDerWaalsContact C-N 3.34Å; G15-M18 PolarHBondContact O-N 3.11Å; G15-G19 PolarHBondContact O-N 2.91Å |
| 16 | D | 50.3 | Low | 52 | Low | 101 Ų | 101 | 113.7 Ų | 113.7 | 54% | 0.54 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.3 | -30 | 178.2 | -73.5 | -18.7 | 0 | 0 | 0 | 112.2 | K12 K20 | K12-D16 WeakPolarHBondContact O-CB 3.15Å; K12-D16 VanDerWaalsContact O-CG 3.31Å; K12-D16 PolarHBondContact O-N 2.82Å; D16-K20 PolarHBondContact O-N 2.97Å |
| 17 | T | 54.3 | Low | 53.1 | Low | 73 Ų | 73 | 109.3 Ų | 109.3 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -76.4 | -40.9 | 175.3 | -46.5 | 0 | 0 | 0 | 0 | 110.9 | L13 L14 G15 K20 M21 | L13-T17 VanDerWaalsContact O-CB 3.28Å; L13-T17 WeakPolarHBondContact O-CB 3.33Å; L13-T17 PolarHBondContact O-N 2.95Å; L13-T17 PolarHBondContact O-OG1 3.46Å; L14-T17 PolarHBondContact O-N 3.02Å; G15-T17 VanDerWaalsContact C-N 3.34Å; T17-K20 PolarHBondContact O-N 3.03Å; T17-M21 HydrophobicContact CG2-SD 4.13Å; T17-M21 WeakPolarHBondContact O-CB 3.45Å; T17-M21 WeakPolarHBondContact O-CG 3.44Å; T17-M21 PolarHBondContact O-N 2.95Å |
| 18 | M | 51.6 | Low | 54.2 | Low | 148 Ų | 148 | 105.7 Ų | 105.7 | 73% | 0.729 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.4 | -34.6 | 174.6 | -78.9 | -164.4 | 126.4 | 0 | 0 | 112.7 | L14 G15 K20 M21 | L14-M18 WeakPolarHBondContact O-CB 3.28Å; L14-M18 WeakPolarHBondContact O-CG 3.34Å; L14-M18 PolarHBondContact O-N 2.83Å; G15-M18 PolarHBondContact O-N 3.11Å; M18-K20 VanDerWaalsContact C-N 3.27Å; M18-K20 PolarHBondContact O-N 3.18Å; M18-M21 PolarHBondContact O-N 2.89Å |
| 19 | G | 50.7 | Low | 55.4 | Low | 63 Ų | 63 | 103.6 Ų | 103.6 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.4 | -25.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G15 | G15-G19 PolarHBondContact O-N 2.91Å |
| 20 | K | 51.5 | Low | 56.7 | Low | 185 Ų | 185 | 102.9 Ų | 102.9 | 80% | 0.804 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -96.2 | -7.1 | 177.1 | -72.9 | -177.5 | 178 | 179 | 0 | 114.4 | D16 T17 M18 | D16-K20 PolarHBondContact O-N 2.97Å; T17-K20 PolarHBondContact O-N 3.03Å; M18-K20 VanDerWaalsContact C-N 3.27Å; M18-K20 PolarHBondContact O-N 3.18Å |
| 21 | M | 51.5 | Low | 57.9 | Low | 43 Ų | 43 | 102.4 Ų | 102.4 | 21% | 0.212 | 56% | 0.564 | C | S | . | * | trans | -92.5 | 9.6 | -175 | -84.8 | -175.6 | 79.5 | 0 | 0 | 114.5 | T17 M18 E23 S27 L28 A31 | T17-M21 HydrophobicContact CG2-SD 4.13Å; T17-M21 WeakPolarHBondContact O-CB 3.45Å; T17-M21 WeakPolarHBondContact O-CG 3.44Å; T17-M21 PolarHBondContact O-N 2.95Å; M18-M21 PolarHBondContact O-N 2.89Å; M21-E23 PolarHBondContact O-N 3.15Å; M21-S27 WeakPolarHBondContact CE-O 3.49Å; M21-L28 WeakPolarHBondContact O-CD1 3.45Å; M21-A31 HydrophobicContact CE-CB 3.27Å; M21-A31 HydrophobicContact SD-CB 4.17Å | ||
| 22 | N | 51.6 | Low | 58.8 | Low | 142 Ų | 142 | 101.7 Ų | 101.7 | 76% | 0.759 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 6.8 | -171.7 | -142.2 | 22 | 0 | 0 | 0 | 115.2 | ||
| 23 | E | 54.6 | Low | 59.9 | Low | 190 Ų | 190 | 97 Ų | 97 | 89% | 0.888 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 1.9 | -175.5 | -70.3 | -164.6 | 168.7 | 0 | 0 | 115.7 | M21 | M21-E23 PolarHBondContact O-N 3.15Š|
| 24 | N | 61 | Low | 61.4 | Low | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | trans | -147.2 | 114.9 | 174.7 | -130.7 | -23.7 | 0 | 0 | 0 | 112.8 | T26 S27 L28 | N24-T26 PolarHBondContact O-N 3.39Å; N24-T26 VanDerWaalsContact O-N 3.15Å; N24-T26 PolarHBondContact OD1-OG1 3.35Å; N24-S27 WeakPolarHBondContact O-CB 3.47Å; N24-S27 PolarHBondContact O-N 2.95Å; N24-L28 PolarHBondContact O-N 3.19Å | ||
| 25 | L | 66.5 | Low | 62.8 | Low | 142 Ų | 142 | 98.1 Ų | 98.1 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -54.5 | -33.6 | 179.2 | -173.8 | 67.4 | 0 | 0 | 0 | 111.7 | L28 V29 | L25-L28 PolarHBondContact O-N 3.26Å; L25-V29 WeakPolarHBondContact O-CB 3.36Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.2Å |
| 26 | T | 65.2 | Low | 64 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -42.6 | 175.4 | 41.3 | 0 | 0 | 0 | 0 | 112.9 | N24 V29 L30 | N24-T26 PolarHBondContact O-N 3.39Å; N24-T26 VanDerWaalsContact O-N 3.15Å; N24-T26 PolarHBondContact OD1-OG1 3.35Å; T26-V29 PolarHBondContact O-N 2.62Å; T26-L30 WeakPolarHBondContact O-CB 3.2Å; T26-L30 WeakPolarHBondContact O-CG 3.15Å; T26-L30 PolarHBondContact O-N 3.07Å |
| 27 | S | 67.6 | Low | 65.4 | Low | 51 Ų | 51 | 101.3 Ų | 101.3 | 36% | 0.357 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.2 | -41.7 | 177.3 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | M21 N24 L30 A31 | M21-S27 WeakPolarHBondContact CE-O 3.49Å; N24-S27 WeakPolarHBondContact O-CB 3.47Å; N24-S27 PolarHBondContact O-N 2.95Å; S27-L30 PolarHBondContact O-N 3.04Å; S27-A31 PolarHBondContact O-N 3.44Å |
| 28 | L | 70 | Confident | 66.4 | Low | 90 Ų | 90 | 101.3 Ų | 101.3 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -42.1 | 179.8 | -142.5 | 119.9 | 0 | 0 | 0 | 111.4 | M21 N24 L25 A31 A32 | M21-L28 WeakPolarHBondContact O-CD1 3.45Å; N24-L28 PolarHBondContact O-N 3.19Å; L25-L28 PolarHBondContact O-N 3.26Å; L28-A31 PolarHBondContact O-N 3.33Å; L28-A32 VanDerWaalsContact O-CB 3.29Å; L28-A32 WeakPolarHBondContact O-CB 3.3Å; L28-A32 PolarHBondContact O-N 2.92Å |
| 29 | V | 71.6 | Confident | 67.5 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.9 | -42.6 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L25 T26 S33 | L25-V29 WeakPolarHBondContact O-CB 3.36Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.2Å; T26-V29 PolarHBondContact O-N 2.62Å; V29-S33 VanDerWaalsContact O-CB 3.24Å; V29-S33 WeakPolarHBondContact O-CB 3.24Å; V29-S33 PolarHBondContact O-N 3.23Å; V29-S33 PolarHBondContact O-OG 3.44Å |
| 30 | L | 72.6 | Confident | 68.6 | Low | 122 Ų | 122 | 98.2 Ų | 98.2 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 177.6 | -85.7 | 161.1 | 0 | 0 | 0 | 112.2 | T26 S27 S33 L34 | T26-L30 WeakPolarHBondContact O-CB 3.2Å; T26-L30 WeakPolarHBondContact O-CG 3.15Å; T26-L30 PolarHBondContact O-N 3.07Å; S27-L30 PolarHBondContact O-N 3.04Å; L30-S33 PolarHBondContact O-N 2.87Å; L30-L34 WeakPolarHBondContact O-CB 3.41Å; L30-L34 PolarHBondContact O-N 2.83Å |
| 31 | A | 73.1 | Confident | 69.6 | Low | 41 Ų | 41 | 96.3 Ų | 96.3 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M21 S27 L28 S33 L34 F35 | M21-A31 HydrophobicContact CE-CB 3.27Å; M21-A31 HydrophobicContact SD-CB 4.17Å; S27-A31 PolarHBondContact O-N 3.44Å; L28-A31 PolarHBondContact O-N 3.33Å; A31-S33 VanDerWaalsContact C-N 3.32Å; A31-S33 PolarHBondContact O-N 3.34Å; A31-L34 PolarHBondContact O-N 3.22Å; A31-F35 VanDerWaalsContact O-CB 3.32Å; A31-F35 WeakPolarHBondContact O-CB 3.49Å; A31-F35 PolarHBondContact O-N 3.17Å |
| 32 | A | 71.4 | Confident | 70.5 | Confident | 54 Ų | 54 | 97.7 Ų | 97.7 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L28 F35 T36 | L28-A32 VanDerWaalsContact O-CB 3.29Å; L28-A32 WeakPolarHBondContact O-CB 3.3Å; L28-A32 PolarHBondContact O-N 2.92Å; A32-F35 PolarHBondContact O-N 3.49Å; A32-T36 WeakPolarHBondContact O-CB 3.35Å; A32-T36 WeakPolarHBondContact O-CG2 3.5Å; A32-T36 PolarHBondContact O-N 2.7Å; A32-T36 PolarHBondContact O-OG1 2.87Å |
| 33 | S | 72.6 | Confident | 71 | Confident | 53 Ų | 53 | 93.5 Ų | 93.5 | 37% | 0.371 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | V29 L30 A31 T36 L37 | V29-S33 VanDerWaalsContact O-CB 3.24Å; V29-S33 WeakPolarHBondContact O-CB 3.24Å; V29-S33 PolarHBondContact O-N 3.23Å; V29-S33 PolarHBondContact O-OG 3.44Å; L30-S33 PolarHBondContact O-N 2.87Å; A31-S33 VanDerWaalsContact C-N 3.32Å; A31-S33 PolarHBondContact O-N 3.34Å; S33-T36 WeakPolarHBondContact CA-OG1 3.38Å; S33-T36 PolarHBondContact O-OG1 3.34Å; S33-L37 VanDerWaalsContact O-CB 3.27Å; S33-L37 WeakPolarHBondContact O-CB 3.42Å; S33-L37 WeakPolarHBondContact O-CD1 3.41Å; S33-L37 WeakPolarHBondContact O-CG 3.3Å; S33-L37 PolarHBondContact O-N 2.85Å |
| 34 | L | 80.2 | Confident | 71.4 | Confident | 119 Ų | 119 | 91.2 Ų | 91.2 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 177.4 | -161.5 | 76 | 0 | 0 | 0 | 111 | L30 A31 L37 T38 | L30-L34 WeakPolarHBondContact O-CB 3.41Å; L30-L34 PolarHBondContact O-N 2.83Å; A31-L34 PolarHBondContact O-N 3.22Å; L34-L37 PolarHBondContact O-N 3.43Å; L34-T38 PolarHBondContact O-N 3.01Å; L34-T38 PolarHBondContact O-OG1 3.22Å |
| 35 | F | 81.7 | Confident | 71.4 | Confident | 136 Ų | 136 | 95.2 Ų | 95.2 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 179 | -170.6 | -98.9 | 0 | 0 | 0 | 111.8 | A31 A32 T38 L39 | A31-F35 VanDerWaalsContact O-CB 3.32Å; A31-F35 WeakPolarHBondContact O-CB 3.49Å; A31-F35 PolarHBondContact O-N 3.17Å; A32-F35 PolarHBondContact O-N 3.49Å; F35-T38 VanDerWaalsContact CA-OG1 3.26Å; F35-T38 WeakPolarHBondContact CA-OG1 3.12Å; F35-T38 PolarHBondContact O-N 3.21Å; F35-T38 PolarHBondContact O-OG1 2.84Å; F35-L39 WeakPolarHBondContact O-CB 3.38Å; F35-L39 PolarHBondContact O-N 2.9Å |
| 36 | T | 75 | Confident | 70.7 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 176.5 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | A32 S33 L39 G40 | A32-T36 WeakPolarHBondContact O-CB 3.35Å; A32-T36 WeakPolarHBondContact O-CG2 3.5Å; A32-T36 PolarHBondContact O-N 2.7Å; A32-T36 PolarHBondContact O-OG1 2.87Å; S33-T36 WeakPolarHBondContact CA-OG1 3.38Å; S33-T36 PolarHBondContact O-OG1 3.34Å; T36-L39 PolarHBondContact O-N 3Å; T36-G40 PolarHBondContact O-N 3.28Å |
| 37 | L | 78.2 | Confident | 70 | Confident | 123 Ų | 123 | 97.3 Ų | 97.3 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 173.7 | -74.6 | 168.9 | 0 | 0 | 0 | 111.9 | S33 L34 G40 Y41 | S33-L37 VanDerWaalsContact O-CB 3.27Å; S33-L37 WeakPolarHBondContact O-CB 3.42Å; S33-L37 WeakPolarHBondContact O-CD1 3.41Å; S33-L37 WeakPolarHBondContact O-CG 3.3Å; S33-L37 PolarHBondContact O-N 2.85Å; L34-L37 PolarHBondContact O-N 3.43Å; L37-G40 PolarHBondContact O-N 2.91Å; L37-Y41 VanDerWaalsContact O-CB 3.3Å; L37-Y41 WeakPolarHBondContact O-CB 3.38Å; L37-Y41 PolarHBondContact O-N 3.08Å |
| 38 | T | 77.1 | Confident | 69.2 | Low | 72 Ų | 72 | 100.7 Ų | 100.7 | 44% | 0.442 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.5 | 39.9 | 0 | 0 | 0 | 0 | 112.2 | L34 F35 Y41 V42 | L34-T38 PolarHBondContact O-N 3.01Å; L34-T38 PolarHBondContact O-OG1 3.22Å; F35-T38 VanDerWaalsContact CA-OG1 3.26Å; F35-T38 WeakPolarHBondContact CA-OG1 3.12Å; F35-T38 PolarHBondContact O-N 3.21Å; F35-T38 PolarHBondContact O-OG1 2.84Å; T38-Y41 PolarHBondContact O-N 3.22Å; T38-V42 WeakPolarHBondContact O-CB 3.42Å; T38-V42 VanDerWaalsContact O-CG2 3.27Å; T38-V42 WeakPolarHBondContact O-CG2 3.23Å; T38-V42 PolarHBondContact O-N 3.37Å |
| 39 | L | 74.6 | Confident | 68.2 | Low | 105 Ų | 105 | 104.6 Ų | 104.6 | 55% | 0.55 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.7 | -40.2 | 177.1 | -162.6 | 75.6 | 0 | 0 | 0 | 110.6 | F35 T36 S43 | F35-L39 WeakPolarHBondContact O-CB 3.38Å; F35-L39 PolarHBondContact O-N 2.9Å; T36-L39 PolarHBondContact O-N 3Å; L39-S43 WeakPolarHBondContact O-CB 3.19Å; L39-S43 PolarHBondContact O-N 3.4Å |
| 40 | G | 72.3 | Confident | 67 | Low | 41 Ų | 41 | 106.4 Ų | 106.4 | 42% | 0.423 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.9 | -40 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T36 L37 K44 | T36-G40 PolarHBondContact O-N 3.28Å; L37-G40 PolarHBondContact O-N 2.91Å; G40-K44 WeakPolarHBondContact O-CB 3.2Å; G40-K44 PolarHBondContact O-N 3.39Å |
| 41 | Y | 73.8 | Confident | 66.2 | Low | 145 Ų | 145 | 105 Ų | 105 | 57% | 0.569 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66 | -47.5 | 175.4 | 178.5 | -98 | 0 | 0 | 0 | 112 | L37 T38 K44 R45 | L37-Y41 VanDerWaalsContact O-CB 3.3Å; L37-Y41 WeakPolarHBondContact O-CB 3.38Å; L37-Y41 PolarHBondContact O-N 3.08Å; T38-Y41 PolarHBondContact O-N 3.22Å; Y41-K44 PolarHBondContact O-N 3.41Å; Y41-R45 WeakPolarHBondContact O-CB 3.42Å; Y41-R45 PolarHBondContact O-N 2.91Å |
| 42 | V | 70.6 | Confident | 65.6 | Low | 73 Ų | 73 | 107.6 Ų | 107.6 | 44% | 0.442 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.1 | -44.2 | 178.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | T38 K44 R45 L46 | T38-V42 WeakPolarHBondContact O-CB 3.42Å; T38-V42 VanDerWaalsContact O-CG2 3.27Å; T38-V42 WeakPolarHBondContact O-CG2 3.23Å; T38-V42 PolarHBondContact O-N 3.37Å; V42-K44 PolarHBondContact O-N 3.03Å; V42-R45 CarbonylContact O-C 3.59Å; V42-R45 WeakPolarHBondContact O-CB 3.25Å; V42-R45 PolarHBondContact O-N 2.92Å; V42-R45 VanDerWaalsContact O-N 3.09Å; V42-L46 HydrophobicContact CG1-CD1 3.69Å; V42-L46 HydrophobicContact CG1-CG 4.29Å; V42-L46 WeakPolarHBondContact O-CB 3.43Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.42Å; V42-L46 PolarHBondContact O-N 3.37Å |
| 43 | S | 62.2 | Low | 65.1 | Low | 53 Ų | 53 | 114.6 Ų | 114.6 | 37% | 0.371 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.6 | -43.2 | 175.6 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | L39 R45 L46 L47 | L39-S43 WeakPolarHBondContact O-CB 3.19Å; L39-S43 PolarHBondContact O-N 3.4Å; S43-R45 VanDerWaalsContact C-N 3.28Å; S43-R45 PolarHBondContact O-N 2.89Å; S43-L46 PolarHBondContact O-N 2.72Å; S43-L47 WeakPolarHBondContact O-CB 3.11Å; S43-L47 WeakPolarHBondContact O-CG 3.48Å; S43-L47 PolarHBondContact O-N 2.63Å; S43-L47 WeakPolarHBondContact OG-CD1 3.5Å |
| 44 | K | 61.8 | Low | 65.1 | Low | 142 Ų | 142 | 119.3 Ų | 119.3 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.3 | -31.8 | 173.1 | -174.1 | 175.3 | -179 | 178.6 | 0 | 112.9 | G40 Y41 V42 K48 | G40-K44 WeakPolarHBondContact O-CB 3.2Å; G40-K44 PolarHBondContact O-N 3.39Å; Y41-K44 PolarHBondContact O-N 3.41Å; V42-K44 PolarHBondContact O-N 3.03Å; K44-K48 PolarHBondContact O-N 3.5Å |
| 45 | R | 61.2 | Low | 65.2 | Low | 181 Ų | 181 | 114.6 Ų | 114.6 | 68% | 0.683 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.2 | -32 | 176.3 | -138.8 | -175.4 | -178.4 | -174.2 | 1 | 112.4 | Y41 V42 S43 | Y41-R45 WeakPolarHBondContact O-CB 3.42Å; Y41-R45 PolarHBondContact O-N 2.91Å; V42-R45 CarbonylContact O-C 3.59Å; V42-R45 WeakPolarHBondContact O-CB 3.25Å; V42-R45 PolarHBondContact O-N 2.92Å; V42-R45 VanDerWaalsContact O-N 3.09Å; S43-R45 VanDerWaalsContact C-N 3.28Å; S43-R45 PolarHBondContact O-N 2.89Å |
| 46 | L | 51.8 | Low | 65.8 | Low | 141 Ų | 141 | 114.4 Ų | 114.4 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -84.3 | -33.3 | 178.3 | -69.1 | 169.9 | 0 | 0 | 0 | 112.9 | V42 S43 K48 | V42-L46 HydrophobicContact CG1-CD1 3.69Å; V42-L46 HydrophobicContact CG1-CG 4.29Å; V42-L46 WeakPolarHBondContact O-CB 3.43Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.42Å; V42-L46 PolarHBondContact O-N 3.37Å; S43-L46 PolarHBondContact O-N 2.72Å; L46-K48 VanDerWaalsContact C-N 3.25Å |
| 47 | L | 50.3 | Low | 66.8 | Low | 131 Ų | 131 | 113.8 Ų | 113.8 | 69% | 0.686 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -85.1 | 6.7 | 173.9 | -71.7 | 166.2 | 0 | 0 | 0 | 112.8 | S43 E49 | S43-L47 WeakPolarHBondContact O-CB 3.11Å; S43-L47 WeakPolarHBondContact O-CG 3.48Å; S43-L47 PolarHBondContact O-N 2.63Å; S43-L47 WeakPolarHBondContact OG-CD1 3.5Å; L47-E49 PolarHBondContact O-N 2.94Å |
| 48 | K | 50.7 | Low | 67.7 | Low | 122 Ų | 122 | 108.4 Ų | 108.4 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | trans | -66 | 93.2 | 168.9 | -157.5 | -179.7 | -167.4 | -153.1 | 0 | 105.9 | K44 L46 S50 E51 | K44-K48 PolarHBondContact O-N 3.5Å; L46-K48 VanDerWaalsContact C-N 3.25Å; K48-S50 PolarHBondContact O-N 3.01Å; K48-E51 WeakPolarHBondContact CE-OE1 3.46Å; K48-E51 WeakPolarHBondContact CE-OE2 3.4Å; K48-E51 IonicContact NZ-OE1 2.76Å; K48-E51 PolarHBondContact NZ-OE1 2.62Å; K48-E51 IonicContact NZ-OE2 3.61Å; K48-E51 PolarHBondContact NZ-OE2 2.99Å | ||
| 49 | E | 49.1 | Very low | 68.7 | Low | 173 Ų | 173 | 106.6 Ų | 106.6 | 81% | 0.808 | 53% | 0.533 | S | S | * | . | trans | -40.9 | 136.4 | 168.6 | -102.2 | 177.3 | 162.1 | 0 | 0 | 108.1 | L47 E51 | L47-E49 PolarHBondContact O-N 2.94Å; E49-E51 VanDerWaalsContact C-N 3.31Å; E49-E51 PolarHBondContact O-N 3.19Å | ||
| 50 | S | 46.8 | Very low | 69.8 | Low | 119 Ų | 119 | 106.9 Ų | 106.9 | 83% | 0.832 | 53% | 0.528 | S | S | * | . | trans | -37.3 | 93 | 173.4 | 162.8 | 0 | 0 | 0 | 0 | 110.5 | K48 D52 | K48-S50 PolarHBondContact O-N 3.01Å; S50-D52 PolarHBondContact O-N 3.31Å; S50-D52 VanDerWaalsContact O-N 3.09Å | ||
| 51 | E | 55.8 | Low | 71 | Confident | 92 Ų | 92 | 105.6 Ų | 105.6 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | trans | -57.3 | 119.6 | 168.9 | -82.2 | 177.4 | 163.5 | 0 | 0 | 105.6 | K48 E49 K53 Y57 | K48-E51 WeakPolarHBondContact CE-OE1 3.46Å; K48-E51 WeakPolarHBondContact CE-OE2 3.4Å; K48-E51 IonicContact NZ-OE1 2.76Å; K48-E51 PolarHBondContact NZ-OE1 2.62Å; K48-E51 IonicContact NZ-OE2 3.61Å; K48-E51 PolarHBondContact NZ-OE2 2.99Å; E49-E51 VanDerWaalsContact C-N 3.31Å; E49-E51 PolarHBondContact O-N 3.19Å; E51-K53 PolarHBondContact O-N 3.43Å; E51-Y57 WeakPolarHBondContact CA-OH 3.46Å; E51-Y57 HydrophobicContact CB-CE2 4.14Å; E51-Y57 WeakPolarHBondContact CB-OH 3.34Å; E51-Y57 HydrophobicContact CG-CE2 4.19Å | ||
| 52 | D | 59.6 | Low | 72 | Confident | 96 Ų | 96 | 103 Ų | 103 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | trans | -55.7 | 113.7 | 175.1 | -175.3 | -3.4 | 0 | 0 | 0 | 107.3 | S50 D54 A55 Y57 | S50-D52 PolarHBondContact O-N 3.31Å; S50-D52 VanDerWaalsContact O-N 3.09Å; D52-D54 PolarHBondContact O-N 3.46Å; D52-D54 VanDerWaalsContact O-N 3.07Å; D52-D54 PolarHBondContact OD1-N 3.39Å; D52-A55 HydrophobicContact CB-CB 3.97Å; D52-A55 WeakPolarHBondContact O-CB 3.29Å; D52-A55 PolarHBondContact O-N 2.9Å; D52-Y57 PolarHBondContact N-OH 3.05Å | ||
| 53 | K | 61.1 | Low | 73.2 | Confident | 201 Ų | 201 | 101.6 Ų | 101.6 | 87% | 0.874 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.4 | -172.7 | -74.9 | -176.4 | 177.7 | 177.5 | 0 | 112.1 | E51 | E51-K53 PolarHBondContact O-N 3.43Š|
| 54 | D | 73.5 | Confident | 74.6 | Confident | 153 Ų | 153 | 104.8 Ų | 104.8 | 82% | 0.818 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -8.4 | -179.9 | -61.7 | -31.6 | 0 | 0 | 0 | 112.9 | D52 | D52-D54 PolarHBondContact O-N 3.46Å; D52-D54 VanDerWaalsContact O-N 3.07Å; D52-D54 PolarHBondContact OD1-N 3.39Å |
| 55 | A | 81.4 | Confident | 76 | Confident | 20 Ų | 20 | 101.9 Ų | 101.9 | 17% | 0.165 | 52% | 0.518 | C | S | . | . | trans | -79.3 | 126.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D52 Y57 | D52-A55 HydrophobicContact CB-CB 3.97Å; D52-A55 WeakPolarHBondContact O-CB 3.29Å; D52-A55 PolarHBondContact O-N 2.9Å; A55-Y57 HydrophobicContact CB-CE1 4.36Å; A55-Y57 HydrophobicContact CB-CE2 4.33Å; A55-Y57 PolarHBondContact O-N 3.24Å | ||
| 56 | K | 94.3 | Very high | 77.2 | Confident | 131 Ų | 131 | 98.8 Ų | 98.8 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | trans | -83.7 | 102.8 | 175 | -167.7 | -178.2 | 178.1 | -177.5 | 0 | 109.9 | Y390 T391 | K56-Y390 HydrophobicContact CD-CD1 4.13Å; K56-Y390 HydrophobicContact CD-CE1 4.01Å; K56-Y390 HydrophobicContact CG-CD1 3.83Å; K56-Y390 HydrophobicContact CG-CE1 3.96Å; K56-Y390 CarbonylContact O-C 3.58Å; K56-Y390 WeakPolarHBondContact O-CA 3.31Å; K56-T391 PolarHBondContact O-N 2.84Å | ||
| 57 | Y | 95.9 | Very high | 79 | Confident | 76 Ų | 76 | 98.7 Ų | 98.7 | 30% | 0.298 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 152.5 | 177.3 | -61.9 | -69.9 | 0 | 0 | 0 | 112.6 | E51 D52 A55 Y390 T391 P393 | E51-Y57 WeakPolarHBondContact CA-OH 3.46Å; E51-Y57 HydrophobicContact CB-CE2 4.14Å; E51-Y57 WeakPolarHBondContact CB-OH 3.34Å; E51-Y57 HydrophobicContact CG-CE2 4.19Å; D52-Y57 PolarHBondContact N-OH 3.05Å; A55-Y57 HydrophobicContact CB-CE1 4.36Å; A55-Y57 HydrophobicContact CB-CE2 4.33Å; A55-Y57 PolarHBondContact O-N 3.24Å; Y57-Y390 VanDerWaalsContact C-CD1 3.47Å; Y57-Y390 WeakPolarHBondContact O-CD1 3.29Å; Y57-Y390 WeakPolarHBondContact O-CE1 3.48Å; Y57-T391 WeakPolarHBondContact CD1-O 3.38Å; Y57-P393 HydrophobicContact CD1-CG 4.43Å; Y57-P393 HydrophobicContact CE1-CB 4.36Å; Y57-P393 HydrophobicContact CE1-CG 4.36Å |
| 58 | P | 97.5 | Very high | 80.8 | Confident | 10 Ų | 10 | 95 Ų | 95 | 7% | 0.065 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -54 | 145.2 | 172.4 | -26.4 | 34.2 | 0 | 0 | 0 | 112.1 | Y60 V92 T103 Y390 T391 I392 | P58-Y60 PolarHBondContact O-N 2.97Å; P58-V92 HydrophobicContact CB-CG1 4.07Å; P58-V92 HydrophobicContact CG-CG1 4.01Å; P58-T103 HydrophobicContact CB-CG2 4.43Å; P58-T103 HydrophobicContact CG-CG2 4.06Å; P58-Y390 HydrophobicContact CG-CG 4.41Å; P58-T391 WeakPolarHBondContact CD-O 3.34Å; P58-I392 HydrophobicContact CG-CG1 4.2Å |
| 59 | P | 97.8 | Very high | 82.9 | Confident | 33 Ų | 33 | 89.6 Ų | 89.6 | 21% | 0.214 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 128.3 | 172.4 | 23.1 | -33.4 | 0 | 0 | 0 | 110.5 | Y89 V92 F93 S94 | P59-Y89 HydrophobicContact CB-CD1 3.82Å; P59-Y89 HydrophobicContact CB-CG 4.48Å; P59-Y89 HydrophobicContact CG-CD1 4.4Å; P59-V92 VanDerWaalsContact CD-O 3.27Å; P59-V92 WeakPolarHBondContact CD-O 3.32Å; P59-V92 WeakPolarHBondContact CG-O 3.2Å; P59-F93 HydrophobicContact CG-CB 4.11Å; P59-F93 WeakPolarHBondContact O-CA 3.44Å; P59-S94 PolarHBondContact O-N 3.31Å |
| 60 | Y | 97.9 | Very high | 85 | Confident | 111 Ų | 111 | 82.8 Ų | 82.8 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -99.9 | 125.3 | -178 | -174.3 | -85.2 | 0 | 0 | 0 | 110.9 | P58 P62 S94 T96 T101 | P58-Y60 PolarHBondContact O-N 2.97Å; Y60-P62 VanDerWaalsContact O-CD 3.28Å; Y60-P62 WeakPolarHBondContact O-CD 3.47Å; Y60-S94 CarbonylContact C-O 3.46Å; Y60-S94 VanDerWaalsContact CA-O 3.31Å; Y60-S94 WeakPolarHBondContact CA-O 3.5Å; Y60-T96 WeakPolarHBondContact OH-CB 3.45Å; Y60-T96 PolarHBondContact OH-OG1 2.85Å; Y60-T101 HydrophobicContact CE2-CG2 4.16Å |
| 61 | I | 97.8 | Very high | 87.1 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 7% | 0.072 | 41% | 0.412 | C | S | . | . | trans | -77.8 | 111.1 | 179.9 | -49.3 | -179.6 | 0 | 0 | 0 | 109.1 | H70 F81 A85 Y89 F93 S94 F95 | I61-H70 PolarHBondContact O-NE2 2.93Å; I61-H70 VanDerWaalsContact O-NE2 3.16Å; I61-F81 HydrophobicContact CD1-CE1 4.3Å; I61-F81 HydrophobicContact CD1-CZ 4.17Å; I61-A85 HydrophobicContact CD1-CB 3.7Å; I61-Y89 HydrophobicContact CB-CE2 4.44Å; I61-Y89 HydrophobicContact CD1-CD2 4.12Å; I61-Y89 HydrophobicContact CD1-CE2 4.12Å; I61-Y89 HydrophobicContact CG1-CD2 3.93Å; I61-Y89 HydrophobicContact CG1-CE2 3.75Å; I61-Y89 HydrophobicContact CG2-CE2 4.18Å; I61-F93 HydrophobicContact CD1-CD2 3.73Å; I61-F93 HydrophobicContact CD1-CE2 4.12Å; I61-F93 HydrophobicContact CD1-CG 4.44Å; I61-F93 HydrophobicContact CG1-CD2 4.42Å; I61-S94 PolarHBondContact N-O 2.9Å; I61-F95 HydrophobicContact CB-CB 3.96Å; I61-F95 HydrophobicContact CD1-CB 4.23Å; I61-F95 HydrophobicContact CD1-CD1 4.28Å; I61-F95 HydrophobicContact CG1-CB 4.24Å | ||
| 62 | P | 95.6 | Very high | 88.8 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 59% | 0.591 | 42% | 0.419 | S | S | * | . | trans | -65.4 | 144 | -177.4 | 28.5 | -34.6 | 0 | 0 | 0 | 111 | Y60 H70 | Y60-P62 VanDerWaalsContact O-CD 3.28Å; Y60-P62 WeakPolarHBondContact O-CD 3.47Å; P62-H70 PolarHBondContact O-CE1 3.25Å; P62-H70 PolarHBondContact O-NE2 2.89Å; P62-H70 VanDerWaalsContact O-NE2 3.08Å | ||
| 63 | S | 94.3 | Very high | 90.4 | Very high | 44 Ų | 44 | 77 Ų | 77 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | trans | -126.4 | 140.2 | 170 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | I65 G69 | S63-I65 VanDerWaalsContact C-N 3.29Å; S63-I65 PolarHBondContact OG-N 3.35Å; S63-I65 VanDerWaalsContact OG-N 3.15Å; S63-G69 VanDerWaalsContact OG-C 3.32Å; S63-G69 WeakPolarHBondContact OG-CA 3.17Å; S63-G69 PolarHBondContact OG-O 3.25Å | ||
| 64 | S | 92 | Very high | 91.9 | Very high | 119 Ų | 119 | 68.5 Ų | 68.5 | 83% | 0.832 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -79.2 | -10.3 | 173.9 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | P66 | S64-P66 WeakPolarHBondContact O-CD 3.2Š|
| 65 | I | 91.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 63 Ų | 63 | 42% | 0.415 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -106.5 | 104 | -178 | -50.8 | 178.3 | 0 | 0 | 0 | 109.1 | S63 L68 G69 | S63-I65 VanDerWaalsContact C-N 3.29Å; S63-I65 PolarHBondContact OG-N 3.35Å; S63-I65 VanDerWaalsContact OG-N 3.15Å; I65-L68 HydrophobicContact CG2-CB 3.79Å; I65-L68 HydrophobicContact CG2-CD2 4.25Å; I65-G69 WeakPolarHBondContact O-CA 3.25Å; I65-G69 PolarHBondContact O-N 2.84Å |
| 66 | P | 86.9 | Confident | 93 | Very high | 116 Ų | 116 | 70.1 Ų | 70.1 | 75% | 0.753 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 150.6 | 176.8 | -22.7 | 33.6 | 0 | 0 | 0 | 111.6 | S64 L68 | S64-P66 WeakPolarHBondContact O-CD 3.2Å; P66-L68 PolarHBondContact O-N 3.26Å |
| 67 | F | 88.6 | Confident | 92.9 | Very high | 140 Ų | 140 | 65.3 Ų | 65.3 | 61% | 0.614 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -60.3 | -178.2 | 178.6 | -95.7 | 0 | 0 | 0 | 114.9 | G69 V98 G99 | F67-G69 VanDerWaalsContact C-N 3.25Å; F67-G69 PolarHBondContact O-N 3.08Å; F67-V98 HydrophobicContact CE1-CG1 3.63Å; F67-V98 HydrophobicContact CZ-CG1 3.64Å; F67-V98 CarbonylContact O-C 3.55Å; F67-V98 WeakPolarHBondContact O-CA 3.36Å; F67-V98 PolarHBondContact O-N 3.32Å; F67-V98 VanDerWaalsContact O-N 3.15Å; F67-G99 PolarHBondContact O-N 2.99Å |
| 68 | L | 88.4 | Confident | 92.8 | Very high | 54 Ų | 54 | 61.8 Ų | 61.8 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -36.9 | -179.7 | -170.3 | 63.4 | 0 | 0 | 0 | 111.5 | I65 P66 H70 A71 I72 M97 V98 | I65-L68 HydrophobicContact CG2-CB 3.79Å; I65-L68 HydrophobicContact CG2-CD2 4.25Å; P66-L68 PolarHBondContact O-N 3.26Å; L68-H70 PolarHBondContact O-N 3.43Å; L68-A71 HydrophobicContact CD1-CB 3.65Å; L68-A71 HydrophobicContact CG-CB 4.05Å; L68-A71 WeakPolarHBondContact O-CB 3.37Å; L68-A71 PolarHBondContact O-N 2.94Å; L68-I72 HydrophobicContact CD2-CD1 3.73Å; L68-I72 HydrophobicContact CD2-CG1 3.95Å; L68-M97 WeakPolarHBondContact O-CA 3.47Å; L68-V98 HydrophobicContact CD1-CG2 4.38Å; L68-V98 PolarHBondContact O-N 3.45Å |
| 69 | G | 94.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | 61.6 | -120 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S63 I65 F67 T96 | S63-G69 VanDerWaalsContact OG-C 3.32Å; S63-G69 WeakPolarHBondContact OG-CA 3.17Å; S63-G69 PolarHBondContact OG-O 3.25Å; I65-G69 WeakPolarHBondContact O-CA 3.25Å; I65-G69 PolarHBondContact O-N 2.84Å; F67-G69 VanDerWaalsContact C-N 3.25Å; F67-G69 PolarHBondContact O-N 3.08Å; G69-T96 CarbonylContact C-O 3.26Å; G69-T96 WeakPolarHBondContact CA-O 3.42Å |
| 70 | H | 95 | Very high | 92.7 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 14% | 0.139 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 14.6 | -179.3 | -65.6 | -79.4 | 0 | 0 | 0 | 113.7 | I61 P62 L68 I72 A73 F74 F81 F95 T96 | I61-H70 PolarHBondContact O-NE2 2.93Å; I61-H70 VanDerWaalsContact O-NE2 3.16Å; P62-H70 PolarHBondContact O-CE1 3.25Å; P62-H70 PolarHBondContact O-NE2 2.89Å; P62-H70 VanDerWaalsContact O-NE2 3.08Å; L68-H70 PolarHBondContact O-N 3.43Å; H70-I72 VanDerWaalsContact C-N 3.28Å; H70-I72 PolarHBondContact O-N 3.39Å; H70-I72 VanDerWaalsContact O-N 3.16Å; H70-A73 PolarHBondContact O-N 3.45Å; H70-F74 VanDerWaalsContact O-CB 3.32Å; H70-F74 WeakPolarHBondContact O-CB 3.24Å; H70-F74 PolarHBondContact O-N 3.44Å; H70-F81 HydrophobicContact CB-CE2 3.79Å; H70-F81 HydrophobicContact CB-CZ 3.77Å; H70-F81 AromaticContact CG-CE2 3.83Å; H70-F81 AromaticContact CG-CZ 3.79Å; H70-F81 AromaticContact ND1-CE2 3.74Å; H70-F95 HydrophobicContact CB-CD2 4.08Å; H70-T96 PolarHBondContact N-O 3.48Å |
| 71 | A | 90.5 | Very high | 92.7 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.9 | -37.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L68 G75 M97 V98 | L68-A71 HydrophobicContact CD1-CB 3.65Å; L68-A71 HydrophobicContact CG-CB 4.05Å; L68-A71 WeakPolarHBondContact O-CB 3.37Å; L68-A71 PolarHBondContact O-N 2.94Å; A71-G75 PolarHBondContact O-N 3.09Å; A71-M97 HydrophobicContact CB-CB 4.21Å; A71-M97 HydrophobicContact CB-CG 4.4Å; A71-V98 HydrophobicContact CB-CG2 3.82Å |
| 72 | I | 90.6 | Very high | 92.7 | Very high | 114 Ų | 114 | 60.8 Ų | 60.8 | 59% | 0.585 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.5 | -49.5 | 177.9 | -61.1 | 173.8 | 0 | 0 | 0 | 111 | L68 H70 F74 G75 K76 | L68-I72 HydrophobicContact CD2-CD1 3.73Å; L68-I72 HydrophobicContact CD2-CG1 3.95Å; H70-I72 VanDerWaalsContact C-N 3.28Å; H70-I72 PolarHBondContact O-N 3.39Å; H70-I72 VanDerWaalsContact O-N 3.16Å; I72-F74 VanDerWaalsContact C-N 3.35Å; I72-F74 PolarHBondContact O-N 3.33Å; I72-G75 PolarHBondContact O-N 3.34Å; I72-K76 WeakPolarHBondContact O-CB 3.07Å; I72-K76 PolarHBondContact O-N 2.99Å |
| 73 | A | 93.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | H70 K76 S77 F81 | H70-A73 PolarHBondContact O-N 3.45Å; A73-K76 PolarHBondContact O-N 3.4Å; A73-S77 PolarHBondContact O-N 3.46Å; A73-F81 HydrophobicContact CB-CD2 4.1Å; A73-F81 HydrophobicContact CB-CE2 4.36Å |
| 74 | F | 93.1 | Very high | 92.9 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.6 | -173.7 | -90.3 | 0 | 0 | 0 | 112 | H70 I72 K76 P78 F81 L82 F95 M97 Y104 M375 | H70-F74 VanDerWaalsContact O-CB 3.32Å; H70-F74 WeakPolarHBondContact O-CB 3.24Å; H70-F74 PolarHBondContact O-N 3.44Å; I72-F74 VanDerWaalsContact C-N 3.35Å; I72-F74 PolarHBondContact O-N 3.33Å; F74-K76 VanDerWaalsContact C-N 3.31Å; F74-K76 PolarHBondContact O-N 2.86Å; F74-P78 HydrophobicContact CD1-CB 4.28Å; F74-P78 HydrophobicContact CD2-CB 4.31Å; F74-P78 HydrophobicContact CE1-CB 3.97Å; F74-P78 HydrophobicContact CE2-CB 4Å; F74-P78 HydrophobicContact CG-CB 4.43Å; F74-P78 HydrophobicContact CZ-CB 3.8Å; F74-P78 WeakPolarHBondContact O-CA 3.36Å; F74-P78 WeakPolarHBondContact O-CB 3.38Å; F74-P78 WeakPolarHBondContact O-CD 3.38Å; F74-F81 AromaticContact CD2-CD1 3.76Å; F74-F81 HydrophobicContact CD2-CD1 3.76Å; F74-F81 HydrophobicContact CD2-CE1 4.27Å; F74-F81 HydrophobicContact CD2-CG 4.29Å; F74-L82 HydrophobicContact CE2-CD1 4.08Å; F74-L82 HydrophobicContact CE2-CD2 4.12Å; F74-L82 HydrophobicContact CE2-CG 3.99Å; F74-F95 HydrophobicContact CD2-CE2 4.06Å; F74-F95 AromaticContact CD2-CZ 3.79Å; F74-F95 HydrophobicContact CD2-CZ 3.79Å; F74-F95 HydrophobicContact CE2-CZ 4.03Å; F74-F95 HydrophobicContact CG-CE2 4.42Å; F74-M97 HydrophobicContact CB-SD 3.61Å; F74-M97 HydrophobicContact CD1-CE 4Å; F74-M97 HydrophobicContact CD1-SD 3.47Å; F74-M97 WeakPolarHBondContact CD1-SD 3.15Å; F74-M97 HydrophobicContact CD2-SD 4.26Å; F74-M97 HydrophobicContact CE1-CE 4.19Å; F74-M97 HydrophobicContact CE1-SD 4.24Å; F74-M97 HydrophobicContact CG-CE 4.23Å; F74-M97 HydrophobicContact CG-SD 3.49Å; F74-M97 WeakPolarHBondContact CG-SD 3.37Å; F74-Y104 HydrophobicContact CE2-CE2 4.39Å; F74-Y104 WeakPolarHBondContact CZ-OH 3.4Å; F74-M375 HydrophobicContact CE1-CE 4.33Å; F74-M375 HydrophobicContact CZ-CE 4.4Å |
| 75 | G | 88.3 | Confident | 93.2 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A71 I72 | A71-G75 PolarHBondContact O-N 3.09Å; I72-G75 PolarHBondContact O-N 3.34Å |
| 76 | K | 89.9 | Confident | 93.5 | Very high | 170 Ų | 170 | 53 Ų | 53 | 74% | 0.739 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -75.8 | -43.7 | -180 | -173.3 | 178.5 | 179.4 | -176.3 | 0 | 113 | I72 A73 F74 Y478 | I72-K76 WeakPolarHBondContact O-CB 3.07Å; I72-K76 PolarHBondContact O-N 2.99Å; A73-K76 PolarHBondContact O-N 3.4Å; F74-K76 VanDerWaalsContact C-N 3.31Å; F74-K76 PolarHBondContact O-N 2.86Å; K76-Y478 WeakPolarHBondContact O-CD2 3.49Å |
| 77 | S | 91.8 | Very high | 94 | Very high | 29 Ų | 29 | 53 Ų | 53 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | trans | -148.7 | 74 | -177.4 | -164.7 | 0 | 0 | 0 | 0 | 109.7 | A73 I79 E80 F81 | A73-S77 PolarHBondContact O-N 3.46Å; S77-I79 VanDerWaalsContact C-N 3.28Å; S77-I79 PolarHBondContact O-N 2.95Å; S77-E80 WeakPolarHBondContact CB-OE2 3.15Å; S77-E80 PolarHBondContact O-N 3.35Å; S77-E80 WeakPolarHBondContact OG-CB 3.36Å; S77-E80 PolarHBondContact OG-OE2 2.98Å; S77-F81 WeakPolarHBondContact O-CB 3.3Å; S77-F81 PolarHBondContact O-N 3.07Å | ||
| 78 | P | 94.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -36 | -170.1 | 19.4 | -28.7 | 0 | 0 | 0 | 112.2 | F74 L82 M375 Y478 | F74-P78 HydrophobicContact CD1-CB 4.28Å; F74-P78 HydrophobicContact CD2-CB 4.31Å; F74-P78 HydrophobicContact CE1-CB 3.97Å; F74-P78 HydrophobicContact CE2-CB 4Å; F74-P78 HydrophobicContact CG-CB 4.43Å; F74-P78 HydrophobicContact CZ-CB 3.8Å; F74-P78 WeakPolarHBondContact O-CA 3.36Å; F74-P78 WeakPolarHBondContact O-CB 3.38Å; F74-P78 WeakPolarHBondContact O-CD 3.38Å; P78-L82 WeakPolarHBondContact O-CB 3.45Å; P78-L82 WeakPolarHBondContact O-CG 3.28Å; P78-L82 PolarHBondContact O-N 3.47Å; P78-L82 VanDerWaalsContact O-N 3.07Å; P78-M375 HydrophobicContact CB-CE 3.52Å; P78-M375 HydrophobicContact CB-SD 4.19Å; P78-M375 HydrophobicContact CG-CE 3.44Å; P78-M375 VanDerWaalsContact CG-CE 3.44Å; P78-M375 HydrophobicContact CG-SD 4.35Å; P78-Y478 HydrophobicContact CG-CD1 3.64Å; P78-Y478 HydrophobicContact CG-CE1 3.94Å; P78-Y478 HydrophobicContact CG-CG 4.12Å |
| 79 | I | 95.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.7 | -49.9 | -178.7 | -53.6 | -53.1 | 0 | 0 | 0 | 110.7 | S77 F81 L82 E83 T403 V404 Y478 | S77-I79 VanDerWaalsContact C-N 3.28Å; S77-I79 PolarHBondContact O-N 2.95Å; I79-F81 VanDerWaalsContact C-N 3.28Å; I79-F81 PolarHBondContact O-N 2.88Å; I79-L82 PolarHBondContact O-N 3.38Å; I79-L82 VanDerWaalsContact O-N 3.14Å; I79-E83 HydrophobicContact CG2-CG 4.37Å; I79-E83 WeakPolarHBondContact O-CG 3.43Å; I79-E83 PolarHBondContact O-N 3.19Å; I79-T403 HydrophobicContact CD1-CG2 3.88Å; I79-T403 HydrophobicContact CG1-CG2 4.48Å; I79-V404 HydrophobicContact CD1-CG2 4.5Å; I79-Y478 HydrophobicContact CG1-CE1 4.24Å |
| 80 | E | 96.4 | Very high | 95 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 179.1 | -172.7 | -174 | 172.8 | 0 | 0 | 110.9 | S77 L82 E83 N84 | S77-E80 WeakPolarHBondContact CB-OE2 3.15Å; S77-E80 PolarHBondContact O-N 3.35Å; S77-E80 WeakPolarHBondContact OG-CB 3.36Å; S77-E80 PolarHBondContact OG-OE2 2.98Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.33Å; E80-E83 PolarHBondContact O-N 3.15Å; E80-N84 VanDerWaalsContact O-CB 3.3Å; E80-N84 WeakPolarHBondContact O-CB 3.4Å; E80-N84 PolarHBondContact O-N 3.35Å; E80-N84 PolarHBondContact O-ND2 3.15Å |
| 81 | F | 97.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 55.3 Ų | 55.3 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 173.2 | -178.8 | -85.7 | 0 | 0 | 0 | 111.7 | I61 H70 A73 F74 S77 I79 A85 F95 | I61-F81 HydrophobicContact CD1-CE1 4.3Å; I61-F81 HydrophobicContact CD1-CZ 4.17Å; H70-F81 HydrophobicContact CB-CE2 3.79Å; H70-F81 HydrophobicContact CB-CZ 3.77Å; H70-F81 AromaticContact CG-CE2 3.83Å; H70-F81 AromaticContact CG-CZ 3.79Å; H70-F81 AromaticContact ND1-CE2 3.74Å; A73-F81 HydrophobicContact CB-CD2 4.1Å; A73-F81 HydrophobicContact CB-CE2 4.36Å; F74-F81 AromaticContact CD2-CD1 3.76Å; F74-F81 HydrophobicContact CD2-CD1 3.76Å; F74-F81 HydrophobicContact CD2-CE1 4.27Å; F74-F81 HydrophobicContact CD2-CG 4.29Å; S77-F81 WeakPolarHBondContact O-CB 3.3Å; S77-F81 PolarHBondContact O-N 3.07Å; I79-F81 VanDerWaalsContact C-N 3.28Å; I79-F81 PolarHBondContact O-N 2.88Å; F81-A85 VanDerWaalsContact O-CB 3.25Å; F81-A85 WeakPolarHBondContact O-CB 3.17Å; F81-A85 PolarHBondContact O-N 3.08Å; F81-F95 HydrophobicContact CD1-CZ 4.38Å; F81-F95 HydrophobicContact CE1-CD1 4.03Å; F81-F95 HydrophobicContact CE1-CD2 4.08Å; F81-F95 AromaticContact CE1-CE1 3.81Å; F81-F95 HydrophobicContact CE1-CE1 3.81Å; F81-F95 AromaticContact CE1-CE2 3.83Å; F81-F95 HydrophobicContact CE1-CE2 3.83Å; F81-F95 HydrophobicContact CE1-CG 4.16Å; F81-F95 AromaticContact CE1-CZ 3.71Å; F81-F95 HydrophobicContact CE1-CZ 3.71Å; F81-F95 HydrophobicContact CZ-CD2 4.11Å; F81-F95 HydrophobicContact CZ-CE2 4.23Å; F81-F95 HydrophobicContact CZ-CG 4.25Å |
| 82 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.2 | -38.5 | -179.1 | -69.6 | 173.9 | 0 | 0 | 0 | 112.9 | F74 P78 I79 E80 A85 Y86 F93 F95 Y104 L106 V404 | F74-L82 HydrophobicContact CE2-CD1 4.08Å; F74-L82 HydrophobicContact CE2-CD2 4.12Å; F74-L82 HydrophobicContact CE2-CG 3.99Å; P78-L82 WeakPolarHBondContact O-CB 3.45Å; P78-L82 WeakPolarHBondContact O-CG 3.28Å; P78-L82 PolarHBondContact O-N 3.47Å; P78-L82 VanDerWaalsContact O-N 3.07Å; I79-L82 PolarHBondContact O-N 3.38Å; I79-L82 VanDerWaalsContact O-N 3.14Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.33Å; L82-A85 PolarHBondContact O-N 2.89Å; L82-Y86 WeakPolarHBondContact O-CB 3.34Å; L82-Y86 PolarHBondContact O-N 3.4Å; L82-F93 HydrophobicContact CD2-CE2 4Å; L82-F93 HydrophobicContact CD2-CZ 3.84Å; L82-F95 HydrophobicContact CD2-CE1 4.36Å; L82-Y104 HydrophobicContact CD1-CD1 3.98Å; L82-Y104 HydrophobicContact CD1-CE1 3.53Å; L82-Y104 HydrophobicContact CD2-CD1 3.57Å; L82-Y104 HydrophobicContact CD2-CD2 3.93Å; L82-Y104 HydrophobicContact CD2-CE1 3.71Å; L82-Y104 HydrophobicContact CD2-CE2 4.05Å; L82-Y104 HydrophobicContact CD2-CG 3.67Å; L82-Y104 HydrophobicContact CG-CD1 4.44Å; L82-Y104 HydrophobicContact CG-CE1 4.28Å; L82-L106 HydrophobicContact CB-CD1 4.32Å; L82-V404 HydrophobicContact CB-CG2 3.82Å; L82-V404 HydrophobicContact CD1-CG2 3.93Å |
| 83 | E | 97.3 | Very high | 95.9 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 175.1 | -72.6 | -172.4 | 174.4 | 0 | 0 | 110.9 | I79 E80 A85 Y86 E87 V404 R407 R415 | I79-E83 HydrophobicContact CG2-CG 4.37Å; I79-E83 WeakPolarHBondContact O-CG 3.43Å; I79-E83 PolarHBondContact O-N 3.19Å; E80-E83 PolarHBondContact O-N 3.15Å; E83-A85 VanDerWaalsContact C-N 3.32Å; E83-A85 PolarHBondContact O-N 3.48Å; E83-Y86 WeakPolarHBondContact O-CB 3.47Å; E83-Y86 PolarHBondContact O-N 2.87Å; E83-E87 WeakPolarHBondContact O-CG 3.09Å; E83-E87 PolarHBondContact O-N 2.98Å; E83-V404 HydrophobicContact CG-CG1 4.48Å; E83-R407 WeakPolarHBondContact OE1-CD 3.29Å; E83-R407 IonicContact OE1-NE 3.52Å; E83-R415 IonicContact OE1-CZ 3.01Å; E83-R415 IonicContact OE1-NH1 3.73Å; E83-R415 PolarHBondContact OE1-NH1 2.8Å; E83-R415 IonicContact OE1-NH2 3Å; E83-R415 IonicContact OE2-CZ 2.73Å; E83-R415 IonicContact OE2-NH1 2.73Å; E83-R415 PolarHBondContact OE2-NH1 2.84Å; E83-R415 IonicContact OE2-NH2 3.6Å; E83-R415 PolarHBondContact OE2-NH2 2.85Å |
| 84 | N | 97.8 | Very high | 96.1 | Very high | 87 Ų | 87 | 46.6 Ų | 46.6 | 47% | 0.465 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.1 | -69.8 | -21.3 | 0 | 0 | 0 | 112 | E80 K88 | E80-N84 VanDerWaalsContact O-CB 3.3Å; E80-N84 WeakPolarHBondContact O-CB 3.4Å; E80-N84 PolarHBondContact O-N 3.35Å; E80-N84 PolarHBondContact O-ND2 3.15Å; N84-K88 WeakPolarHBondContact O-CB 3.42Å; N84-K88 PolarHBondContact O-N 3.32Å |
| 85 | A | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I61 F81 L82 E83 K88 Y89 F93 | I61-A85 HydrophobicContact CD1-CB 3.7Å; F81-A85 VanDerWaalsContact O-CB 3.25Å; F81-A85 WeakPolarHBondContact O-CB 3.17Å; F81-A85 PolarHBondContact O-N 3.08Å; L82-A85 PolarHBondContact O-N 2.89Å; E83-A85 VanDerWaalsContact C-N 3.32Å; E83-A85 PolarHBondContact O-N 3.48Å; A85-K88 PolarHBondContact O-N 2.75Å; A85-Y89 HydrophobicContact CB-CD2 4.44Å; A85-Y89 WeakPolarHBondContact O-CA 3.48Å; A85-Y89 WeakPolarHBondContact O-CB 3.41Å; A85-Y89 WeakPolarHBondContact O-CD2 3.33Å; A85-Y89 PolarHBondContact O-N 3.44Å; A85-F93 HydrophobicContact CB-CD1 4.28Å; A85-F93 HydrophobicContact CB-CD2 4.1Å; A85-F93 HydrophobicContact CB-CE1 3.75Å; A85-F93 HydrophobicContact CB-CE2 3.55Å; A85-F93 HydrophobicContact CB-CG 4.43Å; A85-F93 HydrophobicContact CB-CZ 3.36Å |
| 86 | Y | 97.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 174.8 | 179.6 | -95.6 | 0 | 0 | 0 | 111.8 | L82 E83 K88 G90 P91 L106 L408 D410 | L82-Y86 WeakPolarHBondContact O-CB 3.34Å; L82-Y86 PolarHBondContact O-N 3.4Å; E83-Y86 WeakPolarHBondContact O-CB 3.47Å; E83-Y86 PolarHBondContact O-N 2.87Å; Y86-K88 PolarHBondContact O-N 3.36Å; Y86-G90 WeakPolarHBondContact O-CA 3.25Å; Y86-G90 PolarHBondContact O-N 2.84Å; Y86-P91 HydrophobicContact CE2-CB 4.02Å; Y86-L106 HydrophobicContact CD2-CB 3.78Å; Y86-L106 HydrophobicContact CD2-CD1 4.13Å; Y86-L106 HydrophobicContact CE2-CB 4.25Å; Y86-L106 HydrophobicContact CG-CD1 4.43Å; Y86-L408 HydrophobicContact CD1-CD2 3.88Å; Y86-L408 HydrophobicContact CD2-CD2 4.24Å; Y86-L408 HydrophobicContact CE1-CD2 3.74Å; Y86-L408 HydrophobicContact CE2-CD2 4.08Å; Y86-L408 HydrophobicContact CG-CD2 4.13Å; Y86-D410 PolarHBondContact OH-OD2 2.81Å; Y86-D410 VanDerWaalsContact OH-OD2 3.05Å |
| 87 | E | 96.4 | Very high | 96.9 | Very high | 115 Ų | 115 | 37.2 Ų | 37.2 | 54% | 0.537 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.5 | -33.2 | 179.5 | -71.4 | -179.7 | -178.9 | 0 | 0 | 112.3 | E83 R409 | E83-E87 WeakPolarHBondContact O-CG 3.09Å; E83-E87 PolarHBondContact O-N 2.98Å; E87-R409 IonicContact OE1-CZ 3.05Å; E87-R409 IonicContact OE1-NE 2.79Å; E87-R409 PolarHBondContact OE1-NE 2.8Å; E87-R409 IonicContact OE1-NH2 3.23Å |
| 88 | K | 97.7 | Very high | 96.8 | Very high | 155 Ų | 155 | 37.2 Ų | 37.2 | 67% | 0.674 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -91.6 | -37.4 | -176.9 | -174.6 | 172 | 178.8 | -174.3 | 0 | 114.8 | N84 A85 Y86 | N84-K88 WeakPolarHBondContact O-CB 3.42Å; N84-K88 PolarHBondContact O-N 3.32Å; A85-K88 PolarHBondContact O-N 2.75Å; Y86-K88 PolarHBondContact O-N 3.36Å |
| 89 | Y | 97.6 | Very high | 96.5 | Very high | 55 Ų | 55 | 38.3 Ų | 38.3 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -116.8 | -5.8 | -170.1 | -59.7 | -78 | 0 | 0 | 0 | 113.2 | P59 I61 A85 | P59-Y89 HydrophobicContact CB-CD1 3.82Å; P59-Y89 HydrophobicContact CB-CG 4.48Å; P59-Y89 HydrophobicContact CG-CD1 4.4Å; I61-Y89 HydrophobicContact CB-CE2 4.44Å; I61-Y89 HydrophobicContact CD1-CD2 4.12Å; I61-Y89 HydrophobicContact CD1-CE2 4.12Å; I61-Y89 HydrophobicContact CG1-CD2 3.93Å; I61-Y89 HydrophobicContact CG1-CE2 3.75Å; I61-Y89 HydrophobicContact CG2-CE2 4.18Å; A85-Y89 HydrophobicContact CB-CD2 4.44Å; A85-Y89 WeakPolarHBondContact O-CA 3.48Å; A85-Y89 WeakPolarHBondContact O-CB 3.41Å; A85-Y89 WeakPolarHBondContact O-CD2 3.33Å; A85-Y89 PolarHBondContact O-N 3.44Å |
| 90 | G | 97.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | trans | 82.2 | -162.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y86 V92 F93 | Y86-G90 WeakPolarHBondContact O-CA 3.25Å; Y86-G90 PolarHBondContact O-N 2.84Å; G90-V92 VanDerWaalsContact C-N 3.32Å; G90-V92 PolarHBondContact O-N 3.03Å; G90-F93 WeakPolarHBondContact O-CD1 3.28Å | ||
| 91 | P | 97.5 | Very high | 96.4 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -75.2 | -14.6 | -168.8 | 29.5 | -36.6 | 0 | 0 | 0 | 114.9 | Y86 L106 A110 | Y86-P91 HydrophobicContact CE2-CB 4.02Å; P91-L106 WeakPolarHBondContact CB-O 3.43Å; P91-L106 PolarHBondContact O-N 3.13Å; P91-A110 HydrophobicContact CB-CB 4.06Å |
| 92 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 117.2 | -178.3 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | P58 P59 G90 T103 Y104 L105 A110 A387 A388 Y390 | P58-V92 HydrophobicContact CB-CG1 4.07Å; P58-V92 HydrophobicContact CG-CG1 4.01Å; P59-V92 VanDerWaalsContact CD-O 3.27Å; P59-V92 WeakPolarHBondContact CD-O 3.32Å; P59-V92 WeakPolarHBondContact CG-O 3.2Å; G90-V92 VanDerWaalsContact C-N 3.32Å; G90-V92 PolarHBondContact O-N 3.03Å; V92-T103 HydrophobicContact CG1-CG2 4.14Å; V92-Y104 WeakPolarHBondContact CA-O 3.08Å; V92-L105 HydrophobicContact CB-CD2 4.49Å; V92-L105 HydrophobicContact CG1-CD2 3.96Å; V92-L105 HydrophobicContact CG2-CD2 3.89Å; V92-A110 HydrophobicContact CG2-CB 3.86Å; V92-A387 HydrophobicContact CG2-CB 4.23Å; V92-A388 HydrophobicContact CB-CB 4.49Å; V92-A388 HydrophobicContact CG2-CB 3.69Å; V92-Y390 HydrophobicContact CB-CD2 3.99Å; V92-Y390 HydrophobicContact CB-CE2 4.41Å; V92-Y390 HydrophobicContact CG1-CD2 4.17Å |
| 93 | F | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159.4 | 178.6 | 55.8 | -97.6 | 0 | 0 | 0 | 111.5 | P59 I61 L82 A85 G90 F95 T103 Y104 L106 | P59-F93 HydrophobicContact CG-CB 4.11Å; P59-F93 WeakPolarHBondContact O-CA 3.44Å; I61-F93 HydrophobicContact CD1-CD2 3.73Å; I61-F93 HydrophobicContact CD1-CE2 4.12Å; I61-F93 HydrophobicContact CD1-CG 4.44Å; I61-F93 HydrophobicContact CG1-CD2 4.42Å; L82-F93 HydrophobicContact CD2-CE2 4Å; L82-F93 HydrophobicContact CD2-CZ 3.84Å; A85-F93 HydrophobicContact CB-CD1 4.28Å; A85-F93 HydrophobicContact CB-CD2 4.1Å; A85-F93 HydrophobicContact CB-CE1 3.75Å; A85-F93 HydrophobicContact CB-CE2 3.55Å; A85-F93 HydrophobicContact CB-CG 4.43Å; A85-F93 HydrophobicContact CB-CZ 3.36Å; G90-F93 WeakPolarHBondContact O-CD1 3.28Å; F93-F95 HydrophobicContact CD2-CD1 4.07Å; F93-F95 HydrophobicContact CD2-CE1 4.41Å; F93-F95 HydrophobicContact CE2-CD1 4.04Å; F93-F95 AromaticContact CE2-CE1 3.95Å; F93-F95 HydrophobicContact CE2-CE1 3.95Å; F93-T103 CarbonylContact O-C 3.58Å; F93-T103 VanDerWaalsContact O-CA 3.3Å; F93-T103 WeakPolarHBondContact O-CA 3.33Å; F93-Y104 HydrophobicContact CE2-CG 4.43Å; F93-Y104 PolarHBondContact N-O 2.85Å; F93-Y104 PolarHBondContact O-N 3.3Å; F93-L106 HydrophobicContact CE1-CD1 3.62Å; F93-L106 HydrophobicContact CE1-CG 4.3Å; F93-L106 HydrophobicContact CZ-CD1 3.72Å; F93-L106 HydrophobicContact CZ-CG 4.47Å |
| 94 | S | 98.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.6 | 179.9 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | P59 Y60 I61 F102 T103 | P59-S94 PolarHBondContact O-N 3.31Å; Y60-S94 CarbonylContact C-O 3.46Å; Y60-S94 VanDerWaalsContact CA-O 3.31Å; Y60-S94 WeakPolarHBondContact CA-O 3.5Å; I61-S94 PolarHBondContact N-O 2.9Å; S94-F102 CarbonylContact C-O 3.39Å; S94-F102 WeakPolarHBondContact CA-O 3.42Å; S94-F102 WeakPolarHBondContact CB-O 3.48Å; S94-T103 PolarHBondContact OG-OG1 3.47Å |
| 95 | F | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 161.9 | 172.5 | 64.3 | -86 | 0 | 0 | 0 | 110.9 | I61 H70 F74 F81 L82 F93 M97 F102 Y104 | I61-F95 HydrophobicContact CB-CB 3.96Å; I61-F95 HydrophobicContact CD1-CB 4.23Å; I61-F95 HydrophobicContact CD1-CD1 4.28Å; I61-F95 HydrophobicContact CG1-CB 4.24Å; H70-F95 HydrophobicContact CB-CD2 4.08Å; F74-F95 HydrophobicContact CD2-CE2 4.06Å; F74-F95 AromaticContact CD2-CZ 3.79Å; F74-F95 HydrophobicContact CD2-CZ 3.79Å; F74-F95 HydrophobicContact CE2-CZ 4.03Å; F74-F95 HydrophobicContact CG-CE2 4.42Å; F81-F95 HydrophobicContact CD1-CZ 4.38Å; F81-F95 HydrophobicContact CE1-CD1 4.03Å; F81-F95 HydrophobicContact CE1-CD2 4.08Å; F81-F95 AromaticContact CE1-CE1 3.81Å; F81-F95 HydrophobicContact CE1-CE1 3.81Å; F81-F95 AromaticContact CE1-CE2 3.83Å; F81-F95 HydrophobicContact CE1-CE2 3.83Å; F81-F95 HydrophobicContact CE1-CG 4.16Å; F81-F95 AromaticContact CE1-CZ 3.71Å; F81-F95 HydrophobicContact CE1-CZ 3.71Å; F81-F95 HydrophobicContact CZ-CD2 4.11Å; F81-F95 HydrophobicContact CZ-CE2 4.23Å; F81-F95 HydrophobicContact CZ-CG 4.25Å; L82-F95 HydrophobicContact CD2-CE1 4.36Å; F93-F95 HydrophobicContact CD2-CD1 4.07Å; F93-F95 HydrophobicContact CD2-CE1 4.41Å; F93-F95 HydrophobicContact CE2-CD1 4.04Å; F93-F95 AromaticContact CE2-CE1 3.95Å; F93-F95 HydrophobicContact CE2-CE1 3.95Å; F95-M97 HydrophobicContact CD2-CG 3.88Å; F95-M97 HydrophobicContact CD2-SD 4.5Å; F95-M97 HydrophobicContact CE2-CE 3.61Å; F95-M97 HydrophobicContact CE2-CG 3.59Å; F95-M97 HydrophobicContact CE2-SD 3.63Å; F95-M97 HydrophobicContact CZ-CE 4Å; F95-M97 HydrophobicContact CZ-SD 4.44Å; F95-F102 HydrophobicContact CE1-CB 4.38Å; F95-F102 HydrophobicContact CZ-CB 4.37Å; F95-F102 PolarHBondContact N-O 3.41Å; F95-F102 PolarHBondContact O-N 2.91Å; F95-Y104 HydrophobicContact CD1-CD2 4.5Å; F95-Y104 AromaticContact CE1-CD2 3.45Å; F95-Y104 HydrophobicContact CE1-CD2 3.45Å; F95-Y104 VanDerWaalsContact CE1-CD2 3.45Å; F95-Y104 AromaticContact CE1-CE2 3.67Å; F95-Y104 HydrophobicContact CE1-CE2 3.67Å; F95-Y104 HydrophobicContact CE1-CG 4.46Å; F95-Y104 AromaticContact CZ-CD2 3.94Å; F95-Y104 HydrophobicContact CZ-CD2 3.94Å; F95-Y104 AromaticContact CZ-CE2 3.63Å; F95-Y104 HydrophobicContact CZ-CE2 3.63Å |
| 96 | T | 96.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.2 | 178 | -73 | 0 | 0 | 0 | 0 | 112.2 | Y60 G69 H70 K100 | Y60-T96 WeakPolarHBondContact OH-CB 3.45Å; Y60-T96 PolarHBondContact OH-OG1 2.85Å; G69-T96 CarbonylContact C-O 3.26Å; G69-T96 WeakPolarHBondContact CA-O 3.42Å; H70-T96 PolarHBondContact N-O 3.48Å; T96-K100 VanDerWaalsContact CA-O 3.24Å; T96-K100 WeakPolarHBondContact CA-O 3.18Å |
| 97 | M | 92.7 | Very high | 96.4 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 7% | 0.069 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 129.2 | 162.2 | -62 | -174.4 | -74.6 | 0 | 0 | 109.1 | L68 A71 F74 F95 G99 K100 F102 | L68-M97 WeakPolarHBondContact O-CA 3.47Å; A71-M97 HydrophobicContact CB-CB 4.21Å; A71-M97 HydrophobicContact CB-CG 4.4Å; F74-M97 HydrophobicContact CB-SD 3.61Å; F74-M97 HydrophobicContact CD1-CE 4Å; F74-M97 HydrophobicContact CD1-SD 3.47Å; F74-M97 WeakPolarHBondContact CD1-SD 3.15Å; F74-M97 HydrophobicContact CD2-SD 4.26Å; F74-M97 HydrophobicContact CE1-CE 4.19Å; F74-M97 HydrophobicContact CE1-SD 4.24Å; F74-M97 HydrophobicContact CG-CE 4.23Å; F74-M97 HydrophobicContact CG-SD 3.49Å; F74-M97 WeakPolarHBondContact CG-SD 3.37Å; F95-M97 HydrophobicContact CD2-CG 3.88Å; F95-M97 HydrophobicContact CD2-SD 4.5Å; F95-M97 HydrophobicContact CE2-CE 3.61Å; F95-M97 HydrophobicContact CE2-CG 3.59Å; F95-M97 HydrophobicContact CE2-SD 3.63Å; F95-M97 HydrophobicContact CZ-CE 4Å; F95-M97 HydrophobicContact CZ-SD 4.44Å; M97-G99 VanDerWaalsContact C-N 3.28Å; M97-G99 PolarHBondContact O-N 2.66Å; M97-G99 VanDerWaalsContact O-N 3.16Å; M97-K100 PolarHBondContact N-O 3.48Å; M97-K100 PolarHBondContact O-N 2.93Å; M97-F102 HydrophobicContact CB-CD2 4.03Å; M97-F102 HydrophobicContact CB-CE2 3.7Å; M97-F102 HydrophobicContact CE-CD1 3.89Å; M97-F102 HydrophobicContact CE-CD2 3.6Å; M97-F102 HydrophobicContact CE-CE1 3.96Å; M97-F102 HydrophobicContact CE-CE2 3.7Å; M97-F102 HydrophobicContact CE-CG 3.71Å; M97-F102 HydrophobicContact CE-CZ 3.87Å; M97-F102 HydrophobicContact CG-CD2 4.31Å; M97-F102 HydrophobicContact CG-CE2 4.4Å |
| 98 | V | 89.5 | Confident | 96.3 | Very high | 28 Ų | 28 | 26 Ų | 26 | 17% | 0.17 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 49.7 | 174.2 | -155.9 | 0 | 0 | 0 | 0 | 113.4 | F67 L68 A71 K100 W236 L237 | F67-V98 HydrophobicContact CE1-CG1 3.63Å; F67-V98 HydrophobicContact CZ-CG1 3.64Å; F67-V98 CarbonylContact O-C 3.55Å; F67-V98 WeakPolarHBondContact O-CA 3.36Å; F67-V98 PolarHBondContact O-N 3.32Å; F67-V98 VanDerWaalsContact O-N 3.15Å; L68-V98 HydrophobicContact CD1-CG2 4.38Å; L68-V98 PolarHBondContact O-N 3.45Å; A71-V98 HydrophobicContact CB-CG2 3.82Å; V98-K100 VanDerWaalsContact C-N 3.27Å; V98-K100 PolarHBondContact O-N 3.47Å; V98-W236 HydrophobicContact CG2-CZ3 4.42Å; V98-L237 HydrophobicContact CB-CD2 3.64Å; V98-L237 HydrophobicContact CG1-CD1 4.08Å; V98-L237 HydrophobicContact CG1-CD2 3.41Å; V98-L237 VanDerWaalsContact CG1-CD2 3.41Å; V98-L237 HydrophobicContact CG1-CG 4.32Å; V98-L237 HydrophobicContact CG2-CD1 4.22Å; V98-L237 HydrophobicContact CG2-CD2 3.94Å |
| 99 | G | 88.6 | Confident | 96.2 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 27% | 0.268 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -0.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F67 M97 | F67-G99 PolarHBondContact O-N 2.99Å; M97-G99 VanDerWaalsContact C-N 3.28Å; M97-G99 PolarHBondContact O-N 2.66Å; M97-G99 VanDerWaalsContact O-N 3.16Å |
| 100 | K | 92.2 | Very high | 96.1 | Very high | 109 Ų | 109 | 23.2 Ų | 23.2 | 47% | 0.474 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 147.5 | 176.9 | -62.2 | -66.9 | -176.9 | 175.7 | 0 | 111.1 | T96 M97 V98 F102 | T96-K100 VanDerWaalsContact CA-O 3.24Å; T96-K100 WeakPolarHBondContact CA-O 3.18Å; M97-K100 PolarHBondContact N-O 3.48Å; M97-K100 PolarHBondContact O-N 2.93Å; V98-K100 VanDerWaalsContact C-N 3.27Å; V98-K100 PolarHBondContact O-N 3.47Å; K100-F102 HydrophobicContact CB-CE2 3.76Å; K100-F102 HydrophobicContact CB-CZ 4.26Å |
| 101 | T | 97.4 | Very high | 96.1 | Very high | 32 Ų | 32 | 22.1 Ų | 22.1 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.1 | 174.3 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | Y60 H396 Q397 | Y60-T101 HydrophobicContact CE2-CG2 4.16Å; T101-H396 VanDerWaalsContact CG2-CE1 3.4Å; T101-H396 WeakPolarHBondContact CG2-CE1 3.44Å; T101-H396 WeakPolarHBondContact CG2-NE2 3.49Å; T101-Q397 PolarHBondContact O-N 3.23Å |
| 102 | F | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.4 | 175.5 | -66.4 | -97.1 | 0 | 0 | 0 | 108.6 | S94 F95 M97 K100 Y104 W236 M378 Q397 | S94-F102 CarbonylContact C-O 3.39Å; S94-F102 WeakPolarHBondContact CA-O 3.42Å; S94-F102 WeakPolarHBondContact CB-O 3.48Å; F95-F102 HydrophobicContact CE1-CB 4.38Å; F95-F102 HydrophobicContact CZ-CB 4.37Å; F95-F102 PolarHBondContact N-O 3.41Å; F95-F102 PolarHBondContact O-N 2.91Å; M97-F102 HydrophobicContact CB-CD2 4.03Å; M97-F102 HydrophobicContact CB-CE2 3.7Å; M97-F102 HydrophobicContact CE-CD1 3.89Å; M97-F102 HydrophobicContact CE-CD2 3.6Å; M97-F102 HydrophobicContact CE-CE1 3.96Å; M97-F102 HydrophobicContact CE-CE2 3.7Å; M97-F102 HydrophobicContact CE-CG 3.71Å; M97-F102 HydrophobicContact CE-CZ 3.87Å; M97-F102 HydrophobicContact CG-CD2 4.31Å; M97-F102 HydrophobicContact CG-CE2 4.4Å; K100-F102 HydrophobicContact CB-CE2 3.76Å; K100-F102 HydrophobicContact CB-CZ 4.26Å; F102-Y104 HydrophobicContact CB-CD2 4.47Å; F102-Y104 HydrophobicContact CB-CE2 4.32Å; F102-W236 HydrophobicContact CE1-CZ2 4.36Å; F102-W236 HydrophobicContact CE2-CH2 4.27Å; F102-W236 AromaticContact CZ-CH2 3.61Å; F102-W236 HydrophobicContact CZ-CH2 3.61Å; F102-W236 AromaticContact CZ-CZ2 3.63Å; F102-W236 HydrophobicContact CZ-CZ2 3.63Å; F102-M378 HydrophobicContact CE1-SD 4.26Å; F102-Q397 CarbonylContact C-O 3.46Å; F102-Q397 VanDerWaalsContact CA-O 3.27Å; F102-Q397 WeakPolarHBondContact CA-O 3.45Å; F102-Q397 HydrophobicContact CD1-CB 3.89Å; F102-Q397 HydrophobicContact CE1-CB 3.99Å |
| 103 | T | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 112.2 | 172.2 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | P58 V92 F93 S94 I392 H396 Q397 V398 C399 | P58-T103 HydrophobicContact CB-CG2 4.43Å; P58-T103 HydrophobicContact CG-CG2 4.06Å; V92-T103 HydrophobicContact CG1-CG2 4.14Å; F93-T103 CarbonylContact O-C 3.58Å; F93-T103 VanDerWaalsContact O-CA 3.3Å; F93-T103 WeakPolarHBondContact O-CA 3.33Å; S94-T103 PolarHBondContact OG-OG1 3.47Å; T103-I392 HydrophobicContact CG2-CD1 3.92Å; T103-I392 HydrophobicContact CG2-CG1 4.12Å; T103-I392 HydrophobicContact CG2-CG2 4.39Å; T103-H396 PolarHBondContact OG1-ND1 3.08Å; T103-Q397 PolarHBondContact N-O 3.01Å; T103-V398 CarbonylContact O-C 3.56Å; T103-V398 WeakPolarHBondContact O-CA 3.47Å; T103-C399 PolarHBondContact O-N 3.28Å |
| 104 | Y | 98.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 141.4 | 179.8 | -89.3 | -101.9 | 0 | 0 | 0 | 111 | F74 L82 V92 F93 F95 F102 L106 T376 C399 | F74-Y104 HydrophobicContact CE2-CE2 4.39Å; F74-Y104 WeakPolarHBondContact CZ-OH 3.4Å; L82-Y104 HydrophobicContact CD1-CD1 3.98Å; L82-Y104 HydrophobicContact CD1-CE1 3.53Å; L82-Y104 HydrophobicContact CD2-CD1 3.57Å; L82-Y104 HydrophobicContact CD2-CD2 3.93Å; L82-Y104 HydrophobicContact CD2-CE1 3.71Å; L82-Y104 HydrophobicContact CD2-CE2 4.05Å; L82-Y104 HydrophobicContact CD2-CG 3.67Å; L82-Y104 HydrophobicContact CG-CD1 4.44Å; L82-Y104 HydrophobicContact CG-CE1 4.28Å; V92-Y104 WeakPolarHBondContact CA-O 3.08Å; F93-Y104 HydrophobicContact CE2-CG 4.43Å; F93-Y104 PolarHBondContact N-O 2.85Å; F93-Y104 PolarHBondContact O-N 3.3Å; F95-Y104 HydrophobicContact CD1-CD2 4.5Å; F95-Y104 AromaticContact CE1-CD2 3.45Å; F95-Y104 HydrophobicContact CE1-CD2 3.45Å; F95-Y104 VanDerWaalsContact CE1-CD2 3.45Å; F95-Y104 AromaticContact CE1-CE2 3.67Å; F95-Y104 HydrophobicContact CE1-CE2 3.67Å; F95-Y104 HydrophobicContact CE1-CG 4.46Å; F95-Y104 AromaticContact CZ-CD2 3.94Å; F95-Y104 HydrophobicContact CZ-CD2 3.94Å; F95-Y104 AromaticContact CZ-CE2 3.63Å; F95-Y104 HydrophobicContact CZ-CE2 3.63Å; F102-Y104 HydrophobicContact CB-CD2 4.47Å; F102-Y104 HydrophobicContact CB-CE2 4.32Å; Y104-L106 HydrophobicContact CD1-CD2 4Å; Y104-T376 HydrophobicContact CE1-CG2 4.18Å; Y104-T376 WeakPolarHBondContact OH-CG2 3.5Å; Y104-T376 PolarHBondContact OH-OG1 3.42Å; Y104-C399 CarbonylContact C-O 3.51Å; Y104-C399 WeakPolarHBondContact CA-O 3.26Å; Y104-C399 HydrophobicContact CD1-CB 3.72Å; Y104-C399 HydrophobicContact CD2-CB 3.7Å; Y104-C399 HydrophobicContact CE1-CB 3.61Å; Y104-C399 HydrophobicContact CE2-CB 3.61Å; Y104-C399 HydrophobicContact CG-CB 3.79Å |
| 105 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 102.4 | 173.8 | -53.2 | 178.4 | 0 | 0 | 0 | 107.2 | V92 A110 L113 M114 A387 I392 V398 C399 V400 | V92-L105 HydrophobicContact CB-CD2 4.49Å; V92-L105 HydrophobicContact CG1-CD2 3.96Å; V92-L105 HydrophobicContact CG2-CD2 3.89Å; L105-A110 HydrophobicContact CB-CB 4.05Å; L105-L113 HydrophobicContact CD1-CB 4.07Å; L105-L113 HydrophobicContact CD1-CD2 4.03Å; L105-L113 HydrophobicContact CD1-CG 4.33Å; L105-M114 HydrophobicContact CD1-CB 4.26Å; L105-A387 HydrophobicContact CD2-CB 3.98Å; L105-I392 HydrophobicContact CD2-CD1 4.02Å; L105-V398 HydrophobicContact CD1-CG1 3.46Å; L105-V398 VanDerWaalsContact CD1-CG1 3.46Å; L105-V398 HydrophobicContact CG-CG1 3.84Å; L105-C399 PolarHBondContact N-O 2.93Å; L105-V400 HydrophobicContact CB-CG2 4.03Å |
| 106 | L | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | trans | -111.3 | 140.6 | -176.5 | -59.1 | -176.1 | 0 | 0 | 0 | 110.6 | L82 Y86 P91 F93 Y104 A110 V404 | L82-L106 HydrophobicContact CB-CD1 4.32Å; Y86-L106 HydrophobicContact CD2-CB 3.78Å; Y86-L106 HydrophobicContact CD2-CD1 4.13Å; Y86-L106 HydrophobicContact CE2-CB 4.25Å; Y86-L106 HydrophobicContact CG-CD1 4.43Å; P91-L106 WeakPolarHBondContact CB-O 3.43Å; P91-L106 PolarHBondContact O-N 3.13Å; F93-L106 HydrophobicContact CE1-CD1 3.62Å; F93-L106 HydrophobicContact CE1-CG 4.3Å; F93-L106 HydrophobicContact CZ-CD1 3.72Å; F93-L106 HydrophobicContact CZ-CG 4.47Å; Y104-L106 HydrophobicContact CD1-CD2 4Å; L106-A110 WeakPolarHBondContact O-CB 3.17Å; L106-V404 HydrophobicContact CD1-CG1 4.07Å; L106-V404 HydrophobicContact CD2-CB 4.14Å; L106-V404 HydrophobicContact CD2-CG1 4.11Å | ||
| 107 | G | 95.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 88.8 | 162.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A111 N405 | G107-A111 WeakPolarHBondContact O-CB 3.29Å; G107-A111 PolarHBondContact O-N 2.69Å; G107-N405 PolarHBondContact N-OD1 3.43Å; G107-N405 PolarHBondContact O-ND2 2.84Å |
| 108 | S | 93.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 33 Ų | 33 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | -173.3 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | A111 T112 F431 | S108-A111 PolarHBondContact O-N 3.37Å; S108-T112 PolarHBondContact O-N 3.19Å; S108-T112 VanDerWaalsContact O-N 3.1Å; S108-T112 PolarHBondContact O-OG1 2.78Å; S108-F431 PolarHBondContact OG-N 3.34Å; S108-F431 VanDerWaalsContact OG-N 3.1Å |
| 109 | D | 95.1 | Very high | 96.2 | Very high | 144 Ų | 144 | 32 Ų | 32 | 77% | 0.77 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -64.6 | -47.8 | -176.4 | -68.8 | -9 | 0 | 0 | 0 | 112.4 | T112 | D109-T112 VanDerWaalsContact O-CB 3.22Å; D109-T112 WeakPolarHBondContact O-CB 3.4Å; D109-T112 PolarHBondContact O-N 3.3Å; D109-T112 PolarHBondContact O-OG1 2.91Å |
| 110 | A | 96.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 5% | 0.05 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -42.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P91 V92 L105 L106 T112 L113 | P91-A110 HydrophobicContact CB-CB 4.06Å; V92-A110 HydrophobicContact CG2-CB 3.86Å; L105-A110 HydrophobicContact CB-CB 4.05Å; L106-A110 WeakPolarHBondContact O-CB 3.17Å; A110-T112 PolarHBondContact O-N 3.18Å; A110-L113 PolarHBondContact O-N 2.8Å |
| 111 | A | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -21.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G107 S108 L113 M114 F115 V400 | G107-A111 WeakPolarHBondContact O-CB 3.29Å; G107-A111 PolarHBondContact O-N 2.69Å; S108-A111 PolarHBondContact O-N 3.37Å; A111-L113 PolarHBondContact O-N 3.08Å; A111-M114 PolarHBondContact O-N 2.79Å; A111-M114 VanDerWaalsContact O-N 3.09Å; A111-F115 HydrophobicContact CB-CD2 4.21Å; A111-F115 HydrophobicContact CB-CE2 3.92Å; A111-F115 VanDerWaalsContact O-CD2 3.31Å; A111-F115 WeakPolarHBondContact O-CD2 3.26Å; A111-F115 PolarHBondContact O-N 2.87Å; A111-V400 HydrophobicContact CB-CG1 3.99Å; A111-V400 HydrophobicContact CB-CG2 3.81Å |
| 112 | T | 95.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 26% | 0.264 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -51.8 | -38 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | S108 D109 A110 M114 F115 N116 F431 | S108-T112 PolarHBondContact O-N 3.19Å; S108-T112 VanDerWaalsContact O-N 3.1Å; S108-T112 PolarHBondContact O-OG1 2.78Å; D109-T112 VanDerWaalsContact O-CB 3.22Å; D109-T112 WeakPolarHBondContact O-CB 3.4Å; D109-T112 PolarHBondContact O-N 3.3Å; D109-T112 PolarHBondContact O-OG1 2.91Å; A110-T112 PolarHBondContact O-N 3.18Å; T112-M114 PolarHBondContact O-N 3.07Å; T112-F115 PolarHBondContact O-N 3.22Å; T112-N116 VanDerWaalsContact CG2-ND2 3.26Å; T112-N116 WeakPolarHBondContact CG2-ND2 3.15Å; T112-N116 WeakPolarHBondContact O-CB 3.38Å; T112-N116 PolarHBondContact O-N 3.49Å; T112-F431 HydrophobicContact CG2-CE2 4.03Å; T112-F431 VanDerWaalsContact OG1-CD2 3.28Å; T112-F431 WeakPolarHBondContact OG1-CD2 3.5Å; T112-F431 VanDerWaalsContact OG1-CE2 3.31Å; T112-F431 WeakPolarHBondContact OG1-CE2 3.35Å |
| 113 | L | 97 | Very high | 97 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.7 | -53.3 | 177.1 | 172.3 | 64.3 | 0 | 0 | 0 | 111.1 | L105 A110 A111 F115 S117 L122 Q385 A387 I392 | L105-L113 HydrophobicContact CD1-CB 4.07Å; L105-L113 HydrophobicContact CD1-CD2 4.03Å; L105-L113 HydrophobicContact CD1-CG 4.33Å; A110-L113 PolarHBondContact O-N 2.8Å; A111-L113 PolarHBondContact O-N 3.08Å; L113-F115 PolarHBondContact O-N 3.47Å; L113-S117 VanDerWaalsContact O-CB 3.24Å; L113-S117 WeakPolarHBondContact O-CB 3.26Å; L113-S117 PolarHBondContact O-N 3.13Å; L113-S117 PolarHBondContact O-OG 2.99Å; L113-L122 HydrophobicContact CG-CD1 4.18Å; L113-Q385 HydrophobicContact CD1-CB 4.31Å; L113-Q385 HydrophobicContact CD2-CB 3.89Å; L113-A387 HydrophobicContact CB-CB 4.37Å; L113-A387 HydrophobicContact CD2-CB 3.69Å; L113-I392 HydrophobicContact CD2-CD1 3.91Å |
| 114 | M | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | -177 | 178 | 179.8 | -69.9 | 0 | 0 | 112.7 | L105 A111 T112 S117 L122 M377 R379 V398 V400 | L105-M114 HydrophobicContact CD1-CB 4.26Å; A111-M114 PolarHBondContact O-N 2.79Å; A111-M114 VanDerWaalsContact O-N 3.09Å; T112-M114 PolarHBondContact O-N 3.07Å; M114-S117 PolarHBondContact O-OG 3.04Å; M114-L122 HydrophobicContact CB-CD1 4.45Å; M114-M377 HydrophobicContact SD-CB 4.15Å; M114-R379 HydrophobicContact CE-CB 4.48Å; M114-R379 HydrophobicContact CE-CG 4.18Å; M114-R379 HydrophobicContact CG-CG 4.17Å; M114-R379 HydrophobicContact SD-CG 4.35Å; M114-V398 VanDerWaalsContact CE-C 3.44Å; M114-V398 HydrophobicContact CE-CB 4.34Å; M114-V398 HydrophobicContact CE-CG1 4.04Å; M114-V398 WeakPolarHBondContact CE-O 3.34Å; M114-V400 HydrophobicContact CB-CG2 3.85Å; M114-V400 HydrophobicContact CE-CB 4.33Å; M114-V400 HydrophobicContact CE-CG2 3.93Å; M114-V400 HydrophobicContact CG-CG2 4.29Å; M114-V400 HydrophobicContact SD-CB 3.85Å; M114-V400 HydrophobicContact SD-CG2 3.61Å |
| 115 | F | 96 | Very high | 96.8 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.6 | -25.1 | -174.9 | -65.9 | -54.1 | 0 | 0 | 0 | 113.4 | A111 T112 L113 M377 V400 F431 I434 A438 G439 | A111-F115 HydrophobicContact CB-CD2 4.21Å; A111-F115 HydrophobicContact CB-CE2 3.92Å; A111-F115 VanDerWaalsContact O-CD2 3.31Å; A111-F115 WeakPolarHBondContact O-CD2 3.26Å; A111-F115 PolarHBondContact O-N 2.87Å; T112-F115 PolarHBondContact O-N 3.22Å; L113-F115 PolarHBondContact O-N 3.47Å; F115-M377 HydrophobicContact CE1-CE 3.81Å; F115-M377 HydrophobicContact CE1-SD 3.94Å; F115-M377 HydrophobicContact CZ-CE 3.59Å; F115-M377 HydrophobicContact CZ-SD 4.33Å; F115-V400 HydrophobicContact CE2-CG1 3.96Å; F115-V400 HydrophobicContact CE2-CG2 4.49Å; F115-V400 HydrophobicContact CZ-CB 4.35Å; F115-V400 HydrophobicContact CZ-CG1 3.84Å; F115-F431 HydrophobicContact CB-CD1 4.5Å; F115-F431 HydrophobicContact CB-CE1 3.97Å; F115-F431 HydrophobicContact CB-CZ 4.06Å; F115-F431 HydrophobicContact CD2-CB 4.37Å; F115-F431 AromaticContact CD2-CD1 3.76Å; F115-F431 HydrophobicContact CD2-CD1 3.76Å; F115-F431 HydrophobicContact CD2-CE1 4.1Å; F115-F431 AromaticContact CD2-CG 3.97Å; F115-F431 HydrophobicContact CD2-CG 3.97Å; F115-F431 HydrophobicContact CE2-CB 4.48Å; F115-F431 HydrophobicContact CE2-CD1 4.4Å; F115-F431 HydrophobicContact CG-CD1 4.36Å; F115-F431 HydrophobicContact CG-CE1 4.29Å; F115-I434 HydrophobicContact CE2-CD1 3.6Å; F115-I434 HydrophobicContact CE2-CG2 4.3Å; F115-I434 HydrophobicContact CZ-CD1 3.6Å; F115-A438 HydrophobicContact CB-CB 3.97Å; F115-A438 HydrophobicContact CD1-CB 3.76Å; F115-A438 HydrophobicContact CD2-CB 4.4Å; F115-A438 HydrophobicContact CE1-CB 4.39Å; F115-A438 HydrophobicContact CG-CB 3.78Å; F115-G439 WeakPolarHBondContact O-CA 3.45Å |
| 116 | N | 96.1 | Very high | 96.7 | Very high | 93 Ų | 93 | 35.4 Ų | 35.4 | 50% | 0.497 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -94.8 | -19.1 | 177.9 | -68.7 | -11.1 | 0 | 0 | 0 | 113.4 | T112 R440 | T112-N116 VanDerWaalsContact CG2-ND2 3.26Å; T112-N116 WeakPolarHBondContact CG2-ND2 3.15Å; T112-N116 WeakPolarHBondContact O-CB 3.38Å; T112-N116 PolarHBondContact O-N 3.49Å; N116-R440 PolarHBondContact O-NH1 2.92Å |
| 117 | S | 96.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -58 | 149 | -177.9 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | L113 M114 L122 R440 | L113-S117 VanDerWaalsContact O-CB 3.24Å; L113-S117 WeakPolarHBondContact O-CB 3.26Å; L113-S117 PolarHBondContact O-N 3.13Å; L113-S117 PolarHBondContact O-OG 2.99Å; M114-S117 PolarHBondContact O-OG 3.04Å; S117-L122 WeakPolarHBondContact OG-CB 3.37Å; S117-R440 PolarHBondContact O-NH1 3.09Å |
| 118 | K | 96.9 | Very high | 96.5 | Very high | 116 Ų | 116 | 36.8 Ų | 36.8 | 50% | 0.504 | 19% | 0.19 | S | C | . | . | trans | -77.8 | 159.5 | 166.7 | -48.7 | -179.7 | 175.6 | 172.5 | 0 | 109.8 | E120 D121 L122 | K118-E120 WeakPolarHBondContact CB-OE2 3.39Å; K118-E120 PolarHBondContact O-N 3.28Å; K118-D121 PolarHBondContact O-N 3.03Å; K118-L122 PolarHBondContact O-N 2.94Å; K118-L122 VanDerWaalsContact O-N 3.09Å | ||
| 119 | N | 97.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.7 | -175.7 | -167.5 | 76.1 | 0 | 0 | 0 | 112.4 | D121 N123 A124 E125 N146 H441 | N119-D121 VanDerWaalsContact C-N 3.29Å; N119-N123 PolarHBondContact ND2-ND2 3.18Å; N119-N123 VanDerWaalsContact O-CA 3.26Å; N119-N123 WeakPolarHBondContact O-CA 3.49Å; N119-N123 WeakPolarHBondContact O-CB 3.31Å; N119-N123 PolarHBondContact O-ND2 3.12Å; N119-A124 PolarHBondContact OD1-N 3.44Å; N119-E125 VanDerWaalsContact ND2-CD 3.35Å; N119-E125 PolarHBondContact ND2-OE1 3.33Å; N119-E125 PolarHBondContact ND2-OE2 3.29Å; N119-N146 HydrophobicContact CB-CB 4.15Å; N119-N146 WeakPolarHBondContact ND2-CB 3.38Å; N119-H441 PolarHBondContact OD1-NE2 3.23Å |
| 120 | E | 96.9 | Very high | 96.2 | Very high | 108 Ų | 108 | 34.3 Ų | 34.3 | 51% | 0.505 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -27.4 | 171.1 | -58.6 | 72.8 | -154.1 | 0 | 0 | 111.7 | K118 R382 | K118-E120 WeakPolarHBondContact CB-OE2 3.39Å; K118-E120 PolarHBondContact O-N 3.28Å; E120-R382 VanDerWaalsContact O-CB 3.31Å; E120-R382 WeakPolarHBondContact O-CB 3.4Å |
| 121 | D | 97.7 | Very high | 95.9 | Very high | 46 Ų | 46 | 34.6 Ų | 34.6 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -54.2 | -179.6 | -64.3 | -51.5 | 0 | 0 | 0 | 111.9 | K118 N119 R382 T383 | K118-D121 PolarHBondContact O-N 3.03Å; N119-D121 VanDerWaalsContact C-N 3.29Å; D121-R382 PolarHBondContact O-N 3.49Å; D121-T383 WeakPolarHBondContact CA-OG1 3.39Å; D121-T383 WeakPolarHBondContact CB-OG1 3.18Å; D121-T383 PolarHBondContact OD1-OG1 3.07Å |
| 122 | L | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 96.3 | 176.2 | -70 | -172.4 | 0 | 0 | 0 | 108.8 | L113 M114 S117 K118 R379 M380 A381 Q385 V398 | L113-L122 HydrophobicContact CG-CD1 4.18Å; M114-L122 HydrophobicContact CB-CD1 4.45Å; S117-L122 WeakPolarHBondContact OG-CB 3.37Å; K118-L122 PolarHBondContact O-N 2.94Å; K118-L122 VanDerWaalsContact O-N 3.09Å; L122-R379 HydrophobicContact CB-CB 3.74Å; L122-R379 HydrophobicContact CB-CG 4.03Å; L122-R379 WeakPolarHBondContact O-CD 3.27Å; L122-M380 CarbonylContact C-O 3.47Å; L122-M380 WeakPolarHBondContact CA-O 3.42Å; L122-A381 HydrophobicContact CD2-CB 3.93Å; L122-Q385 HydrophobicContact CD2-CG 3.78Å; L122-Q385 HydrophobicContact CG-CG 4.1Å; L122-V398 HydrophobicContact CD1-CG1 4.39Å; L122-V398 HydrophobicContact CD2-CB 4.17Å; L122-V398 HydrophobicContact CD2-CG2 3.77Å |
| 123 | N | 98.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131 | -167.2 | -172.1 | -89.5 | 0 | 0 | 0 | 112.9 | N119 E125 D126 R379 M380 R382 | N119-N123 PolarHBondContact ND2-ND2 3.18Å; N119-N123 VanDerWaalsContact O-CA 3.26Å; N119-N123 WeakPolarHBondContact O-CA 3.49Å; N119-N123 WeakPolarHBondContact O-CB 3.31Å; N119-N123 PolarHBondContact O-ND2 3.12Å; N123-E125 VanDerWaalsContact CG-OE2 3.23Å; N123-E125 PolarHBondContact ND2-OE2 3Å; N123-E125 PolarHBondContact OD1-N 3.13Å; N123-E125 VanDerWaalsContact OD1-N 3.09Å; N123-E125 PolarHBondContact OD1-OE2 3.48Å; N123-E125 VanDerWaalsContact OD1-OE2 3.12Å; N123-D126 HydrophobicContact CB-CB 4.46Å; N123-D126 WeakPolarHBondContact OD1-CB 3.46Å; N123-D126 PolarHBondContact OD1-N 2.69Å; N123-D126 PolarHBondContact OD1-OD1 2.95Å; N123-D126 PolarHBondContact OD1-OD2 3.02Å; N123-R379 CarbonylContact O-C 3.48Å; N123-R379 VanDerWaalsContact O-CA 3.31Å; N123-R379 WeakPolarHBondContact O-CA 3.13Å; N123-M380 PolarHBondContact N-O 2.91Å; N123-M380 PolarHBondContact O-N 2.84Å; N123-R382 HydrophobicContact CB-CG 4.06Å; N123-R382 VanDerWaalsContact CG-CZ 3.48Å |
| 124 | A | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -84.3 | -39.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N119 D126 V127 Y128 Y142 H441 | N119-A124 PolarHBondContact OD1-N 3.44Å; A124-D126 VanDerWaalsContact C-N 3.31Å; A124-D126 PolarHBondContact O-N 3.41Å; A124-V127 PolarHBondContact O-N 2.73Å; A124-V127 VanDerWaalsContact O-N 3.12Å; A124-Y128 HydrophobicContact CB-CD2 4.14Å; A124-Y128 HydrophobicContact CB-CE2 4.36Å; A124-Y128 VanDerWaalsContact O-CD2 3.27Å; A124-Y128 WeakPolarHBondContact O-CD2 3.17Å; A124-Y128 PolarHBondContact O-N 3.18Å; A124-Y128 VanDerWaalsContact O-N 3.09Å; A124-Y142 HydrophobicContact CB-CD1 4.24Å; A124-Y142 HydrophobicContact CB-CE1 3.86Å; A124-H441 VanDerWaalsContact CB-CE1 3.45Å; A124-H441 WeakPolarHBondContact CB-CE1 3.37Å |
| 125 | E | 96.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.1 | -35.6 | -171.3 | -57.6 | 75.4 | -154.1 | 0 | 0 | 111.6 | N119 N123 V127 Y128 S129 Y142 N146 H441 | N119-E125 VanDerWaalsContact ND2-CD 3.35Å; N119-E125 PolarHBondContact ND2-OE1 3.33Å; N119-E125 PolarHBondContact ND2-OE2 3.29Å; N123-E125 VanDerWaalsContact CG-OE2 3.23Å; N123-E125 PolarHBondContact ND2-OE2 3Å; N123-E125 PolarHBondContact OD1-N 3.13Å; N123-E125 VanDerWaalsContact OD1-N 3.09Å; N123-E125 PolarHBondContact OD1-OE2 3.48Å; N123-E125 VanDerWaalsContact OD1-OE2 3.12Å; E125-V127 PolarHBondContact O-N 2.96Å; E125-V127 VanDerWaalsContact O-N 3.15Å; E125-Y128 PolarHBondContact O-N 2.95Å; E125-S129 WeakPolarHBondContact O-CB 3.39Å; E125-S129 PolarHBondContact O-N 2.95Å; E125-S129 PolarHBondContact O-OG 2.81Å; E125-Y142 HydrophobicContact CG-CD1 4.11Å; E125-N146 PolarHBondContact OE1-ND2 3.45Å; E125-N146 VanDerWaalsContact OE1-ND2 3.09Å; E125-H441 IonicContact OE1-CE1 3.48Å |
| 126 | D | 96.1 | Very high | 95.5 | Very high | 69 Ų | 69 | 34.7 Ų | 34.7 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.2 | -24.9 | 175.9 | -74.6 | -12.8 | 0 | 0 | 0 | 113.7 | N123 A124 M380 R382 | N123-D126 HydrophobicContact CB-CB 4.46Å; N123-D126 WeakPolarHBondContact OD1-CB 3.46Å; N123-D126 PolarHBondContact OD1-N 2.69Å; N123-D126 PolarHBondContact OD1-OD1 2.95Å; N123-D126 PolarHBondContact OD1-OD2 3.02Å; A124-D126 VanDerWaalsContact C-N 3.31Å; A124-D126 PolarHBondContact O-N 3.41Å; D126-M380 HydrophobicContact CB-CB 3.56Å; D126-M380 HydrophobicContact CB-CG 4.05Å; D126-R382 IonicContact OD1-CZ 2.71Å; D126-R382 IonicContact OD1-NE 3.8Å; D126-R382 IonicContact OD1-NH2 3.83Å; D126-R382 PolarHBondContact OD1-NH2 3.08Å; D126-R382 IonicContact OD2-CZ 2.71Å; D126-R382 IonicContact OD2-NE 3.68Å; D126-R382 PolarHBondContact OD2-NE 3.05Å; D126-R382 IonicContact OD2-NH2 2.67Å; D126-R382 PolarHBondContact OD2-NH2 2.79Å; D126-R382 VanDerWaalsContact OD2-NH2 3.17Å |
| 127 | V | 94.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -97 | -43.8 | 178.9 | -175.6 | 0 | 0 | 0 | 0 | 111 | A124 E125 M378 M380 | A124-V127 PolarHBondContact O-N 2.73Å; A124-V127 VanDerWaalsContact O-N 3.12Å; E125-V127 PolarHBondContact O-N 2.96Å; E125-V127 VanDerWaalsContact O-N 3.15Å; V127-M378 HydrophobicContact CG1-CB 3.9Å; V127-M378 HydrophobicContact CG1-CE 4.3Å; V127-M378 HydrophobicContact CG1-SD 4.32Å; V127-M380 HydrophobicContact CG2-CB 4.12Å |
| 128 | Y | 94.9 | Very high | 95.5 | Very high | 33 Ų | 33 | 36.8 Ų | 36.8 | 13% | 0.129 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -95.7 | -28.8 | -166.5 | -61.6 | -52.7 | 0 | 0 | 0 | 115.2 | A124 E125 K130 L131 T132 Y142 M378 | A124-Y128 HydrophobicContact CB-CD2 4.14Å; A124-Y128 HydrophobicContact CB-CE2 4.36Å; A124-Y128 VanDerWaalsContact O-CD2 3.27Å; A124-Y128 WeakPolarHBondContact O-CD2 3.17Å; A124-Y128 PolarHBondContact O-N 3.18Å; A124-Y128 VanDerWaalsContact O-N 3.09Å; E125-Y128 PolarHBondContact O-N 2.95Å; Y128-K130 VanDerWaalsContact C-N 3.26Å; Y128-K130 PolarHBondContact O-N 3.39Å; Y128-K130 VanDerWaalsContact O-N 3.15Å; Y128-L131 PolarHBondContact O-N 2.95Å; Y128-T132 PolarHBondContact O-N 3.11Å; Y128-T132 PolarHBondContact O-OG1 3.06Å; Y128-Y142 HydrophobicContact CD2-CD1 4.44Å; Y128-Y142 HydrophobicContact CD2-CD2 4.42Å; Y128-Y142 HydrophobicContact CD2-CE1 4.04Å; Y128-Y142 HydrophobicContact CD2-CE2 4Å; Y128-Y142 AromaticContact CD2-CZ 3.8Å; Y128-Y142 HydrophobicContact CG-CD2 4.33Å; Y128-Y142 HydrophobicContact CG-CE2 4.16Å; Y128-M378 HydrophobicContact CE1-CE 3.91Å; Y128-M378 PolarHBondContact OH-N 3.45Å; Y128-M378 PolarHBondContact OH-O 3.16Å |
| 129 | S | 94.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -50.8 | -44.6 | -174.9 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | E125 L131 T132 T133 Y142 | E125-S129 WeakPolarHBondContact O-CB 3.39Å; E125-S129 PolarHBondContact O-N 2.95Å; E125-S129 PolarHBondContact O-OG 2.81Å; S129-L131 PolarHBondContact O-N 3.08Å; S129-T132 PolarHBondContact O-N 3.36Å; S129-T133 WeakPolarHBondContact O-CB 3.45Å; S129-T133 PolarHBondContact O-N 3.47Å; S129-T133 PolarHBondContact O-OG1 3.38Å; S129-T133 VanDerWaalsContact O-OG1 3.04Å; S129-Y142 WeakPolarHBondContact CB-O 3.19Å |
| 130 | K | 89.8 | Confident | 95.6 | Very high | 73 Ų | 73 | 32.1 Ų | 32.1 | 32% | 0.317 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.4 | -34 | 179.4 | -170.8 | -175.3 | 172.8 | -163.1 | 0 | 113.4 | Y128 P134 W236 L237 L238 T240 | Y128-K130 VanDerWaalsContact C-N 3.26Å; Y128-K130 PolarHBondContact O-N 3.39Å; Y128-K130 VanDerWaalsContact O-N 3.15Å; K130-P134 WeakPolarHBondContact O-CD 3.28Å; K130-W236 PolarHBondContact NZ-O 3.38Å; K130-L237 PolarHBondContact NZ-O 3.45Å; K130-L238 WeakPolarHBondContact CE-O 3.36Å; K130-L238 PolarHBondContact NZ-O 3.46Å; K130-T240 HydrophobicContact CG-CG2 4.05Å |
| 131 | L | 89.4 | Confident | 95.6 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -86.7 | -45.3 | 178.6 | -76 | 174.3 | 0 | 0 | 0 | 111.8 | Y128 S129 A235 W236 M481 | Y128-L131 PolarHBondContact O-N 2.95Å; S129-L131 PolarHBondContact O-N 3.08Å; L131-A235 HydrophobicContact CD2-CB 3.6Å; L131-W236 HydrophobicContact CD1-CB 4.23Å; L131-W236 HydrophobicContact CD1-CG 4.38Å; L131-W236 HydrophobicContact CD2-CB 4.03Å; L131-W236 HydrophobicContact CG-CB 4.44Å; L131-M481 HydrophobicContact CD1-SD 4.38Å |
| 132 | T | 94.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 7% | 0.067 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -87.7 | -35.7 | -168.1 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | Y128 S129 V135 F136 Y142 F231 | Y128-T132 PolarHBondContact O-N 3.11Å; Y128-T132 PolarHBondContact O-OG1 3.06Å; S129-T132 PolarHBondContact O-N 3.36Å; T132-V135 PolarHBondContact O-N 3.01Å; T132-F136 HydrophobicContact CG2-CD2 4.37Å; T132-F136 HydrophobicContact CG2-CE2 3.73Å; T132-F136 HydrophobicContact CG2-CZ 4.26Å; T132-F136 PolarHBondContact O-N 3.47Å; T132-Y142 HydrophobicContact CG2-CD2 3.94Å; T132-Y142 HydrophobicContact CG2-CE2 4.34Å; T132-Y142 WeakPolarHBondContact OG1-CD2 3.37Å; T132-F231 HydrophobicContact CG2-CE1 4.01Å |
| 133 | T | 95.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 14% | 0.135 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | -177.3 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | S129 V135 G137 K138 D143 | S129-T133 WeakPolarHBondContact O-CB 3.45Å; S129-T133 PolarHBondContact O-N 3.47Å; S129-T133 PolarHBondContact O-OG1 3.38Å; S129-T133 VanDerWaalsContact O-OG1 3.04Å; T133-V135 PolarHBondContact O-N 3.33Å; T133-G137 CarbonylContact O-C 3.57Å; T133-G137 WeakPolarHBondContact O-CA 3.1Å; T133-G137 PolarHBondContact O-N 3.06Å; T133-K138 HydrophobicContact CG2-CG 4.34Å; T133-D143 HydrophobicContact CG2-CB 4.01Å; T133-D143 WeakPolarHBondContact CG2-OD1 3.06Å; T133-D143 PolarHBondContact OG1-OD1 3.47Å |
| 134 | P | 94.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 19% | 0.188 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.1 | -15.4 | 175.9 | -22.3 | 35.6 | 0 | 0 | 0 | 114.6 | K130 T240 | K130-P134 WeakPolarHBondContact O-CD 3.28Å; P134-T240 HydrophobicContact CG-CG2 4.26Å |
| 135 | V | 94.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -96.1 | -53.3 | -180 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | T132 T133 L227 F231 R250 H254 L307 | T132-V135 PolarHBondContact O-N 3.01Å; T133-V135 PolarHBondContact O-N 3.33Å; V135-L227 HydrophobicContact CG1-CB 4.33Å; V135-L227 HydrophobicContact CG1-CD2 4.24Å; V135-F231 HydrophobicContact CB-CE1 4.46Å; V135-F231 HydrophobicContact CB-CE2 4.31Å; V135-F231 HydrophobicContact CB-CZ 3.91Å; V135-F231 HydrophobicContact CG1-CE2 3.75Å; V135-F231 HydrophobicContact CG1-CZ 3.78Å; V135-F231 HydrophobicContact CG2-CE1 4.07Å; V135-F231 HydrophobicContact CG2-CE2 4.17Å; V135-F231 HydrophobicContact CG2-CZ 3.88Å; V135-R250 HydrophobicContact CG2-CG 4.23Å; V135-H254 PolarHBondContact O-CE1 3.24Å; V135-H254 PolarHBondContact O-ND1 2.93Å; V135-L307 HydrophobicContact CG1-CD1 3.48Å; V135-L307 VanDerWaalsContact CG1-CD1 3.48Å |
| 136 | F | 95.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -81.5 | -27.9 | -177.6 | -54.2 | -27.3 | 0 | 0 | 0 | 112.5 | T132 V140 A141 F231 H254 G300 I303 L307 | T132-F136 HydrophobicContact CG2-CD2 4.37Å; T132-F136 HydrophobicContact CG2-CE2 3.73Å; T132-F136 HydrophobicContact CG2-CZ 4.26Å; T132-F136 PolarHBondContact O-N 3.47Å; F136-V140 HydrophobicContact CB-CG2 3.88Å; F136-A141 HydrophobicContact CD2-CB 3.88Å; F136-A141 HydrophobicContact CE2-CB 4.37Å; F136-F231 HydrophobicContact CE1-CE2 4.46Å; F136-F231 AromaticContact CE1-CZ 3.92Å; F136-F231 HydrophobicContact CE1-CZ 3.92Å; F136-F231 AromaticContact CZ-CZ 3.95Å; F136-F231 HydrophobicContact CZ-CZ 3.95Å; F136-H254 VanDerWaalsContact C-CE1 3.47Å; F136-H254 PolarHBondContact O-CE1 3.44Å; F136-G300 WeakPolarHBondContact O-CA 3.37Å; F136-I303 HydrophobicContact CD1-CG2 4.16Å; F136-L307 HydrophobicContact CD1-CD1 4.21Å; F136-L307 HydrophobicContact CE1-CB 4.3Å; F136-L307 HydrophobicContact CE1-CD1 3.8Å |
| 137 | G | 95.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | trans | 102.4 | 175 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T133 V140 H254 | T133-G137 CarbonylContact O-C 3.57Å; T133-G137 WeakPolarHBondContact O-CA 3.1Å; T133-G137 PolarHBondContact O-N 3.06Å; G137-V140 WeakPolarHBondContact O-CG2 3.3Å; G137-H254 WeakPolarHBondContact CA-CE1 3.28Å; G137-H254 PolarHBondContact N-CE1 2.7Å; G137-H254 VanDerWaalsContact N-CE1 3.31Å | ||
| 138 | K | 96.6 | Very high | 95.8 | Very high | 151 Ų | 151 | 38 Ų | 38 | 66% | 0.657 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 159.1 | 177.9 | -66.8 | -173.7 | 176.7 | -175.9 | 0 | 111.5 | T133 V140 D143 | T133-K138 HydrophobicContact CG2-CG 4.34Å; K138-V140 PolarHBondContact O-N 2.82Å; K138-D143 WeakPolarHBondContact CA-OD2 3.17Å; K138-D143 WeakPolarHBondContact CB-OD2 3.44Å |
| 139 | G | 97.3 | Very high | 96 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 3.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D143 V144 Q152 | G139-D143 PolarHBondContact N-OD2 3.49Å; G139-V144 VanDerWaalsContact O-CG1 3.32Å; G139-V144 WeakPolarHBondContact O-CG1 3.4Å; G139-Q152 PolarHBondContact O-NE2 2.84Å |
| 140 | V | 97.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -133 | 156.1 | -177.5 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | F136 G137 K138 Y142 D143 E297 M301 | F136-V140 HydrophobicContact CB-CG2 3.88Å; G137-V140 WeakPolarHBondContact O-CG2 3.3Å; K138-V140 PolarHBondContact O-N 2.82Å; V140-Y142 PolarHBondContact O-N 3.44Å; V140-D143 WeakPolarHBondContact O-CB 3.46Å; V140-D143 PolarHBondContact O-N 2.93Å; V140-D143 VanDerWaalsContact O-N 3.11Å; V140-E297 HydrophobicContact CG1-CB 4.21Å; V140-E297 HydrophobicContact CG1-CG 4.41Å; V140-E297 WeakPolarHBondContact CG1-O 3.48Å; V140-M301 HydrophobicContact CB-CG 4.38Å; V140-M301 HydrophobicContact CG1-CG 3.83Å |
| 141 | A | 96.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 11% | 0.107 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | 54.6 | -118.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | F136 D143 V144 F149 | F136-A141 HydrophobicContact CD2-CB 3.88Å; F136-A141 HydrophobicContact CE2-CB 4.37Å; A141-D143 VanDerWaalsContact C-N 3.31Å; A141-D143 PolarHBondContact O-N 3.41Å; A141-V144 WeakPolarHBondContact O-CG2 3.2Å; A141-F149 HydrophobicContact CB-CE2 4.14Å |
| 142 | Y | 97.5 | Very high | 96.9 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 19% | 0.188 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -86.3 | 3.1 | -175.8 | -58.4 | -63.7 | 0 | 0 | 0 | 113.9 | A124 E125 Y128 S129 T132 V140 F149 | A124-Y142 HydrophobicContact CB-CD1 4.24Å; A124-Y142 HydrophobicContact CB-CE1 3.86Å; E125-Y142 HydrophobicContact CG-CD1 4.11Å; Y128-Y142 HydrophobicContact CD2-CD1 4.44Å; Y128-Y142 HydrophobicContact CD2-CD2 4.42Å; Y128-Y142 HydrophobicContact CD2-CE1 4.04Å; Y128-Y142 HydrophobicContact CD2-CE2 4Å; Y128-Y142 AromaticContact CD2-CZ 3.8Å; Y128-Y142 HydrophobicContact CG-CD2 4.33Å; Y128-Y142 HydrophobicContact CG-CE2 4.16Å; S129-Y142 WeakPolarHBondContact CB-O 3.19Å; T132-Y142 HydrophobicContact CG2-CD2 3.94Å; T132-Y142 HydrophobicContact CG2-CE2 4.34Å; T132-Y142 WeakPolarHBondContact OG1-CD2 3.37Å; V140-Y142 PolarHBondContact O-N 3.44Å; Y142-F149 HydrophobicContact CD1-CE1 4.41Å; Y142-F149 AromaticContact CE1-CE1 3.93Å; Y142-F149 HydrophobicContact CE1-CE1 3.93Å |
| 143 | D | 97.9 | Very high | 97 | Very high | 65 Ų | 65 | 37 Ų | 37 | 35% | 0.348 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -81.4 | -18.2 | 172.6 | -166.6 | 60.1 | 0 | 0 | 0 | 112.9 | T133 K138 G139 V140 A141 | T133-D143 HydrophobicContact CG2-CB 4.01Å; T133-D143 WeakPolarHBondContact CG2-OD1 3.06Å; T133-D143 PolarHBondContact OG1-OD1 3.47Å; K138-D143 WeakPolarHBondContact CA-OD2 3.17Å; K138-D143 WeakPolarHBondContact CB-OD2 3.44Å; G139-D143 PolarHBondContact N-OD2 3.49Å; V140-D143 WeakPolarHBondContact O-CB 3.46Å; V140-D143 PolarHBondContact O-N 2.93Å; V140-D143 VanDerWaalsContact O-N 3.11Å; A141-D143 VanDerWaalsContact C-N 3.31Å; A141-D143 PolarHBondContact O-N 3.41Å |
| 144 | V | 98 | Very high | 97 | Very high | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -111.2 | 159.7 | -175.6 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | G139 A141 I148 F149 | G139-V144 VanDerWaalsContact O-CG1 3.32Å; G139-V144 WeakPolarHBondContact O-CG1 3.4Å; A141-V144 WeakPolarHBondContact O-CG2 3.2Å; V144-I148 HydrophobicContact CB-CB 4.12Å; V144-I148 HydrophobicContact CB-CG2 4.05Å; V144-I148 HydrophobicContact CG1-CG2 4.38Å; V144-I148 HydrophobicContact CG2-CB 4.05Å; V144-I148 HydrophobicContact CG2-CG2 3.93Å; V144-F149 HydrophobicContact CG2-CB 4.07Å |
| 145 | P | 97.5 | Very high | 97 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 58% | 0.584 | 22% | 0.221 | S | C | * | . | trans | -56 | 146 | 171.4 | -25.4 | 35.3 | 0 | 0 | 0 | 112.2 | P147 I148 F149 | P145-P147 VanDerWaalsContact C-CD 3.44Å; P145-P147 VanDerWaalsContact C-N 3.34Å; P145-P147 VanDerWaalsContact O-N 3.16Å; P145-I148 WeakPolarHBondContact O-CB 3.28Å; P145-I148 PolarHBondContact O-N 2.99Å; P145-F149 PolarHBondContact O-N 3.45Å; P145-F149 VanDerWaalsContact O-N 3.16Å | ||
| 146 | N | 97.6 | Very high | 97 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -51.8 | -40.7 | -175.7 | -165.9 | -101.8 | 0 | 0 | 0 | 114.9 | N119 E125 I148 F149 L150 H441 | N119-N146 HydrophobicContact CB-CB 4.15Å; N119-N146 WeakPolarHBondContact ND2-CB 3.38Å; E125-N146 PolarHBondContact OE1-ND2 3.45Å; E125-N146 VanDerWaalsContact OE1-ND2 3.09Å; N146-I148 VanDerWaalsContact C-N 3.31Å; N146-I148 PolarHBondContact O-N 3.01Å; N146-F149 PolarHBondContact O-N 2.91Å; N146-L150 WeakPolarHBondContact O-CG 3.44Å; N146-L150 PolarHBondContact O-N 2.99Å; N146-H441 PolarHBondContact ND2-CE1 3.49Å; N146-H441 PolarHBondContact ND2-NE2 3.31Å |
| 147 | P | 97.9 | Very high | 96.9 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 49% | 0.494 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 175.8 | -26.7 | 36.7 | 0 | 0 | 0 | 113.9 | P145 L150 E151 | P145-P147 VanDerWaalsContact C-CD 3.44Å; P145-P147 VanDerWaalsContact C-N 3.34Å; P145-P147 VanDerWaalsContact O-N 3.16Å; P147-L150 PolarHBondContact O-N 3.27Å; P147-E151 PolarHBondContact O-N 2.64Å |
| 148 | I | 98 | Very high | 96.6 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 176.8 | -57.3 | -58.6 | 0 | 0 | 0 | 110.1 | V144 P145 N146 L150 E151 Q152 Y287 | V144-I148 HydrophobicContact CB-CB 4.12Å; V144-I148 HydrophobicContact CB-CG2 4.05Å; V144-I148 HydrophobicContact CG1-CG2 4.38Å; V144-I148 HydrophobicContact CG2-CB 4.05Å; V144-I148 HydrophobicContact CG2-CG2 3.93Å; P145-I148 WeakPolarHBondContact O-CB 3.28Å; P145-I148 PolarHBondContact O-N 2.99Å; N146-I148 VanDerWaalsContact C-N 3.31Å; N146-I148 PolarHBondContact O-N 3.01Å; I148-L150 VanDerWaalsContact C-N 3.3Å; I148-L150 PolarHBondContact O-N 3.26Å; I148-E151 WeakPolarHBondContact O-CB 3.44Å; I148-E151 PolarHBondContact O-N 3.33Å; I148-E151 VanDerWaalsContact O-N 3.12Å; I148-Q152 PolarHBondContact O-N 2.95Å; I148-Y287 HydrophobicContact CG2-CE1 3.83Å |
| 149 | F | 98.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -36.7 | 175.4 | -179.7 | -142.6 | 0 | 0 | 0 | 112.4 | A141 Y142 V144 P145 N146 E151 Q152 K153 | A141-F149 HydrophobicContact CB-CE2 4.14Å; Y142-F149 HydrophobicContact CD1-CE1 4.41Å; Y142-F149 AromaticContact CE1-CE1 3.93Å; Y142-F149 HydrophobicContact CE1-CE1 3.93Å; V144-F149 HydrophobicContact CG2-CB 4.07Å; P145-F149 PolarHBondContact O-N 3.45Å; P145-F149 VanDerWaalsContact O-N 3.16Å; N146-F149 PolarHBondContact O-N 2.91Å; F149-E151 VanDerWaalsContact C-N 3.29Å; F149-E151 PolarHBondContact O-N 3.38Å; F149-Q152 HydrophobicContact CD2-CB 4.41Å; F149-Q152 WeakPolarHBondContact O-CB 3.25Å; F149-Q152 PolarHBondContact O-N 2.82Å; F149-K153 HydrophobicContact CD1-CD 4.27Å; F149-K153 HydrophobicContact CD2-CD 4.39Å; F149-K153 HydrophobicContact CD2-CG 4.01Å; F149-K153 HydrophobicContact CE1-CD 3.86Å; F149-K153 HydrophobicContact CE1-CG 4.43Å; F149-K153 HydrophobicContact CE2-CD 3.97Å; F149-K153 HydrophobicContact CE2-CG 3.63Å; F149-K153 HydrophobicContact CZ-CD 3.7Å; F149-K153 HydrophobicContact CZ-CG 3.88Å; F149-K153 WeakPolarHBondContact O-CG 3.38Å; F149-K153 PolarHBondContact O-N 2.85Å |
| 150 | L | 97.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.9 | -34.6 | 174.5 | -69.8 | 177.2 | 0 | 0 | 0 | 112.3 | N146 P147 I148 K154 | N146-L150 WeakPolarHBondContact O-CG 3.44Å; N146-L150 PolarHBondContact O-N 2.99Å; P147-L150 PolarHBondContact O-N 3.27Å; I148-L150 VanDerWaalsContact C-N 3.3Å; I148-L150 PolarHBondContact O-N 3.26Å; L150-K154 WeakPolarHBondContact O-CB 3.5Å; L150-K154 PolarHBondContact O-N 3.36Å |
| 151 | E | 97.9 | Very high | 95.6 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.5 | -46.2 | 172.2 | -69 | -178.1 | -144.6 | 0 | 0 | 111.4 | P147 I148 F149 K153 K154 M155 Y287 K288 | P147-E151 PolarHBondContact O-N 2.64Å; I148-E151 WeakPolarHBondContact O-CB 3.44Å; I148-E151 PolarHBondContact O-N 3.33Å; I148-E151 VanDerWaalsContact O-N 3.12Å; F149-E151 VanDerWaalsContact C-N 3.29Å; F149-E151 PolarHBondContact O-N 3.38Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.2Å; E151-K154 WeakPolarHBondContact O-CA 3.4Å; E151-K154 WeakPolarHBondContact O-CB 3.48Å; E151-K154 PolarHBondContact O-N 3.28Å; E151-M155 WeakPolarHBondContact O-CG 3.41Å; E151-M155 PolarHBondContact O-N 2.74Å; E151-Y287 HydrophobicContact CB-CD1 3.98Å; E151-Y287 HydrophobicContact CB-CE1 4.28Å; E151-K288 HydrophobicContact CG-CD 4.46Å; E151-K288 HydrophobicContact CG-CG 4.49Å; E151-K288 WeakPolarHBondContact OE1-CD 3.37Å; E151-K288 IonicContact OE1-NZ 2.76Å; E151-K288 WeakPolarHBondContact OE2-CG 3.46Å; E151-K288 PolarHBondContact OE2-N 3.02Å |
| 152 | Q | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 173.7 | -68.4 | 174.3 | -3.8 | 0 | 0 | 112 | G139 I148 F149 K154 M155 L156 Y287 M301 | G139-Q152 PolarHBondContact O-NE2 2.84Å; I148-Q152 PolarHBondContact O-N 2.95Å; F149-Q152 HydrophobicContact CD2-CB 4.41Å; F149-Q152 WeakPolarHBondContact O-CB 3.25Å; F149-Q152 PolarHBondContact O-N 2.82Å; Q152-K154 VanDerWaalsContact C-N 3.3Å; Q152-K154 PolarHBondContact O-N 3.17Å; Q152-M155 PolarHBondContact O-N 3.21Å; Q152-L156 WeakPolarHBondContact O-CG 3.34Å; Q152-L156 PolarHBondContact O-N 3.32Å; Q152-Y287 HydrophobicContact CG-CE1 4.16Å; Q152-Y287 PolarHBondContact NE2-OH 3.41Å; Q152-M301 HydrophobicContact CB-CE 3.83Å; Q152-M301 HydrophobicContact CB-SD 4.22Å; Q152-M301 HydrophobicContact CG-CE 4.26Å; Q152-M301 HydrophobicContact CG-SD 4.03Å; Q152-M301 WeakPolarHBondContact O-CE 3.34Å |
| 153 | K | 96.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 10% | 0.1 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -38 | 174.8 | -74.5 | -178.5 | 68.7 | 166.4 | 0 | 112.1 | F149 E151 K157 R440 R442 I444 | F149-K153 HydrophobicContact CD1-CD 4.27Å; F149-K153 HydrophobicContact CD2-CD 4.39Å; F149-K153 HydrophobicContact CD2-CG 4.01Å; F149-K153 HydrophobicContact CE1-CD 3.86Å; F149-K153 HydrophobicContact CE1-CG 4.43Å; F149-K153 HydrophobicContact CE2-CD 3.97Å; F149-K153 HydrophobicContact CE2-CG 3.63Å; F149-K153 HydrophobicContact CZ-CD 3.7Å; F149-K153 HydrophobicContact CZ-CG 3.88Å; F149-K153 WeakPolarHBondContact O-CG 3.38Å; F149-K153 PolarHBondContact O-N 2.85Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.2Å; K153-K157 VanDerWaalsContact O-CB 3.29Å; K153-K157 WeakPolarHBondContact O-CB 3.5Å; K153-K157 PolarHBondContact O-N 3.44Å; K153-R440 PolarHBondContact NZ-O 3.2Å; K153-R442 PolarHBondContact NZ-O 2.8Å; K153-I444 HydrophobicContact CB-CG2 4.4Å |
| 154 | K | 95.8 | Very high | 94.8 | Very high | 146 Ų | 146 | 48.7 Ų | 48.7 | 64% | 0.635 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 176.7 | -173.7 | -176.7 | 175.2 | -170.8 | 0 | 110.8 | L150 E151 Q152 K157 T158 | L150-K154 WeakPolarHBondContact O-CB 3.5Å; L150-K154 PolarHBondContact O-N 3.36Å; E151-K154 WeakPolarHBondContact O-CA 3.4Å; E151-K154 WeakPolarHBondContact O-CB 3.48Å; E151-K154 PolarHBondContact O-N 3.28Å; Q152-K154 VanDerWaalsContact C-N 3.3Å; Q152-K154 PolarHBondContact O-N 3.17Å; K154-K157 PolarHBondContact O-N 2.8Å; K154-T158 PolarHBondContact O-N 3.48Å; K154-T158 VanDerWaalsContact O-N 3.09Å |
| 155 | M | 95.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 176.6 | -62.3 | 163.1 | 178.4 | 0 | 0 | 112.1 | E151 Q152 K157 T158 L282 A285 T286 Y287 L293 M301 | E151-M155 WeakPolarHBondContact O-CG 3.41Å; E151-M155 PolarHBondContact O-N 2.74Å; Q152-M155 PolarHBondContact O-N 3.21Å; M155-K157 VanDerWaalsContact C-N 3.31Å; M155-K157 PolarHBondContact O-N 3.47Å; M155-T158 PolarHBondContact O-N 3.46Å; M155-T158 PolarHBondContact O-OG1 3.05Å; M155-L282 HydrophobicContact CB-CD2 4.32Å; M155-A285 HydrophobicContact CB-CB 4.3Å; M155-A285 HydrophobicContact CE-CB 4.41Å; M155-A285 HydrophobicContact CG-CB 3.92Å; M155-A285 HydrophobicContact SD-CB 3.99Å; M155-T286 VanDerWaalsContact CE-C 3.46Å; M155-T286 VanDerWaalsContact CE-O 3.25Å; M155-T286 WeakPolarHBondContact CE-O 3.31Å; M155-Y287 HydrophobicContact CE-CD1 3.68Å; M155-Y287 HydrophobicContact CE-CD2 4.44Å; M155-Y287 HydrophobicContact CE-CE1 4Å; M155-Y287 HydrophobicContact CE-CG 3.93Å; M155-L293 HydrophobicContact SD-CD1 3.92Å; M155-L293 HydrophobicContact SD-CD2 4.02Å; M155-L293 HydrophobicContact SD-CG 4.16Å; M155-M301 HydrophobicContact CB-CE 4.46Å |
| 156 | L | 94.3 | Very high | 94.5 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.1 | -71.1 | 168.7 | 0 | 0 | 0 | 111.4 | Q152 T158 G159 L160 L282 M301 L305 I444 | Q152-L156 WeakPolarHBondContact O-CG 3.34Å; Q152-L156 PolarHBondContact O-N 3.32Å; L156-T158 VanDerWaalsContact C-N 3.31Å; L156-T158 PolarHBondContact O-N 3.47Å; L156-G159 PolarHBondContact O-N 3.24Å; L156-L160 WeakPolarHBondContact O-CG 3.36Å; L156-L160 PolarHBondContact O-N 3.02Å; L156-L282 HydrophobicContact CD2-CD1 4.32Å; L156-L282 HydrophobicContact CD2-CD2 4.13Å; L156-M301 HydrophobicContact CD1-CE 3.94Å; L156-M301 HydrophobicContact CD2-CE 3.94Å; L156-M301 HydrophobicContact CG-CE 3.56Å; L156-L305 HydrophobicContact CD2-CD1 4.44Å; L156-L305 HydrophobicContact CD2-CD2 4.09Å; L156-I444 HydrophobicContact CB-CD1 3.51Å; L156-I444 HydrophobicContact CD1-CD1 4.14Å; L156-I444 HydrophobicContact CG-CD1 4.49Å |
| 157 | K | 93.4 | Very high | 94.3 | Very high | 133 Ų | 133 | 51.7 Ų | 51.7 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.7 | -30.3 | -179.3 | -169.8 | 179.4 | 179.2 | -175.8 | 0 | 112.9 | K153 K154 M155 G159 L160 | K153-K157 VanDerWaalsContact O-CB 3.29Å; K153-K157 WeakPolarHBondContact O-CB 3.5Å; K153-K157 PolarHBondContact O-N 3.44Å; K154-K157 PolarHBondContact O-N 2.8Å; M155-K157 VanDerWaalsContact C-N 3.31Å; M155-K157 PolarHBondContact O-N 3.47Å; K157-G159 VanDerWaalsContact C-N 3.25Å; K157-G159 PolarHBondContact O-N 3.25Å; K157-L160 PolarHBondContact O-N 3.39Å |
| 158 | T | 90 | Very high | 94.2 | Very high | 78 Ų | 78 | 48.6 Ų | 48.6 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.6 | -33.3 | 178.6 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | K154 M155 L156 L160 N161 T281 | K154-T158 PolarHBondContact O-N 3.48Å; K154-T158 VanDerWaalsContact O-N 3.09Å; M155-T158 PolarHBondContact O-N 3.46Å; M155-T158 PolarHBondContact O-OG1 3.05Å; L156-T158 VanDerWaalsContact C-N 3.31Å; L156-T158 PolarHBondContact O-N 3.47Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-N161 PolarHBondContact O-ND2 3.29Å; T158-T281 WeakPolarHBondContact OG1-CG2 3.38Å |
| 159 | G | 86.4 | Confident | 94.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L156 K157 N161 H164 | L156-G159 PolarHBondContact O-N 3.24Å; K157-G159 VanDerWaalsContact C-N 3.25Å; K157-G159 PolarHBondContact O-N 3.25Å; G159-N161 PolarHBondContact O-N 3.48Å; G159-H164 PolarHBondContact O-ND1 3.08Å |
| 160 | L | 91.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -98 | 65.3 | 175.2 | -62.6 | 177.2 | 0 | 0 | 0 | 110.5 | L156 K157 T158 F165 L207 I278 I444 F448 | L156-L160 WeakPolarHBondContact O-CG 3.36Å; L156-L160 PolarHBondContact O-N 3.02Å; K157-L160 PolarHBondContact O-N 3.39Å; T158-L160 VanDerWaalsContact C-N 3.33Å; L160-F165 VanDerWaalsContact C-CZ 3.48Å; L160-F165 HydrophobicContact CB-CE1 4.45Å; L160-F165 HydrophobicContact CB-CZ 4.06Å; L160-F165 HydrophobicContact CD2-CE1 4.39Å; L160-L207 HydrophobicContact CD2-CD2 3.87Å; L160-I278 HydrophobicContact CD2-CD1 4.33Å; L160-I444 HydrophobicContact CD1-CD1 4.4Å; L160-I444 HydrophobicContact CD1-CG1 4.28Å; L160-F448 HydrophobicContact CD2-CB 4.18Å; L160-F448 HydrophobicContact CD2-CG 4.48Å |
| 161 | N | 91.3 | Very high | 94.1 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -122.8 | 168.5 | -173.9 | 72.1 | 58.8 | 0 | 0 | 0 | 112.3 | T158 G159 A163 H164 F165 | T158-N161 PolarHBondContact O-ND2 3.29Å; G159-N161 PolarHBondContact O-N 3.48Å; N161-A163 VanDerWaalsContact C-N 3.31Å; N161-A163 PolarHBondContact O-N 2.86Å; N161-A163 WeakPolarHBondContact OD1-CA 3.41Å; N161-A163 VanDerWaalsContact OD1-CB 3.32Å; N161-A163 WeakPolarHBondContact OD1-CB 3.47Å; N161-A163 PolarHBondContact OD1-N 3Å; N161-H164 PolarHBondContact ND2-CE1 3.45Å; N161-H164 PolarHBondContact ND2-ND1 3.49Å; N161-H164 PolarHBondContact O-N 3.06Å; N161-H164 PolarHBondContact OD1-N 3.41Å; N161-H164 VanDerWaalsContact OD1-N 3.13Å; N161-F165 WeakPolarHBondContact O-CD2 3.45Å; N161-F165 WeakPolarHBondContact O-CG 3.29Å; N161-F165 PolarHBondContact O-N 3.31Å |
| 162 | I | 93.4 | Very high | 94.1 | Very high | 98 Ų | 98 | 48 Ų | 48 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -36.3 | -175.8 | -68.3 | 169.2 | 0 | 0 | 0 | 112.6 | F165 K166 F351 | I162-F165 PolarHBondContact O-N 3.01Å; I162-K166 WeakPolarHBondContact O-CG 3.22Å; I162-K166 PolarHBondContact O-N 2.87Å; I162-F351 HydrophobicContact CB-CE1 4.45Å; I162-F351 HydrophobicContact CG1-CE1 4.27Å; I162-F351 HydrophobicContact CG1-CZ 4.23Å; I162-F351 HydrophobicContact CG2-CD1 4.22Å; I162-F351 HydrophobicContact CG2-CE1 3.67Å; I162-F351 HydrophobicContact CG2-CZ 4.31Å |
| 163 | A | 90.9 | Very high | 94.1 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.3 | -48 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N161 F165 K166 | N161-A163 VanDerWaalsContact C-N 3.31Å; N161-A163 PolarHBondContact O-N 2.86Å; N161-A163 WeakPolarHBondContact OD1-CA 3.41Å; N161-A163 VanDerWaalsContact OD1-CB 3.32Å; N161-A163 WeakPolarHBondContact OD1-CB 3.47Å; N161-A163 PolarHBondContact OD1-N 3Å; A163-F165 PolarHBondContact O-N 3.18Å; A163-K166 PolarHBondContact O-N 3.09Å |
| 164 | H | 91.5 | Very high | 94.2 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 174.2 | -61.2 | 149.6 | 0 | 0 | 0 | 112.5 | G159 N161 K166 E167 H168 D276 | G159-H164 PolarHBondContact O-ND1 3.08Å; N161-H164 PolarHBondContact ND2-CE1 3.45Å; N161-H164 PolarHBondContact ND2-ND1 3.49Å; N161-H164 PolarHBondContact O-N 3.06Å; N161-H164 PolarHBondContact OD1-N 3.41Å; N161-H164 VanDerWaalsContact OD1-N 3.13Å; H164-K166 VanDerWaalsContact C-N 3.27Å; H164-K166 PolarHBondContact O-N 3.28Å; H164-E167 PolarHBondContact O-N 3.39Å; H164-E167 VanDerWaalsContact O-N 3.1Å; H164-H168 PolarHBondContact O-CD2 3.35Å; H164-H168 PolarHBondContact O-N 2.87Å; H164-D276 IonicContact CD2-OD2 3.9Å; H164-D276 PolarHBondContact NE2-O 3.07Å; H164-D276 IonicContact NE2-OD1 3.44Å; H164-D276 PolarHBondContact NE2-OD1 3.33Å; H164-D276 VanDerWaalsContact NE2-OD1 3.14Å; H164-D276 IonicContact NE2-OD2 2.83Å |
| 165 | F | 95.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -33.6 | 178.6 | -62.9 | -31.8 | 0 | 0 | 0 | 113.3 | L160 N161 I162 A163 E167 H168 V169 F351 N447 F448 V451 | L160-F165 VanDerWaalsContact C-CZ 3.48Å; L160-F165 HydrophobicContact CB-CE1 4.45Å; L160-F165 HydrophobicContact CB-CZ 4.06Å; L160-F165 HydrophobicContact CD2-CE1 4.39Å; N161-F165 WeakPolarHBondContact O-CD2 3.45Å; N161-F165 WeakPolarHBondContact O-CG 3.29Å; N161-F165 PolarHBondContact O-N 3.31Å; I162-F165 PolarHBondContact O-N 3.01Å; A163-F165 PolarHBondContact O-N 3.18Å; F165-E167 VanDerWaalsContact C-N 3.32Å; F165-E167 PolarHBondContact O-N 2.93Å; F165-H168 AromaticContact CD1-ND1 3.65Å; F165-H168 PolarHBondContact O-N 3.4Å; F165-V169 WeakPolarHBondContact O-CG2 3.48Å; F165-V169 PolarHBondContact O-N 3.31Å; F165-V169 VanDerWaalsContact O-N 3.15Å; F165-F351 HydrophobicContact CB-CD2 3.68Å; F165-F351 HydrophobicContact CB-CE2 3.44Å; F165-F351 VanDerWaalsContact CB-CE2 3.44Å; F165-F351 HydrophobicContact CB-CZ 4.14Å; F165-F351 HydrophobicContact CD2-CE2 4.06Å; F165-F351 HydrophobicContact CD2-CZ 4.26Å; F165-F351 HydrophobicContact CG-CE2 4.13Å; F165-N447 HydrophobicContact CE2-CB 3.66Å; F165-N447 HydrophobicContact CZ-CB 3.82Å; F165-F448 HydrophobicContact CE1-CB 3.9Å; F165-F448 HydrophobicContact CE1-CD2 4.16Å; F165-F448 HydrophobicContact CZ-CB 4.35Å; F165-V451 HydrophobicContact CB-CG2 4.17Å; F165-V451 HydrophobicContact CD1-CG2 4.4Å; F165-V451 HydrophobicContact CD2-CG2 4.46Å; F165-V451 HydrophobicContact CG-CG2 4.11Å |
| 166 | K | 95.1 | Very high | 94.4 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 173.2 | -73.6 | -176 | 172.2 | -152.3 | 0 | 112.5 | I162 A163 H164 F351 D352 | I162-K166 WeakPolarHBondContact O-CG 3.22Å; I162-K166 PolarHBondContact O-N 2.87Å; A163-K166 PolarHBondContact O-N 3.09Å; H164-K166 VanDerWaalsContact C-N 3.27Å; H164-K166 PolarHBondContact O-N 3.28Å; K166-F351 HydrophobicContact CB-CB 4.45Å; K166-F351 HydrophobicContact CG-CB 3.79Å; K166-F351 HydrophobicContact CG-CD1 4.1Å; K166-F351 HydrophobicContact CG-CG 4.07Å; K166-D352 IonicContact NZ-OD2 2.71Å; K166-D352 PolarHBondContact NZ-OD2 2.88Å |
| 167 | E | 93.2 | Very high | 94.6 | Very high | 99 Ų | 99 | 47.1 Ų | 47.1 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.8 | -34.6 | 175.9 | -65 | -52.6 | 120.9 | 0 | 0 | 112.3 | H164 F165 V169 K170 L171 | H164-E167 PolarHBondContact O-N 3.39Å; H164-E167 VanDerWaalsContact O-N 3.1Å; F165-E167 VanDerWaalsContact C-N 3.32Å; F165-E167 PolarHBondContact O-N 2.93Å; E167-V169 VanDerWaalsContact C-N 3.32Å; E167-V169 PolarHBondContact O-N 3.21Å; E167-K170 PolarHBondContact O-N 3.44Å; E167-K170 IonicContact OE1-NZ 2.72Å; E167-K170 PolarHBondContact OE1-NZ 3.21Å; E167-K170 IonicContact OE2-NZ 3.27Å; E167-K170 PolarHBondContact OE2-NZ 3.24Å; E167-L171 WeakPolarHBondContact O-CG 3.36Å; E167-L171 PolarHBondContact O-N 3.41Å |
| 168 | H | 95.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -40.2 | 177.7 | -65.5 | 174.2 | 0 | 0 | 0 | 112.4 | H164 F165 K170 L171 I172 C206 F448 V451 | H164-H168 PolarHBondContact O-CD2 3.35Å; H164-H168 PolarHBondContact O-N 2.87Å; F165-H168 AromaticContact CD1-ND1 3.65Å; F165-H168 PolarHBondContact O-N 3.4Å; H168-K170 VanDerWaalsContact C-N 3.31Å; H168-K170 PolarHBondContact O-N 2.86Å; H168-L171 PolarHBondContact O-N 3.07Å; H168-I172 HydrophobicContact CB-CD1 4.08Å; H168-I172 WeakPolarHBondContact O-CB 3.49Å; H168-I172 VanDerWaalsContact O-CD1 3.28Å; H168-I172 WeakPolarHBondContact O-CD1 3.42Å; H168-I172 WeakPolarHBondContact O-CG1 3.46Å; H168-I172 PolarHBondContact O-N 3.04Å; H168-C206 HydrophobicContact CB-CB 4.38Å; H168-C206 VanDerWaalsContact CG-SG 3.57Å; H168-C206 PolarHBondContact NE2-O 3.39Å; H168-F448 AromaticContact ND1-CD2 3.78Å; H168-F448 AromaticContact ND1-CE2 3.75Å; H168-V451 HydrophobicContact CB-CG1 4.36Å |
| 169 | V | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.2 | -48.1 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | F165 E167 L171 I172 E173 L349 F351 L354 V451 T455 | F165-V169 WeakPolarHBondContact O-CG2 3.48Å; F165-V169 PolarHBondContact O-N 3.31Å; F165-V169 VanDerWaalsContact O-N 3.15Å; E167-V169 VanDerWaalsContact C-N 3.32Å; E167-V169 PolarHBondContact O-N 3.21Å; V169-L171 PolarHBondContact O-N 3.43Å; V169-I172 PolarHBondContact O-N 2.99Å; V169-E173 WeakPolarHBondContact O-CB 3.4Å; V169-E173 PolarHBondContact O-N 2.91Å; V169-L349 HydrophobicContact CG1-CB 3.71Å; V169-L349 WeakPolarHBondContact CG1-O 3.33Å; V169-F351 HydrophobicContact CG2-CB 4.05Å; V169-F351 HydrophobicContact CG2-CD2 4.28Å; V169-L354 HydrophobicContact CG1-CD1 4.4Å; V169-L354 HydrophobicContact CG2-CD1 3.52Å; V169-L354 HydrophobicContact CG2-CG 4.46Å; V169-V451 HydrophobicContact CG2-CG1 3.96Å; V169-T455 HydrophobicContact CG1-CG2 4.14Å |
| 170 | K | 96.4 | Very high | 95.7 | Very high | 105 Ų | 105 | 42.9 Ų | 42.9 | 46% | 0.457 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 179.5 | -57.4 | 172.2 | -171.3 | 162.1 | 0 | 111.9 | E167 H168 S174 | E167-K170 PolarHBondContact O-N 3.44Å; E167-K170 IonicContact OE1-NZ 2.72Å; E167-K170 PolarHBondContact OE1-NZ 3.21Å; E167-K170 IonicContact OE2-NZ 3.27Å; E167-K170 PolarHBondContact OE2-NZ 3.24Å; H168-K170 VanDerWaalsContact C-N 3.31Å; H168-K170 PolarHBondContact O-N 2.86Å; K170-S174 WeakPolarHBondContact O-CB 3.16Å; K170-S174 PolarHBondContact O-N 2.73Å; K170-S174 VanDerWaalsContact O-N 3.08Å |
| 171 | L | 95.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 179 | -66.6 | 173.9 | 0 | 0 | 0 | 111.4 | E167 H168 V169 S174 E175 | E167-L171 WeakPolarHBondContact O-CG 3.36Å; E167-L171 PolarHBondContact O-N 3.41Å; H168-L171 PolarHBondContact O-N 3.07Å; V169-L171 PolarHBondContact O-N 3.43Å; L171-S174 PolarHBondContact O-N 3.28Å; L171-E175 WeakPolarHBondContact O-CB 3.49Å; L171-E175 WeakPolarHBondContact O-CG 3.4Å; L171-E175 PolarHBondContact O-N 2.68Å |
| 172 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -44.9 | -179.1 | -65.5 | 156.1 | 0 | 0 | 0 | 110.6 | H168 V169 T176 T202 V451 Q452 T455 I456 | H168-I172 HydrophobicContact CB-CD1 4.08Å; H168-I172 WeakPolarHBondContact O-CB 3.49Å; H168-I172 VanDerWaalsContact O-CD1 3.28Å; H168-I172 WeakPolarHBondContact O-CD1 3.42Å; H168-I172 WeakPolarHBondContact O-CG1 3.46Å; H168-I172 PolarHBondContact O-N 3.04Å; V169-I172 PolarHBondContact O-N 2.99Å; I172-T176 VanDerWaalsContact O-CB 3.29Å; I172-T176 WeakPolarHBondContact O-CB 3.4Å; I172-T176 PolarHBondContact O-N 3.37Å; I172-T176 PolarHBondContact O-OG1 3.27Å; I172-T202 HydrophobicContact CB-CG2 4.39Å; I172-T202 HydrophobicContact CG1-CG2 4.37Å; I172-T202 HydrophobicContact CG2-CG2 4.07Å; I172-V451 HydrophobicContact CD1-CG1 4.16Å; I172-Q452 HydrophobicContact CD1-CB 4.24Å; I172-Q452 HydrophobicContact CD1-CG 4.41Å; I172-T455 HydrophobicContact CB-CG2 3.81Å; I172-T455 HydrophobicContact CG2-CG2 3.63Å; I172-I456 HydrophobicContact CG2-CD1 4.36Å; I172-I456 HydrophobicContact CG2-CG1 3.6Å |
| 173 | E | 98.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 177.6 | 179.9 | 174.5 | -128.7 | 0 | 0 | 110.8 | V169 T176 V177 L349 T455 | V169-E173 WeakPolarHBondContact O-CB 3.4Å; V169-E173 PolarHBondContact O-N 2.91Å; E173-T176 PolarHBondContact O-N 3.44Å; E173-V177 WeakPolarHBondContact O-CG2 3.44Å; E173-V177 PolarHBondContact O-N 3.12Å; E173-L349 HydrophobicContact CG-CD1 4.46Å; E173-L349 WeakPolarHBondContact OE1-CG 3.42Å; E173-L349 PolarHBondContact OE1-N 3.32Å; E173-L349 VanDerWaalsContact OE1-N 3.11Å; E173-L349 PolarHBondContact OE2-N 2.93Å; E173-L349 VanDerWaalsContact OE2-N 3.08Å; E173-T455 HydrophobicContact CB-CG2 4.03Å |
| 174 | S | 97.9 | Very high | 96.7 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 55% | 0.545 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 179.3 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | K170 L171 T176 V177 E178 | K170-S174 WeakPolarHBondContact O-CB 3.16Å; K170-S174 PolarHBondContact O-N 2.73Å; K170-S174 VanDerWaalsContact O-N 3.08Å; L171-S174 PolarHBondContact O-N 3.28Å; S174-T176 VanDerWaalsContact C-N 3.3Å; S174-T176 PolarHBondContact O-N 2.97Å; S174-V177 PolarHBondContact O-N 3.08Å; S174-E178 WeakPolarHBondContact O-CB 3.43Å; S174-E178 PolarHBondContact O-N 2.99Å |
| 175 | E | 97.4 | Very high | 96.9 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 15% | 0.15 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 177.3 | -68.2 | -86.6 | -163.6 | 0 | 0 | 111.5 | L171 Y179 L198 T202 S205 R213 | L171-E175 WeakPolarHBondContact O-CB 3.49Å; L171-E175 WeakPolarHBondContact O-CG 3.4Å; L171-E175 PolarHBondContact O-N 2.68Å; E175-Y179 WeakPolarHBondContact O-CB 3.48Å; E175-Y179 PolarHBondContact O-N 3.44Å; E175-L198 HydrophobicContact CB-CD1 4.2Å; E175-T202 HydrophobicContact CB-CG2 3.75Å; E175-T202 HydrophobicContact CG-CG2 4.4Å; E175-S205 PolarHBondContact OE1-OG 2.97Å; E175-R213 VanDerWaalsContact CD-NH2 3.34Å; E175-R213 IonicContact OE1-CZ 3.66Å; E175-R213 VanDerWaalsContact OE1-CZ 3.32Å; E175-R213 IonicContact OE1-NE 2.75Å; E175-R213 PolarHBondContact OE1-NE 2.96Å; E175-R213 IonicContact OE1-NH2 3.44Å; E175-R213 PolarHBondContact OE1-NH2 3.05Å; E175-R213 VanDerWaalsContact OE1-NH2 3.08Å; E175-R213 IonicContact OE2-CZ 3.6Å; E175-R213 IonicContact OE2-NE 2.84Å; E175-R213 IonicContact OE2-NH2 3.66Å; E175-R213 PolarHBondContact OE2-NH2 3.3Å |
| 176 | T | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 178.3 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | I172 E173 S174 F180 L198 I456 T459 L460 | I172-T176 VanDerWaalsContact O-CB 3.29Å; I172-T176 WeakPolarHBondContact O-CB 3.4Å; I172-T176 PolarHBondContact O-N 3.37Å; I172-T176 PolarHBondContact O-OG1 3.27Å; E173-T176 PolarHBondContact O-N 3.44Å; S174-T176 VanDerWaalsContact C-N 3.3Å; S174-T176 PolarHBondContact O-N 2.97Å; T176-F180 HydrophobicContact CG2-CD2 3.96Å; T176-F180 HydrophobicContact CG2-CE2 4.35Å; T176-F180 WeakPolarHBondContact O-CB 3.38Å; T176-F180 WeakPolarHBondContact O-CD2 3.48Å; T176-F180 PolarHBondContact O-N 3.05Å; T176-L198 HydrophobicContact CG2-CD2 3.84Å; T176-I456 HydrophobicContact CG2-CG2 4.43Å; T176-T459 HydrophobicContact CG2-CG2 3.7Å; T176-L460 HydrophobicContact CG2-CD2 4.32Å; T176-L460 HydrophobicContact CG2-CG 4.37Å |
| 177 | V | 98.2 | Very high | 97.2 | Very high | 50 Ų | 50 | 54 Ų | 54 | 30% | 0.303 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 177 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | E173 S174 Y179 F180 R181 T459 | E173-V177 WeakPolarHBondContact O-CG2 3.44Å; E173-V177 PolarHBondContact O-N 3.12Å; S174-V177 PolarHBondContact O-N 3.08Å; V177-Y179 PolarHBondContact O-N 3.18Å; V177-F180 PolarHBondContact O-N 2.72Å; V177-R181 WeakPolarHBondContact O-CG 3.29Å; V177-R181 PolarHBondContact O-N 3.14Å; V177-T459 HydrophobicContact CG2-CG2 3.65Å |
| 178 | E | 97.5 | Very high | 97.5 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | -178.9 | -171 | 61.3 | -129.6 | 0 | 0 | 111.4 | S174 F180 R181 | S174-E178 WeakPolarHBondContact O-CB 3.43Å; S174-E178 PolarHBondContact O-N 2.99Å; E178-F180 VanDerWaalsContact C-N 3.34Å; E178-F180 PolarHBondContact O-N 3.24Å; E178-R181 WeakPolarHBondContact O-CB 3.39Å; E178-R181 PolarHBondContact O-N 3.07Å; E178-R181 IonicContact OE1-CZ 3.45Å; E178-R181 IonicContact OE1-NH1 3.1Å; E178-R181 PolarHBondContact OE1-NH1 2.78Å; E178-R181 VanDerWaalsContact OE1-NH1 3.07Å; E178-R181 IonicContact OE2-CZ 3.44Å; E178-R181 IonicContact OE2-NE 2.98Å; E178-R181 IonicContact OE2-NH1 2.8Å; E178-R181 PolarHBondContact OE2-NH1 3.17Å; E178-R181 IonicContact OE2-NH2 3.59Å |
| 179 | Y | 97.3 | Very high | 97.6 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | -178.9 | -177.9 | -88.1 | 0 | 0 | 0 | 112 | E175 V177 R181 R182 A194 E197 L198 L201 | E175-Y179 WeakPolarHBondContact O-CB 3.48Å; E175-Y179 PolarHBondContact O-N 3.44Å; V177-Y179 PolarHBondContact O-N 3.18Å; Y179-R181 VanDerWaalsContact C-N 3.31Å; Y179-R181 PolarHBondContact O-N 2.86Å; Y179-R182 VanDerWaalsContact CE2-CZ 3.47Å; Y179-R182 VanDerWaalsContact O-CD 3.23Å; Y179-R182 WeakPolarHBondContact O-CD 3.19Å; Y179-R182 WeakPolarHBondContact O-CG 3.25Å; Y179-R182 PolarHBondContact OH-NH2 3.21Å; Y179-A194 HydrophobicContact CE1-CB 4.05Å; Y179-A194 WeakPolarHBondContact CE1-O 3.13Å; Y179-A194 VanDerWaalsContact CZ-O 3.28Å; Y179-A194 WeakPolarHBondContact OH-CA 3.48Å; Y179-A194 PolarHBondContact OH-O 3.14Å; Y179-E197 HydrophobicContact CE2-CB 3.7Å; Y179-E197 WeakPolarHBondContact CE2-OE2 3.13Å; Y179-E197 WeakPolarHBondContact OH-CB 3.42Å; Y179-E197 PolarHBondContact OH-OE2 3.26Å; Y179-L198 HydrophobicContact CD1-CB 4.15Å; Y179-L198 HydrophobicContact CD2-CB 4.43Å; Y179-L198 HydrophobicContact CE1-CB 4.28Å; Y179-L198 HydrophobicContact CG-CB 4.22Å; Y179-L198 HydrophobicContact CG-CD1 4.2Å; Y179-L201 HydrophobicContact CD2-CD1 4.24Å |
| 180 | F | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -81.7 | -1 | -176.6 | -82.8 | -84.1 | 0 | 0 | 0 | 114.5 | T176 V177 E178 R182 W183 L198 L460 L463 Y464 | T176-F180 HydrophobicContact CG2-CD2 3.96Å; T176-F180 HydrophobicContact CG2-CE2 4.35Å; T176-F180 WeakPolarHBondContact O-CB 3.38Å; T176-F180 WeakPolarHBondContact O-CD2 3.48Å; T176-F180 PolarHBondContact O-N 3.05Å; V177-F180 PolarHBondContact O-N 2.72Å; E178-F180 VanDerWaalsContact C-N 3.34Å; E178-F180 PolarHBondContact O-N 3.24Å; F180-R182 PolarHBondContact O-N 2.83Å; F180-W183 HydrophobicContact CD1-CB 4.35Å; F180-W183 AromaticContact CD1-CD2 3.51Å; F180-W183 HydrophobicContact CD1-CD2 3.51Å; F180-W183 AromaticContact CD1-CE2 3.83Å; F180-W183 AromaticContact CD1-CE3 3.85Å; F180-W183 HydrophobicContact CD1-CE3 3.85Å; F180-W183 AromaticContact CD1-CG 3.73Å; F180-W183 HydrophobicContact CD1-CG 3.73Å; F180-W183 HydrophobicContact CD1-CZ2 4.45Å; F180-W183 HydrophobicContact CD1-CZ3 4.45Å; F180-W183 AromaticContact CE1-CD2 3.55Å; F180-W183 HydrophobicContact CE1-CD2 3.55Å; F180-W183 AromaticContact CE1-CE2 3.46Å; F180-W183 VanDerWaalsContact CE1-CE2 3.46Å; F180-W183 AromaticContact CE1-CE3 3.73Å; F180-W183 HydrophobicContact CE1-CE3 3.73Å; F180-W183 HydrophobicContact CE1-CG 4.21Å; F180-W183 AromaticContact CE1-CH2 3.86Å; F180-W183 HydrophobicContact CE1-CH2 3.86Å; F180-W183 AromaticContact CE1-CZ2 3.65Å; F180-W183 HydrophobicContact CE1-CZ2 3.65Å; F180-W183 AromaticContact CE1-CZ3 3.88Å; F180-W183 HydrophobicContact CE1-CZ3 3.88Å; F180-W183 AromaticContact CE1-NE1 3.98Å; F180-W183 HydrophobicContact CZ-CZ2 4.44Å; F180-W183 WeakPolarHBondContact O-CB 3.2Å; F180-W183 PolarHBondContact O-N 2.96Å; F180-L198 HydrophobicContact CD2-CD2 4.22Å; F180-L198 HydrophobicContact CE2-CD2 3.68Å; F180-L460 HydrophobicContact CD1-CD2 3.9Å; F180-L460 HydrophobicContact CD2-CD2 3.6Å; F180-L460 HydrophobicContact CE1-CD2 3.85Å; F180-L460 HydrophobicContact CE2-CD1 4.3Å; F180-L460 HydrophobicContact CE2-CD2 3.57Å; F180-L460 HydrophobicContact CE2-CG 4.37Å; F180-L460 HydrophobicContact CG-CD2 3.78Å; F180-L460 HydrophobicContact CZ-CD1 4.19Å; F180-L460 HydrophobicContact CZ-CD2 3.7Å; F180-L463 HydrophobicContact CB-CD1 4.23Å; F180-Y464 HydrophobicContact CB-CE2 4.1Å; F180-Y464 HydrophobicContact CD1-CE2 4.03Å; F180-Y464 HydrophobicContact CG-CE2 4.39Å; F180-Y464 PolarHBondContact O-OH 3.11Å |
| 181 | R | 96.4 | Very high | 97.7 | Very high | 154 Ų | 154 | 55.8 Ų | 55.8 | 58% | 0.581 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -58.3 | -36.1 | 167.3 | -75.4 | 176.4 | -177.3 | 164 | 7.4 | 112.1 | V177 E178 Y179 W183 G184 | V177-R181 WeakPolarHBondContact O-CG 3.29Å; V177-R181 PolarHBondContact O-N 3.14Å; E178-R181 WeakPolarHBondContact O-CB 3.39Å; E178-R181 PolarHBondContact O-N 3.07Å; E178-R181 IonicContact OE1-CZ 3.45Å; E178-R181 IonicContact OE1-NH1 3.1Å; E178-R181 PolarHBondContact OE1-NH1 2.78Å; E178-R181 VanDerWaalsContact OE1-NH1 3.07Å; E178-R181 IonicContact OE2-CZ 3.44Å; E178-R181 IonicContact OE2-NE 2.98Å; E178-R181 IonicContact OE2-NH1 2.8Å; E178-R181 PolarHBondContact OE2-NH1 3.17Å; E178-R181 IonicContact OE2-NH2 3.59Å; Y179-R181 VanDerWaalsContact C-N 3.31Å; Y179-R181 PolarHBondContact O-N 2.86Å; R181-W183 PolarHBondContact O-N 2.81Å; R181-W183 VanDerWaalsContact O-N 3.15Å; R181-G184 PolarHBondContact O-N 3.45Å; R181-G184 VanDerWaalsContact O-N 3.14Å |
| 182 | R | 96.2 | Very high | 97.8 | Very high | 141 Ų | 141 | 54.9 Ų | 54.9 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -66.7 | -13.1 | -179.8 | 80.9 | -160.9 | -170.6 | 149.7 | 22.5 | 113.9 | Y179 F180 E197 | Y179-R182 VanDerWaalsContact CE2-CZ 3.47Å; Y179-R182 VanDerWaalsContact O-CD 3.23Å; Y179-R182 WeakPolarHBondContact O-CD 3.19Å; Y179-R182 WeakPolarHBondContact O-CG 3.25Å; Y179-R182 PolarHBondContact OH-NH2 3.21Å; F180-R182 PolarHBondContact O-N 2.83Å; R182-E197 IonicContact CZ-OE2 3.7Å; R182-E197 VanDerWaalsContact CZ-OE2 3.27Å; R182-E197 IonicContact NH1-OE2 2.93Å; R182-E197 PolarHBondContact NH1-OE2 2.62Å; R182-E197 IonicContact NH2-OE2 3.65Å; R182-E197 PolarHBondContact NH2-OE2 3.35Å |
| 183 | W | 97.4 | Very high | 97.7 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -80.7 | -15.8 | 176 | -80 | 37 | 0 | 0 | 0 | 112.3 | F180 R181 R189 L191 A194 F466 I490 Y492 | F180-W183 HydrophobicContact CD1-CB 4.35Å; F180-W183 AromaticContact CD1-CD2 3.51Å; F180-W183 HydrophobicContact CD1-CD2 3.51Å; F180-W183 AromaticContact CD1-CE2 3.83Å; F180-W183 AromaticContact CD1-CE3 3.85Å; F180-W183 HydrophobicContact CD1-CE3 3.85Å; F180-W183 AromaticContact CD1-CG 3.73Å; F180-W183 HydrophobicContact CD1-CG 3.73Å; F180-W183 HydrophobicContact CD1-CZ2 4.45Å; F180-W183 HydrophobicContact CD1-CZ3 4.45Å; F180-W183 AromaticContact CE1-CD2 3.55Å; F180-W183 HydrophobicContact CE1-CD2 3.55Å; F180-W183 AromaticContact CE1-CE2 3.46Å; F180-W183 VanDerWaalsContact CE1-CE2 3.46Å; F180-W183 AromaticContact CE1-CE3 3.73Å; F180-W183 HydrophobicContact CE1-CE3 3.73Å; F180-W183 HydrophobicContact CE1-CG 4.21Å; F180-W183 AromaticContact CE1-CH2 3.86Å; F180-W183 HydrophobicContact CE1-CH2 3.86Å; F180-W183 AromaticContact CE1-CZ2 3.65Å; F180-W183 HydrophobicContact CE1-CZ2 3.65Å; F180-W183 AromaticContact CE1-CZ3 3.88Å; F180-W183 HydrophobicContact CE1-CZ3 3.88Å; F180-W183 AromaticContact CE1-NE1 3.98Å; F180-W183 HydrophobicContact CZ-CZ2 4.44Å; F180-W183 WeakPolarHBondContact O-CB 3.2Å; F180-W183 PolarHBondContact O-N 2.96Å; R181-W183 PolarHBondContact O-N 2.81Å; R181-W183 VanDerWaalsContact O-N 3.15Å; W183-R189 HydrophobicContact CD2-CB 4.49Å; W183-R189 HydrophobicContact CD2-CG 4.37Å; W183-R189 HydrophobicContact CH2-CB 3.81Å; W183-R189 HydrophobicContact CZ2-CB 3.62Å; W183-R189 HydrophobicContact CZ2-CG 4.32Å; W183-R189 HydrophobicContact CZ3-CB 4.32Å; W183-L191 HydrophobicContact CH2-CD1 3.96Å; W183-A194 HydrophobicContact CH2-CB 4.44Å; W183-A194 HydrophobicContact CZ2-CB 3.48Å; W183-A194 VanDerWaalsContact CZ2-CB 3.48Å; W183-F466 HydrophobicContact CZ3-CE1 4.16Å; W183-I490 HydrophobicContact CH2-CG2 4.22Å; W183-I490 HydrophobicContact CZ3-CG2 4.31Å; W183-Y492 HydrophobicContact CB-CE2 3.73Å; W183-Y492 HydrophobicContact CD2-CD1 4.43Å; W183-Y492 AromaticContact CD2-CE1 4Å; W183-Y492 HydrophobicContact CD2-CE1 4Å; W183-Y492 HydrophobicContact CD2-CE2 4.36Å; W183-Y492 AromaticContact CD2-CZ 3.96Å; W183-Y492 AromaticContact CE3-CD1 3.37Å; W183-Y492 HydrophobicContact CE3-CD1 3.37Å; W183-Y492 AromaticContact CE3-CD2 3.81Å; W183-Y492 HydrophobicContact CE3-CD2 3.81Å; W183-Y492 AromaticContact CE3-CE1 3.34Å; W183-Y492 HydrophobicContact CE3-CE1 3.34Å; W183-Y492 AromaticContact CE3-CE2 3.79Å; W183-Y492 HydrophobicContact CE3-CE2 3.79Å; W183-Y492 AromaticContact CE3-CG 3.61Å; W183-Y492 HydrophobicContact CE3-CG 3.61Å; W183-Y492 AromaticContact CE3-CZ 3.56Å; W183-Y492 HydrophobicContact CG-CE2 4.41Å; W183-Y492 HydrophobicContact CH2-CD1 4.46Å; W183-Y492 AromaticContact CZ3-CD1 3.39Å; W183-Y492 HydrophobicContact CZ3-CD1 3.39Å; W183-Y492 HydrophobicContact CZ3-CD2 4.46Å; W183-Y492 AromaticContact CZ3-CE1 3.71Å; W183-Y492 HydrophobicContact CZ3-CE1 3.71Å; W183-Y492 AromaticContact CZ3-CG 3.81Å; W183-Y492 HydrophobicContact CZ3-CG 3.81Å; W183-Y492 VanDerWaalsContact O-CE2 3.26Å; W183-Y492 WeakPolarHBondContact O-CE2 3.33Å; W183-Y492 VanDerWaalsContact O-CZ 3.31Å; W183-Y492 PolarHBondContact O-OH 3.45Å |
| 184 | G | 97.2 | Very high | 97.6 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | trans | 66.7 | -141.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R181 Y464 R494 | R181-G184 PolarHBondContact O-N 3.45Å; R181-G184 VanDerWaalsContact O-N 3.14Å; G184-Y464 PolarHBondContact O-OH 2.85Å; G184-R494 PolarHBondContact O-NH2 2.9Å | ||
| 185 | D | 97.6 | Very high | 97.7 | Very high | 106 Ų | 106 | 55.4 Ų | 55.4 | 57% | 0.567 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -100.6 | -26.9 | -173.4 | -68.3 | -23.1 | 0 | 0 | 0 | 114.3 | K493 R494 | D185-K493 CarbonylContact O-C 3.43Å; D185-K493 WeakPolarHBondContact O-CA 3.44Å; D185-R494 HydrophobicContact CB-CB 4.49Å; D185-R494 PolarHBondContact O-N 2.75Å; D185-R494 IonicContact OD1-CZ 3.44Å; D185-R494 IonicContact OD1-NE 2.77Å; D185-R494 PolarHBondContact OD1-NE 2.72Å; D185-R494 IonicContact OD1-NH2 3.13Å; D185-R494 PolarHBondContact OD1-NH2 3.47Å |
| 186 | S | 98.3 | Very high | 97.5 | Very high | 83 Ų | 83 | 55 Ų | 55 | 58% | 0.58 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 161 | 175 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | Y492 | S186-Y492 CarbonylContact C-O 3.59Å; S186-Y492 WeakPolarHBondContact CA-O 3.34Å; S186-Y492 WeakPolarHBondContact CB-O 3.47Å |
| 187 | G | 98.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | -170.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R491 Y492 | G187-R491 WeakPolarHBondContact O-CA 3.46Å; G187-Y492 PolarHBondContact N-O 3.15Å; G187-Y492 WeakPolarHBondContact O-CD1 3.48Å; G187-Y492 WeakPolarHBondContact O-CE1 3.17Å; G187-Y492 PolarHBondContact O-N 3.4Å |
| 188 | E | 98.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 40% | 0.397 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 123.5 | 173.1 | -63.6 | -174.8 | 177.3 | 0 | 0 | 108.6 | V469 I489 I490 R491 | E188-V469 HydrophobicContact CG-CG2 4.06Å; E188-I489 HydrophobicContact CB-CG2 3.93Å; E188-I490 WeakPolarHBondContact CA-O 3.45Å; E188-R491 HydrophobicContact CG-CB 4.04Å; E188-R491 HydrophobicContact CG-CG 4.18Å; E188-R491 IonicContact OE1-CZ 3.8Å; E188-R491 VanDerWaalsContact OE1-CZ 3.27Å; E188-R491 IonicContact OE1-NE 3.62Å; E188-R491 PolarHBondContact OE1-NE 3.29Å; E188-R491 IonicContact OE1-NH2 3.27Å; E188-R491 PolarHBondContact OE1-NH2 3.43Å |
| 189 | R | 98.3 | Very high | 97.1 | Very high | 140 Ų | 140 | 52 Ų | 52 | 53% | 0.528 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.1 | -174.3 | -67 | -67.2 | -175 | -149 | 2 | 110.7 | W183 L191 I489 I490 Y492 | W183-R189 HydrophobicContact CD2-CB 4.49Å; W183-R189 HydrophobicContact CD2-CG 4.37Å; W183-R189 HydrophobicContact CH2-CB 3.81Å; W183-R189 HydrophobicContact CZ2-CB 3.62Å; W183-R189 HydrophobicContact CZ2-CG 4.32Å; W183-R189 HydrophobicContact CZ3-CB 4.32Å; R189-L191 PolarHBondContact O-N 2.87Å; R189-I489 WeakPolarHBondContact O-CA 3.21Å; R189-I490 PolarHBondContact N-O 3.21Å; R189-I490 VanDerWaalsContact N-O 3.11Å; R189-I490 PolarHBondContact O-N 3.38Å; R189-Y492 HydrophobicContact CB-CE1 4.19Å; R189-Y492 HydrophobicContact CG-CE1 3.73Å |
| 190 | N | 98.5 | Very high | 96.9 | Very high | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 107.4 | 172.4 | -172.1 | -36.6 | 0 | 0 | 0 | 110 | F192 E193 A194 P488 I489 | N190-F192 PolarHBondContact OD1-N 3.21Å; N190-F192 VanDerWaalsContact OD1-N 3.08Å; N190-E193 HydrophobicContact CB-CB 4.1Å; N190-E193 HydrophobicContact CB-CG 4.3Å; N190-E193 WeakPolarHBondContact CB-OE2 3.3Å; N190-E193 VanDerWaalsContact CG-CD 3.42Å; N190-E193 WeakPolarHBondContact ND2-CG 3.43Å; N190-E193 PolarHBondContact ND2-OE1 3.09Å; N190-E193 PolarHBondContact ND2-OE2 2.83Å; N190-E193 PolarHBondContact OD1-N 2.97Å; N190-A194 VanDerWaalsContact O-CB 3.3Å; N190-A194 WeakPolarHBondContact O-CB 3.4Å; N190-A194 PolarHBondContact O-N 3.15Å; N190-P488 CarbonylContact C-O 3.54Å; N190-P488 WeakPolarHBondContact CA-O 3.44Å; N190-P488 WeakPolarHBondContact OD1-CG 3.29Å; N190-I489 HydrophobicContact CB-CD1 3.83Å |
| 191 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.8 | -36.6 | -178 | -177.4 | 61.8 | 0 | 0 | 0 | 111.9 | W183 R189 A194 L195 F322 W457 P488 I490 | W183-L191 HydrophobicContact CH2-CD1 3.96Å; R189-L191 PolarHBondContact O-N 2.87Å; L191-A194 PolarHBondContact O-N 3.46Å; L191-L195 HydrophobicContact CD1-CD1 3.79Å; L191-L195 HydrophobicContact CD1-CG 3.99Å; L191-L195 HydrophobicContact CD2-CD1 4.21Å; L191-L195 HydrophobicContact CG-CD1 3.65Å; L191-L195 HydrophobicContact CG-CG 4.26Å; L191-L195 WeakPolarHBondContact O-CB 3.39Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.26Å; L191-L195 PolarHBondContact O-N 3.37Å; L191-F322 HydrophobicContact CB-CE2 4.47Å; L191-F322 HydrophobicContact CB-CZ 4.47Å; L191-F322 HydrophobicContact CD2-CE2 4.39Å; L191-W457 HydrophobicContact CD2-CH2 4.17Å; L191-W457 HydrophobicContact CD2-CZ2 4.24Å; L191-P488 PolarHBondContact N-O 2.85Å; L191-I490 HydrophobicContact CB-CB 4.18Å; L191-I490 HydrophobicContact CB-CG2 3.73Å; L191-I490 HydrophobicContact CD1-CG2 4.32Å; L191-I490 HydrophobicContact CD2-CB 4.48Å; L191-I490 HydrophobicContact CD2-CD1 3.66Å; L191-I490 HydrophobicContact CD2-CG2 4.23Å; L191-I490 HydrophobicContact CG-CG2 4.29Å |
| 192 | F | 97.8 | Very high | 96.7 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 17% | 0.167 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -48.4 | -178.1 | 174.8 | -119.8 | 0 | 0 | 0 | 111.4 | N190 A194 L195 S196 T315 A318 T484 P485 P488 | N190-F192 PolarHBondContact OD1-N 3.21Å; N190-F192 VanDerWaalsContact OD1-N 3.08Å; F192-A194 VanDerWaalsContact C-N 3.26Å; F192-A194 PolarHBondContact O-N 3Å; F192-L195 PolarHBondContact O-N 3.02Å; F192-S196 WeakPolarHBondContact O-CB 3.34Å; F192-S196 PolarHBondContact O-N 3.07Å; F192-S196 PolarHBondContact O-OG 3.36Å; F192-S196 VanDerWaalsContact O-OG 3.13Å; F192-T315 HydrophobicContact CD2-CG2 4.4Å; F192-T315 HydrophobicContact CE2-CG2 3.48Å; F192-T315 VanDerWaalsContact CE2-CG2 3.48Å; F192-T315 HydrophobicContact CZ-CG2 3.94Å; F192-A318 HydrophobicContact CB-CB 4.03Å; F192-A318 HydrophobicContact CD2-CB 3.95Å; F192-A318 HydrophobicContact CG-CB 4.45Å; F192-T484 HydrophobicContact CE1-CG2 3.78Å; F192-T484 HydrophobicContact CE2-CG2 4.29Å; F192-T484 HydrophobicContact CZ-CG2 3.54Å; F192-P485 HydrophobicContact CB-CG 4.09Å; F192-P485 HydrophobicContact CG-CG 4.26Å; F192-P488 HydrophobicContact CB-CB 3.84Å; F192-P488 HydrophobicContact CB-CG 3.59Å |
| 193 | E | 95.6 | Very high | 96.5 | Very high | 114 Ų | 114 | 39.6 Ų | 39.6 | 53% | 0.533 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.1 | -43.6 | 173.8 | -75.8 | 169.8 | -171 | 0 | 0 | 110.8 | N190 L195 S196 E197 | N190-E193 HydrophobicContact CB-CB 4.1Å; N190-E193 HydrophobicContact CB-CG 4.3Å; N190-E193 WeakPolarHBondContact CB-OE2 3.3Å; N190-E193 VanDerWaalsContact CG-CD 3.42Å; N190-E193 WeakPolarHBondContact ND2-CG 3.43Å; N190-E193 PolarHBondContact ND2-OE1 3.09Å; N190-E193 PolarHBondContact ND2-OE2 2.83Å; N190-E193 PolarHBondContact OD1-N 2.97Å; E193-L195 PolarHBondContact O-N 2.77Å; E193-S196 PolarHBondContact O-N 3.32Å; E193-E197 WeakPolarHBondContact O-CG 3.36Å; E193-E197 PolarHBondContact O-N 3.23Å |
| 194 | A | 97.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y179 W183 N190 L191 F192 E197 L198 | Y179-A194 HydrophobicContact CE1-CB 4.05Å; Y179-A194 WeakPolarHBondContact CE1-O 3.13Å; Y179-A194 VanDerWaalsContact CZ-O 3.28Å; Y179-A194 WeakPolarHBondContact OH-CA 3.48Å; Y179-A194 PolarHBondContact OH-O 3.14Å; W183-A194 HydrophobicContact CH2-CB 4.44Å; W183-A194 HydrophobicContact CZ2-CB 3.48Å; W183-A194 VanDerWaalsContact CZ2-CB 3.48Å; N190-A194 VanDerWaalsContact O-CB 3.3Å; N190-A194 WeakPolarHBondContact O-CB 3.4Å; N190-A194 PolarHBondContact O-N 3.15Å; L191-A194 PolarHBondContact O-N 3.46Å; F192-A194 VanDerWaalsContact C-N 3.26Å; F192-A194 PolarHBondContact O-N 3Å; A194-E197 PolarHBondContact O-N 3.35Å; A194-L198 WeakPolarHBondContact O-CB 3.12Å; A194-L198 PolarHBondContact O-N 3.12Å |
| 195 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.8 | -34 | 176.9 | -71.6 | 168.6 | 0 | 0 | 0 | 111.9 | L191 F192 E193 L198 I199 A318 I456 W457 L460 | L191-L195 HydrophobicContact CD1-CD1 3.79Å; L191-L195 HydrophobicContact CD1-CG 3.99Å; L191-L195 HydrophobicContact CD2-CD1 4.21Å; L191-L195 HydrophobicContact CG-CD1 3.65Å; L191-L195 HydrophobicContact CG-CG 4.26Å; L191-L195 WeakPolarHBondContact O-CB 3.39Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.26Å; L191-L195 PolarHBondContact O-N 3.37Å; F192-L195 PolarHBondContact O-N 3.02Å; E193-L195 PolarHBondContact O-N 2.77Å; L195-L198 PolarHBondContact O-N 3.29Å; L195-I199 HydrophobicContact CB-CD1 4.35Å; L195-I199 WeakPolarHBondContact O-CB 3.27Å; L195-I199 WeakPolarHBondContact O-CD1 3.45Å; L195-I199 WeakPolarHBondContact O-CG1 3.11Å; L195-I199 PolarHBondContact O-N 3.05Å; L195-A318 HydrophobicContact CD1-CB 4.08Å; L195-I456 HydrophobicContact CD2-CG2 3.88Å; L195-W457 HydrophobicContact CD1-CZ2 4.34Å; L195-L460 HydrophobicContact CD2-CD1 4.17Å |
| 196 | S | 94.6 | Very high | 95.8 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 17% | 0.168 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -50.6 | 171.4 | -68.4 | 0 | 0 | 0 | 0 | 110.8 | F192 E193 L198 I199 I200 Q310 | F192-S196 WeakPolarHBondContact O-CB 3.34Å; F192-S196 PolarHBondContact O-N 3.07Å; F192-S196 PolarHBondContact O-OG 3.36Å; F192-S196 VanDerWaalsContact O-OG 3.13Å; E193-S196 PolarHBondContact O-N 3.32Å; S196-L198 PolarHBondContact O-N 3.17Å; S196-I199 PolarHBondContact O-N 2.92Å; S196-I200 PolarHBondContact O-N 3.35Å; S196-Q310 PolarHBondContact O-NE2 3.49Å |
| 197 | E | 93.7 | Very high | 95.4 | Very high | 87 Ų | 87 | 29.6 Ų | 29.6 | 41% | 0.407 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.9 | -41.4 | 176.3 | -73.3 | 175 | -161.6 | 0 | 0 | 112.7 | Y179 R182 E193 A194 I200 L201 | Y179-E197 HydrophobicContact CE2-CB 3.7Å; Y179-E197 WeakPolarHBondContact CE2-OE2 3.13Å; Y179-E197 WeakPolarHBondContact OH-CB 3.42Å; Y179-E197 PolarHBondContact OH-OE2 3.26Å; R182-E197 IonicContact CZ-OE2 3.7Å; R182-E197 VanDerWaalsContact CZ-OE2 3.27Å; R182-E197 IonicContact NH1-OE2 2.93Å; R182-E197 PolarHBondContact NH1-OE2 2.62Å; R182-E197 IonicContact NH2-OE2 3.65Å; R182-E197 PolarHBondContact NH2-OE2 3.35Å; E193-E197 WeakPolarHBondContact O-CG 3.36Å; E193-E197 PolarHBondContact O-N 3.23Å; A194-E197 PolarHBondContact O-N 3.35Å; E197-I200 WeakPolarHBondContact O-CG2 3.23Å; E197-L201 WeakPolarHBondContact O-CG 3.34Å |
| 198 | L | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.8 | -42.6 | 177.2 | 172.6 | 61.8 | 0 | 0 | 0 | 112.1 | E175 T176 Y179 F180 A194 L195 S196 I200 L201 T202 I456 | E175-L198 HydrophobicContact CB-CD1 4.2Å; T176-L198 HydrophobicContact CG2-CD2 3.84Å; Y179-L198 HydrophobicContact CD1-CB 4.15Å; Y179-L198 HydrophobicContact CD2-CB 4.43Å; Y179-L198 HydrophobicContact CE1-CB 4.28Å; Y179-L198 HydrophobicContact CG-CB 4.22Å; Y179-L198 HydrophobicContact CG-CD1 4.2Å; F180-L198 HydrophobicContact CD2-CD2 4.22Å; F180-L198 HydrophobicContact CE2-CD2 3.68Å; A194-L198 WeakPolarHBondContact O-CB 3.12Å; A194-L198 PolarHBondContact O-N 3.12Å; L195-L198 PolarHBondContact O-N 3.29Å; S196-L198 PolarHBondContact O-N 3.17Å; L198-I200 VanDerWaalsContact C-N 3.28Å; L198-I200 PolarHBondContact O-N 3.31Å; L198-L201 WeakPolarHBondContact O-CB 3.46Å; L198-L201 PolarHBondContact O-N 3.39Å; L198-T202 HydrophobicContact CD1-CG2 3.7Å; L198-T202 HydrophobicContact CG-CG2 4.09Å; L198-T202 WeakPolarHBondContact O-CG2 3.07Å; L198-T202 PolarHBondContact O-N 2.84Å; L198-T202 PolarHBondContact O-OG1 3.47Å; L198-I456 HydrophobicContact CD2-CD1 4.26Å; L198-I456 HydrophobicContact CD2-CG1 4.21Å; L198-I456 HydrophobicContact CD2-CG2 4.06Å |
| 199 | I | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.7 | -29.4 | -173 | -72.6 | 166.1 | 0 | 0 | 0 | 111.2 | L195 S196 L201 T202 A203 I456 | L195-I199 HydrophobicContact CB-CD1 4.35Å; L195-I199 WeakPolarHBondContact O-CB 3.27Å; L195-I199 WeakPolarHBondContact O-CD1 3.45Å; L195-I199 WeakPolarHBondContact O-CG1 3.11Å; L195-I199 PolarHBondContact O-N 3.05Å; S196-I199 PolarHBondContact O-N 2.92Å; I199-L201 VanDerWaalsContact C-N 3.3Å; I199-L201 PolarHBondContact O-N 2.82Å; I199-T202 WeakPolarHBondContact CA-OG1 3.44Å; I199-T202 PolarHBondContact O-N 3.3Å; I199-T202 PolarHBondContact O-OG1 3.41Å; I199-A203 WeakPolarHBondContact O-CB 3.43Å; I199-A203 PolarHBondContact O-N 2.99Å; I199-I456 HydrophobicContact CD1-CD1 4.16Å; I199-I456 HydrophobicContact CG1-CD1 3.62Å |
| 200 | I | 92.7 | Very high | 93.5 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 11% | 0.108 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.8 | -36.7 | 176.3 | -170.8 | 171.2 | 0 | 0 | 0 | 110.2 | S196 E197 L198 S204 L216 Y224 L306 | S196-I200 PolarHBondContact O-N 3.35Å; E197-I200 WeakPolarHBondContact O-CG2 3.23Å; L198-I200 VanDerWaalsContact C-N 3.28Å; L198-I200 PolarHBondContact O-N 3.31Å; I200-S204 WeakPolarHBondContact O-CB 3.32Å; I200-S204 PolarHBondContact O-N 3.15Å; I200-L216 HydrophobicContact CG1-CD1 4.4Å; I200-Y224 HydrophobicContact CD1-CD2 3.75Å; I200-Y224 HydrophobicContact CD1-CE2 4.46Å; I200-Y224 HydrophobicContact CD1-CG 4.1Å; I200-L306 HydrophobicContact CD1-CD2 4.46Å; I200-L306 HydrophobicContact CG1-CD1 4.29Å; I200-L306 HydrophobicContact CG1-CD2 4.14Å |
| 201 | L | 93.5 | Very high | 92.9 | Very high | 35 Ų | 35 | 26.9 Ų | 26.9 | 18% | 0.183 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -53.3 | 175 | -56.6 | 176.7 | 0 | 0 | 0 | 110.5 | Y179 E197 L198 I199 A203 S204 S205 L216 | Y179-L201 HydrophobicContact CD2-CD1 4.24Å; E197-L201 WeakPolarHBondContact O-CG 3.34Å; L198-L201 WeakPolarHBondContact O-CB 3.46Å; L198-L201 PolarHBondContact O-N 3.39Å; I199-L201 VanDerWaalsContact C-N 3.3Å; I199-L201 PolarHBondContact O-N 2.82Å; L201-A203 PolarHBondContact O-N 3.23Å; L201-S204 PolarHBondContact O-N 3Å; L201-S205 WeakPolarHBondContact O-CB 3.13Å; L201-S205 PolarHBondContact O-N 3.41Å; L201-S205 PolarHBondContact O-OG 3.17Å; L201-S205 VanDerWaalsContact O-OG 3.05Å; L201-L216 HydrophobicContact CD2-CB 4.45Å; L201-L216 HydrophobicContact CD2-CD1 4.41Å |
| 202 | T | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | -178.1 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | I172 E175 L198 I199 S204 S205 C206 Q452 | I172-T202 HydrophobicContact CB-CG2 4.39Å; I172-T202 HydrophobicContact CG1-CG2 4.37Å; I172-T202 HydrophobicContact CG2-CG2 4.07Å; E175-T202 HydrophobicContact CB-CG2 3.75Å; E175-T202 HydrophobicContact CG-CG2 4.4Å; L198-T202 HydrophobicContact CD1-CG2 3.7Å; L198-T202 HydrophobicContact CG-CG2 4.09Å; L198-T202 WeakPolarHBondContact O-CG2 3.07Å; L198-T202 PolarHBondContact O-N 2.84Å; L198-T202 PolarHBondContact O-OG1 3.47Å; I199-T202 WeakPolarHBondContact CA-OG1 3.44Å; I199-T202 PolarHBondContact O-N 3.3Å; I199-T202 PolarHBondContact O-OG1 3.41Å; T202-S204 VanDerWaalsContact C-N 3.35Å; T202-S204 PolarHBondContact O-N 3.34Å; T202-S205 PolarHBondContact O-N 2.67Å; T202-C206 WeakPolarHBondContact O-CB 3.45Å; T202-C206 PolarHBondContact O-N 2.9Å; T202-C206 PolarHBondContact O-SG 2.87Å; T202-Q452 PolarHBondContact OG1-NE2 2.81Å |
| 203 | A | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | I199 L201 C206 L207 L306 | I199-A203 WeakPolarHBondContact O-CB 3.43Å; I199-A203 PolarHBondContact O-N 2.99Å; L201-A203 PolarHBondContact O-N 3.23Å; A203-C206 PolarHBondContact O-N 3.47Å; A203-L207 HydrophobicContact CB-CD1 4.42Å; A203-L207 WeakPolarHBondContact O-CA 3.32Å; A203-L207 WeakPolarHBondContact O-CB 3.46Å; A203-L207 VanDerWaalsContact O-CG 3.27Å; A203-L207 WeakPolarHBondContact O-CG 3.44Å; A203-L207 PolarHBondContact O-N 3.35Å; A203-L306 HydrophobicContact CB-CD1 3.67Å |
| 204 | S | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.7 | -43.7 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 112.3 | I200 L201 T202 C206 L207 H208 G209 L216 | I200-S204 WeakPolarHBondContact O-CB 3.32Å; I200-S204 PolarHBondContact O-N 3.15Å; L201-S204 PolarHBondContact O-N 3Å; T202-S204 VanDerWaalsContact C-N 3.35Å; T202-S204 PolarHBondContact O-N 3.34Å; S204-C206 VanDerWaalsContact C-N 3.25Å; S204-C206 PolarHBondContact O-N 2.95Å; S204-L207 PolarHBondContact O-N 2.88Å; S204-H208 WeakPolarHBondContact O-CA 3.42Å; S204-H208 WeakPolarHBondContact O-CB 3.44Å; S204-H208 PolarHBondContact O-N 3.49Å; S204-H208 PolarHBondContact OG-ND1 3.46Å; S204-G209 PolarHBondContact O-N 3.26Å; S204-L216 VanDerWaalsContact OG-CD1 3.3Å; S204-L216 WeakPolarHBondContact OG-CD1 3.47Å |
| 205 | S | 91.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.3 | -41.1 | 175.7 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | E175 L201 T202 R213 | E175-S205 PolarHBondContact OE1-OG 2.97Å; L201-S205 WeakPolarHBondContact O-CB 3.13Å; L201-S205 PolarHBondContact O-N 3.41Å; L201-S205 PolarHBondContact O-OG 3.17Å; L201-S205 VanDerWaalsContact O-OG 3.05Å; T202-S205 PolarHBondContact O-N 2.67Å; S205-R213 WeakPolarHBondContact OG-CD 3.37Å; S205-R213 WeakPolarHBondContact OG-CG 3.48Å; S205-R213 PolarHBondContact OG-NE 3.23Å |
| 206 | C | 92.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -83.8 | -41 | -179.3 | -63.5 | 0 | 0 | 0 | 0 | 113.7 | H168 T202 A203 S204 F448 | H168-C206 HydrophobicContact CB-CB 4.38Å; H168-C206 VanDerWaalsContact CG-SG 3.57Å; H168-C206 PolarHBondContact NE2-O 3.39Å; T202-C206 WeakPolarHBondContact O-CB 3.45Å; T202-C206 PolarHBondContact O-N 2.9Å; T202-C206 PolarHBondContact O-SG 2.87Å; A203-C206 PolarHBondContact O-N 3.47Å; S204-C206 VanDerWaalsContact C-N 3.25Å; S204-C206 PolarHBondContact O-N 2.95Å; C206-F448 HydrophobicContact CB-CE2 3.68Å; C206-F448 HydrophobicContact CB-CZ 4.09Å |
| 207 | L | 90.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -103.9 | -16.5 | -165.7 | -55.8 | 178.4 | 0 | 0 | 0 | 114.1 | L160 A203 S204 I278 L305 F448 | L160-L207 HydrophobicContact CD2-CD2 3.87Å; A203-L207 HydrophobicContact CB-CD1 4.42Å; A203-L207 WeakPolarHBondContact O-CA 3.32Å; A203-L207 WeakPolarHBondContact O-CB 3.46Å; A203-L207 VanDerWaalsContact O-CG 3.27Å; A203-L207 WeakPolarHBondContact O-CG 3.44Å; A203-L207 PolarHBondContact O-N 3.35Å; S204-L207 PolarHBondContact O-N 2.88Å; L207-I278 HydrophobicContact CD2-CG1 4.45Å; L207-I278 VanDerWaalsContact O-CB 3.23Å; L207-I278 WeakPolarHBondContact O-CB 3.05Å; L207-I278 VanDerWaalsContact O-CG2 3.24Å; L207-I278 WeakPolarHBondContact O-CG2 3.36Å; L207-L305 HydrophobicContact CB-CD2 3.73Å; L207-L305 HydrophobicContact CB-CG 4.09Å; L207-L305 HydrophobicContact CD1-CD1 4.18Å; L207-L305 HydrophobicContact CD1-CD2 4.3Å; L207-L305 HydrophobicContact CD1-CG 3.82Å; L207-L305 HydrophobicContact CD2-CD2 4.38Å; L207-L305 HydrophobicContact CG-CD2 4.35Å; L207-L305 HydrophobicContact CG-CG 4.41Å; L207-F448 HydrophobicContact CD1-CD1 4.22Å; L207-F448 HydrophobicContact CD1-CE1 3.69Å; L207-F448 HydrophobicContact CD1-CE2 4.43Å; L207-F448 HydrophobicContact CD1-CZ 3.81Å; L207-F448 HydrophobicContact CD2-CD2 3.96Å; L207-F448 HydrophobicContact CD2-CE1 4.38Å; L207-F448 HydrophobicContact CD2-CE2 3.77Å; L207-F448 HydrophobicContact CD2-CG 4.34Å; L207-F448 HydrophobicContact CD2-CZ 3.99Å; L207-F448 HydrophobicContact CG-CE1 4.22Å; L207-F448 HydrophobicContact CG-CE2 4.07Å; L207-F448 HydrophobicContact CG-CZ 3.82Å |
| 208 | H | 88.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -18.6 | -179.8 | -64.3 | 171.9 | 0 | 0 | 0 | 113.6 | S204 I212 F261 L302 L306 | S204-H208 WeakPolarHBondContact O-CA 3.42Å; S204-H208 WeakPolarHBondContact O-CB 3.44Å; S204-H208 PolarHBondContact O-N 3.49Å; S204-H208 PolarHBondContact OG-ND1 3.46Å; H208-I212 HydrophobicContact CB-CB 3.69Å; H208-I212 HydrophobicContact CB-CD1 3.85Å; H208-I212 HydrophobicContact CB-CG1 4.32Å; H208-I212 HydrophobicContact CB-CG2 3.66Å; H208-F261 AromaticContact CE1-CZ 3.92Å; H208-L302 PolarHBondContact NE2-O 2.6Å; H208-L306 VanDerWaalsContact CE1-CB 3.46Å; H208-L306 WeakPolarHBondContact CE1-CB 3.42Å |
| 209 | G | 83.4 | Confident | 88.6 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | trans | 88.2 | 170 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S204 E211 I212 R213 | S204-G209 PolarHBondContact O-N 3.26Å; G209-E211 VanDerWaalsContact C-N 3.31Å; G209-E211 PolarHBondContact O-N 3.32Å; G209-I212 PolarHBondContact O-N 2.75Å; G209-R213 WeakPolarHBondContact O-CB 3.47Å; G209-R213 PolarHBondContact O-N 3.16Å; G209-R213 VanDerWaalsContact O-N 3.08Å | ||
| 210 | K | 84 | Confident | 88.1 | Confident | 162 Ų | 162 | 46.3 Ų | 46.3 | 70% | 0.704 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.3 | -33.2 | -170.4 | -68.2 | -178.9 | -178.7 | 175.6 | 0 | 112.7 | S214 | K210-S214 VanDerWaalsContact O-CB 3.28Å; K210-S214 WeakPolarHBondContact O-CB 3.43Å; K210-S214 PolarHBondContact O-N 2.87Å; K210-S214 PolarHBondContact O-OG 2.87Å |
| 211 | E | 86.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -51 | -178.6 | -60.2 | 95.6 | 135.2 | 0 | 0 | 111.1 | G209 S214 M215 V264 R268 | G209-E211 VanDerWaalsContact C-N 3.31Å; G209-E211 PolarHBondContact O-N 3.32Å; E211-S214 PolarHBondContact O-N 2.71Å; E211-S214 PolarHBondContact O-OG 3.48Å; E211-M215 WeakPolarHBondContact O-CG 3.23Å; E211-M215 PolarHBondContact O-N 2.76Å; E211-V264 HydrophobicContact CB-CG1 3.94Å; E211-R268 IonicContact OE1-CZ 2.62Å; E211-R268 IonicContact OE1-NE 3.32Å; E211-R268 PolarHBondContact OE1-NE 3.47Å; E211-R268 IonicContact OE1-NH2 3.78Å; E211-R268 PolarHBondContact OE1-NH2 3.44Å; E211-R268 IonicContact OE2-NH2 2.78Å; E211-R268 PolarHBondContact OE2-NH2 3.15Å; E211-R268 VanDerWaalsContact OE2-NH2 3.13Å |
| 212 | I | 86.2 | Confident | 87.5 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.2 | -43.4 | 178.5 | -68 | 172.1 | 0 | 0 | 0 | 110.2 | H208 G209 S214 M215 L216 F261 V264 L302 | H208-I212 HydrophobicContact CB-CB 3.69Å; H208-I212 HydrophobicContact CB-CD1 3.85Å; H208-I212 HydrophobicContact CB-CG1 4.32Å; H208-I212 HydrophobicContact CB-CG2 3.66Å; G209-I212 PolarHBondContact O-N 2.75Å; I212-S214 VanDerWaalsContact C-N 3.26Å; I212-S214 PolarHBondContact O-N 3.36Å; I212-M215 WeakPolarHBondContact O-CB 3.48Å; I212-M215 PolarHBondContact O-N 3.1Å; I212-L216 PolarHBondContact O-N 2.85Å; I212-F261 HydrophobicContact CD1-CD1 3.69Å; I212-F261 HydrophobicContact CD1-CE1 3.73Å; I212-F261 HydrophobicContact CG1-CD1 4.12Å; I212-F261 HydrophobicContact CG1-CE1 4.11Å; I212-F261 HydrophobicContact CG2-CD1 4.46Å; I212-F261 HydrophobicContact CG2-CE1 3.66Å; I212-F261 HydrophobicContact CG2-CZ 4.49Å; I212-V264 HydrophobicContact CD1-CG1 4.4Å; I212-V264 HydrophobicContact CG1-CB 4.34Å; I212-V264 HydrophobicContact CG1-CG1 4.04Å; I212-V264 HydrophobicContact CG1-CG2 4.07Å; I212-L302 HydrophobicContact CD1-CD1 4.13Å |
| 213 | R | 89.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 51 Ų | 51 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.9 | -40.5 | 176.2 | 169.8 | 62.6 | -177.3 | 84.8 | 0.5 | 112.6 | E175 S205 G209 M215 L216 | E175-R213 VanDerWaalsContact CD-NH2 3.34Å; E175-R213 IonicContact OE1-CZ 3.66Å; E175-R213 VanDerWaalsContact OE1-CZ 3.32Å; E175-R213 IonicContact OE1-NE 2.75Å; E175-R213 PolarHBondContact OE1-NE 2.96Å; E175-R213 IonicContact OE1-NH2 3.44Å; E175-R213 PolarHBondContact OE1-NH2 3.05Å; E175-R213 VanDerWaalsContact OE1-NH2 3.08Å; E175-R213 IonicContact OE2-CZ 3.6Å; E175-R213 IonicContact OE2-NE 2.84Å; E175-R213 IonicContact OE2-NH2 3.66Å; E175-R213 PolarHBondContact OE2-NH2 3.3Å; S205-R213 WeakPolarHBondContact OG-CD 3.37Å; S205-R213 WeakPolarHBondContact OG-CG 3.48Å; S205-R213 PolarHBondContact OG-NE 3.23Å; G209-R213 WeakPolarHBondContact O-CB 3.47Å; G209-R213 PolarHBondContact O-N 3.16Å; G209-R213 VanDerWaalsContact O-N 3.08Å; R213-M215 PolarHBondContact O-N 3.27Å; R213-L216 WeakPolarHBondContact O-CB 3.49Å; R213-L216 PolarHBondContact O-N 3.2Å; R213-L216 VanDerWaalsContact O-N 3.13Å |
| 214 | S | 87.8 | Confident | 87 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 66% | 0.657 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.1 | -22.2 | 179.2 | 74.3 | 0 | 0 | 0 | 0 | 113.2 | K210 E211 I212 | K210-S214 VanDerWaalsContact O-CB 3.28Å; K210-S214 WeakPolarHBondContact O-CB 3.43Å; K210-S214 PolarHBondContact O-N 2.87Å; K210-S214 PolarHBondContact O-OG 2.87Å; E211-S214 PolarHBondContact O-N 2.71Å; E211-S214 PolarHBondContact O-OG 3.48Å; I212-S214 VanDerWaalsContact C-N 3.26Å; I212-S214 PolarHBondContact O-N 3.36Å |
| 215 | M | 86.3 | Confident | 86.7 | Confident | 71 Ų | 71 | 55 Ų | 55 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -88.1 | -11.3 | 176.6 | -61.2 | 179.1 | 70.7 | 0 | 0 | 112.8 | E211 I212 R213 N217 V220 I260 V264 | E211-M215 WeakPolarHBondContact O-CG 3.23Å; E211-M215 PolarHBondContact O-N 2.76Å; I212-M215 WeakPolarHBondContact O-CB 3.48Å; I212-M215 PolarHBondContact O-N 3.1Å; R213-M215 PolarHBondContact O-N 3.27Å; M215-N217 PolarHBondContact O-N 3.05Å; M215-V220 VanDerWaalsContact O-CG2 3.25Å; M215-V220 WeakPolarHBondContact O-CG2 3.38Å; M215-I260 HydrophobicContact CE-CB 4.31Å; M215-I260 HydrophobicContact CE-CG1 4.16Å; M215-I260 HydrophobicContact CE-CG2 3.5Å; M215-I260 VanDerWaalsContact CE-CG2 3.5Å; M215-I260 HydrophobicContact SD-CG2 3.81Å; M215-V264 HydrophobicContact SD-CG2 3.91Å |
| 216 | L | 84.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | trans | -70.3 | 94.7 | 175.2 | -71.2 | -173.7 | 0 | 0 | 0 | 110.8 | I200 L201 S204 I212 R213 V220 Y224 | I200-L216 HydrophobicContact CG1-CD1 4.4Å; L201-L216 HydrophobicContact CD2-CB 4.45Å; L201-L216 HydrophobicContact CD2-CD1 4.41Å; S204-L216 VanDerWaalsContact OG-CD1 3.3Å; S204-L216 WeakPolarHBondContact OG-CD1 3.47Å; I212-L216 PolarHBondContact O-N 2.85Å; R213-L216 WeakPolarHBondContact O-CB 3.49Å; R213-L216 PolarHBondContact O-N 3.2Å; R213-L216 VanDerWaalsContact O-N 3.13Å; L216-V220 HydrophobicContact CD2-CB 4.18Å; L216-V220 HydrophobicContact CD2-CG1 3.57Å; L216-Y224 HydrophobicContact CD2-CD2 4.39Å; L216-Y224 HydrophobicContact CD2-CE2 3.78Å | ||
| 217 | N | 84.1 | Confident | 86.7 | Confident | 84 Ų | 84 | 55.6 Ų | 55.6 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -115.7 | -177.2 | 168 | 63.6 | 24.3 | 0 | 0 | 0 | 110 | M215 Q219 V220 A221 | M215-N217 PolarHBondContact O-N 3.05Å; N217-Q219 PolarHBondContact O-N 2.79Å; N217-Q219 WeakPolarHBondContact OD1-CA 3.48Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.42Å; N217-Q219 PolarHBondContact OD1-N 3.17Å; N217-V220 PolarHBondContact O-N 3.44Å; N217-V220 VanDerWaalsContact O-N 3.12Å; N217-V220 PolarHBondContact OD1-N 3.48Å; N217-V220 VanDerWaalsContact OD1-N 3.08Å; N217-A221 PolarHBondContact O-N 3.28Å |
| 218 | E | 79.4 | Confident | 86.5 | Confident | 179 Ų | 179 | 57.3 Ų | 57.3 | 84% | 0.836 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.4 | -35.8 | 179.1 | -66.4 | 177.5 | -177.9 | 0 | 0 | 113.1 | A221 Q222 | E218-A221 PolarHBondContact O-N 3.24Å; E218-Q222 PolarHBondContact O-N 2.84Å |
| 219 | Q | 84.2 | Confident | 86.3 | Confident | 150 Ų | 150 | 58.8 Ų | 58.8 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 178.6 | -61.3 | 179 | -15.9 | 0 | 0 | 111 | N217 A221 Q222 L223 | N217-Q219 PolarHBondContact O-N 2.79Å; N217-Q219 WeakPolarHBondContact OD1-CA 3.48Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.42Å; N217-Q219 PolarHBondContact OD1-N 3.17Å; Q219-A221 VanDerWaalsContact C-N 3.35Å; Q219-Q222 WeakPolarHBondContact O-CB 3.38Å; Q219-Q222 PolarHBondContact O-N 2.89Å; Q219-L223 WeakPolarHBondContact O-CG 3.47Å; Q219-L223 PolarHBondContact O-N 3.49Å; Q219-L223 VanDerWaalsContact O-N 3.09Å |
| 220 | V | 85.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | M215 L216 N217 Q222 L223 Y224 I260 | M215-V220 VanDerWaalsContact O-CG2 3.25Å; M215-V220 WeakPolarHBondContact O-CG2 3.38Å; L216-V220 HydrophobicContact CD2-CB 4.18Å; L216-V220 HydrophobicContact CD2-CG1 3.57Å; N217-V220 PolarHBondContact O-N 3.44Å; N217-V220 VanDerWaalsContact O-N 3.12Å; N217-V220 PolarHBondContact OD1-N 3.48Å; N217-V220 VanDerWaalsContact OD1-N 3.08Å; V220-Q222 VanDerWaalsContact C-N 3.31Å; V220-Q222 PolarHBondContact O-N 3.27Å; V220-L223 WeakPolarHBondContact O-CB 3.16Å; V220-L223 PolarHBondContact O-N 2.88Å; V220-L223 VanDerWaalsContact O-N 3.13Å; V220-Y224 HydrophobicContact CG1-CD2 4.09Å; V220-Y224 HydrophobicContact CG1-CE2 3.71Å; V220-Y224 VanDerWaalsContact O-CD2 3.25Å; V220-Y224 WeakPolarHBondContact O-CD2 3.45Å; V220-Y224 PolarHBondContact O-N 2.9Å; V220-Y224 VanDerWaalsContact O-N 3.09Å; V220-I260 HydrophobicContact CG2-CD1 3.93Å |
| 221 | A | 84.5 | Confident | 86.4 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N217 E218 Q219 L223 Y224 T225 | N217-A221 PolarHBondContact O-N 3.28Å; E218-A221 PolarHBondContact O-N 3.24Å; Q219-A221 VanDerWaalsContact C-N 3.35Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 3.01Å; A221-Y224 PolarHBondContact O-N 2.76Å; A221-T225 PolarHBondContact O-N 3.13Å; A221-T225 PolarHBondContact O-OG1 2.96Å; A221-T225 VanDerWaalsContact O-OG1 3.07Å |
| 222 | Q | 87.6 | Confident | 86.2 | Confident | 99 Ų | 99 | 52 Ų | 52 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 173.7 | -173.8 | 59.4 | 56.2 | 0 | 0 | 112.2 | E218 Q219 V220 Y224 T225 D226 | E218-Q222 PolarHBondContact O-N 2.84Å; Q219-Q222 WeakPolarHBondContact O-CB 3.38Å; Q219-Q222 PolarHBondContact O-N 2.89Å; V220-Q222 VanDerWaalsContact C-N 3.31Å; V220-Q222 PolarHBondContact O-N 3.27Å; Q222-Y224 VanDerWaalsContact C-N 3.33Å; Q222-Y224 PolarHBondContact O-N 2.83Å; Q222-T225 WeakPolarHBondContact O-CB 3.37Å; Q222-T225 PolarHBondContact O-N 3.44Å; Q222-D226 PolarHBondContact NE2-OD1 3.2Å; Q222-D226 PolarHBondContact O-N 3.18Å |
| 223 | L | 91.9 | Very high | 85.7 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 174.5 | -61.5 | 176.9 | 0 | 0 | 0 | 111.7 | Q219 V220 A221 D226 L227 A253 E256 I257 | Q219-L223 WeakPolarHBondContact O-CG 3.47Å; Q219-L223 PolarHBondContact O-N 3.49Å; Q219-L223 VanDerWaalsContact O-N 3.09Å; V220-L223 WeakPolarHBondContact O-CB 3.16Å; V220-L223 PolarHBondContact O-N 2.88Å; V220-L223 VanDerWaalsContact O-N 3.13Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 3.01Å; L223-D226 PolarHBondContact O-N 3.03Å; L223-L227 PolarHBondContact O-N 3.38Å; L223-A253 HydrophobicContact CB-CB 4.14Å; L223-A253 HydrophobicContact CD2-CB 4.08Å; L223-A253 VanDerWaalsContact O-CB 3.28Å; L223-A253 WeakPolarHBondContact O-CB 3.28Å; L223-E256 HydrophobicContact CD1-CB 3.84Å; L223-E256 HydrophobicContact CD2-CB 4.27Å; L223-E256 WeakPolarHBondContact CD2-OE2 3.39Å; L223-I257 HydrophobicContact CB-CD1 3.6Å; L223-I257 HydrophobicContact CB-CG1 3.82Å; L223-I257 HydrophobicContact CD1-CG1 4.02Å |
| 224 | Y | 87.8 | Confident | 85.2 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 173.4 | -76.6 | -65.5 | 0 | 0 | 0 | 112.5 | I200 L216 V220 A221 Q222 D226 L227 D228 I257 F261 L306 L307 | I200-Y224 HydrophobicContact CD1-CD2 3.75Å; I200-Y224 HydrophobicContact CD1-CE2 4.46Å; I200-Y224 HydrophobicContact CD1-CG 4.1Å; L216-Y224 HydrophobicContact CD2-CD2 4.39Å; L216-Y224 HydrophobicContact CD2-CE2 3.78Å; V220-Y224 HydrophobicContact CG1-CD2 4.09Å; V220-Y224 HydrophobicContact CG1-CE2 3.71Å; V220-Y224 VanDerWaalsContact O-CD2 3.25Å; V220-Y224 WeakPolarHBondContact O-CD2 3.45Å; V220-Y224 PolarHBondContact O-N 2.9Å; V220-Y224 VanDerWaalsContact O-N 3.09Å; A221-Y224 PolarHBondContact O-N 2.76Å; Q222-Y224 VanDerWaalsContact C-N 3.33Å; Q222-Y224 PolarHBondContact O-N 2.83Å; Y224-D226 VanDerWaalsContact C-N 3.3Å; Y224-D226 PolarHBondContact O-N 2.91Å; Y224-L227 HydrophobicContact CD1-CD1 4.17Å; Y224-L227 HydrophobicContact CE1-CD1 4.4Å; Y224-L227 WeakPolarHBondContact O-CB 3.21Å; Y224-L227 PolarHBondContact O-N 3.5Å; Y224-D228 VanDerWaalsContact O-CG 3.28Å; Y224-D228 PolarHBondContact O-N 3.13Å; Y224-I257 HydrophobicContact CD1-CD1 3.89Å; Y224-I257 HydrophobicContact CD2-CD1 4.42Å; Y224-I257 HydrophobicContact CE1-CD1 3.78Å; Y224-I257 HydrophobicContact CE1-CG2 4.5Å; Y224-I257 HydrophobicContact CE2-CD1 4.37Å; Y224-I257 HydrophobicContact CG-CD1 4.19Å; Y224-F261 WeakPolarHBondContact OH-CZ 3.23Å; Y224-L306 HydrophobicContact CD1-CD2 3.96Å; Y224-L306 HydrophobicContact CD2-CD2 4.12Å; Y224-L306 HydrophobicContact CE1-CD2 3.42Å; Y224-L306 VanDerWaalsContact CE1-CD2 3.42Å; Y224-L306 HydrophobicContact CE1-CG 4.49Å; Y224-L306 HydrophobicContact CE2-CD2 3.55Å; Y224-L306 HydrophobicContact CG-CD2 4.29Å; Y224-L306 WeakPolarHBondContact OH-CD2 3.36Å; Y224-L307 HydrophobicContact CD1-CD2 4.34Å |
| 225 | T | 86.8 | Confident | 85 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 174 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | A221 Q222 D228 G229 | A221-T225 PolarHBondContact O-N 3.13Å; A221-T225 PolarHBondContact O-OG1 2.96Å; A221-T225 VanDerWaalsContact O-OG1 3.07Å; Q222-T225 WeakPolarHBondContact O-CB 3.37Å; Q222-T225 PolarHBondContact O-N 3.44Å; T225-D228 WeakPolarHBondContact O-CB 3.48Å; T225-D228 PolarHBondContact O-N 2.68Å; T225-G229 PolarHBondContact O-N 3.38Å |
| 226 | D | 91.3 | Very high | 84.7 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.4 | -35.5 | 176.9 | -79.1 | 0.3 | 0 | 0 | 0 | 112 | Q222 L223 Y224 G229 K249 R250 A253 | Q222-D226 PolarHBondContact NE2-OD1 3.2Å; Q222-D226 PolarHBondContact O-N 3.18Å; L223-D226 PolarHBondContact O-N 3.03Å; Y224-D226 VanDerWaalsContact C-N 3.3Å; Y224-D226 PolarHBondContact O-N 2.91Å; D226-G229 PolarHBondContact O-N 3.35Å; D226-K249 HydrophobicContact CB-CB 4.18Å; D226-R250 WeakPolarHBondContact O-CA 3.37Å; D226-A253 HydrophobicContact CB-CB 3.72Å |
| 227 | L | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 170.1 | -82 | -178 | 0 | 0 | 0 | 111.7 | V135 L223 Y224 G229 G230 R250 A253 H254 I257 I303 | V135-L227 HydrophobicContact CG1-CB 4.33Å; V135-L227 HydrophobicContact CG1-CD2 4.24Å; L223-L227 PolarHBondContact O-N 3.38Å; Y224-L227 HydrophobicContact CD1-CD1 4.17Å; Y224-L227 HydrophobicContact CE1-CD1 4.4Å; Y224-L227 WeakPolarHBondContact O-CB 3.21Å; Y224-L227 PolarHBondContact O-N 3.5Å; L227-G229 PolarHBondContact O-N 2.89Å; L227-G230 WeakPolarHBondContact O-CA 3.19Å; L227-G230 PolarHBondContact O-N 3.27Å; L227-R250 HydrophobicContact CD2-CG 4.24Å; L227-A253 HydrophobicContact CD2-CB 4.36Å; L227-A253 HydrophobicContact CG-CB 4.05Å; L227-H254 HydrophobicContact CD2-CB 3.76Å; L227-I257 HydrophobicContact CD1-CD1 3.34Å; L227-I257 HydrophobicContact CG-CD1 4.05Å; L227-I303 HydrophobicContact CD1-CG2 3.94Å |
| 228 | D | 86.7 | Confident | 84 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -32.1 | 178.3 | -72.9 | -30.6 | 0 | 0 | 0 | 112.4 | Y224 T225 G230 F231 L307 H311 | Y224-D228 VanDerWaalsContact O-CG 3.28Å; Y224-D228 PolarHBondContact O-N 3.13Å; T225-D228 WeakPolarHBondContact O-CB 3.48Å; T225-D228 PolarHBondContact O-N 2.68Å; D228-G230 PolarHBondContact O-N 3.38Å; D228-F231 WeakPolarHBondContact O-CB 3.2Å; D228-F231 PolarHBondContact O-N 3.04Å; D228-L307 WeakPolarHBondContact OD1-CD2 3.32Å; D228-H311 VanDerWaalsContact CG-CE1 3.46Å; D228-H311 IonicContact OD1-CD2 3.01Å; D228-H311 IonicContact OD1-CE1 2.62Å; D228-H311 IonicContact OD1-NE2 3.71Å; D228-H311 PolarHBondContact OD1-NE2 3.41Å; D228-H311 IonicContact OD2-CE1 3.56Å; D228-H311 PolarHBondContact OD2-CE1 3.35Å; D228-H311 IonicContact OD2-NE2 3.43Å; D228-H311 PolarHBondContact OD2-NE2 2.84Å |
| 229 | G | 84.2 | Confident | 84 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -16.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T225 D226 L227 F231 | T225-G229 PolarHBondContact O-N 3.38Å; D226-G229 PolarHBondContact O-N 3.35Å; L227-G229 PolarHBondContact O-N 2.89Å; G229-F231 VanDerWaalsContact C-N 3.27Å; G229-F231 PolarHBondContact O-N 3.02Å |
| 230 | G | 84.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -22.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L227 D228 S232 A235 | L227-G230 WeakPolarHBondContact O-CA 3.19Å; L227-G230 PolarHBondContact O-N 3.27Å; D228-G230 PolarHBondContact O-N 3.38Å; G230-S232 VanDerWaalsContact C-N 3.34Å; G230-S232 PolarHBondContact O-N 3.12Å; G230-A235 WeakPolarHBondContact O-CB 3.3Å |
| 231 | F | 85.3 | Confident | 83.2 | Confident | 51 Ų | 51 | 50.9 Ų | 50.9 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -93.2 | 60.5 | -179.7 | -71.5 | -48.9 | 0 | 0 | 0 | 111.2 | T132 V135 F136 D228 G229 L307 M481 | T132-F231 HydrophobicContact CG2-CE1 4.01Å; V135-F231 HydrophobicContact CB-CE1 4.46Å; V135-F231 HydrophobicContact CB-CE2 4.31Å; V135-F231 HydrophobicContact CB-CZ 3.91Å; V135-F231 HydrophobicContact CG1-CE2 3.75Å; V135-F231 HydrophobicContact CG1-CZ 3.78Å; V135-F231 HydrophobicContact CG2-CE1 4.07Å; V135-F231 HydrophobicContact CG2-CE2 4.17Å; V135-F231 HydrophobicContact CG2-CZ 3.88Å; F136-F231 HydrophobicContact CE1-CE2 4.46Å; F136-F231 AromaticContact CE1-CZ 3.92Å; F136-F231 HydrophobicContact CE1-CZ 3.92Å; F136-F231 AromaticContact CZ-CZ 3.95Å; F136-F231 HydrophobicContact CZ-CZ 3.95Å; D228-F231 WeakPolarHBondContact O-CB 3.2Å; D228-F231 PolarHBondContact O-N 3.04Å; G229-F231 VanDerWaalsContact C-N 3.27Å; G229-F231 PolarHBondContact O-N 3.02Å; F231-L307 HydrophobicContact CE2-CD1 4.18Å; F231-M481 VanDerWaalsContact C-CE 3.4Å; F231-M481 VanDerWaalsContact CA-CE 3.47Å; F231-M481 HydrophobicContact CB-CE 3.26Å; F231-M481 HydrophobicContact CD1-CE 3.9Å; F231-M481 HydrophobicContact CG-CE 3.92Å; F231-M481 VanDerWaalsContact O-CE 3.23Å; F231-M481 WeakPolarHBondContact O-CE 3.42Å |
| 232 | S | 80.9 | Confident | 83.2 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -116.1 | 156.4 | -178.7 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | G230 A234 A235 W236 | G230-S232 VanDerWaalsContact C-N 3.34Å; G230-S232 PolarHBondContact O-N 3.12Å; S232-A234 PolarHBondContact O-N 3.37Å; S232-A235 WeakPolarHBondContact O-CB 3.19Å; S232-A235 PolarHBondContact O-N 3.22Å; S232-A235 PolarHBondContact OG-N 3.46Å; S232-W236 PolarHBondContact O-N 3.41Å; S232-W236 VanDerWaalsContact O-N 3.09Å |
| 233 | H | 77.1 | Confident | 83 | Confident | 98 Ų | 98 | 50.6 Ų | 50.6 | 45% | 0.454 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -52.5 | -36.1 | 168.9 | -69.2 | 98.5 | 0 | 0 | 0 | 112 | W236 L237 T479 | H233-W236 PolarHBondContact O-N 3.1Å; H233-L237 WeakPolarHBondContact O-CG 3.3Å; H233-L237 PolarHBondContact O-N 2.86Å; H233-L237 VanDerWaalsContact O-N 3.11Å; H233-T479 PolarHBondContact CE1-O 3.44Å; H233-T479 PolarHBondContact ND1-O 2.71Å |
| 234 | A | 78.4 | Confident | 82.9 | Confident | 34 Ų | 34 | 52 Ų | 52 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S232 W236 L237 L238 L244 | S232-A234 PolarHBondContact O-N 3.37Å; A234-W236 VanDerWaalsContact C-N 3.3Å; A234-W236 PolarHBondContact O-N 3.14Å; A234-L237 PolarHBondContact O-N 3.28Å; A234-L238 HydrophobicContact CB-CD1 4.25Å; A234-L238 VanDerWaalsContact O-CB 3.25Å; A234-L238 WeakPolarHBondContact O-CB 3.23Å; A234-L238 WeakPolarHBondContact O-CG 3.37Å; A234-L238 PolarHBondContact O-N 3.48Å; A234-L244 HydrophobicContact CB-CD1 4.07Å |
| 235 | A | 82.6 | Confident | 83 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L131 G230 S232 F247 | L131-A235 HydrophobicContact CD2-CB 3.6Å; G230-A235 WeakPolarHBondContact O-CB 3.3Å; S232-A235 WeakPolarHBondContact O-CB 3.19Å; S232-A235 PolarHBondContact O-N 3.22Å; S232-A235 PolarHBondContact OG-N 3.46Å; A235-F247 HydrophobicContact CB-CE1 3.72Å; A235-F247 HydrophobicContact CB-CZ 4.02Å |
| 236 | W | 79.4 | Confident | 83.1 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 20% | 0.197 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 176.9 | -177.3 | 62.5 | 0 | 0 | 0 | 111.3 | V98 F102 K130 L131 S232 H233 A234 | V98-W236 HydrophobicContact CG2-CZ3 4.42Å; F102-W236 HydrophobicContact CE1-CZ2 4.36Å; F102-W236 HydrophobicContact CE2-CH2 4.27Å; F102-W236 AromaticContact CZ-CH2 3.61Å; F102-W236 HydrophobicContact CZ-CH2 3.61Å; F102-W236 AromaticContact CZ-CZ2 3.63Å; F102-W236 HydrophobicContact CZ-CZ2 3.63Å; K130-W236 PolarHBondContact NZ-O 3.38Å; L131-W236 HydrophobicContact CD1-CB 4.23Å; L131-W236 HydrophobicContact CD1-CG 4.38Å; L131-W236 HydrophobicContact CD2-CB 4.03Å; L131-W236 HydrophobicContact CG-CB 4.44Å; S232-W236 PolarHBondContact O-N 3.41Å; S232-W236 VanDerWaalsContact O-N 3.09Å; H233-W236 PolarHBondContact O-N 3.1Å; A234-W236 VanDerWaalsContact C-N 3.3Å; A234-W236 PolarHBondContact O-N 3.14Å |
| 237 | L | 76.4 | Confident | 83.1 | Confident | 76 Ų | 76 | 53.2 Ų | 53.2 | 40% | 0.398 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -83.3 | -45.4 | -173.8 | -66.9 | 177.6 | 0 | 0 | 0 | 114 | V98 K130 H233 A234 | V98-L237 HydrophobicContact CB-CD2 3.64Å; V98-L237 HydrophobicContact CG1-CD1 4.08Å; V98-L237 HydrophobicContact CG1-CD2 3.41Å; V98-L237 VanDerWaalsContact CG1-CD2 3.41Å; V98-L237 HydrophobicContact CG1-CG 4.32Å; V98-L237 HydrophobicContact CG2-CD1 4.22Å; V98-L237 HydrophobicContact CG2-CD2 3.94Å; K130-L237 PolarHBondContact NZ-O 3.45Å; H233-L237 WeakPolarHBondContact O-CG 3.3Å; H233-L237 PolarHBondContact O-N 2.86Å; H233-L237 VanDerWaalsContact O-N 3.11Å; A234-L237 PolarHBondContact O-N 3.28Å |
| 238 | L | 78.4 | Confident | 83.2 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -86.1 | 150.7 | -171 | -60.7 | 173.1 | 0 | 0 | 0 | 111.5 | K130 A234 V242 L244 | K130-L238 WeakPolarHBondContact CE-O 3.36Å; K130-L238 PolarHBondContact NZ-O 3.46Å; A234-L238 HydrophobicContact CB-CD1 4.25Å; A234-L238 VanDerWaalsContact O-CB 3.25Å; A234-L238 WeakPolarHBondContact O-CB 3.23Å; A234-L238 WeakPolarHBondContact O-CG 3.37Å; A234-L238 PolarHBondContact O-N 3.48Å; L238-V242 HydrophobicContact CB-CG2 4.34Å; L238-L244 HydrophobicContact CD1-CD1 3.77Å |
| 239 | P | 78.2 | Confident | 83.5 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | trans | -59.2 | 146.5 | 170.7 | -22.1 | 33.2 | 0 | 0 | 0 | 112 | W241 V242 | P239-W241 HydrophobicContact CB-CD2 3.9Å; P239-W241 HydrophobicContact CB-CG 4.11Å; P239-W241 HydrophobicContact CB-CZ2 3.71Å; P239-W241 HydrophobicContact CG-CH2 4.36Å; P239-W241 HydrophobicContact CG-CZ2 3.66Å; P239-W241 PolarHBondContact O-N 3.3Å; P239-V242 HydrophobicContact CB-CG2 4.35Å; P239-V242 HydrophobicContact CG-CG2 4.48Å; P239-V242 WeakPolarHBondContact O-CG2 3.48Å; P239-V242 PolarHBondContact O-N 2.93Å | ||
| 240 | T | 75 | Confident | 84 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 41% | 0.405 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.9 | -176.3 | 50 | 0 | 0 | 0 | 0 | 113.9 | K130 P134 V242 | K130-T240 HydrophobicContact CG-CG2 4.05Å; P134-T240 HydrophobicContact CG-CG2 4.26Å; T240-V242 VanDerWaalsContact C-N 3.32Å |
| 241 | W | 77.6 | Confident | 84.5 | Confident | 204 Ų | 204 | 67.1 Ų | 67.1 | 77% | 0.773 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -6.6 | 178.1 | 52.2 | -104.9 | 0 | 0 | 0 | 114.2 | P239 P243 | P239-W241 HydrophobicContact CB-CD2 3.9Å; P239-W241 HydrophobicContact CB-CG 4.11Å; P239-W241 HydrophobicContact CB-CZ2 3.71Å; P239-W241 HydrophobicContact CG-CH2 4.36Å; P239-W241 HydrophobicContact CG-CZ2 3.66Å; P239-W241 PolarHBondContact O-N 3.3Å; W241-P243 WeakPolarHBondContact O-CD 3.3Å |
| 242 | V | 85.5 | Confident | 85 | Confident | 32 Ų | 32 | 71.7 Ų | 71.7 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -67.7 | 124 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | L238 P239 T240 L244 F247 | L238-V242 HydrophobicContact CB-CG2 4.34Å; P239-V242 HydrophobicContact CB-CG2 4.35Å; P239-V242 HydrophobicContact CG-CG2 4.48Å; P239-V242 WeakPolarHBondContact O-CG2 3.48Å; P239-V242 PolarHBondContact O-N 2.93Å; T240-V242 VanDerWaalsContact C-N 3.32Å; V242-L244 HydrophobicContact CG1-CD2 4.17Å; V242-L244 HydrophobicContact CG1-CG 3.92Å; V242-L244 PolarHBondContact O-N 3.48Å; V242-F247 HydrophobicContact CB-CE2 4.46Å; V242-F247 WeakPolarHBondContact O-CD2 3.31Å |
| 243 | P | 84.3 | Confident | 85.7 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | trans | -81.1 | 52.4 | -170.1 | 34.2 | -37.9 | 0 | 0 | 0 | 112.9 | W241 | W241-P243 WeakPolarHBondContact O-CD 3.3Š| ||
| 244 | L | 89.1 | Confident | 86.6 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | trans | -65.4 | 144.2 | 176.2 | -67.4 | -176.6 | 0 | 0 | 0 | 111 | A234 L238 V242 S246 F247 R248 | A234-L244 HydrophobicContact CB-CD1 4.07Å; L238-L244 HydrophobicContact CD1-CD1 3.77Å; V242-L244 HydrophobicContact CG1-CD2 4.17Å; V242-L244 HydrophobicContact CG1-CG 3.92Å; V242-L244 PolarHBondContact O-N 3.48Å; L244-S246 PolarHBondContact O-N 3.27Å; L244-F247 HydrophobicContact CB-CB 4.48Å; L244-F247 HydrophobicContact CB-CD1 4.32Å; L244-F247 HydrophobicContact CB-CD2 4.29Å; L244-F247 HydrophobicContact CB-CG 4.12Å; L244-F247 HydrophobicContact CD1-CE1 4.08Å; L244-F247 HydrophobicContact CD1-CE2 4.16Å; L244-F247 HydrophobicContact CD1-CZ 3.82Å; L244-F247 HydrophobicContact CG-CE2 4.46Å; L244-F247 PolarHBondContact O-N 2.81Å; L244-R248 PolarHBondContact O-N 2.77Å; L244-R248 VanDerWaalsContact O-N 3.07Å | ||
| 245 | P | 89.7 | Confident | 87.4 | Confident | 95 Ų | 95 | 72.8 Ų | 72.8 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -53.3 | -39.9 | 176.9 | -28 | 35.2 | 0 | 0 | 0 | 113.3 | R248 K249 | P245-R248 PolarHBondContact O-N 3.22Å; P245-K249 WeakPolarHBondContact O-CB 3.15Å; P245-K249 WeakPolarHBondContact O-CG 3.27Å; P245-K249 PolarHBondContact O-N 2.96Å |
| 246 | S | 88.2 | Confident | 88 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 28% | 0.28 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 176.8 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | L244 K249 R250 | L244-S246 PolarHBondContact O-N 3.27Å; S246-K249 PolarHBondContact O-N 2.94Å; S246-R250 WeakPolarHBondContact O-CB 3.4Å; S246-R250 PolarHBondContact O-N 3.5Å |
| 247 | F | 91.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 178.9 | -64.6 | 3.2 | 0 | 0 | 0 | 110.8 | A235 V242 L244 K249 R250 D251 | A235-F247 HydrophobicContact CB-CE1 3.72Å; A235-F247 HydrophobicContact CB-CZ 4.02Å; V242-F247 HydrophobicContact CB-CE2 4.46Å; V242-F247 WeakPolarHBondContact O-CD2 3.31Å; L244-F247 HydrophobicContact CB-CB 4.48Å; L244-F247 HydrophobicContact CB-CD1 4.32Å; L244-F247 HydrophobicContact CB-CD2 4.29Å; L244-F247 HydrophobicContact CB-CG 4.12Å; L244-F247 HydrophobicContact CD1-CE1 4.08Å; L244-F247 HydrophobicContact CD1-CE2 4.16Å; L244-F247 HydrophobicContact CD1-CZ 3.82Å; L244-F247 HydrophobicContact CG-CE2 4.46Å; L244-F247 PolarHBondContact O-N 2.81Å; F247-K249 PolarHBondContact O-N 3.02Å; F247-R250 PolarHBondContact O-N 3.24Å; F247-D251 WeakPolarHBondContact O-CB 3.22Å; F247-D251 PolarHBondContact O-N 3.35Å |
| 248 | R | 93.3 | Very high | 89.6 | Confident | 178 Ų | 178 | 70.4 Ų | 70.4 | 67% | 0.672 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 176.5 | -62.8 | -179.3 | 81.4 | 174.8 | 5.1 | 111.8 | L244 P245 R252 | L244-R248 PolarHBondContact O-N 2.77Å; L244-R248 VanDerWaalsContact O-N 3.07Å; P245-R248 PolarHBondContact O-N 3.22Å; R248-R252 WeakPolarHBondContact O-CB 3.44Å; R248-R252 PolarHBondContact O-N 3.14Å |
| 249 | K | 94.5 | Very high | 90.4 | Very high | 115 Ų | 115 | 71.3 Ų | 71.3 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 174 | -76.3 | -176 | 176.2 | -166.5 | 0 | 111.4 | D226 P245 S246 F247 D251 R252 A253 | D226-K249 HydrophobicContact CB-CB 4.18Å; P245-K249 WeakPolarHBondContact O-CB 3.15Å; P245-K249 WeakPolarHBondContact O-CG 3.27Å; P245-K249 PolarHBondContact O-N 2.96Å; S246-K249 PolarHBondContact O-N 2.94Å; F247-K249 PolarHBondContact O-N 3.02Å; K249-D251 PolarHBondContact O-N 3.19Å; K249-R252 WeakPolarHBondContact O-CB 3.25Å; K249-R252 PolarHBondContact O-N 3.45Å; K249-A253 WeakPolarHBondContact O-CB 3.08Å; K249-A253 PolarHBondContact O-N 3.15Å |
| 250 | R | 94.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -52.2 | -53.1 | 173.9 | 177.6 | -157.2 | 66 | -154.9 | -5 | 111.7 | V135 D226 L227 S246 F247 R252 A253 H254 | V135-R250 HydrophobicContact CG2-CG 4.23Å; D226-R250 WeakPolarHBondContact O-CA 3.37Å; L227-R250 HydrophobicContact CD2-CG 4.24Å; S246-R250 WeakPolarHBondContact O-CB 3.4Å; S246-R250 PolarHBondContact O-N 3.5Å; F247-R250 PolarHBondContact O-N 3.24Å; R250-R252 VanDerWaalsContact C-N 3.29Å; R250-R252 PolarHBondContact O-N 3Å; R250-A253 PolarHBondContact O-N 2.99Å; R250-H254 WeakPolarHBondContact O-CB 3.33Å; R250-H254 PolarHBondContact O-N 3.43Å |
| 251 | D | 94.1 | Very high | 92 | Very high | 62 Ų | 62 | 67.3 Ų | 67.3 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -30.9 | -175.6 | -63.7 | -14.8 | 0 | 0 | 0 | 112.5 | F247 K249 R255 | F247-D251 WeakPolarHBondContact O-CB 3.22Å; F247-D251 PolarHBondContact O-N 3.35Å; K249-D251 PolarHBondContact O-N 3.19Å; D251-R255 WeakPolarHBondContact O-CG 3.21Å; D251-R255 PolarHBondContact O-N 3.13Å; D251-R255 PolarHBondContact O-NE 3.32Å |
| 252 | R | 95.9 | Very high | 92.9 | Very high | 147 Ų | 147 | 60.3 Ų | 60.3 | 56% | 0.555 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.5 | -52.3 | 170.9 | 179.6 | -177.2 | 173.4 | -165.4 | -8.7 | 110.6 | R248 K249 R250 H254 R255 E256 | R248-R252 WeakPolarHBondContact O-CB 3.44Å; R248-R252 PolarHBondContact O-N 3.14Å; K249-R252 WeakPolarHBondContact O-CB 3.25Å; K249-R252 PolarHBondContact O-N 3.45Å; R250-R252 VanDerWaalsContact C-N 3.29Å; R250-R252 PolarHBondContact O-N 3Å; R252-H254 VanDerWaalsContact C-N 3.31Å; R252-H254 PolarHBondContact O-N 3.05Å; R252-R255 PolarHBondContact O-N 2.83Å; R252-R255 VanDerWaalsContact O-N 3.14Å; R252-E256 WeakPolarHBondContact CG-OE1 3.48Å; R252-E256 IonicContact CZ-OE1 3.15Å; R252-E256 IonicContact NE-OE1 3.07Å; R252-E256 PolarHBondContact NE-OE1 3.03Å; R252-E256 IonicContact NH2-OE1 3.9Å; R252-E256 PolarHBondContact NH2-OE1 2.99Å; R252-E256 PolarHBondContact O-N 3.35Å |
| 253 | A | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L223 D226 L227 K249 R250 R255 E256 I257 | L223-A253 HydrophobicContact CB-CB 4.14Å; L223-A253 HydrophobicContact CD2-CB 4.08Å; L223-A253 VanDerWaalsContact O-CB 3.28Å; L223-A253 WeakPolarHBondContact O-CB 3.28Å; D226-A253 HydrophobicContact CB-CB 3.72Å; L227-A253 HydrophobicContact CD2-CB 4.36Å; L227-A253 HydrophobicContact CG-CB 4.05Å; K249-A253 WeakPolarHBondContact O-CB 3.08Å; K249-A253 PolarHBondContact O-N 3.15Å; R250-A253 PolarHBondContact O-N 2.99Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 3.43Å; A253-E256 PolarHBondContact O-N 3.25Å; A253-I257 WeakPolarHBondContact O-CB 3.37Å; A253-I257 WeakPolarHBondContact O-CG1 3.33Å; A253-I257 PolarHBondContact O-N 2.86Å |
| 254 | H | 95.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 61.6 Ų | 61.6 | 11% | 0.111 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.7 | -48.5 | 173.4 | -178.2 | 78.9 | 0 | 0 | 0 | 112.3 | V135 F136 G137 L227 R250 R252 K258 | V135-H254 PolarHBondContact O-CE1 3.24Å; V135-H254 PolarHBondContact O-ND1 2.93Å; F136-H254 VanDerWaalsContact C-CE1 3.47Å; F136-H254 PolarHBondContact O-CE1 3.44Å; G137-H254 WeakPolarHBondContact CA-CE1 3.28Å; G137-H254 PolarHBondContact N-CE1 2.7Å; G137-H254 VanDerWaalsContact N-CE1 3.31Å; L227-H254 HydrophobicContact CD2-CB 3.76Å; R250-H254 WeakPolarHBondContact O-CB 3.33Å; R250-H254 PolarHBondContact O-N 3.43Å; R252-H254 VanDerWaalsContact C-N 3.31Å; R252-H254 PolarHBondContact O-N 3.05Å; H254-K258 WeakPolarHBondContact CE1-CE 3.16Å; H254-K258 WeakPolarHBondContact NE2-CD 3.49Å; H254-K258 WeakPolarHBondContact NE2-CE 3.47Å; H254-K258 PolarHBondContact NE2-NZ 2.75Å; H254-K258 WeakPolarHBondContact O-CB 3.23Å; H254-K258 WeakPolarHBondContact O-CG 3.39Å; H254-K258 PolarHBondContact O-N 3Å |
| 255 | R | 96.4 | Very high | 93.9 | Very high | 161 Ų | 161 | 59.3 Ų | 59.3 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.5 | -42.5 | 179.4 | -72.2 | -178.3 | -69.2 | -172.7 | 2.7 | 112.2 | D251 R252 A253 K258 N259 | D251-R255 WeakPolarHBondContact O-CG 3.21Å; D251-R255 PolarHBondContact O-N 3.13Å; D251-R255 PolarHBondContact O-NE 3.32Å; R252-R255 PolarHBondContact O-N 2.83Å; R252-R255 VanDerWaalsContact O-N 3.14Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 3.43Å; R255-K258 PolarHBondContact O-N 2.84Å; R255-N259 WeakPolarHBondContact O-CB 3.34Å; R255-N259 PolarHBondContact O-N 3.23Å; R255-N259 PolarHBondContact O-ND2 2.83Å |
| 256 | E | 95.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 180 | -70.4 | -174.6 | -160.9 | 0 | 0 | 111.8 | L223 R252 A253 N259 I260 | L223-E256 HydrophobicContact CD1-CB 3.84Å; L223-E256 HydrophobicContact CD2-CB 4.27Å; L223-E256 WeakPolarHBondContact CD2-OE2 3.39Å; R252-E256 WeakPolarHBondContact CG-OE1 3.48Å; R252-E256 IonicContact CZ-OE1 3.15Å; R252-E256 IonicContact NE-OE1 3.07Å; R252-E256 PolarHBondContact NE-OE1 3.03Å; R252-E256 IonicContact NH2-OE1 3.9Å; R252-E256 PolarHBondContact NH2-OE1 2.99Å; R252-E256 PolarHBondContact O-N 3.35Å; A253-E256 PolarHBondContact O-N 3.25Å; E256-N259 PolarHBondContact O-N 3.25Å; E256-I260 PolarHBondContact O-N 2.98Å; E256-I260 VanDerWaalsContact O-N 3.13Å |
| 257 | I | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 175.8 | -72.1 | 167 | 0 | 0 | 0 | 111.3 | L223 Y224 L227 A253 N259 I260 F261 I303 | L223-I257 HydrophobicContact CB-CD1 3.6Å; L223-I257 HydrophobicContact CB-CG1 3.82Å; L223-I257 HydrophobicContact CD1-CG1 4.02Å; Y224-I257 HydrophobicContact CD1-CD1 3.89Å; Y224-I257 HydrophobicContact CD2-CD1 4.42Å; Y224-I257 HydrophobicContact CE1-CD1 3.78Å; Y224-I257 HydrophobicContact CE1-CG2 4.5Å; Y224-I257 HydrophobicContact CE2-CD1 4.37Å; Y224-I257 HydrophobicContact CG-CD1 4.19Å; L227-I257 HydrophobicContact CD1-CD1 3.34Å; L227-I257 HydrophobicContact CG-CD1 4.05Å; A253-I257 WeakPolarHBondContact O-CB 3.37Å; A253-I257 WeakPolarHBondContact O-CG1 3.33Å; A253-I257 PolarHBondContact O-N 2.86Å; I257-N259 VanDerWaalsContact C-N 3.3Å; I257-N259 PolarHBondContact O-N 3.18Å; I257-I260 WeakPolarHBondContact O-CB 3.16Å; I257-I260 PolarHBondContact O-N 2.93Å; I257-I260 VanDerWaalsContact O-N 3.1Å; I257-F261 HydrophobicContact CG2-CD2 4.03Å; I257-F261 HydrophobicContact CG2-CE1 4.38Å; I257-F261 HydrophobicContact CG2-CE2 3.62Å; I257-F261 HydrophobicContact CG2-CZ 3.82Å; I257-F261 PolarHBondContact O-N 2.8Å; I257-I303 HydrophobicContact CG2-CD1 3.97Å; I257-I303 HydrophobicContact CG2-CG1 3.8Å |
| 258 | K | 95.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 175 | -81.9 | -166.1 | 163.8 | 178.5 | 0 | 112.3 | H254 R255 I260 F261 F262 D296 A299 I303 | H254-K258 WeakPolarHBondContact CE1-CE 3.16Å; H254-K258 WeakPolarHBondContact NE2-CD 3.49Å; H254-K258 WeakPolarHBondContact NE2-CE 3.47Å; H254-K258 PolarHBondContact NE2-NZ 2.75Å; H254-K258 WeakPolarHBondContact O-CB 3.23Å; H254-K258 WeakPolarHBondContact O-CG 3.39Å; H254-K258 PolarHBondContact O-N 3Å; R255-K258 PolarHBondContact O-N 2.84Å; K258-I260 VanDerWaalsContact C-N 3.27Å; K258-I260 PolarHBondContact O-N 2.83Å; K258-F261 PolarHBondContact O-N 3.22Å; K258-F261 VanDerWaalsContact O-N 3.12Å; K258-F262 HydrophobicContact CB-CE1 4.47Å; K258-F262 HydrophobicContact CB-CE2 4.08Å; K258-F262 HydrophobicContact CB-CZ 3.99Å; K258-F262 HydrophobicContact CD-CZ 4.19Å; K258-F262 HydrophobicContact CG-CZ 4.48Å; K258-F262 WeakPolarHBondContact O-CD1 3.48Å; K258-F262 WeakPolarHBondContact O-CD2 3.32Å; K258-F262 WeakPolarHBondContact O-CG 3.19Å; K258-F262 PolarHBondContact O-N 3.44Å; K258-D296 WeakPolarHBondContact CD-OD1 3.19Å; K258-D296 WeakPolarHBondContact CE-OD1 3.49Å; K258-D296 IonicContact NZ-OD1 3.21Å; K258-D296 PolarHBondContact NZ-OD1 2.94Å; K258-D296 IonicContact NZ-OD2 3.46Å; K258-D296 PolarHBondContact NZ-OD2 3.49Å; K258-A299 HydrophobicContact CG-CB 4.07Å; K258-I303 HydrophobicContact CG-CD1 4.05Å |
| 259 | N | 94.8 | Very high | 94.1 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -33.9 | 176.6 | -71.4 | -23.8 | 0 | 0 | 0 | 112.9 | R255 E256 I257 K263 | R255-N259 WeakPolarHBondContact O-CB 3.34Å; R255-N259 PolarHBondContact O-N 3.23Å; R255-N259 PolarHBondContact O-ND2 2.83Å; E256-N259 PolarHBondContact O-N 3.25Å; I257-N259 VanDerWaalsContact C-N 3.3Å; I257-N259 PolarHBondContact O-N 3.18Å; N259-K263 WeakPolarHBondContact O-CG 3.24Å; N259-K263 PolarHBondContact O-N 3.43Å |
| 260 | I | 92.8 | Very high | 94 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 172 | -70.2 | 167.3 | 0 | 0 | 0 | 109.7 | M215 V220 E256 I257 K258 F262 K263 V264 | M215-I260 HydrophobicContact CE-CB 4.31Å; M215-I260 HydrophobicContact CE-CG1 4.16Å; M215-I260 HydrophobicContact CE-CG2 3.5Å; M215-I260 VanDerWaalsContact CE-CG2 3.5Å; M215-I260 HydrophobicContact SD-CG2 3.81Å; V220-I260 HydrophobicContact CG2-CD1 3.93Å; E256-I260 PolarHBondContact O-N 2.98Å; E256-I260 VanDerWaalsContact O-N 3.13Å; I257-I260 WeakPolarHBondContact O-CB 3.16Å; I257-I260 PolarHBondContact O-N 2.93Å; I257-I260 VanDerWaalsContact O-N 3.1Å; K258-I260 VanDerWaalsContact C-N 3.27Å; K258-I260 PolarHBondContact O-N 2.83Å; I260-F262 PolarHBondContact O-N 3.29Å; I260-K263 PolarHBondContact O-N 3.34Å; I260-V264 PolarHBondContact O-N 3.14Å |
| 261 | F | 94.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | -179.2 | -65.4 | -17 | 0 | 0 | 0 | 113 | H208 I212 Y224 I257 K258 K263 V264 I265 A299 L302 I303 | H208-F261 AromaticContact CE1-CZ 3.92Å; I212-F261 HydrophobicContact CD1-CD1 3.69Å; I212-F261 HydrophobicContact CD1-CE1 3.73Å; I212-F261 HydrophobicContact CG1-CD1 4.12Å; I212-F261 HydrophobicContact CG1-CE1 4.11Å; I212-F261 HydrophobicContact CG2-CD1 4.46Å; I212-F261 HydrophobicContact CG2-CE1 3.66Å; I212-F261 HydrophobicContact CG2-CZ 4.49Å; Y224-F261 WeakPolarHBondContact OH-CZ 3.23Å; I257-F261 HydrophobicContact CG2-CD2 4.03Å; I257-F261 HydrophobicContact CG2-CE1 4.38Å; I257-F261 HydrophobicContact CG2-CE2 3.62Å; I257-F261 HydrophobicContact CG2-CZ 3.82Å; I257-F261 PolarHBondContact O-N 2.8Å; K258-F261 PolarHBondContact O-N 3.22Å; K258-F261 VanDerWaalsContact O-N 3.12Å; F261-K263 VanDerWaalsContact C-N 3.33Å; F261-K263 PolarHBondContact O-N 2.92Å; F261-V264 PolarHBondContact O-N 3.41Å; F261-V264 VanDerWaalsContact O-N 3.14Å; F261-I265 HydrophobicContact CB-CD1 4.45Å; F261-I265 WeakPolarHBondContact O-CB 3.48Å; F261-I265 WeakPolarHBondContact O-CD1 3.34Å; F261-I265 VanDerWaalsContact O-CG1 3.23Å; F261-I265 WeakPolarHBondContact O-CG1 3.48Å; F261-I265 PolarHBondContact O-N 3.43Å; F261-A299 HydrophobicContact CB-CB 3.85Å; F261-A299 HydrophobicContact CD2-CB 3.99Å; F261-A299 HydrophobicContact CG-CB 4.45Å; F261-L302 HydrophobicContact CD2-CB 3.98Å; F261-L302 HydrophobicContact CD2-CD1 4.22Å; F261-L302 HydrophobicContact CE2-CB 3.62Å; F261-L302 HydrophobicContact CG-CD1 4.27Å; F261-L302 HydrophobicContact CZ-CB 4.15Å; F261-I303 HydrophobicContact CD2-CG1 4.24Å; F261-I303 HydrophobicContact CE2-CG1 3.67Å |
| 262 | F | 95.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 66.1 Ų | 66.1 | 25% | 0.25 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 175.6 | -63.3 | -22.3 | 0 | 0 | 0 | 112.2 | K258 I260 V264 I265 E266 D295 D296 A299 | K258-F262 HydrophobicContact CB-CE1 4.47Å; K258-F262 HydrophobicContact CB-CE2 4.08Å; K258-F262 HydrophobicContact CB-CZ 3.99Å; K258-F262 HydrophobicContact CD-CZ 4.19Å; K258-F262 HydrophobicContact CG-CZ 4.48Å; K258-F262 WeakPolarHBondContact O-CD1 3.48Å; K258-F262 WeakPolarHBondContact O-CD2 3.32Å; K258-F262 WeakPolarHBondContact O-CG 3.19Å; K258-F262 PolarHBondContact O-N 3.44Å; I260-F262 PolarHBondContact O-N 3.29Å; F262-V264 VanDerWaalsContact C-N 3.31Å; F262-V264 PolarHBondContact O-N 2.85Å; F262-I265 PolarHBondContact O-N 3.35Å; F262-E266 VanDerWaalsContact O-CB 3.25Å; F262-E266 WeakPolarHBondContact O-CB 3.3Å; F262-E266 PolarHBondContact O-N 2.85Å; F262-D295 HydrophobicContact CD1-CB 3.94Å; F262-D295 HydrophobicContact CE1-CB 4.11Å; F262-D295 WeakPolarHBondContact CE1-O 3.44Å; F262-D296 HydrophobicContact CZ-CB 4.41Å; F262-A299 HydrophobicContact CD1-CB 4.2Å; F262-A299 HydrophobicContact CE1-CB 3.75Å |
| 263 | K | 94.1 | Very high | 92.4 | Very high | 146 Ų | 146 | 65.7 Ų | 65.7 | 64% | 0.635 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 177.1 | -69.7 | 174.2 | -176.7 | -179.1 | 0 | 112.2 | N259 I260 F261 K267 | N259-K263 WeakPolarHBondContact O-CG 3.24Å; N259-K263 PolarHBondContact O-N 3.43Å; I260-K263 PolarHBondContact O-N 3.34Å; F261-K263 VanDerWaalsContact C-N 3.33Å; F261-K263 PolarHBondContact O-N 2.92Å; K263-K267 VanDerWaalsContact O-CB 3.28Å; K263-K267 WeakPolarHBondContact O-CB 3.21Å; K263-K267 PolarHBondContact O-N 3.07Å |
| 264 | V | 92.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 71.4 Ų | 71.4 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.6 | -46.5 | 178.8 | 177.3 | 0 | 0 | 0 | 0 | 111 | E211 I212 M215 I260 F261 F262 E266 K267 R268 L279 | E211-V264 HydrophobicContact CB-CG1 3.94Å; I212-V264 HydrophobicContact CD1-CG1 4.4Å; I212-V264 HydrophobicContact CG1-CB 4.34Å; I212-V264 HydrophobicContact CG1-CG1 4.04Å; I212-V264 HydrophobicContact CG1-CG2 4.07Å; M215-V264 HydrophobicContact SD-CG2 3.91Å; I260-V264 PolarHBondContact O-N 3.14Å; F261-V264 PolarHBondContact O-N 3.41Å; F261-V264 VanDerWaalsContact O-N 3.14Å; F262-V264 VanDerWaalsContact C-N 3.31Å; F262-V264 PolarHBondContact O-N 2.85Å; V264-E266 PolarHBondContact O-N 3.4Å; V264-K267 PolarHBondContact O-N 3.27Å; V264-R268 PolarHBondContact O-N 3.11Å; V264-L279 HydrophobicContact CG1-CD2 3.75Å |
| 265 | I | 93.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 177.9 | -66.9 | 160.6 | 0 | 0 | 0 | 110.4 | F261 F262 K267 R268 R269 L279 I283 D295 I298 | F261-I265 HydrophobicContact CB-CD1 4.45Å; F261-I265 WeakPolarHBondContact O-CB 3.48Å; F261-I265 WeakPolarHBondContact O-CD1 3.34Å; F261-I265 VanDerWaalsContact O-CG1 3.23Å; F261-I265 WeakPolarHBondContact O-CG1 3.48Å; F261-I265 PolarHBondContact O-N 3.43Å; F262-I265 PolarHBondContact O-N 3.35Å; I265-K267 PolarHBondContact O-N 3.39Å; I265-R268 PolarHBondContact O-N 2.97Å; I265-R269 PolarHBondContact O-N 2.94Å; I265-L279 HydrophobicContact CG1-CD1 3.99Å; I265-I283 HydrophobicContact CG2-CD1 4.44Å; I265-I283 HydrophobicContact CG2-CG1 4.42Å; I265-D295 HydrophobicContact CD1-CB 4.43Å; I265-I298 HydrophobicContact CD1-CB 3.93Å; I265-I298 HydrophobicContact CD1-CG2 3.63Å; I265-I298 HydrophobicContact CG1-CG2 4.16Å |
| 266 | E | 93.8 | Very high | 90.2 | Very high | 94 Ų | 94 | 70.7 Ų | 70.7 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 178.4 | -173.4 | -173.8 | -176.8 | 0 | 0 | 111.4 | F262 V264 R269 K270 | F262-E266 VanDerWaalsContact O-CB 3.25Å; F262-E266 WeakPolarHBondContact O-CB 3.3Å; F262-E266 PolarHBondContact O-N 2.85Å; V264-E266 PolarHBondContact O-N 3.4Å; E266-R269 PolarHBondContact O-N 3.33Å; E266-K270 HydrophobicContact CG-CD 4.14Å; E266-K270 WeakPolarHBondContact O-CB 3.23Å; E266-K270 WeakPolarHBondContact O-CG 3.46Å; E266-K270 PolarHBondContact O-N 2.7Å; E266-K270 WeakPolarHBondContact OE1-CE 3.37Å; E266-K270 IonicContact OE1-NZ 3.26Å; E266-K270 PolarHBondContact OE1-NZ 3.43Å |
| 267 | K | 92.3 | Very high | 89.7 | Confident | 150 Ų | 150 | 68.5 Ų | 68.5 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.6 | -46.6 | 177.5 | -178 | -178.8 | 175 | -171.8 | 0 | 111.4 | K263 V264 I265 K270 S271 | K263-K267 VanDerWaalsContact O-CB 3.28Å; K263-K267 WeakPolarHBondContact O-CB 3.21Å; K263-K267 PolarHBondContact O-N 3.07Å; V264-K267 PolarHBondContact O-N 3.27Å; I265-K267 PolarHBondContact O-N 3.39Å; K267-K270 PolarHBondContact O-N 3.38Å; K267-S271 WeakPolarHBondContact O-CB 2.99Å; K267-S271 PolarHBondContact O-N 3.37Å; K267-S271 PolarHBondContact O-OG 3.3Å |
| 268 | R | 90.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -49.8 | -180 | -174.5 | 67.6 | 75.9 | 81.9 | -5.4 | 110.7 | E211 V264 I265 K270 S271 G272 E273 D277 I283 | E211-R268 IonicContact OE1-CZ 2.62Å; E211-R268 IonicContact OE1-NE 3.32Å; E211-R268 PolarHBondContact OE1-NE 3.47Å; E211-R268 IonicContact OE1-NH2 3.78Å; E211-R268 PolarHBondContact OE1-NH2 3.44Å; E211-R268 IonicContact OE2-NH2 2.78Å; E211-R268 PolarHBondContact OE2-NH2 3.15Å; E211-R268 VanDerWaalsContact OE2-NH2 3.13Å; V264-R268 PolarHBondContact O-N 3.11Å; I265-R268 PolarHBondContact O-N 2.97Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 2.7Å; R268-S271 PolarHBondContact O-N 3.41Å; R268-S271 PolarHBondContact O-OG 3.38Å; R268-G272 PolarHBondContact O-N 3.05Å; R268-E273 WeakPolarHBondContact CD-O 3.41Å; R268-D277 IonicContact CZ-OD2 2.86Å; R268-D277 IonicContact NH1-OD1 3.81Å; R268-D277 PolarHBondContact NH1-OD1 3.13Å; R268-D277 IonicContact NH1-OD2 2.71Å; R268-D277 PolarHBondContact NH1-OD2 3.13Å; R268-D277 IonicContact NH2-OD1 3.49Å; R268-D277 IonicContact NH2-OD2 3.34Å; R268-D277 PolarHBondContact NH2-OD2 3.35Å; R268-I283 HydrophobicContact CB-CD1 4.06Å; R268-I283 HydrophobicContact CG-CD1 3.87Å |
| 269 | R | 90.7 | Very high | 89.2 | Confident | 114 Ų | 114 | 68 Ų | 68 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 177.1 | -74 | -176.8 | 174.3 | 159.6 | 4.5 | 113.5 | I265 E266 I283 D295 | I265-R269 PolarHBondContact O-N 2.94Å; E266-R269 PolarHBondContact O-N 3.33Å; R269-I283 HydrophobicContact CG-CG2 4.08Å; R269-D295 IonicContact CZ-OD1 3.8Å; R269-D295 VanDerWaalsContact CZ-OD1 3.26Å; R269-D295 IonicContact NH1-OD1 3.63Å; R269-D295 PolarHBondContact NH1-OD1 3.42Å; R269-D295 IonicContact NH1-OD2 2.89Å; R269-D295 IonicContact NH2-OD1 2.81Å; R269-D295 PolarHBondContact NH2-OD1 3.06Å |
| 270 | K | 92.8 | Very high | 89 | Confident | 154 Ų | 154 | 64.8 Ų | 64.8 | 67% | 0.67 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -73.4 | -33.5 | 178.8 | -76.9 | 177.6 | 173.7 | 174.2 | 0 | 113.5 | E266 K267 R268 G272 | E266-K270 HydrophobicContact CG-CD 4.14Å; E266-K270 WeakPolarHBondContact O-CB 3.23Å; E266-K270 WeakPolarHBondContact O-CG 3.46Å; E266-K270 PolarHBondContact O-N 2.7Å; E266-K270 WeakPolarHBondContact OE1-CE 3.37Å; E266-K270 IonicContact OE1-NZ 3.26Å; E266-K270 PolarHBondContact OE1-NZ 3.43Å; K267-K270 PolarHBondContact O-N 3.38Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 2.7Å; K270-G272 VanDerWaalsContact C-N 3.33Å |
| 271 | S | 89.9 | Confident | 88.9 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.7 | -29.4 | -178.1 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | K267 R268 E273 | K267-S271 WeakPolarHBondContact O-CB 2.99Å; K267-S271 PolarHBondContact O-N 3.37Å; K267-S271 PolarHBondContact O-OG 3.3Å; R268-S271 PolarHBondContact O-N 3.41Å; R268-S271 PolarHBondContact O-OG 3.38Å; S271-E273 PolarHBondContact O-N 3.16Å; S271-E273 PolarHBondContact OG-N 3.25Å |
| 272 | G | 78.8 | Confident | 88.9 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | trans | 70.2 | 2.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | R268 K270 T274 | R268-G272 PolarHBondContact O-N 3.05Å; K270-G272 VanDerWaalsContact C-N 3.33Å; G272-T274 PolarHBondContact O-N 2.86Å | ||
| 273 | E | 81 | Confident | 88.7 | Confident | 138 Ų | 138 | 63 Ų | 63 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | trans | -70.7 | 127.3 | 174.2 | -66.7 | -180 | 177.6 | 0 | 0 | 109.6 | R268 S271 | R268-E273 WeakPolarHBondContact CD-O 3.41Å; S271-E273 PolarHBondContact O-N 3.16Å; S271-E273 PolarHBondContact OG-N 3.25Å | ||
| 274 | T | 79.1 | Confident | 88.7 | Confident | 121 Ų | 121 | 61 Ų | 61 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | trans | -98.7 | 128.5 | 171.2 | 52.4 | 0 | 0 | 0 | 0 | 109.1 | G272 | G272-T274 PolarHBondContact O-N 2.86Š| ||
| 275 | A | 81.8 | Confident | 88.8 | Confident | 37 Ų | 37 | 61 Ų | 61 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | trans | -117.3 | 145.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | D277 Q280 | A275-D277 PolarHBondContact O-N 2.85Å; A275-Q280 WeakPolarHBondContact O-CB 3.47Å; A275-Q280 WeakPolarHBondContact O-CG 3.25Å | ||
| 276 | D | 82.1 | Confident | 89 | Confident | 133 Ų | 133 | 65 Ų | 65 | 71% | 0.711 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -83.3 | 71.7 | 173.8 | -161.8 | 32.1 | 0 | 0 | 0 | 109.2 | H164 | H164-D276 IonicContact CD2-OD2 3.9Å; H164-D276 PolarHBondContact NE2-O 3.07Å; H164-D276 IonicContact NE2-OD1 3.44Å; H164-D276 PolarHBondContact NE2-OD1 3.33Å; H164-D276 VanDerWaalsContact NE2-OD1 3.14Å; H164-D276 IonicContact NE2-OD2 2.83Å |
| 277 | D | 85.2 | Confident | 89.1 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -137.4 | 170.5 | -179.9 | 68.5 | 24.2 | 0 | 0 | 0 | 113.1 | R268 A275 L279 Q280 T281 | R268-D277 IonicContact CZ-OD2 2.86Å; R268-D277 IonicContact NH1-OD1 3.81Å; R268-D277 PolarHBondContact NH1-OD1 3.13Å; R268-D277 IonicContact NH1-OD2 2.71Å; R268-D277 PolarHBondContact NH1-OD2 3.13Å; R268-D277 IonicContact NH2-OD1 3.49Å; R268-D277 IonicContact NH2-OD2 3.34Å; R268-D277 PolarHBondContact NH2-OD2 3.35Å; A275-D277 PolarHBondContact O-N 2.85Å; D277-L279 VanDerWaalsContact C-N 3.28Å; D277-L279 PolarHBondContact O-N 3.2Å; D277-L279 WeakPolarHBondContact OD1-CB 3.44Å; D277-L279 PolarHBondContact OD1-N 2.91Å; D277-Q280 PolarHBondContact O-N 3.19Å; D277-Q280 WeakPolarHBondContact OD1-CB 3.36Å; D277-Q280 PolarHBondContact OD1-N 3.34Å; D277-T281 PolarHBondContact O-N 2.97Å; D277-T281 PolarHBondContact O-OG1 3.49Å |
| 278 | I | 87.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 178.7 | -69 | -82.9 | 0 | 0 | 0 | 111.3 | L160 L207 T281 L282 L302 L305 | L160-I278 HydrophobicContact CD2-CD1 4.33Å; L207-I278 HydrophobicContact CD2-CG1 4.45Å; L207-I278 VanDerWaalsContact O-CB 3.23Å; L207-I278 WeakPolarHBondContact O-CB 3.05Å; L207-I278 VanDerWaalsContact O-CG2 3.24Å; L207-I278 WeakPolarHBondContact O-CG2 3.36Å; I278-T281 WeakPolarHBondContact O-CB 3.22Å; I278-T281 PolarHBondContact O-N 3.26Å; I278-L282 HydrophobicContact CG2-CD1 4.12Å; I278-L282 HydrophobicContact CG2-CG 4.4Å; I278-L282 WeakPolarHBondContact O-CG 3.31Å; I278-L282 PolarHBondContact O-N 2.93Å; I278-L302 HydrophobicContact CG2-CD2 4.47Å; I278-L305 HydrophobicContact CG2-CD2 3.77Å |
| 279 | L | 90.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -47.2 | -179 | 174.8 | 62.8 | 0 | 0 | 0 | 110.5 | V264 I265 D277 T281 L282 I283 I298 L302 | V264-L279 HydrophobicContact CG1-CD2 3.75Å; I265-L279 HydrophobicContact CG1-CD1 3.99Å; D277-L279 VanDerWaalsContact C-N 3.28Å; D277-L279 PolarHBondContact O-N 3.2Å; D277-L279 WeakPolarHBondContact OD1-CB 3.44Å; D277-L279 PolarHBondContact OD1-N 2.91Å; L279-T281 VanDerWaalsContact C-N 3.34Å; L279-L282 PolarHBondContact O-N 2.96Å; L279-I283 HydrophobicContact CD1-CD1 4.09Å; L279-I283 HydrophobicContact CD1-CG1 4.39Å; L279-I283 HydrophobicContact CG-CD1 3.97Å; L279-I283 WeakPolarHBondContact O-CG1 3.37Å; L279-I283 PolarHBondContact O-N 3.21Å; L279-I298 HydrophobicContact CD1-CG2 4.26Å; L279-L302 HydrophobicContact CD1-CD1 3.97Å |
| 280 | Q | 90.2 | Very high | 89.9 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.8 | -167.8 | 61.3 | 45.1 | 0 | 0 | 111 | A275 D277 L282 I283 D284 | A275-Q280 WeakPolarHBondContact O-CB 3.47Å; A275-Q280 WeakPolarHBondContact O-CG 3.25Å; D277-Q280 PolarHBondContact O-N 3.19Å; D277-Q280 WeakPolarHBondContact OD1-CB 3.36Å; D277-Q280 PolarHBondContact OD1-N 3.34Å; Q280-L282 PolarHBondContact O-N 3.36Å; Q280-I283 PolarHBondContact O-N 2.75Å; Q280-I283 VanDerWaalsContact O-N 3.11Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.36Å; Q280-D284 PolarHBondContact NE2-OD1 3.4Å; Q280-D284 PolarHBondContact NE2-OD2 2.9Å; Q280-D284 WeakPolarHBondContact O-CB 2.98Å; Q280-D284 PolarHBondContact O-N 3.37Å |
| 281 | T | 90.9 | Very high | 90.1 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.2 | -40.7 | 175.3 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | T158 D277 I278 L279 A285 | T158-T281 WeakPolarHBondContact OG1-CG2 3.38Å; D277-T281 PolarHBondContact O-N 2.97Å; D277-T281 PolarHBondContact O-OG1 3.49Å; I278-T281 WeakPolarHBondContact O-CB 3.22Å; I278-T281 PolarHBondContact O-N 3.26Å; L279-T281 VanDerWaalsContact C-N 3.34Å; T281-A285 WeakPolarHBondContact O-CB 3.4Å; T281-A285 PolarHBondContact O-N 3.25Å |
| 282 | L | 93.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.3 | -36.8 | 177.8 | -67.3 | 176.6 | 0 | 0 | 0 | 112.8 | M155 L156 I278 L279 Q280 D284 A285 L293 I298 M301 L302 | M155-L282 HydrophobicContact CB-CD2 4.32Å; L156-L282 HydrophobicContact CD2-CD1 4.32Å; L156-L282 HydrophobicContact CD2-CD2 4.13Å; I278-L282 HydrophobicContact CG2-CD1 4.12Å; I278-L282 HydrophobicContact CG2-CG 4.4Å; I278-L282 WeakPolarHBondContact O-CG 3.31Å; I278-L282 PolarHBondContact O-N 2.93Å; L279-L282 PolarHBondContact O-N 2.96Å; Q280-L282 PolarHBondContact O-N 3.36Å; L282-D284 VanDerWaalsContact C-N 3.27Å; L282-D284 PolarHBondContact O-N 3.14Å; L282-A285 PolarHBondContact O-N 3.43Å; L282-L293 HydrophobicContact CB-CD1 4.29Å; L282-L293 HydrophobicContact CD2-CD1 4Å; L282-L293 WeakPolarHBondContact O-CD1 3.35Å; L282-I298 HydrophobicContact CB-CG1 4.39Å; L282-I298 HydrophobicContact CB-CG2 4.12Å; L282-I298 HydrophobicContact CD1-CG2 4.31Å; L282-M301 HydrophobicContact CD1-CB 4.37Å; L282-M301 HydrophobicContact CD2-CE 3.58Å; L282-M301 HydrophobicContact CD2-SD 4.35Å; L282-L302 HydrophobicContact CD1-CD2 3.94Å; L282-L302 HydrophobicContact CD1-CG 4.23Å |
| 283 | I | 93.3 | Very high | 91.3 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 175.5 | -73.2 | 169.6 | 0 | 0 | 0 | 110.9 | I265 R268 R269 L279 Q280 I298 | I265-I283 HydrophobicContact CG2-CD1 4.44Å; I265-I283 HydrophobicContact CG2-CG1 4.42Å; R268-I283 HydrophobicContact CB-CD1 4.06Å; R268-I283 HydrophobicContact CG-CD1 3.87Å; R269-I283 HydrophobicContact CG-CG2 4.08Å; L279-I283 HydrophobicContact CD1-CD1 4.09Å; L279-I283 HydrophobicContact CD1-CG1 4.39Å; L279-I283 HydrophobicContact CG-CD1 3.97Å; L279-I283 WeakPolarHBondContact O-CG1 3.37Å; L279-I283 PolarHBondContact O-N 3.21Å; Q280-I283 PolarHBondContact O-N 2.75Å; Q280-I283 VanDerWaalsContact O-N 3.11Å; I283-I298 HydrophobicContact CG1-CD1 4.16Å |
| 284 | D | 93.2 | Very high | 92.1 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -87.9 | -6.7 | -176.9 | -61.1 | -21.6 | 0 | 0 | 0 | 113.1 | Q280 L282 | Q280-D284 WeakPolarHBondContact CG-OD2 3.36Å; Q280-D284 PolarHBondContact NE2-OD1 3.4Å; Q280-D284 PolarHBondContact NE2-OD2 2.9Å; Q280-D284 WeakPolarHBondContact O-CB 2.98Å; Q280-D284 PolarHBondContact O-N 3.37Å; L282-D284 VanDerWaalsContact C-N 3.27Å; L282-D284 PolarHBondContact O-N 3.14Å |
| 285 | A | 94.8 | Very high | 93 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | trans | -73.6 | 142.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | M155 T281 L282 L293 | M155-A285 HydrophobicContact CB-CB 4.3Å; M155-A285 HydrophobicContact CE-CB 4.41Å; M155-A285 HydrophobicContact CG-CB 3.92Å; M155-A285 HydrophobicContact SD-CB 3.99Å; T281-A285 WeakPolarHBondContact O-CB 3.4Å; T281-A285 PolarHBondContact O-N 3.25Å; L282-A285 PolarHBondContact O-N 3.43Å; A285-L293 HydrophobicContact CB-CD1 4.06Å; A285-L293 HydrophobicContact CB-CG 4.47Å; A285-L293 PolarHBondContact O-N 3.39Å | ||
| 286 | T | 96.4 | Very high | 93.7 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -128.1 | 142.7 | 172.6 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | M155 R291 P292 | M155-T286 VanDerWaalsContact CE-C 3.46Å; M155-T286 VanDerWaalsContact CE-O 3.25Å; M155-T286 WeakPolarHBondContact CE-O 3.31Å; T286-R291 WeakPolarHBondContact CA-O 3.41Å; T286-P292 HydrophobicContact CG2-CB 4.48Å |
| 287 | Y | 97.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | trans | -66.5 | 166.4 | 168 | -71 | -75.9 | 0 | 0 | 0 | 110.4 | I148 E151 Q152 M155 D289 G290 R291 L293 E297 | I148-Y287 HydrophobicContact CG2-CE1 3.83Å; E151-Y287 HydrophobicContact CB-CD1 3.98Å; E151-Y287 HydrophobicContact CB-CE1 4.28Å; Q152-Y287 HydrophobicContact CG-CE1 4.16Å; Q152-Y287 PolarHBondContact NE2-OH 3.41Å; M155-Y287 HydrophobicContact CE-CD1 3.68Å; M155-Y287 HydrophobicContact CE-CD2 4.44Å; M155-Y287 HydrophobicContact CE-CE1 4Å; M155-Y287 HydrophobicContact CE-CG 3.93Å; Y287-D289 VanDerWaalsContact CB-OD1 3.29Å; Y287-D289 WeakPolarHBondContact CB-OD1 3.23Å; Y287-D289 PolarHBondContact O-N 3.36Å; Y287-D289 VanDerWaalsContact O-N 3.17Å; Y287-G290 PolarHBondContact O-N 3.17Å; Y287-R291 HydrophobicContact CD2-CB 4.45Å; Y287-R291 WeakPolarHBondContact CD2-O 3.24Å; Y287-R291 PolarHBondContact N-O 3.17Å; Y287-L293 HydrophobicContact CD2-CD2 4.31Å; Y287-L293 HydrophobicContact CE1-CD2 4.4Å; Y287-L293 HydrophobicContact CE2-CD2 3.42Å; Y287-L293 VanDerWaalsContact CE2-CD2 3.42Å; Y287-L293 HydrophobicContact CE2-CG 4.47Å; Y287-L293 VanDerWaalsContact CZ-CD2 3.49Å; Y287-L293 WeakPolarHBondContact OH-CD2 3.4Å; Y287-E297 WeakPolarHBondContact CE2-OE1 3.25Å; Y287-E297 PolarHBondContact OH-OE1 2.76Å | ||
| 288 | K | 96.1 | Very high | 95 | Very high | 171 Ų | 171 | 46.9 Ų | 46.9 | 74% | 0.743 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.7 | 179.8 | -72.7 | 178 | -168.3 | 160.1 | 0 | 114.4 | E151 G290 | E151-K288 HydrophobicContact CG-CD 4.46Å; E151-K288 HydrophobicContact CG-CG 4.49Å; E151-K288 WeakPolarHBondContact OE1-CD 3.37Å; E151-K288 IonicContact OE1-NZ 2.76Å; E151-K288 WeakPolarHBondContact OE2-CG 3.46Å; E151-K288 PolarHBondContact OE2-N 3.02Å; K288-G290 PolarHBondContact O-N 3.34Å |
| 289 | D | 95.9 | Very high | 95.5 | Very high | 123 Ų | 123 | 46.7 Ų | 46.7 | 66% | 0.658 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.1 | 175.5 | 65.6 | 0.4 | 0 | 0 | 0 | 113.2 | Y287 R291 | Y287-D289 VanDerWaalsContact CB-OD1 3.29Å; Y287-D289 WeakPolarHBondContact CB-OD1 3.23Å; Y287-D289 PolarHBondContact O-N 3.36Å; Y287-D289 VanDerWaalsContact O-N 3.17Å; D289-R291 VanDerWaalsContact C-N 3.34Å; D289-R291 WeakPolarHBondContact OD1-CB 3.12Å; D289-R291 PolarHBondContact OD1-N 2.88Å |
| 290 | G | 96.4 | Very high | 95.8 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 87.3 | -3.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y287 K288 | Y287-G290 PolarHBondContact O-N 3.17Å; K288-G290 PolarHBondContact O-N 3.34Å |
| 291 | R | 97.4 | Very high | 96.1 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 129.9 | 179.8 | -173 | 178.9 | 63.2 | 87 | -15 | 110.5 | T286 Y287 D289 E297 | T286-R291 WeakPolarHBondContact CA-O 3.41Å; Y287-R291 HydrophobicContact CD2-CB 4.45Å; Y287-R291 WeakPolarHBondContact CD2-O 3.24Å; Y287-R291 PolarHBondContact N-O 3.17Å; D289-R291 VanDerWaalsContact C-N 3.34Å; D289-R291 WeakPolarHBondContact OD1-CB 3.12Å; D289-R291 PolarHBondContact OD1-N 2.88Å; R291-E297 IonicContact CZ-OE1 2.73Å; R291-E297 IonicContact CZ-OE2 2.98Å; R291-E297 IonicContact NH1-OE1 3.17Å; R291-E297 PolarHBondContact NH1-OE1 3.43Å; R291-E297 IonicContact NH1-OE2 3.85Å; R291-E297 PolarHBondContact NH1-OE2 3.09Å; R291-E297 IonicContact NH2-OE1 3.36Å; R291-E297 PolarHBondContact NH2-OE1 3.35Å; R291-E297 IonicContact NH2-OE2 3.3Å |
| 292 | P | 97.3 | Very high | 96.3 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -71.2 | 160.5 | 171.4 | 30.5 | -34.9 | 0 | 0 | 0 | 111.6 | T286 | T286-P292 HydrophobicContact CG2-CB 4.48Å |
| 293 | L | 97.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -66 | 134.4 | 170 | -67.9 | 176.4 | 0 | 0 | 0 | 110.6 | M155 L282 A285 Y287 E297 I298 M301 | M155-L293 HydrophobicContact SD-CD1 3.92Å; M155-L293 HydrophobicContact SD-CD2 4.02Å; M155-L293 HydrophobicContact SD-CG 4.16Å; L282-L293 HydrophobicContact CB-CD1 4.29Å; L282-L293 HydrophobicContact CD2-CD1 4Å; L282-L293 WeakPolarHBondContact O-CD1 3.35Å; A285-L293 HydrophobicContact CB-CD1 4.06Å; A285-L293 HydrophobicContact CB-CG 4.47Å; A285-L293 PolarHBondContact O-N 3.39Å; Y287-L293 HydrophobicContact CD2-CD2 4.31Å; Y287-L293 HydrophobicContact CE1-CD2 4.4Å; Y287-L293 HydrophobicContact CE2-CD2 3.42Å; Y287-L293 VanDerWaalsContact CE2-CD2 3.42Å; Y287-L293 HydrophobicContact CE2-CG 4.47Å; Y287-L293 VanDerWaalsContact CZ-CD2 3.49Å; Y287-L293 WeakPolarHBondContact OH-CD2 3.4Å; L293-E297 HydrophobicContact CD2-CB 4.15Å; L293-I298 HydrophobicContact CB-CD1 4.06Å; L293-I298 HydrophobicContact CB-CG1 3.61Å; L293-I298 HydrophobicContact CD1-CG1 4.09Å; L293-I298 HydrophobicContact CG-CG1 4.49Å; L293-M301 HydrophobicContact CD1-SD 3.96Å; L293-M301 HydrophobicContact CD2-SD 4.22Å |
| 294 | T | 97.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -72.8 | 156.5 | 168.2 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | D296 E297 I298 | T294-D296 PolarHBondContact O-N 3.01Å; T294-E297 WeakPolarHBondContact CB-OE2 3.5Å; T294-E297 PolarHBondContact N-OE2 2.99Å; T294-E297 WeakPolarHBondContact O-CB 3.2Å; T294-E297 PolarHBondContact O-N 3.01Å; T294-E297 VanDerWaalsContact O-N 3.07Å; T294-E297 WeakPolarHBondContact OG1-CB 3.29Å; T294-E297 VanDerWaalsContact OG1-CG 3.27Å; T294-E297 WeakPolarHBondContact OG1-CG 3.37Å; T294-E297 PolarHBondContact OG1-N 2.84Å; T294-E297 PolarHBondContact OG1-OE2 2.83Å; T294-I298 WeakPolarHBondContact O-CG1 3.49Å; T294-I298 PolarHBondContact O-N 2.79Å |
| 295 | D | 96.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -32.7 | 179.5 | -65 | 8.6 | 0 | 0 | 0 | 111.8 | F262 I265 R269 I298 A299 | F262-D295 HydrophobicContact CD1-CB 3.94Å; F262-D295 HydrophobicContact CE1-CB 4.11Å; F262-D295 WeakPolarHBondContact CE1-O 3.44Å; I265-D295 HydrophobicContact CD1-CB 4.43Å; R269-D295 IonicContact CZ-OD1 3.8Å; R269-D295 VanDerWaalsContact CZ-OD1 3.26Å; R269-D295 IonicContact NH1-OD1 3.63Å; R269-D295 PolarHBondContact NH1-OD1 3.42Å; R269-D295 IonicContact NH1-OD2 2.89Å; R269-D295 IonicContact NH2-OD1 2.81Å; R269-D295 PolarHBondContact NH2-OD1 3.06Å; D295-I298 PolarHBondContact O-N 3.44Å; D295-A299 VanDerWaalsContact O-CB 3.23Å; D295-A299 WeakPolarHBondContact O-CB 3.48Å; D295-A299 PolarHBondContact O-N 3.42Å |
| 296 | D | 97.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 39.9 Ų | 39.9 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 175.5 | -161.3 | 71.3 | 0 | 0 | 0 | 112.4 | K258 F262 T294 G300 | K258-D296 WeakPolarHBondContact CD-OD1 3.19Å; K258-D296 WeakPolarHBondContact CE-OD1 3.49Å; K258-D296 IonicContact NZ-OD1 3.21Å; K258-D296 PolarHBondContact NZ-OD1 2.94Å; K258-D296 IonicContact NZ-OD2 3.46Å; K258-D296 PolarHBondContact NZ-OD2 3.49Å; F262-D296 HydrophobicContact CZ-CB 4.41Å; T294-D296 PolarHBondContact O-N 3.01Å; D296-G300 PolarHBondContact O-N 3.02Å |
| 297 | E | 98.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 173.2 | -74 | 166.3 | 128.2 | 0 | 0 | 110.8 | V140 Y287 R291 L293 T294 A299 G300 M301 | V140-E297 HydrophobicContact CG1-CB 4.21Å; V140-E297 HydrophobicContact CG1-CG 4.41Å; V140-E297 WeakPolarHBondContact CG1-O 3.48Å; Y287-E297 WeakPolarHBondContact CE2-OE1 3.25Å; Y287-E297 PolarHBondContact OH-OE1 2.76Å; R291-E297 IonicContact CZ-OE1 2.73Å; R291-E297 IonicContact CZ-OE2 2.98Å; R291-E297 IonicContact NH1-OE1 3.17Å; R291-E297 PolarHBondContact NH1-OE1 3.43Å; R291-E297 IonicContact NH1-OE2 3.85Å; R291-E297 PolarHBondContact NH1-OE2 3.09Å; R291-E297 IonicContact NH2-OE1 3.36Å; R291-E297 PolarHBondContact NH2-OE1 3.35Å; R291-E297 IonicContact NH2-OE2 3.3Å; L293-E297 HydrophobicContact CD2-CB 4.15Å; T294-E297 WeakPolarHBondContact CB-OE2 3.5Å; T294-E297 PolarHBondContact N-OE2 2.99Å; T294-E297 WeakPolarHBondContact O-CB 3.2Å; T294-E297 PolarHBondContact O-N 3.01Å; T294-E297 VanDerWaalsContact O-N 3.07Å; T294-E297 WeakPolarHBondContact OG1-CB 3.29Å; T294-E297 VanDerWaalsContact OG1-CG 3.27Å; T294-E297 WeakPolarHBondContact OG1-CG 3.37Å; T294-E297 PolarHBondContact OG1-N 2.84Å; T294-E297 PolarHBondContact OG1-OE2 2.83Å; E297-A299 PolarHBondContact O-N 3.37Å; E297-G300 PolarHBondContact O-N 3.11Å; E297-M301 WeakPolarHBondContact O-CB 3.46Å; E297-M301 VanDerWaalsContact O-CG 3.25Å; E297-M301 WeakPolarHBondContact O-CG 3.41Å; E297-M301 PolarHBondContact O-N 2.92Å |
| 298 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 177.5 | -62.8 | 172.5 | 0 | 0 | 0 | 109.9 | I265 L279 L282 I283 L293 T294 D295 G300 M301 L302 | I265-I298 HydrophobicContact CD1-CB 3.93Å; I265-I298 HydrophobicContact CD1-CG2 3.63Å; I265-I298 HydrophobicContact CG1-CG2 4.16Å; L279-I298 HydrophobicContact CD1-CG2 4.26Å; L282-I298 HydrophobicContact CB-CG1 4.39Å; L282-I298 HydrophobicContact CB-CG2 4.12Å; L282-I298 HydrophobicContact CD1-CG2 4.31Å; I283-I298 HydrophobicContact CG1-CD1 4.16Å; L293-I298 HydrophobicContact CB-CD1 4.06Å; L293-I298 HydrophobicContact CB-CG1 3.61Å; L293-I298 HydrophobicContact CD1-CG1 4.09Å; L293-I298 HydrophobicContact CG-CG1 4.49Å; T294-I298 WeakPolarHBondContact O-CG1 3.49Å; T294-I298 PolarHBondContact O-N 2.79Å; D295-I298 PolarHBondContact O-N 3.44Å; I298-G300 VanDerWaalsContact C-N 3.32Å; I298-G300 PolarHBondContact O-N 3.01Å; I298-M301 PolarHBondContact O-N 3Å; I298-L302 HydrophobicContact CG2-CD1 3.98Å; I298-L302 HydrophobicContact CG2-CG 4.37Å; I298-L302 VanDerWaalsContact O-CG 3.31Å; I298-L302 WeakPolarHBondContact O-CG 3.4Å; I298-L302 PolarHBondContact O-N 3.38Å |
| 299 | A | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K258 F261 F262 D295 E297 L302 I303 | K258-A299 HydrophobicContact CG-CB 4.07Å; F261-A299 HydrophobicContact CB-CB 3.85Å; F261-A299 HydrophobicContact CD2-CB 3.99Å; F261-A299 HydrophobicContact CG-CB 4.45Å; F262-A299 HydrophobicContact CD1-CB 4.2Å; F262-A299 HydrophobicContact CE1-CB 3.75Å; D295-A299 VanDerWaalsContact O-CB 3.23Å; D295-A299 WeakPolarHBondContact O-CB 3.48Å; D295-A299 PolarHBondContact O-N 3.42Å; E297-A299 PolarHBondContact O-N 3.37Å; A299-L302 PolarHBondContact O-N 3.5Å; A299-I303 WeakPolarHBondContact O-CG1 3.45Å; A299-I303 PolarHBondContact O-N 3.17Å |
| 300 | G | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | F136 D296 E297 I298 I303 G304 | F136-G300 WeakPolarHBondContact O-CA 3.37Å; D296-G300 PolarHBondContact O-N 3.02Å; E297-G300 PolarHBondContact O-N 3.11Å; I298-G300 VanDerWaalsContact C-N 3.32Å; I298-G300 PolarHBondContact O-N 3.01Å; G300-I303 PolarHBondContact O-N 3.32Å; G300-G304 PolarHBondContact O-N 2.84Å |
| 301 | M | 97 | Very high | 94.5 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.044 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 174.3 | -71.3 | 174.9 | 70.5 | 0 | 0 | 111.8 | V140 Q152 M155 L156 L282 L293 E297 I298 G304 L305 | V140-M301 HydrophobicContact CB-CG 4.38Å; V140-M301 HydrophobicContact CG1-CG 3.83Å; Q152-M301 HydrophobicContact CB-CE 3.83Å; Q152-M301 HydrophobicContact CB-SD 4.22Å; Q152-M301 HydrophobicContact CG-CE 4.26Å; Q152-M301 HydrophobicContact CG-SD 4.03Å; Q152-M301 WeakPolarHBondContact O-CE 3.34Å; M155-M301 HydrophobicContact CB-CE 4.46Å; L156-M301 HydrophobicContact CD1-CE 3.94Å; L156-M301 HydrophobicContact CD2-CE 3.94Å; L156-M301 HydrophobicContact CG-CE 3.56Å; L282-M301 HydrophobicContact CD1-CB 4.37Å; L282-M301 HydrophobicContact CD2-CE 3.58Å; L282-M301 HydrophobicContact CD2-SD 4.35Å; L293-M301 HydrophobicContact CD1-SD 3.96Å; L293-M301 HydrophobicContact CD2-SD 4.22Å; E297-M301 WeakPolarHBondContact O-CB 3.46Å; E297-M301 VanDerWaalsContact O-CG 3.25Å; E297-M301 WeakPolarHBondContact O-CG 3.41Å; E297-M301 PolarHBondContact O-N 2.92Å; I298-M301 PolarHBondContact O-N 3Å; M301-G304 PolarHBondContact O-N 3.21Å; M301-L305 VanDerWaalsContact O-CB 3.3Å; M301-L305 WeakPolarHBondContact O-CB 3.33Å; M301-L305 PolarHBondContact O-N 3.31Å |
| 302 | L | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 175.4 | -68.1 | 170.5 | 0 | 0 | 0 | 112.2 | H208 I212 F261 I278 L279 L282 I298 A299 L305 L306 | H208-L302 PolarHBondContact NE2-O 2.6Å; I212-L302 HydrophobicContact CD1-CD1 4.13Å; F261-L302 HydrophobicContact CD2-CB 3.98Å; F261-L302 HydrophobicContact CD2-CD1 4.22Å; F261-L302 HydrophobicContact CE2-CB 3.62Å; F261-L302 HydrophobicContact CG-CD1 4.27Å; F261-L302 HydrophobicContact CZ-CB 4.15Å; I278-L302 HydrophobicContact CG2-CD2 4.47Å; L279-L302 HydrophobicContact CD1-CD1 3.97Å; L282-L302 HydrophobicContact CD1-CD2 3.94Å; L282-L302 HydrophobicContact CD1-CG 4.23Å; I298-L302 HydrophobicContact CG2-CD1 3.98Å; I298-L302 HydrophobicContact CG2-CG 4.37Å; I298-L302 VanDerWaalsContact O-CG 3.31Å; I298-L302 WeakPolarHBondContact O-CG 3.4Å; I298-L302 PolarHBondContact O-N 3.38Å; A299-L302 PolarHBondContact O-N 3.5Å; L302-L305 PolarHBondContact O-N 3.2Å; L302-L306 PolarHBondContact O-N 2.86Å; L302-L306 VanDerWaalsContact O-N 3.17Å |
| 303 | I | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.7 | -50.8 | 173.1 | -65.7 | 173.9 | 0 | 0 | 0 | 109.7 | F136 L227 I257 K258 F261 A299 G300 L305 L306 L307 | F136-I303 HydrophobicContact CD1-CG2 4.16Å; L227-I303 HydrophobicContact CD1-CG2 3.94Å; I257-I303 HydrophobicContact CG2-CD1 3.97Å; I257-I303 HydrophobicContact CG2-CG1 3.8Å; K258-I303 HydrophobicContact CG-CD1 4.05Å; F261-I303 HydrophobicContact CD2-CG1 4.24Å; F261-I303 HydrophobicContact CE2-CG1 3.67Å; A299-I303 WeakPolarHBondContact O-CG1 3.45Å; A299-I303 PolarHBondContact O-N 3.17Å; G300-I303 PolarHBondContact O-N 3.32Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 3.29Å; I303-L306 PolarHBondContact O-N 3.17Å; I303-L307 HydrophobicContact CG2-CD1 3.82Å; I303-L307 HydrophobicContact CG2-CG 4.48Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 2.71Å; I303-L307 VanDerWaalsContact O-N 3.13Å |
| 304 | G | 93.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 16% | 0.155 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.6 | -40.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G300 M301 A308 | G300-G304 PolarHBondContact O-N 2.84Å; M301-G304 PolarHBondContact O-N 3.21Å; G304-A308 VanDerWaalsContact O-CB 3.23Å; G304-A308 WeakPolarHBondContact O-CB 3.39Å; G304-A308 PolarHBondContact O-N 3.45Å |
| 305 | L | 92.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 16.3 Ų | 16.3 | 9% | 0.094 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | -178.8 | -172.1 | 61.3 | 0 | 0 | 0 | 112.4 | L156 L207 I278 M301 L302 I303 G309 | L156-L305 HydrophobicContact CD2-CD1 4.44Å; L156-L305 HydrophobicContact CD2-CD2 4.09Å; L207-L305 HydrophobicContact CB-CD2 3.73Å; L207-L305 HydrophobicContact CB-CG 4.09Å; L207-L305 HydrophobicContact CD1-CD1 4.18Å; L207-L305 HydrophobicContact CD1-CD2 4.3Å; L207-L305 HydrophobicContact CD1-CG 3.82Å; L207-L305 HydrophobicContact CD2-CD2 4.38Å; L207-L305 HydrophobicContact CG-CD2 4.35Å; L207-L305 HydrophobicContact CG-CG 4.41Å; I278-L305 HydrophobicContact CG2-CD2 3.77Å; M301-L305 VanDerWaalsContact O-CB 3.3Å; M301-L305 WeakPolarHBondContact O-CB 3.33Å; M301-L305 PolarHBondContact O-N 3.31Å; L302-L305 PolarHBondContact O-N 3.2Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 3.29Å; L305-G309 PolarHBondContact O-N 2.86Å |
| 306 | L | 90.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.8 | -46.4 | 177.7 | -174.6 | 65.7 | 0 | 0 | 0 | 111.8 | I200 A203 H208 Y224 L302 I303 A308 G309 Q310 | I200-L306 HydrophobicContact CD1-CD2 4.46Å; I200-L306 HydrophobicContact CG1-CD1 4.29Å; I200-L306 HydrophobicContact CG1-CD2 4.14Å; A203-L306 HydrophobicContact CB-CD1 3.67Å; H208-L306 VanDerWaalsContact CE1-CB 3.46Å; H208-L306 WeakPolarHBondContact CE1-CB 3.42Å; Y224-L306 HydrophobicContact CD1-CD2 3.96Å; Y224-L306 HydrophobicContact CD2-CD2 4.12Å; Y224-L306 HydrophobicContact CE1-CD2 3.42Å; Y224-L306 VanDerWaalsContact CE1-CD2 3.42Å; Y224-L306 HydrophobicContact CE1-CG 4.49Å; Y224-L306 HydrophobicContact CE2-CD2 3.55Å; Y224-L306 HydrophobicContact CG-CD2 4.29Å; Y224-L306 WeakPolarHBondContact OH-CD2 3.36Å; L302-L306 PolarHBondContact O-N 2.86Å; L302-L306 VanDerWaalsContact O-N 3.17Å; I303-L306 PolarHBondContact O-N 3.17Å; L306-A308 VanDerWaalsContact C-N 3.27Å; L306-A308 PolarHBondContact O-N 2.92Å; L306-G309 PolarHBondContact O-N 3.48Å; L306-Q310 WeakPolarHBondContact O-CB 3.43Å; L306-Q310 PolarHBondContact O-N 3.04Å |
| 307 | L | 89.3 | Confident | 94.6 | Very high | 10 Ų | 10 | 11.4 Ų | 11.4 | 5% | 0.052 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63 | -36.4 | 179.3 | -68.8 | 178.2 | 0 | 0 | 0 | 111.9 | V135 F136 Y224 D228 F231 I303 | V135-L307 HydrophobicContact CG1-CD1 3.48Å; V135-L307 VanDerWaalsContact CG1-CD1 3.48Å; F136-L307 HydrophobicContact CD1-CD1 4.21Å; F136-L307 HydrophobicContact CE1-CB 4.3Å; F136-L307 HydrophobicContact CE1-CD1 3.8Å; Y224-L307 HydrophobicContact CD1-CD2 4.34Å; D228-L307 WeakPolarHBondContact OD1-CD2 3.32Å; F231-L307 HydrophobicContact CE2-CD1 4.18Å; I303-L307 HydrophobicContact CG2-CD1 3.82Å; I303-L307 HydrophobicContact CG2-CG 4.48Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 2.71Å; I303-L307 VanDerWaalsContact O-N 3.13Å |
| 308 | A | 90.8 | Very high | 94.7 | Very high | 58 Ų | 58 | 10.8 Ų | 10.8 | 48% | 0.479 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | G304 L306 T312 | G304-A308 VanDerWaalsContact O-CB 3.23Å; G304-A308 WeakPolarHBondContact O-CB 3.39Å; G304-A308 PolarHBondContact O-N 3.45Å; L306-A308 VanDerWaalsContact C-N 3.27Å; L306-A308 PolarHBondContact O-N 2.92Å; A308-T312 PolarHBondContact O-OG1 3.48Å |
| 309 | G | 89.4 | Confident | 94.8 | Very high | 9 Ų | 9 | 11 Ų | 11 | 9% | 0.093 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -74.9 | -25.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L305 L306 S313 | L305-G309 PolarHBondContact O-N 2.86Å; L306-G309 PolarHBondContact O-N 3.48Å; G309-S313 VanDerWaalsContact O-CB 3.26Å; G309-S313 WeakPolarHBondContact O-CB 3.47Å; G309-S313 PolarHBondContact O-OG 3.24Å |
| 310 | Q | 90.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 11 Ų | 11 | 8% | 0.075 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -77.4 | -63 | -171.9 | 174.1 | 60.2 | 5.4 | 0 | 0 | 113.5 | S196 L306 S314 | S196-Q310 PolarHBondContact O-NE2 3.49Å; L306-Q310 WeakPolarHBondContact O-CB 3.43Å; L306-Q310 PolarHBondContact O-N 3.04Å; Q310-S314 VanDerWaalsContact O-CB 3.31Å; Q310-S314 WeakPolarHBondContact O-CB 3.34Å; Q310-S314 PolarHBondContact O-N 3.43Å; Q310-S314 PolarHBondContact O-OG 3.27Å |
| 311 | H | 89.4 | Confident | 95 | Very high | 44 Ų | 44 | 11 Ų | 11 | 20% | 0.204 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.8 | -36.8 | -169.2 | -65 | -62 | 0 | 0 | 0 | 112.8 | D228 S314 T315 I482 | D228-H311 VanDerWaalsContact CG-CE1 3.46Å; D228-H311 IonicContact OD1-CD2 3.01Å; D228-H311 IonicContact OD1-CE1 2.62Å; D228-H311 IonicContact OD1-NE2 3.71Å; D228-H311 PolarHBondContact OD1-NE2 3.41Å; D228-H311 IonicContact OD2-CE1 3.56Å; D228-H311 PolarHBondContact OD2-CE1 3.35Å; D228-H311 IonicContact OD2-NE2 3.43Å; D228-H311 PolarHBondContact OD2-NE2 2.84Å; H311-S314 PolarHBondContact O-OG 3.5Å; H311-T315 WeakPolarHBondContact O-CG2 3.24Å; H311-T315 PolarHBondContact O-N 2.96Å; H311-T315 PolarHBondContact O-OG1 3.4Å; H311-I482 HydrophobicContact CB-CD1 3.27Å |
| 312 | T | 96.1 | Very high | 95.1 | Very high | 41 Ų | 41 | 10.5 Ų | 10.5 | 25% | 0.252 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -67.2 | -46.7 | -179.5 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | A308 T315 T316 P373 | A308-T312 PolarHBondContact O-OG1 3.48Å; T312-T315 PolarHBondContact O-OG1 3.37Å; T312-T316 VanDerWaalsContact O-CB 3.29Å; T312-T316 WeakPolarHBondContact O-CB 3.46Å; T312-T316 PolarHBondContact O-N 2.89Å; T312-T316 PolarHBondContact O-OG1 2.66Å; T312-P373 HydrophobicContact CG2-CB 4.23Å; T312-P373 HydrophobicContact CG2-CG 4.01Å |
| 313 | S | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -71.4 | -38.4 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 113 | G309 S317 Q452 | G309-S313 VanDerWaalsContact O-CB 3.26Å; G309-S313 WeakPolarHBondContact O-CB 3.47Å; G309-S313 PolarHBondContact O-OG 3.24Å; S313-S317 WeakPolarHBondContact O-CB 3.33Å; S313-S317 PolarHBondContact O-N 2.9Å; S313-S317 PolarHBondContact O-OG 2.62Å; S313-Q452 VanDerWaalsContact CB-OE1 3.26Å; S313-Q452 PolarHBondContact OG-OE1 3.32Å |
| 314 | S | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.4 | -45 | -177.4 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | Q310 H311 S317 A318 | Q310-S314 VanDerWaalsContact O-CB 3.31Å; Q310-S314 WeakPolarHBondContact O-CB 3.34Å; Q310-S314 PolarHBondContact O-N 3.43Å; Q310-S314 PolarHBondContact O-OG 3.27Å; H311-S314 PolarHBondContact O-OG 3.5Å; S314-S317 PolarHBondContact O-N 3.02Å; S314-A318 WeakPolarHBondContact O-CB 3.47Å; S314-A318 PolarHBondContact O-N 3.34Å |
| 315 | T | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 175 | 52.1 | 0 | 0 | 0 | 0 | 112 | F192 H311 T312 S317 A318 W319 I482 T484 | F192-T315 HydrophobicContact CD2-CG2 4.4Å; F192-T315 HydrophobicContact CE2-CG2 3.48Å; F192-T315 VanDerWaalsContact CE2-CG2 3.48Å; F192-T315 HydrophobicContact CZ-CG2 3.94Å; H311-T315 WeakPolarHBondContact O-CG2 3.24Å; H311-T315 PolarHBondContact O-N 2.96Å; H311-T315 PolarHBondContact O-OG1 3.4Å; T312-T315 PolarHBondContact O-OG1 3.37Å; T315-S317 PolarHBondContact O-N 2.85Å; T315-A318 PolarHBondContact O-N 3.37Å; T315-W319 PolarHBondContact O-N 3.13Å; T315-I482 HydrophobicContact CG2-CG2 3.75Å; T315-T484 HydrophobicContact CG2-CG2 3.87Å |
| 316 | T | 98.8 | Very high | 96 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | T312 A318 W319 L320 L364 T367 L368 I453 | T312-T316 VanDerWaalsContact O-CB 3.29Å; T312-T316 WeakPolarHBondContact O-CB 3.46Å; T312-T316 PolarHBondContact O-N 2.89Å; T312-T316 PolarHBondContact O-OG1 2.66Å; T316-A318 PolarHBondContact O-N 3.21Å; T316-W319 PolarHBondContact O-N 3.38Å; T316-L320 WeakPolarHBondContact O-CB 3.47Å; T316-L320 PolarHBondContact O-N 2.99Å; T316-L364 HydrophobicContact CG2-CD1 3.5Å; T316-T367 HydrophobicContact CG2-CG2 4.01Å; T316-T367 WeakPolarHBondContact O-CG2 3.1Å; T316-L368 HydrophobicContact CG2-CD2 3.65Å; T316-L368 HydrophobicContact CG2-CG 3.9Å; T316-I453 HydrophobicContact CG2-CD1 3.94Å |
| 317 | S | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 179 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | S313 S314 T315 L320 G321 W457 | S313-S317 WeakPolarHBondContact O-CB 3.33Å; S313-S317 PolarHBondContact O-N 2.9Å; S313-S317 PolarHBondContact O-OG 2.62Å; S314-S317 PolarHBondContact O-N 3.02Å; T315-S317 PolarHBondContact O-N 2.85Å; S317-L320 PolarHBondContact O-N 3.28Å; S317-G321 PolarHBondContact O-N 2.97Å; S317-G321 VanDerWaalsContact O-N 3.08Å; S317-W457 VanDerWaalsContact O-CE2 3.27Å; S317-W457 WeakPolarHBondContact O-CZ2 3.43Å; S317-W457 PolarHBondContact O-NE1 2.88Å |
| 318 | A | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F192 L195 S314 T315 T316 L320 G321 F322 P485 | F192-A318 HydrophobicContact CB-CB 4.03Å; F192-A318 HydrophobicContact CD2-CB 3.95Å; F192-A318 HydrophobicContact CG-CB 4.45Å; L195-A318 HydrophobicContact CD1-CB 4.08Å; S314-A318 WeakPolarHBondContact O-CB 3.47Å; S314-A318 PolarHBondContact O-N 3.34Å; T315-A318 PolarHBondContact O-N 3.37Å; T316-A318 PolarHBondContact O-N 3.21Å; A318-L320 PolarHBondContact O-N 3.42Å; A318-G321 PolarHBondContact O-N 2.9Å; A318-G321 VanDerWaalsContact O-N 3.15Å; A318-F322 WeakPolarHBondContact O-CD2 3.47Å; A318-F322 PolarHBondContact O-N 3.28Å; A318-F322 VanDerWaalsContact O-N 3.15Å; A318-P485 HydrophobicContact CB-CG 4.14Å |
| 319 | W | 98.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 176.7 | -75.7 | 121.1 | 0 | 0 | 0 | 112.7 | T315 T316 G321 F322 F323 T367 R371 F473 P474 I476 P485 | T315-W319 PolarHBondContact O-N 3.13Å; T316-W319 PolarHBondContact O-N 3.38Å; W319-G321 PolarHBondContact O-N 3.2Å; W319-F322 PolarHBondContact O-N 3.37Å; W319-F323 HydrophobicContact CB-CD2 4.46Å; W319-F323 HydrophobicContact CB-CE2 4.25Å; W319-F323 WeakPolarHBondContact O-CD2 3.34Å; W319-F323 PolarHBondContact O-N 3.2Å; W319-T367 HydrophobicContact CB-CG2 3.77Å; W319-R371 HydrophobicContact CB-CB 4.08Å; W319-R371 HydrophobicContact CB-CG 4.09Å; W319-R371 HydrophobicContact CD2-CB 4.2Å; W319-R371 HydrophobicContact CD2-CG 3.66Å; W319-R371 HydrophobicContact CE3-CG 4.14Å; W319-R371 HydrophobicContact CG-CB 3.68Å; W319-R371 HydrophobicContact CG-CG 3.62Å; W319-F473 HydrophobicContact CE3-CE1 4.31Å; W319-F473 HydrophobicContact CE3-CZ 4.25Å; W319-F473 AromaticContact CZ3-CE1 3.76Å; W319-F473 HydrophobicContact CZ3-CE1 3.76Å; W319-F473 HydrophobicContact CZ3-CZ 4.15Å; W319-P474 HydrophobicContact CH2-CB 4.14Å; W319-P474 WeakPolarHBondContact CH2-O 3.34Å; W319-P474 HydrophobicContact CZ3-CB 3.98Å; W319-P474 WeakPolarHBondContact CZ3-O 3.37Å; W319-I476 HydrophobicContact CH2-CG1 3.99Å; W319-I476 HydrophobicContact CZ2-CG1 3.97Å; W319-P485 HydrophobicContact CD2-CB 4.36Å; W319-P485 HydrophobicContact CE3-CB 4.37Å; W319-P485 HydrophobicContact CH2-CB 3.74Å; W319-P485 VanDerWaalsContact CZ2-CA 3.48Å; W319-P485 HydrophobicContact CZ2-CB 3.73Å; W319-P485 HydrophobicContact CZ3-CB 4.07Å |
| 320 | L | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.2 | -42.8 | 174.4 | 174.7 | 56.1 | 0 | 0 | 0 | 110.9 | T316 S317 A318 F322 F323 L324 L360 C363 T367 F418 I453 W457 | T316-L320 WeakPolarHBondContact O-CB 3.47Å; T316-L320 PolarHBondContact O-N 2.99Å; S317-L320 PolarHBondContact O-N 3.28Å; A318-L320 PolarHBondContact O-N 3.42Å; L320-F322 PolarHBondContact O-N 2.96Å; L320-F323 PolarHBondContact O-N 2.85Å; L320-L324 HydrophobicContact CD1-CD1 3.81Å; L320-L324 HydrophobicContact CD1-CD2 4.47Å; L320-L324 HydrophobicContact CD1-CG 3.89Å; L320-L324 HydrophobicContact CG-CD1 4.02Å; L320-L324 HydrophobicContact CG-CG 4.48Å; L320-L324 WeakPolarHBondContact O-CG 3.36Å; L320-L324 PolarHBondContact O-N 3.42Å; L320-L360 HydrophobicContact CD2-CD1 4.47Å; L320-C363 HydrophobicContact CD1-CB 3.77Å; L320-T367 HydrophobicContact CB-CG2 4.08Å; L320-F418 HydrophobicContact CD1-CZ 4.48Å; L320-I453 HydrophobicContact CD2-CG2 4.24Å; L320-W457 HydrophobicContact CD2-CB 4.23Å; L320-W457 VanDerWaalsContact CD2-CD1 3.49Å; L320-W457 HydrophobicContact CD2-CD2 4.08Å; L320-W457 HydrophobicContact CD2-CG 3.63Å; L320-W457 HydrophobicContact CG-CD2 4.17Å; L320-W457 HydrophobicContact CG-CG 4.25Å |
| 321 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S317 A318 W319 L324 A325 W457 | S317-G321 PolarHBondContact O-N 2.97Å; S317-G321 VanDerWaalsContact O-N 3.08Å; A318-G321 PolarHBondContact O-N 2.9Å; A318-G321 VanDerWaalsContact O-N 3.15Å; W319-G321 PolarHBondContact O-N 3.2Å; G321-L324 PolarHBondContact O-N 3.42Å; G321-A325 VanDerWaalsContact O-CB 3.24Å; G321-A325 WeakPolarHBondContact O-CB 3.5Å; G321-A325 PolarHBondContact O-N 2.96Å; G321-W457 VanDerWaalsContact N-CZ2 3.3Å |
| 322 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 177.1 | -73.7 | -70.4 | 0 | 0 | 0 | 112.9 | L191 A318 W319 L320 A325 Q326 L468 F473 P474 P488 I490 | L191-F322 HydrophobicContact CB-CE2 4.47Å; L191-F322 HydrophobicContact CB-CZ 4.47Å; L191-F322 HydrophobicContact CD2-CE2 4.39Å; A318-F322 WeakPolarHBondContact O-CD2 3.47Å; A318-F322 PolarHBondContact O-N 3.28Å; A318-F322 VanDerWaalsContact O-N 3.15Å; W319-F322 PolarHBondContact O-N 3.37Å; L320-F322 PolarHBondContact O-N 2.96Å; F322-A325 PolarHBondContact O-N 3.14Å; F322-Q326 WeakPolarHBondContact O-CB 3.19Å; F322-Q326 PolarHBondContact O-N 3.49Å; F322-L468 HydrophobicContact CD1-CD2 3.79Å; F322-F473 HydrophobicContact CB-CD2 4.35Å; F322-F473 HydrophobicContact CB-CE2 3.89Å; F322-F473 HydrophobicContact CB-CZ 4.34Å; F322-P474 HydrophobicContact CD1-CG 3.51Å; F322-P474 HydrophobicContact CD2-CG 3.72Å; F322-P474 HydrophobicContact CE1-CG 3.53Å; F322-P474 HydrophobicContact CE2-CG 3.77Å; F322-P474 HydrophobicContact CG-CG 3.63Å; F322-P474 HydrophobicContact CZ-CG 3.69Å; F322-P488 HydrophobicContact CE2-CB 3.7Å; F322-P488 VanDerWaalsContact CZ-C 3.47Å; F322-P488 VanDerWaalsContact CZ-CA 3.49Å; F322-P488 HydrophobicContact CZ-CB 3.82Å; F322-I490 HydrophobicContact CD1-CD1 4.41Å; F322-I490 HydrophobicContact CE1-CB 4.11Å; F322-I490 HydrophobicContact CE1-CD1 4.3Å; F322-I490 HydrophobicContact CE1-CG1 4.18Å; F322-I490 HydrophobicContact CZ-CB 4.22Å |
| 323 | F | 98.9 | Very high | 98.5 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 4% | 0.044 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 173.9 | -72.8 | -57.8 | 0 | 0 | 0 | 111.8 | W319 L320 Q326 D327 T367 L370 R371 F418 F473 | W319-F323 HydrophobicContact CB-CD2 4.46Å; W319-F323 HydrophobicContact CB-CE2 4.25Å; W319-F323 WeakPolarHBondContact O-CD2 3.34Å; W319-F323 PolarHBondContact O-N 3.2Å; L320-F323 PolarHBondContact O-N 2.85Å; F323-Q326 PolarHBondContact O-N 2.85Å; F323-D327 PolarHBondContact O-N 3.08Å; F323-D327 VanDerWaalsContact O-N 3.09Å; F323-T367 HydrophobicContact CD2-CG2 4.26Å; F323-T367 HydrophobicContact CE2-CG2 4.3Å; F323-L370 HydrophobicContact CE1-CD1 4.17Å; F323-L370 HydrophobicContact CE2-CB 4.46Å; F323-L370 HydrophobicContact CZ-CB 4.02Å; F323-L370 HydrophobicContact CZ-CD1 3.96Å; F323-R371 HydrophobicContact CE2-CG 3.94Å; F323-R371 HydrophobicContact CZ-CG 4.07Å; F323-F418 HydrophobicContact CB-CD1 3.94Å; F323-F418 HydrophobicContact CB-CD2 3.76Å; F323-F418 HydrophobicContact CB-CE1 3.82Å; F323-F418 HydrophobicContact CB-CE2 3.66Å; F323-F418 HydrophobicContact CB-CG 3.91Å; F323-F418 HydrophobicContact CB-CZ 3.7Å; F323-F418 HydrophobicContact CD1-CB 3.69Å; F323-F418 HydrophobicContact CD1-CD1 4.38Å; F323-F418 AromaticContact CD1-CD2 3.43Å; F323-F418 HydrophobicContact CD1-CD2 3.43Å; F323-F418 VanDerWaalsContact CD1-CD2 3.43Å; F323-F418 HydrophobicContact CD1-CE2 4.15Å; F323-F418 AromaticContact CD1-CG 3.58Å; F323-F418 HydrophobicContact CD1-CG 3.58Å; F323-F418 AromaticContact CD2-CD2 3.45Å; F323-F418 HydrophobicContact CD2-CD2 3.45Å; F323-F418 VanDerWaalsContact CD2-CD2 3.45Å; F323-F418 AromaticContact CD2-CE2 3.39Å; F323-F418 HydrophobicContact CD2-CE2 3.39Å; F323-F418 HydrophobicContact CD2-CG 4.35Å; F323-F418 HydrophobicContact CD2-CZ 4.24Å; F323-F418 HydrophobicContact CE1-CB 3.94Å; F323-F418 AromaticContact CE1-CD2 3.78Å; F323-F418 HydrophobicContact CE1-CD2 3.78Å; F323-F418 HydrophobicContact CE1-CG 4.13Å; F323-F418 AromaticContact CE2-CD2 3.8Å; F323-F418 HydrophobicContact CE2-CD2 3.8Å; F323-F418 HydrophobicContact CE2-CE2 4.01Å; F323-F418 HydrophobicContact CG-CB 4.34Å; F323-F418 HydrophobicContact CG-CD1 4.27Å; F323-F418 AromaticContact CG-CD2 3.26Å; F323-F418 HydrophobicContact CG-CD2 3.26Å; F323-F418 HydrophobicContact CG-CE1 4.42Å; F323-F418 AromaticContact CG-CE2 3.48Å; F323-F418 HydrophobicContact CG-CE2 3.48Å; F323-F418 VanDerWaalsContact CG-CE2 3.48Å; F323-F418 AromaticContact CG-CG 3.71Å; F323-F418 HydrophobicContact CG-CG 3.71Å; F323-F418 HydrophobicContact CG-CZ 4.08Å; F323-F418 AromaticContact CZ-CD2 3.95Å; F323-F418 HydrophobicContact CZ-CD2 3.95Å; F323-F473 AromaticContact CD1-CE2 3.81Å; F323-F473 HydrophobicContact CD1-CE2 3.81Å; F323-F473 AromaticContact CD1-CZ 3.71Å; F323-F473 HydrophobicContact CD1-CZ 3.71Å; F323-F473 HydrophobicContact CE1-CE1 4.45Å; F323-F473 HydrophobicContact CE1-CE2 4.07Å; F323-F473 AromaticContact CE1-CZ 3.5Å; F323-F473 HydrophobicContact CE1-CZ 3.5Å; F323-F473 HydrophobicContact CG-CE2 4.44Å; F323-F473 HydrophobicContact CG-CZ 4.39Å; F323-F473 HydrophobicContact CZ-CZ 4.03Å |
| 324 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.3 | -32.9 | 176 | -66.2 | 175.9 | 0 | 0 | 0 | 112.6 | L320 G321 Q326 D327 L330 Q331 W457 L461 | L320-L324 HydrophobicContact CD1-CD1 3.81Å; L320-L324 HydrophobicContact CD1-CD2 4.47Å; L320-L324 HydrophobicContact CD1-CG 3.89Å; L320-L324 HydrophobicContact CG-CD1 4.02Å; L320-L324 HydrophobicContact CG-CG 4.48Å; L320-L324 WeakPolarHBondContact O-CG 3.36Å; L320-L324 PolarHBondContact O-N 3.42Å; G321-L324 PolarHBondContact O-N 3.42Å; L324-Q326 VanDerWaalsContact C-N 3.33Å; L324-D327 CarbonylContact O-C 3.5Å; L324-L330 HydrophobicContact CD2-CD2 4.14Å; L324-L330 HydrophobicContact CD2-CG 4.1Å; L324-Q331 HydrophobicContact CB-CB 4.37Å; L324-Q331 HydrophobicContact CB-CG 4.28Å; L324-Q331 WeakPolarHBondContact O-CB 3.41Å; L324-Q331 PolarHBondContact O-NE2 3.29Å; L324-W457 HydrophobicContact CD1-CE3 4.03Å; L324-W457 HydrophobicContact CD1-CZ3 4.32Å; L324-L461 HydrophobicContact CD1-CD2 4.34Å |
| 325 | A | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.9 | -29 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G321 F322 F466 L468 I490 | G321-A325 VanDerWaalsContact O-CB 3.24Å; G321-A325 WeakPolarHBondContact O-CB 3.5Å; G321-A325 PolarHBondContact O-N 2.96Å; F322-A325 PolarHBondContact O-N 3.14Å; A325-F466 HydrophobicContact CB-CB 4.11Å; A325-L468 HydrophobicContact CB-CD2 3.87Å; A325-L468 HydrophobicContact CB-CG 4.33Å; A325-I490 HydrophobicContact CB-CD1 3.92Å; A325-I490 HydrophobicContact CB-CG1 4.36Å |
| 326 | Q | 98.4 | Very high | 98.6 | Very high | 112 Ų | 112 | 27.7 Ų | 27.7 | 52% | 0.523 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -72.7 | -42.4 | 174 | -171.8 | 174.4 | 33.4 | 0 | 0 | 111.9 | F322 F323 L324 L468 F473 | F322-Q326 WeakPolarHBondContact O-CB 3.19Å; F322-Q326 PolarHBondContact O-N 3.49Å; F323-Q326 PolarHBondContact O-N 2.85Å; L324-Q326 VanDerWaalsContact C-N 3.33Å; Q326-L468 HydrophobicContact CB-CD1 3.96Å; Q326-L468 HydrophobicContact CB-CG 4.49Å; Q326-L468 HydrophobicContact CG-CD1 4.11Å; Q326-F473 HydrophobicContact CB-CD2 4.25Å; Q326-F473 HydrophobicContact CG-CD2 4.46Å |
| 327 | D | 98.2 | Very high | 98.6 | Very high | 68 Ų | 68 | 29 Ų | 29 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | trans | -105.8 | 90.8 | 178 | -171.5 | -16.8 | 0 | 0 | 0 | 111.6 | F323 L324 A329 L330 Q331 | F323-D327 PolarHBondContact O-N 3.08Å; F323-D327 VanDerWaalsContact O-N 3.09Å; L324-D327 CarbonylContact O-C 3.5Å; D327-A329 PolarHBondContact O-N 3.13Å; D327-A329 PolarHBondContact OD1-N 2.88Å; D327-L330 HydrophobicContact CB-CB 3.89Å; D327-L330 PolarHBondContact O-N 3.14Å; D327-L330 PolarHBondContact OD1-N 2.92Å; D327-L330 WeakPolarHBondContact OD2-CB 3.46Å; D327-Q331 PolarHBondContact O-N 3.45Å | ||
| 328 | K | 97.1 | Very high | 98.6 | Very high | 56 Ų | 56 | 29 Ų | 29 | 24% | 0.243 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 179.5 | -70.4 | -56.9 | -157.3 | 147.7 | 0 | 114 | L330 Q331 D332 E465 F466 E467 | K328-L330 VanDerWaalsContact C-N 3.29Å; K328-L330 PolarHBondContact O-N 3.1Å; K328-Q331 WeakPolarHBondContact O-CB 3.37Å; K328-Q331 PolarHBondContact O-N 3.22Å; K328-D332 PolarHBondContact O-N 2.71Å; K328-E465 IonicContact NZ-OE1 3.22Å; K328-E465 PolarHBondContact NZ-OE1 3.45Å; K328-F466 WeakPolarHBondContact CE-O 3.43Å; K328-F466 PolarHBondContact NZ-O 3.13Å; K328-E467 IonicContact NZ-OE1 2.68Å |
| 329 | A | 98.3 | Very high | 98.5 | Very high | 65 Ų | 65 | 30.8 Ų | 30.8 | 54% | 0.537 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D327 R333 | D327-A329 PolarHBondContact O-N 3.13Å; D327-A329 PolarHBondContact OD1-N 2.88Å; A329-R333 VanDerWaalsContact O-CG 3.25Å; A329-R333 WeakPolarHBondContact O-CG 3.46Å; A329-R333 PolarHBondContact O-N 3.49Å |
| 330 | L | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 173.4 | -178.7 | 63.5 | 0 | 0 | 0 | 112.2 | L324 D327 K328 D332 R333 C334 L359 F418 P420 | L324-L330 HydrophobicContact CD2-CD2 4.14Å; L324-L330 HydrophobicContact CD2-CG 4.1Å; D327-L330 HydrophobicContact CB-CB 3.89Å; D327-L330 PolarHBondContact O-N 3.14Å; D327-L330 PolarHBondContact OD1-N 2.92Å; D327-L330 WeakPolarHBondContact OD2-CB 3.46Å; K328-L330 VanDerWaalsContact C-N 3.29Å; K328-L330 PolarHBondContact O-N 3.1Å; L330-D332 VanDerWaalsContact C-N 3.34Å; L330-D332 PolarHBondContact O-N 2.85Å; L330-R333 PolarHBondContact O-N 3.08Å; L330-C334 PolarHBondContact O-N 3.17Å; L330-C334 PolarHBondContact O-SG 3.16Å; L330-C334 VanDerWaalsContact O-SG 3.39Å; L330-L359 HydrophobicContact CD1-CD1 3.9Å; L330-L359 HydrophobicContact CD1-CD2 4.21Å; L330-L359 HydrophobicContact CD1-CG 4.29Å; L330-F418 HydrophobicContact CD2-CD1 4.04Å; L330-F418 HydrophobicContact CD2-CE1 3.61Å; L330-P420 HydrophobicContact CD1-CG 4.27Å; L330-P420 HydrophobicContact CD2-CG 3.79Å |
| 331 | Q | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 176.5 | -166.7 | -176.3 | 141.3 | 0 | 0 | 112.3 | L324 D327 K328 C334 Y335 L461 F466 | L324-Q331 HydrophobicContact CB-CB 4.37Å; L324-Q331 HydrophobicContact CB-CG 4.28Å; L324-Q331 WeakPolarHBondContact O-CB 3.41Å; L324-Q331 PolarHBondContact O-NE2 3.29Å; D327-Q331 PolarHBondContact O-N 3.45Å; K328-Q331 WeakPolarHBondContact O-CB 3.37Å; K328-Q331 PolarHBondContact O-N 3.22Å; Q331-C334 WeakPolarHBondContact O-CB 3.25Å; Q331-C334 PolarHBondContact O-N 3.15Å; Q331-Y335 PolarHBondContact O-N 2.86Å; Q331-L461 HydrophobicContact CG-CD2 3.67Å; Q331-F466 PolarHBondContact NE2-O 3.32Å |
| 332 | D | 98.5 | Very high | 98.4 | Very high | 68 Ų | 68 | 37.4 Ų | 37.4 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69 | -33.7 | 178.4 | -73.2 | -28.8 | 0 | 0 | 0 | 112.4 | K328 L330 Y335 A336 R495 | K328-D332 PolarHBondContact O-N 2.71Å; L330-D332 VanDerWaalsContact C-N 3.34Å; L330-D332 PolarHBondContact O-N 2.85Å; D332-Y335 PolarHBondContact O-N 3.35Å; D332-A336 WeakPolarHBondContact O-CB 3.43Å; D332-A336 PolarHBondContact O-N 2.97Å; D332-R495 IonicContact OD1-CZ 3.57Å; D332-R495 IonicContact OD1-NH1 2.71Å; D332-R495 PolarHBondContact OD1-NH1 3.3Å; D332-R495 IonicContact OD1-NH2 2.86Å; D332-R495 PolarHBondContact OD1-NH2 3.33Å |
| 333 | R | 98.6 | Very high | 98.3 | Very high | 114 Ų | 114 | 38.6 Ų | 38.6 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65 | -39.9 | 170.4 | -73.6 | 168.5 | 60.2 | -149.5 | -4.5 | 112.2 | A329 L330 Y335 A336 E337 L359 E421 | A329-R333 VanDerWaalsContact O-CG 3.25Å; A329-R333 WeakPolarHBondContact O-CG 3.46Å; A329-R333 PolarHBondContact O-N 3.49Å; L330-R333 PolarHBondContact O-N 3.08Å; R333-Y335 VanDerWaalsContact C-N 3.32Å; R333-A336 PolarHBondContact O-N 3.36Å; R333-E337 PolarHBondContact O-N 2.99Å; R333-L359 HydrophobicContact CB-CD2 3.65Å; R333-E421 IonicContact CZ-OE1 2.8Å; R333-E421 VanDerWaalsContact CZ-OE1 3.23Å; R333-E421 IonicContact NH1-OE1 2.7Å; R333-E421 PolarHBondContact NH1-OE1 3.39Å; R333-E421 IonicContact NH2-OE1 3.88Å; R333-E421 PolarHBondContact NH2-OE1 2.92Å |
| 334 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 173.5 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | L330 Q331 E337 Q338 L461 | L330-C334 PolarHBondContact O-N 3.17Å; L330-C334 PolarHBondContact O-SG 3.16Å; L330-C334 VanDerWaalsContact O-SG 3.39Å; Q331-C334 WeakPolarHBondContact O-CB 3.25Å; Q331-C334 PolarHBondContact O-N 3.15Å; C334-E337 WeakPolarHBondContact O-CB 3.36Å; C334-E337 PolarHBondContact O-N 3.42Å; C334-Q338 WeakPolarHBondContact O-CG 3.48Å; C334-Q338 PolarHBondContact O-N 3.32Å; C334-L461 HydrophobicContact CB-CD1 3.75Å |
| 335 | Y | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67 | -42.9 | 173.6 | 177.9 | -108.6 | 0 | 0 | 0 | 112.3 | Q331 D332 R333 E337 Q338 K339 L346 L461 R495 | Q331-Y335 PolarHBondContact O-N 2.86Å; D332-Y335 PolarHBondContact O-N 3.35Å; R333-Y335 VanDerWaalsContact C-N 3.32Å; Y335-E337 VanDerWaalsContact C-N 3.27Å; Y335-E337 PolarHBondContact O-N 2.88Å; Y335-Q338 VanDerWaalsContact O-CB 3.29Å; Y335-Q338 WeakPolarHBondContact O-CB 3.36Å; Y335-Q338 PolarHBondContact O-N 3.2Å; Y335-Q338 VanDerWaalsContact O-N 3.08Å; Y335-K339 HydrophobicContact CE1-CD 4.02Å; Y335-K339 PolarHBondContact O-N 2.86Å; Y335-K339 WeakPolarHBondContact OH-CE 3.19Å; Y335-L346 HydrophobicContact CE2-CD1 3.97Å; Y335-L461 VanDerWaalsContact CD2-O 3.3Å; Y335-L461 WeakPolarHBondContact CD2-O 3.42Å; Y335-R495 VanDerWaalsContact CD2-CD 3.43Å; Y335-R495 HydrophobicContact CE2-CG 4.46Å; Y335-R495 VanDerWaalsContact CZ-CD 3.42Å |
| 336 | A | 98.5 | Very high | 97.8 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | D332 R333 Q338 K339 A340 | D332-A336 WeakPolarHBondContact O-CB 3.43Å; D332-A336 PolarHBondContact O-N 2.97Å; R333-A336 PolarHBondContact O-N 3.36Å; A336-Q338 VanDerWaalsContact C-N 3.31Å; A336-Q338 PolarHBondContact O-N 3.46Å; A336-K339 PolarHBondContact O-N 2.75Å; A336-A340 WeakPolarHBondContact O-CB 3.43Å; A336-A340 PolarHBondContact O-N 2.99Å |
| 337 | E | 98.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 172.3 | -179.8 | 175.9 | -105.8 | 0 | 0 | 111.9 | R333 C334 Y335 K339 A340 V341 L357 N358 L359 L360 | R333-E337 PolarHBondContact O-N 2.99Å; C334-E337 WeakPolarHBondContact O-CB 3.36Å; C334-E337 PolarHBondContact O-N 3.42Å; Y335-E337 VanDerWaalsContact C-N 3.27Å; Y335-E337 PolarHBondContact O-N 2.88Å; E337-K339 VanDerWaalsContact C-N 3.34Å; E337-K339 PolarHBondContact O-N 2.78Å; E337-A340 PolarHBondContact O-N 3.15Å; E337-V341 HydrophobicContact CG-CG2 4.17Å; E337-V341 WeakPolarHBondContact O-CB 3.44Å; E337-V341 WeakPolarHBondContact O-CG2 3.16Å; E337-V341 PolarHBondContact O-N 3Å; E337-L357 HydrophobicContact CG-CD2 3.87Å; E337-L357 WeakPolarHBondContact OE2-CA 3.27Å; E337-N358 PolarHBondContact OE1-N 3.48Å; E337-N358 VanDerWaalsContact OE1-N 3.14Å; E337-L359 WeakPolarHBondContact OE1-CB 3.4Å; E337-L359 PolarHBondContact OE1-N 3.23Å; E337-L359 WeakPolarHBondContact OE2-CB 3.35Å; E337-L359 PolarHBondContact OE2-N 2.88Å; E337-L360 PolarHBondContact OE2-N 3.36Å |
| 338 | Q | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58 | -47.2 | 175.2 | -60.4 | -67.1 | -51.9 | 0 | 0 | 111.4 | C334 Y335 A336 C342 L346 S458 | C334-Q338 WeakPolarHBondContact O-CG 3.48Å; C334-Q338 PolarHBondContact O-N 3.32Å; Y335-Q338 VanDerWaalsContact O-CB 3.29Å; Y335-Q338 WeakPolarHBondContact O-CB 3.36Å; Y335-Q338 PolarHBondContact O-N 3.2Å; Y335-Q338 VanDerWaalsContact O-N 3.08Å; A336-Q338 VanDerWaalsContact C-N 3.31Å; A336-Q338 PolarHBondContact O-N 3.46Å; Q338-C342 WeakPolarHBondContact O-CB 3.45Å; Q338-C342 PolarHBondContact O-N 2.97Å; Q338-L346 HydrophobicContact CB-CD2 3.86Å; Q338-S458 PolarHBondContact NE2-OG 3.38Å; Q338-S458 VanDerWaalsContact OE1-CB 3.31Å; Q338-S458 PolarHBondContact OE1-OG 3.45Å |
| 339 | K | 98.1 | Very high | 97.7 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 178.8 | -71.5 | -177.1 | 156.9 | -139.5 | 0 | 112 | Y335 A336 E337 V341 G343 E344 L346 | Y335-K339 HydrophobicContact CE1-CD 4.02Å; Y335-K339 PolarHBondContact O-N 2.86Å; Y335-K339 WeakPolarHBondContact OH-CE 3.19Å; A336-K339 PolarHBondContact O-N 2.75Å; E337-K339 VanDerWaalsContact C-N 3.34Å; E337-K339 PolarHBondContact O-N 2.78Å; K339-V341 PolarHBondContact O-N 3.16Å; K339-G343 CarbonylContact O-C 3.5Å; K339-G343 VanDerWaalsContact O-C 3.26Å; K339-G343 VanDerWaalsContact O-CA 3.29Å; K339-G343 WeakPolarHBondContact O-CA 3.17Å; K339-G343 PolarHBondContact O-N 3.19Å; K339-E344 WeakPolarHBondContact CD-OE2 3.18Å; K339-E344 WeakPolarHBondContact CE-OE2 3.43Å; K339-E344 IonicContact NZ-OE2 3.18Å; K339-E344 PolarHBondContact NZ-OE2 2.97Å; K339-L346 HydrophobicContact CG-CD1 4.36Å; K339-L346 HydrophobicContact CG-CD2 3.87Å; K339-L346 HydrophobicContact CG-CG 4.2Å |
| 340 | A | 98.2 | Very high | 97.5 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 71% | 0.711 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.5 | -37.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | A336 E337 | A336-A340 WeakPolarHBondContact O-CB 3.43Å; A336-A340 PolarHBondContact O-N 2.99Å; E337-A340 PolarHBondContact O-N 3.15Å |
| 341 | V | 98.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 29% | 0.285 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -88.6 | -41.6 | -177.8 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | E337 K339 Q353 D356 L357 | E337-V341 HydrophobicContact CG-CG2 4.17Å; E337-V341 WeakPolarHBondContact O-CB 3.44Å; E337-V341 WeakPolarHBondContact O-CG2 3.16Å; E337-V341 PolarHBondContact O-N 3Å; K339-V341 PolarHBondContact O-N 3.16Å; V341-Q353 HydrophobicContact CG1-CB 4.23Å; V341-D356 HydrophobicContact CG1-CB 3.75Å; V341-D356 HydrophobicContact CG2-CB 4.32Å; V341-L357 HydrophobicContact CB-CD2 3.92Å; V341-L357 HydrophobicContact CG1-CD2 4.1Å; V341-L357 HydrophobicContact CG2-CD2 4.09Å |
| 342 | C | 97.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -95.9 | -18.8 | -171.9 | -56.4 | 0 | 0 | 0 | 0 | 113.9 | Q338 P347 Q353 R462 | Q338-C342 WeakPolarHBondContact O-CB 3.45Å; Q338-C342 PolarHBondContact O-N 2.97Å; C342-P347 WeakPolarHBondContact O-CD 3.49Å; C342-P347 VanDerWaalsContact O-CG 3.25Å; C342-P347 WeakPolarHBondContact O-CG 3.43Å; C342-Q353 PolarHBondContact SG-OE1 3.27Å; C342-R462 PolarHBondContact SG-NH2 3Å |
| 343 | G | 96.5 | Very high | 97 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 26% | 0.258 | 28% | 0.281 | S | S | . | . | trans | 108 | 153.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K339 D345 L346 | K339-G343 CarbonylContact O-C 3.5Å; K339-G343 VanDerWaalsContact O-C 3.26Å; K339-G343 VanDerWaalsContact O-CA 3.29Å; K339-G343 WeakPolarHBondContact O-CA 3.17Å; K339-G343 PolarHBondContact O-N 3.19Å; G343-D345 VanDerWaalsContact C-N 3.26Å; G343-D345 PolarHBondContact O-N 3.35Å; G343-L346 PolarHBondContact O-N 2.84Å | ||
| 344 | E | 94.9 | Very high | 96.9 | Very high | 134 Ų | 134 | 44.4 Ų | 44.4 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -30 | -178.2 | -79.2 | -62.3 | 149.8 | 0 | 0 | 113.6 | K339 L346 | K339-E344 WeakPolarHBondContact CD-OE2 3.18Å; K339-E344 WeakPolarHBondContact CE-OE2 3.43Å; K339-E344 IonicContact NZ-OE2 3.18Å; K339-E344 PolarHBondContact NZ-OE2 2.97Å; E344-L346 PolarHBondContact O-N 3.31Å |
| 345 | D | 94.6 | Very high | 96.7 | Very high | 131 Ų | 131 | 49.1 Ų | 49.1 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.7 | 176.8 | 62.5 | -36 | 0 | 0 | 0 | 113.3 | G343 | G343-D345 VanDerWaalsContact C-N 3.26Å; G343-D345 PolarHBondContact O-N 3.35Å |
| 346 | L | 96.4 | Very high | 96.6 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | trans | 48.8 | 61.3 | 178.1 | -65 | 170.1 | 0 | 0 | 0 | 112.4 | Y335 Q338 K339 G343 E344 R462 | Y335-L346 HydrophobicContact CE2-CD1 3.97Å; Q338-L346 HydrophobicContact CB-CD2 3.86Å; K339-L346 HydrophobicContact CG-CD1 4.36Å; K339-L346 HydrophobicContact CG-CD2 3.87Å; K339-L346 HydrophobicContact CG-CG 4.2Å; G343-L346 PolarHBondContact O-N 2.84Å; E344-L346 PolarHBondContact O-N 3.31Å; L346-R462 HydrophobicContact CD1-CG 4.17Å; L346-R462 HydrophobicContact CD2-CG 4.39Å; L346-R462 PolarHBondContact O-NH1 3.34Å | ||
| 347 | P | 96.9 | Very high | 96.6 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 26% | 0.26 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -63 | 167.5 | -179.8 | 30.6 | -37 | 0 | 0 | 0 | 111.4 | C342 L349 R462 | C342-P347 WeakPolarHBondContact O-CD 3.49Å; C342-P347 VanDerWaalsContact O-CG 3.25Å; C342-P347 WeakPolarHBondContact O-CG 3.43Å; P347-L349 PolarHBondContact O-N 2.78Å; P347-R462 PolarHBondContact O-NH1 3.16Å |
| 348 | P | 97.8 | Very high | 96.6 | Very high | 102 Ų | 102 | 52.7 Ų | 52.7 | 66% | 0.662 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -47 | 138.9 | 176.2 | -28.7 | 35.7 | 0 | 0 | 0 | 112.5 | ||
| 349 | L | 97.7 | Very high | 96.6 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 139.4 | -176.9 | -77.3 | 163.4 | 0 | 0 | 0 | 111.6 | V169 E173 P347 L354 T455 | V169-L349 HydrophobicContact CG1-CB 3.71Å; V169-L349 WeakPolarHBondContact CG1-O 3.33Å; E173-L349 HydrophobicContact CG-CD1 4.46Å; E173-L349 WeakPolarHBondContact OE1-CG 3.42Å; E173-L349 PolarHBondContact OE1-N 3.32Å; E173-L349 VanDerWaalsContact OE1-N 3.11Å; E173-L349 PolarHBondContact OE2-N 2.93Å; E173-L349 VanDerWaalsContact OE2-N 3.08Å; P347-L349 PolarHBondContact O-N 2.78Å; L349-L354 HydrophobicContact CD2-CD2 4.22Å; L349-T455 HydrophobicContact CD1-CG2 3.99Å |
| 350 | D | 94.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 31% | 0.305 | 29% | 0.291 | S | S | . | . | trans | -118.2 | 152.7 | 170.6 | 179.5 | 64.9 | 0 | 0 | 0 | 112.1 | D352 Q353 L354 | D350-D352 VanDerWaalsContact C-N 3.32Å; D350-D352 PolarHBondContact O-N 3.18Å; D350-D352 WeakPolarHBondContact OD2-CB 3.32Å; D350-D352 PolarHBondContact OD2-N 2.92Å; D350-Q353 HydrophobicContact CB-CG 4.24Å; D350-Q353 VanDerWaalsContact N-OE1 3.08Å; D350-Q353 WeakPolarHBondContact O-CB 3.34Å; D350-Q353 PolarHBondContact O-N 3.02Å; D350-L354 PolarHBondContact O-N 2.88Å | ||
| 351 | F | 95.9 | Very high | 96.6 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 179.9 | 177.1 | -99.2 | 0 | 0 | 0 | 113.6 | I162 F165 K166 V169 L354 V451 | I162-F351 HydrophobicContact CB-CE1 4.45Å; I162-F351 HydrophobicContact CG1-CE1 4.27Å; I162-F351 HydrophobicContact CG1-CZ 4.23Å; I162-F351 HydrophobicContact CG2-CD1 4.22Å; I162-F351 HydrophobicContact CG2-CE1 3.67Å; I162-F351 HydrophobicContact CG2-CZ 4.31Å; F165-F351 HydrophobicContact CB-CD2 3.68Å; F165-F351 HydrophobicContact CB-CE2 3.44Å; F165-F351 VanDerWaalsContact CB-CE2 3.44Å; F165-F351 HydrophobicContact CB-CZ 4.14Å; F165-F351 HydrophobicContact CD2-CE2 4.06Å; F165-F351 HydrophobicContact CD2-CZ 4.26Å; F165-F351 HydrophobicContact CG-CE2 4.13Å; K166-F351 HydrophobicContact CB-CB 4.45Å; K166-F351 HydrophobicContact CG-CB 3.79Å; K166-F351 HydrophobicContact CG-CD1 4.1Å; K166-F351 HydrophobicContact CG-CG 4.07Å; V169-F351 HydrophobicContact CG2-CB 4.05Å; V169-F351 HydrophobicContact CG2-CD2 4.28Å; F351-L354 PolarHBondContact O-N 3.3Å; F351-V451 HydrophobicContact CD2-CG2 4.09Å; F351-V451 HydrophobicContact CE2-CG2 3.65Å |
| 352 | D | 94.8 | Very high | 96.6 | Very high | 64 Ų | 64 | 50.8 Ų | 50.8 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.3 | -37.5 | 180 | -68.5 | -41.1 | 0 | 0 | 0 | 110.4 | K166 D350 L354 K355 | K166-D352 IonicContact NZ-OD2 2.71Å; K166-D352 PolarHBondContact NZ-OD2 2.88Å; D350-D352 VanDerWaalsContact C-N 3.32Å; D350-D352 PolarHBondContact O-N 3.18Å; D350-D352 WeakPolarHBondContact OD2-CB 3.32Å; D350-D352 PolarHBondContact OD2-N 2.92Å; D352-L354 VanDerWaalsContact C-N 3.29Å; D352-L354 PolarHBondContact O-N 3.15Å; D352-K355 WeakPolarHBondContact O-CB 3.37Å; D352-K355 PolarHBondContact O-N 3.04Å; D352-K355 VanDerWaalsContact O-N 3.12Å; D352-K355 IonicContact OD1-NZ 2.68Å; D352-K355 PolarHBondContact OD1-NZ 3.49Å |
| 353 | Q | 95.3 | Very high | 96.7 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -38.9 | 171.4 | -64.9 | 173.5 | -21.8 | 0 | 0 | 112.2 | V341 C342 D350 K355 D356 L357 | V341-Q353 HydrophobicContact CG1-CB 4.23Å; C342-Q353 PolarHBondContact SG-OE1 3.27Å; D350-Q353 HydrophobicContact CB-CG 4.24Å; D350-Q353 VanDerWaalsContact N-OE1 3.08Å; D350-Q353 WeakPolarHBondContact O-CB 3.34Å; D350-Q353 PolarHBondContact O-N 3.02Å; Q353-K355 PolarHBondContact O-N 3.44Å; Q353-K355 VanDerWaalsContact O-N 3.14Å; Q353-D356 PolarHBondContact O-N 3.35Å; Q353-L357 PolarHBondContact O-N 2.92Å |
| 354 | L | 95.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -30.1 | 178.7 | -67.4 | -174.5 | 0 | 0 | 0 | 112.3 | V169 L349 D350 F351 D352 D356 L357 K454 T455 | V169-L354 HydrophobicContact CG1-CD1 4.4Å; V169-L354 HydrophobicContact CG2-CD1 3.52Å; V169-L354 HydrophobicContact CG2-CG 4.46Å; L349-L354 HydrophobicContact CD2-CD2 4.22Å; D350-L354 PolarHBondContact O-N 2.88Å; F351-L354 PolarHBondContact O-N 3.3Å; D352-L354 VanDerWaalsContact C-N 3.29Å; D352-L354 PolarHBondContact O-N 3.15Å; L354-D356 VanDerWaalsContact C-N 3.27Å; L354-D356 PolarHBondContact O-N 3.43Å; L354-L357 HydrophobicContact CD2-CD1 3.8Å; L354-K454 HydrophobicContact CD2-CB 4.28Å; L354-K454 VanDerWaalsContact O-CE 3.25Å; L354-K454 WeakPolarHBondContact O-CE 3.17Å; L354-K454 PolarHBondContact O-NZ 3.35Å; L354-T455 WeakPolarHBondContact CD1-OG1 3.28Å |
| 355 | K | 94.3 | Very high | 97 | Very high | 99 Ų | 99 | 44.8 Ų | 44.8 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.3 | -30.2 | 178.3 | -61.6 | 170 | -175.5 | 160.2 | 0 | 112.2 | D352 Q353 | D352-K355 WeakPolarHBondContact O-CB 3.37Å; D352-K355 PolarHBondContact O-N 3.04Å; D352-K355 VanDerWaalsContact O-N 3.12Å; D352-K355 IonicContact OD1-NZ 2.68Å; D352-K355 PolarHBondContact OD1-NZ 3.49Å; Q353-K355 PolarHBondContact O-N 3.44Å; Q353-K355 VanDerWaalsContact O-N 3.14Å |
| 356 | D | 97.1 | Very high | 97.2 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 51% | 0.508 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -88.6 | -10.4 | -175.2 | -63 | -34.5 | 0 | 0 | 0 | 113.1 | V341 Q353 L354 N358 | V341-D356 HydrophobicContact CG1-CB 3.75Å; V341-D356 HydrophobicContact CG2-CB 4.32Å; Q353-D356 PolarHBondContact O-N 3.35Å; L354-D356 VanDerWaalsContact C-N 3.27Å; L354-D356 PolarHBondContact O-N 3.43Å; D356-N358 PolarHBondContact O-N 2.93Å; D356-N358 PolarHBondContact O-ND2 3.11Å |
| 357 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -74.5 | 69.2 | 171.6 | -60.1 | 175.1 | 0 | 0 | 0 | 111.3 | E337 V341 Q353 L354 L360 E361 K454 S458 | E337-L357 HydrophobicContact CG-CD2 3.87Å; E337-L357 WeakPolarHBondContact OE2-CA 3.27Å; V341-L357 HydrophobicContact CB-CD2 3.92Å; V341-L357 HydrophobicContact CG1-CD2 4.1Å; V341-L357 HydrophobicContact CG2-CD2 4.09Å; Q353-L357 PolarHBondContact O-N 2.92Å; L354-L357 HydrophobicContact CD2-CD1 3.8Å; L357-L360 HydrophobicContact CB-CB 4.26Å; L357-L360 HydrophobicContact CD1-CD2 4.31Å; L357-E361 WeakPolarHBondContact O-CB 3.35Å; L357-E361 PolarHBondContact O-N 2.85Å; L357-K454 WeakPolarHBondContact O-CE 3.34Å; L357-K454 PolarHBondContact O-NZ 3.23Å; L357-K454 VanDerWaalsContact O-NZ 3.07Å; L357-S458 VanDerWaalsContact CD1-OG 3.26Å; L357-S458 WeakPolarHBondContact CD1-OG 3.42Å | ||
| 358 | N | 97.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 35.7 Ų | 35.7 | 45% | 0.449 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -72.8 | -34.4 | -171 | -73.3 | -61.3 | 0 | 0 | 0 | 113.6 | E337 D356 R362 | E337-N358 PolarHBondContact OE1-N 3.48Å; E337-N358 VanDerWaalsContact OE1-N 3.14Å; D356-N358 PolarHBondContact O-N 2.93Å; D356-N358 PolarHBondContact O-ND2 3.11Å; N358-R362 VanDerWaalsContact O-CG 3.3Å; N358-R362 WeakPolarHBondContact O-CG 3.49Å; N358-R362 PolarHBondContact O-N 3.47Å; N358-R362 VanDerWaalsContact O-N 3.09Å; N358-R362 PolarHBondContact O-NE 3.07Å |
| 359 | L | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.6 | -46.8 | 175.5 | -178.3 | 61.4 | 0 | 0 | 0 | 110.3 | L330 R333 E337 E361 R362 C363 P420 | L330-L359 HydrophobicContact CD1-CD1 3.9Å; L330-L359 HydrophobicContact CD1-CD2 4.21Å; L330-L359 HydrophobicContact CD1-CG 4.29Å; R333-L359 HydrophobicContact CB-CD2 3.65Å; E337-L359 WeakPolarHBondContact OE1-CB 3.4Å; E337-L359 PolarHBondContact OE1-N 3.23Å; E337-L359 WeakPolarHBondContact OE2-CB 3.35Å; E337-L359 PolarHBondContact OE2-N 2.88Å; L359-E361 VanDerWaalsContact C-N 3.26Å; L359-E361 PolarHBondContact O-N 2.98Å; L359-R362 PolarHBondContact O-N 2.93Å; L359-R362 VanDerWaalsContact O-N 3.15Å; L359-C363 PolarHBondContact O-N 3.21Å; L359-C363 PolarHBondContact O-SG 3.49Å; L359-P420 HydrophobicContact CD1-CB 4.35Å |
| 360 | L | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 175 | -177.6 | 60.8 | 0 | 0 | 0 | 111.4 | L320 E337 L357 C363 L364 K454 W457 S458 L461 | L320-L360 HydrophobicContact CD2-CD1 4.47Å; E337-L360 PolarHBondContact OE2-N 3.36Å; L357-L360 HydrophobicContact CB-CB 4.26Å; L357-L360 HydrophobicContact CD1-CD2 4.31Å; L360-C363 WeakPolarHBondContact O-CB 3.13Å; L360-C363 PolarHBondContact O-N 3.29Å; L360-L364 PolarHBondContact O-N 2.87Å; L360-K454 HydrophobicContact CD2-CB 4.28Å; L360-K454 HydrophobicContact CD2-CG 4.45Å; L360-W457 HydrophobicContact CD1-CB 4.18Å; L360-S458 VanDerWaalsContact CD2-OG 3.29Å; L360-S458 WeakPolarHBondContact CD2-OG 3.49Å; L360-L461 HydrophobicContact CD1-CD1 4.25Å |
| 361 | E | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 29.7 Ų | 29.7 | 34% | 0.341 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 173.5 | -169.7 | 157.9 | 117.6 | 0 | 0 | 112.7 | L357 L359 C363 L364 K365 Y450 K454 | L357-E361 WeakPolarHBondContact O-CB 3.35Å; L357-E361 PolarHBondContact O-N 2.85Å; L359-E361 VanDerWaalsContact C-N 3.26Å; L359-E361 PolarHBondContact O-N 2.98Å; E361-C363 VanDerWaalsContact C-N 3.32Å; E361-C363 PolarHBondContact O-N 3.48Å; E361-L364 WeakPolarHBondContact O-CB 3.21Å; E361-L364 PolarHBondContact O-N 3.36Å; E361-K365 WeakPolarHBondContact O-CB 3.47Å; E361-K365 PolarHBondContact O-N 2.92Å; E361-Y450 HydrophobicContact CG-CD1 4.28Å; E361-Y450 HydrophobicContact CG-CE1 3.96Å; E361-K454 IonicContact OE2-NZ 3.42Å; E361-K454 PolarHBondContact OE2-NZ 2.96Å |
| 362 | R | 98.3 | Very high | 97.7 | Very high | 47 Ų | 47 | 29.1 Ų | 29.1 | 18% | 0.177 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -33.8 | 177.6 | -74.5 | 178 | -69.5 | 165.6 | -4.7 | 112.2 | N358 L359 L364 K365 E366 P420 Y423 | N358-R362 VanDerWaalsContact O-CG 3.3Å; N358-R362 WeakPolarHBondContact O-CG 3.49Å; N358-R362 PolarHBondContact O-N 3.47Å; N358-R362 VanDerWaalsContact O-N 3.09Å; N358-R362 PolarHBondContact O-NE 3.07Å; L359-R362 PolarHBondContact O-N 2.93Å; L359-R362 VanDerWaalsContact O-N 3.15Å; R362-L364 VanDerWaalsContact C-N 3.35Å; R362-K365 PolarHBondContact O-N 3.29Å; R362-E366 WeakPolarHBondContact O-CB 3.39Å; R362-E366 PolarHBondContact O-N 2.94Å; R362-P420 HydrophobicContact CB-CB 3.82Å; R362-Y423 HydrophobicContact CB-CD2 4.16Å; R362-Y423 HydrophobicContact CG-CD2 4.14Å |
| 363 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 172.1 | -65.2 | 0 | 0 | 0 | 0 | 111.2 | L320 L359 L360 E361 E366 T367 F418 P420 | L320-C363 HydrophobicContact CD1-CB 3.77Å; L359-C363 PolarHBondContact O-N 3.21Å; L359-C363 PolarHBondContact O-SG 3.49Å; L360-C363 WeakPolarHBondContact O-CB 3.13Å; L360-C363 PolarHBondContact O-N 3.29Å; E361-C363 VanDerWaalsContact C-N 3.32Å; E361-C363 PolarHBondContact O-N 3.48Å; C363-E366 PolarHBondContact O-N 2.77Å; C363-T367 WeakPolarHBondContact O-CB 3.18Å; C363-T367 PolarHBondContact O-N 2.85Å; C363-T367 PolarHBondContact O-OG1 3.33Å; C363-F418 HydrophobicContact CB-CZ 4.22Å; C363-F418 WeakPolarHBondContact O-CZ 3.33Å; C363-P420 HydrophobicContact CB-CG 4.39Å; C363-P420 VanDerWaalsContact SG-CG 3.58Å |
| 364 | L | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 174.5 | 179.1 | 51.8 | 0 | 0 | 0 | 111.7 | T316 L360 E361 R362 E366 T367 L368 Y450 I453 K454 | T316-L364 HydrophobicContact CG2-CD1 3.5Å; L360-L364 PolarHBondContact O-N 2.87Å; E361-L364 WeakPolarHBondContact O-CB 3.21Å; E361-L364 PolarHBondContact O-N 3.36Å; R362-L364 VanDerWaalsContact C-N 3.35Å; L364-E366 VanDerWaalsContact C-N 3.34Å; L364-E366 PolarHBondContact O-N 2.96Å; L364-T367 WeakPolarHBondContact O-CB 3.31Å; L364-T367 PolarHBondContact O-N 2.92Å; L364-L368 HydrophobicContact CD1-CD1 4.25Å; L364-L368 HydrophobicContact CD1-CG 4.29Å; L364-L368 HydrophobicContact CG-CD1 4.34Å; L364-L368 WeakPolarHBondContact O-CG 3.28Å; L364-L368 PolarHBondContact O-N 3.25Å; L364-Y450 HydrophobicContact CB-CE1 4.4Å; L364-Y450 HydrophobicContact CD2-CD1 3.51Å; L364-Y450 HydrophobicContact CD2-CE1 3.75Å; L364-Y450 HydrophobicContact CD2-CG 4.1Å; L364-Y450 HydrophobicContact CG-CD1 4.25Å; L364-Y450 HydrophobicContact CG-CE1 3.95Å; L364-I453 HydrophobicContact CD1-CB 4.37Å; L364-I453 HydrophobicContact CD1-CD1 3.99Å; L364-I453 HydrophobicContact CD1-CG2 3.73Å; L364-I453 HydrophobicContact CD2-CB 3.92Å; L364-I453 HydrophobicContact CD2-CD1 4.43Å; L364-I453 HydrophobicContact CD2-CG2 3.9Å; L364-I453 HydrophobicContact CG-CG2 4.43Å; L364-K454 HydrophobicContact CD2-CG 4.17Å |
| 365 | K | 98.4 | Very high | 97.7 | Very high | 43 Ų | 43 | 28.9 Ų | 28.9 | 19% | 0.187 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 174.8 | -163.8 | -178.5 | 175.2 | -177.7 | 0 | 111.1 | E361 R362 T367 L368 R369 Y423 D426 Y433 | E361-K365 WeakPolarHBondContact O-CB 3.47Å; E361-K365 PolarHBondContact O-N 2.92Å; R362-K365 PolarHBondContact O-N 3.29Å; K365-T367 PolarHBondContact O-N 2.88Å; K365-L368 PolarHBondContact O-N 3.37Å; K365-R369 PolarHBondContact O-N 3.5Å; K365-Y423 HydrophobicContact CB-CD2 4.33Å; K365-Y423 HydrophobicContact CB-CE2 3.82Å; K365-Y423 HydrophobicContact CD-CD1 3.76Å; K365-Y423 HydrophobicContact CD-CD2 3.91Å; K365-Y423 HydrophobicContact CD-CE1 3.73Å; K365-Y423 HydrophobicContact CD-CE2 3.88Å; K365-Y423 HydrophobicContact CD-CG 3.83Å; K365-Y423 VanDerWaalsContact CE-CE1 3.5Å; K365-Y423 HydrophobicContact CG-CD2 4.34Å; K365-Y423 HydrophobicContact CG-CE1 4.05Å; K365-Y423 HydrophobicContact CG-CE2 3.83Å; K365-Y423 PolarHBondContact O-OH 3.18Å; K365-D426 IonicContact NZ-OD2 3.29Å; K365-D426 PolarHBondContact NZ-OD2 3.39Å; K365-Y433 WeakPolarHBondContact CA-OH 3.26Å; K365-Y433 HydrophobicContact CD-CE1 4.43Å; K365-Y433 HydrophobicContact CG-CE1 3.81Å; K365-Y433 HydrophobicContact CG-CE2 4.26Å; K365-Y433 VanDerWaalsContact CG-CZ 3.49Å; K365-Y433 WeakPolarHBondContact CG-OH 3.41Å; K365-Y433 PolarHBondContact O-OH 2.93Å |
| 366 | E | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.6 | -34.5 | 178.1 | -170.1 | 66.9 | 170.1 | 0 | 0 | 112.4 | R362 C363 L364 R369 L370 F418 R419 R422 Y423 | R362-E366 WeakPolarHBondContact O-CB 3.39Å; R362-E366 PolarHBondContact O-N 2.94Å; C363-E366 PolarHBondContact O-N 2.77Å; L364-E366 VanDerWaalsContact C-N 3.34Å; L364-E366 PolarHBondContact O-N 2.96Å; E366-R369 VanDerWaalsContact CD-NE 3.29Å; E366-R369 WeakPolarHBondContact O-CB 3.26Å; E366-R369 PolarHBondContact O-N 2.63Å; E366-R369 IonicContact OE1-CZ 3.14Å; E366-R369 IonicContact OE1-NE 3.64Å; E366-R369 PolarHBondContact OE1-NE 3.43Å; E366-R369 IonicContact OE1-NH2 2.87Å; E366-R369 PolarHBondContact OE1-NH2 2.9Å; E366-R369 WeakPolarHBondContact OE2-CD 3.43Å; E366-R369 IonicContact OE2-CZ 3.8Å; E366-R369 IonicContact OE2-NE 3.98Å; E366-R369 PolarHBondContact OE2-NE 2.84Å; E366-R369 IonicContact OE2-NH2 2.83Å; E366-L370 HydrophobicContact CG-CD1 4.46Å; E366-L370 PolarHBondContact O-N 3.05Å; E366-F418 HydrophobicContact CB-CD2 4.14Å; E366-F418 HydrophobicContact CB-CE2 3.79Å; E366-F418 HydrophobicContact CB-CZ 4.13Å; E366-F418 HydrophobicContact CG-CD1 4.48Å; E366-F418 HydrophobicContact CG-CD2 3.54Å; E366-F418 HydrophobicContact CG-CE2 3.74Å; E366-F418 HydrophobicContact CG-CG 3.94Å; E366-F418 HydrophobicContact CG-CZ 4.3Å; E366-R419 PolarHBondContact OE1-N 3.35Å; E366-R422 IonicContact OE1-CZ 3.08Å; E366-R422 IonicContact OE1-NE 2.79Å; E366-R422 PolarHBondContact OE1-NE 3.1Å; E366-R422 IonicContact OE1-NH2 3.47Å; E366-R422 PolarHBondContact OE1-NH2 3.45Å; E366-R422 WeakPolarHBondContact OE2-CD 3.42Å; E366-R422 IonicContact OE2-NE 3.34Å; E366-R422 PolarHBondContact OE2-NE 3.24Å; E366-Y423 HydrophobicContact CB-CE2 3.97Å; E366-Y423 PolarHBondContact OE2-OH 2.57Å |
| 367 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | T316 W319 L320 F323 C363 L364 K365 R369 L370 R371 F418 | T316-T367 HydrophobicContact CG2-CG2 4.01Å; T316-T367 WeakPolarHBondContact O-CG2 3.1Å; W319-T367 HydrophobicContact CB-CG2 3.77Å; L320-T367 HydrophobicContact CB-CG2 4.08Å; F323-T367 HydrophobicContact CD2-CG2 4.26Å; F323-T367 HydrophobicContact CE2-CG2 4.3Å; C363-T367 WeakPolarHBondContact O-CB 3.18Å; C363-T367 PolarHBondContact O-N 2.85Å; C363-T367 PolarHBondContact O-OG1 3.33Å; L364-T367 WeakPolarHBondContact O-CB 3.31Å; L364-T367 PolarHBondContact O-N 2.92Å; K365-T367 PolarHBondContact O-N 2.88Å; T367-R369 PolarHBondContact O-N 3.48Å; T367-L370 PolarHBondContact O-N 2.94Å; T367-R371 CarbonylContact O-C 3.6Å; T367-R371 WeakPolarHBondContact O-CA 3.31Å; T367-R371 PolarHBondContact O-N 3Å; T367-F418 WeakPolarHBondContact OG1-CE2 3.27Å |
| 368 | L | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.2 | -25 | 177.1 | -74.5 | 170.6 | 0 | 0 | 0 | 113 | T316 L364 K365 P372 H406 P435 F436 | T316-L368 HydrophobicContact CG2-CD2 3.65Å; T316-L368 HydrophobicContact CG2-CG 3.9Å; L364-L368 HydrophobicContact CD1-CD1 4.25Å; L364-L368 HydrophobicContact CD1-CG 4.29Å; L364-L368 HydrophobicContact CG-CD1 4.34Å; L364-L368 WeakPolarHBondContact O-CG 3.28Å; L364-L368 PolarHBondContact O-N 3.25Å; K365-L368 PolarHBondContact O-N 3.37Å; L368-P372 WeakPolarHBondContact O-CA 3.43Å; L368-P372 VanDerWaalsContact O-CB 3.31Å; L368-P372 WeakPolarHBondContact O-CB 3.3Å; L368-P372 WeakPolarHBondContact O-CD 3.34Å; L368-H406 PolarHBondContact O-ND1 2.96Å; L368-P435 HydrophobicContact CB-CB 3.92Å; L368-P435 HydrophobicContact CB-CG 4.25Å; L368-P435 HydrophobicContact CD2-CB 4.39Å; L368-F436 HydrophobicContact CD1-CE2 3.63Å; L368-F436 HydrophobicContact CD1-CZ 3.76Å |
| 369 | R | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.3 | -50.1 | 171.8 | -168.3 | -172 | 66.5 | 78.3 | -3.1 | 111.5 | K365 E366 T367 H406 W412 R415 E417 Y433 | K365-R369 PolarHBondContact O-N 3.5Å; E366-R369 VanDerWaalsContact CD-NE 3.29Å; E366-R369 WeakPolarHBondContact O-CB 3.26Å; E366-R369 PolarHBondContact O-N 2.63Å; E366-R369 IonicContact OE1-CZ 3.14Å; E366-R369 IonicContact OE1-NE 3.64Å; E366-R369 PolarHBondContact OE1-NE 3.43Å; E366-R369 IonicContact OE1-NH2 2.87Å; E366-R369 PolarHBondContact OE1-NH2 2.9Å; E366-R369 WeakPolarHBondContact OE2-CD 3.43Å; E366-R369 IonicContact OE2-CZ 3.8Å; E366-R369 IonicContact OE2-NE 3.98Å; E366-R369 PolarHBondContact OE2-NE 2.84Å; E366-R369 IonicContact OE2-NH2 2.83Å; T367-R369 PolarHBondContact O-N 3.48Å; R369-H406 WeakPolarHBondContact CD-O 3.32Å; R369-H406 HydrophobicContact CG-CB 3.7Å; R369-H406 VanDerWaalsContact CG-O 3.23Å; R369-H406 WeakPolarHBondContact CG-O 3.3Å; R369-H406 PolarHBondContact NH1-O 2.97Å; R369-H406 WeakPolarHBondContact O-CB 3.27Å; R369-H406 PolarHBondContact O-ND1 2.73Å; R369-W412 VanDerWaalsContact CD-CE3 3.49Å; R369-W412 HydrophobicContact CG-CH2 4.24Å; R369-W412 HydrophobicContact CG-CZ2 4.37Å; R369-W412 HydrophobicContact CG-CZ3 4.39Å; R369-R415 PolarHBondContact NH1-O 3.46Å; R369-R415 PolarHBondContact NH2-O 2.82Å; R369-E417 PolarHBondContact NH2-O 3.3Å; R369-Y433 HydrophobicContact CB-CD2 4.23Å; R369-Y433 HydrophobicContact CB-CE2 3.79Å; R369-Y433 HydrophobicContact CG-CD2 4.21Å; R369-Y433 HydrophobicContact CG-CE2 4.29Å |
| 370 | L | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -83.8 | -29.4 | -173.9 | -77.2 | 171 | 0 | 0 | 0 | 113.3 | F323 E366 T367 P372 F418 | F323-L370 HydrophobicContact CE1-CD1 4.17Å; F323-L370 HydrophobicContact CE2-CB 4.46Å; F323-L370 HydrophobicContact CZ-CB 4.02Å; F323-L370 HydrophobicContact CZ-CD1 3.96Å; E366-L370 HydrophobicContact CG-CD1 4.46Å; E366-L370 PolarHBondContact O-N 3.05Å; T367-L370 PolarHBondContact O-N 2.94Å; L370-P372 VanDerWaalsContact C-CD 3.49Å; L370-F418 HydrophobicContact CD1-CB 3.95Å; L370-F418 HydrophobicContact CD1-CD2 3.94Å; L370-F418 HydrophobicContact CD1-CG 4.44Å |
| 371 | R | 98.2 | Very high | 97.6 | Very high | 39 Ų | 39 | 20.9 Ų | 20.9 | 15% | 0.147 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -136.4 | 54.9 | -174.7 | -58.7 | -66.5 | -178.5 | -83.3 | -5 | 111.4 | W319 F323 T367 | W319-R371 HydrophobicContact CB-CB 4.08Å; W319-R371 HydrophobicContact CB-CG 4.09Å; W319-R371 HydrophobicContact CD2-CB 4.2Å; W319-R371 HydrophobicContact CD2-CG 3.66Å; W319-R371 HydrophobicContact CE3-CG 4.14Å; W319-R371 HydrophobicContact CG-CB 3.68Å; W319-R371 HydrophobicContact CG-CG 3.62Å; F323-R371 HydrophobicContact CE2-CG 3.94Å; F323-R371 HydrophobicContact CZ-CG 4.07Å; T367-R371 CarbonylContact O-C 3.6Å; T367-R371 WeakPolarHBondContact O-CA 3.31Å; T367-R371 PolarHBondContact O-N 3Å |
| 372 | P | 97.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | trans | -61 | 130.9 | 171.9 | 26 | -32.8 | 0 | 0 | 0 | 109.5 | L368 L370 I374 P402 T403 | L368-P372 WeakPolarHBondContact O-CA 3.43Å; L368-P372 VanDerWaalsContact O-CB 3.31Å; L368-P372 WeakPolarHBondContact O-CB 3.3Å; L368-P372 WeakPolarHBondContact O-CD 3.34Å; L370-P372 VanDerWaalsContact C-CD 3.49Å; P372-I374 VanDerWaalsContact C-N 3.28Å; P372-I374 PolarHBondContact O-N 2.8Å; P372-P402 HydrophobicContact CB-CB 4.29Å; P372-P402 HydrophobicContact CG-CB 4.19Å; P372-T403 HydrophobicContact CG-CG2 3.89Å | ||
| 373 | P | 96.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.058 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -65.2 | -32.5 | -177 | 22.8 | -32.7 | 0 | 0 | 0 | 112.6 | T312 I482 | T312-P373 HydrophobicContact CG2-CB 4.23Å; T312-P373 HydrophobicContact CG2-CG 4.01Å; P373-I482 HydrophobicContact CB-CG2 3.92Å |
| 374 | I | 95 | Very high | 97.5 | Very high | 69 Ų | 69 | 27.2 Ų | 27.2 | 35% | 0.354 | 14% | 0.136 | S | C | . | . | trans | -96.6 | 100.4 | 174.9 | -56.2 | -58.2 | 0 | 0 | 0 | 109.2 | P372 M377 | P372-I374 VanDerWaalsContact C-N 3.28Å; P372-I374 PolarHBondContact O-N 2.8Å; I374-M377 HydrophobicContact CG2-CG 4.23Å | ||
| 375 | M | 94.5 | Very high | 97.4 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 13% | 0.128 | 14% | 0.14 | C | C | . | . | trans | -78.4 | -24.7 | -173.8 | 77.9 | 109.5 | 138.6 | 0 | 0 | 114.3 | F74 P78 S401 P402 T403 H483 | F74-M375 HydrophobicContact CE1-CE 4.33Å; F74-M375 HydrophobicContact CZ-CE 4.4Å; P78-M375 HydrophobicContact CB-CE 3.52Å; P78-M375 HydrophobicContact CB-SD 4.19Å; P78-M375 HydrophobicContact CG-CE 3.44Å; P78-M375 VanDerWaalsContact CG-CE 3.44Å; P78-M375 HydrophobicContact CG-SD 4.35Å; M375-S401 VanDerWaalsContact O-CA 3.28Å; M375-S401 WeakPolarHBondContact O-CA 3.06Å; M375-S401 WeakPolarHBondContact O-CB 3.32Å; M375-S401 PolarHBondContact O-OG 3.33Å; M375-P402 WeakPolarHBondContact O-CD 3.29Å; M375-T403 VanDerWaalsContact CA-OG1 3.23Å; M375-T403 WeakPolarHBondContact CA-OG1 3.26Å; M375-T403 WeakPolarHBondContact CB-OG1 3.49Å; M375-T403 PolarHBondContact O-OG1 3.42Å; M375-H483 VanDerWaalsContact CB-CE1 3.4Å; M375-H483 WeakPolarHBondContact CB-CE1 3.05Å; M375-H483 VanDerWaalsContact CE-CE1 3.43Å; M375-H483 WeakPolarHBondContact CE-CE1 3.49Å; M375-H483 WeakPolarHBondContact CE-NE2 3.45Å; M375-H483 WeakPolarHBondContact CG-CE1 3.45Å | ||
| 376 | T | 94.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 12% | 0.117 | 16% | 0.159 | C | C | . | . | trans | -144.8 | 136.2 | -178.3 | -71.3 | 0 | 0 | 0 | 0 | 110.4 | Y104 M378 C399 V400 | Y104-T376 HydrophobicContact CE1-CG2 4.18Å; Y104-T376 WeakPolarHBondContact OH-CG2 3.5Å; Y104-T376 PolarHBondContact OH-OG1 3.42Å; T376-M378 HydrophobicContact CG2-CG 3.76Å; T376-M378 HydrophobicContact CG2-SD 4.48Å; T376-C399 HydrophobicContact CG2-CB 4.11Å; T376-V400 CarbonylContact C-O 3.4Å; T376-V400 WeakPolarHBondContact CA-O 3.44Å | ||
| 377 | M | 96.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 31 Ų | 31 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.7 | 167.5 | -71.7 | 171.4 | -80.7 | 0 | 0 | 109.5 | M114 F115 I374 C399 V400 P402 I434 | M114-M377 HydrophobicContact SD-CB 4.15Å; F115-M377 HydrophobicContact CE1-CE 3.81Å; F115-M377 HydrophobicContact CE1-SD 3.94Å; F115-M377 HydrophobicContact CZ-CE 3.59Å; F115-M377 HydrophobicContact CZ-SD 4.33Å; I374-M377 HydrophobicContact CG2-CG 4.23Å; M377-C399 CarbonylContact O-C 3.57Å; M377-C399 VanDerWaalsContact O-CA 3.26Å; M377-C399 WeakPolarHBondContact O-CA 3.41Å; M377-V400 HydrophobicContact CE-CG1 4.43Å; M377-V400 PolarHBondContact N-O 3.03Å; M377-V400 PolarHBondContact O-N 3.41Å; M377-P402 HydrophobicContact CE-CG 3.33Å; M377-I434 HydrophobicContact CE-CD1 4.35Å |
| 378 | M | 97.2 | Very high | 96.9 | Very high | 37 Ų | 37 | 34 Ų | 34 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 147.5 | -173.8 | -59.1 | 177.8 | -83.7 | 0 | 0 | 112.1 | F102 V127 Y128 T376 V398 | F102-M378 HydrophobicContact CE1-SD 4.26Å; V127-M378 HydrophobicContact CG1-CB 3.9Å; V127-M378 HydrophobicContact CG1-CE 4.3Å; V127-M378 HydrophobicContact CG1-SD 4.32Å; Y128-M378 HydrophobicContact CE1-CE 3.91Å; Y128-M378 PolarHBondContact OH-N 3.45Å; Y128-M378 PolarHBondContact OH-O 3.16Å; T376-M378 HydrophobicContact CG2-CG 3.76Å; T376-M378 HydrophobicContact CG2-SD 4.48Å; M378-V398 CarbonylContact C-O 3.5Å; M378-V398 WeakPolarHBondContact CA-O 3.32Å |
| 379 | R | 98.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148.9 | 170.6 | -63.1 | -63.9 | -178 | -84 | -6.4 | 110.2 | M114 L122 N123 Q397 V398 H441 | M114-R379 HydrophobicContact CE-CB 4.48Å; M114-R379 HydrophobicContact CE-CG 4.18Å; M114-R379 HydrophobicContact CG-CG 4.17Å; M114-R379 HydrophobicContact SD-CG 4.35Å; L122-R379 HydrophobicContact CB-CB 3.74Å; L122-R379 HydrophobicContact CB-CG 4.03Å; L122-R379 WeakPolarHBondContact O-CD 3.27Å; N123-R379 CarbonylContact O-C 3.48Å; N123-R379 VanDerWaalsContact O-CA 3.31Å; N123-R379 WeakPolarHBondContact O-CA 3.13Å; R379-Q397 CarbonylContact O-C 3.51Å; R379-Q397 WeakPolarHBondContact O-CA 3.37Å; R379-V398 PolarHBondContact N-O 3.38Å; R379-V398 PolarHBondContact O-N 2.84Å; R379-H441 PolarHBondContact NH2-CD2 2.86Å; R379-H441 VanDerWaalsContact NH2-CG 3.31Å |
| 380 | M | 98.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.5 | 169 | -175.6 | 59.8 | 67.4 | 0 | 0 | 109.7 | L122 N123 D126 V127 R382 G395 Q397 | L122-M380 CarbonylContact C-O 3.47Å; L122-M380 WeakPolarHBondContact CA-O 3.42Å; N123-M380 PolarHBondContact N-O 2.91Å; N123-M380 PolarHBondContact O-N 2.84Å; D126-M380 HydrophobicContact CB-CB 3.56Å; D126-M380 HydrophobicContact CB-CG 4.05Å; V127-M380 HydrophobicContact CG2-CB 4.12Å; M380-R382 PolarHBondContact O-N 3.33Å; M380-G395 VanDerWaalsContact SD-C 3.6Å; M380-Q397 HydrophobicContact CE-CG 3.76Å; M380-Q397 HydrophobicContact SD-CG 4.45Å |
| 381 | A | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 113.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L122 V394 G395 H396 V398 | L122-A381 HydrophobicContact CD2-CB 3.93Å; A381-V394 WeakPolarHBondContact O-CA 3.49Å; A381-V394 WeakPolarHBondContact O-CG1 3.34Å; A381-G395 PolarHBondContact O-N 2.84Å; A381-H396 PolarHBondContact N-O 2.62Å; A381-V398 HydrophobicContact CB-CG2 4.14Å |
| 382 | R | 98 | Very high | 96.7 | Very high | 118 Ų | 118 | 38.5 Ų | 38.5 | 45% | 0.445 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -94.7 | -22.7 | 174.8 | -73.1 | -172.3 | 173.4 | -172.5 | -0.3 | 112.7 | E120 D121 N123 D126 M380 V394 | E120-R382 VanDerWaalsContact O-CB 3.31Å; E120-R382 WeakPolarHBondContact O-CB 3.4Å; D121-R382 PolarHBondContact O-N 3.49Å; N123-R382 HydrophobicContact CB-CG 4.06Å; N123-R382 VanDerWaalsContact CG-CZ 3.48Å; D126-R382 IonicContact OD1-CZ 2.71Å; D126-R382 IonicContact OD1-NE 3.8Å; D126-R382 IonicContact OD1-NH2 3.83Å; D126-R382 PolarHBondContact OD1-NH2 3.08Å; D126-R382 IonicContact OD2-CZ 2.71Å; D126-R382 IonicContact OD2-NE 3.68Å; D126-R382 PolarHBondContact OD2-NE 3.05Å; D126-R382 IonicContact OD2-NH2 2.67Å; D126-R382 PolarHBondContact OD2-NH2 2.79Å; D126-R382 VanDerWaalsContact OD2-NH2 3.17Å; M380-R382 PolarHBondContact O-N 3.33Å; R382-V394 WeakPolarHBondContact O-CG2 3.3Å |
| 383 | T | 97.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -128.2 | 153.6 | 174.2 | 58.1 | 0 | 0 | 0 | 0 | 109.2 | D121 Q385 | D121-T383 WeakPolarHBondContact CA-OG1 3.39Å; D121-T383 WeakPolarHBondContact CB-OG1 3.18Å; D121-T383 PolarHBondContact OD1-OG1 3.07Å; T383-Q385 PolarHBondContact O-N 3.39Å; T383-Q385 PolarHBondContact O-NE2 3.19Å; T383-Q385 PolarHBondContact OG1-NE2 2.8Å |
| 384 | P | 96.9 | Very high | 96.6 | Very high | 87 Ų | 87 | 43.4 Ų | 43.4 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | trans | -57.4 | 131.7 | 173.3 | -23 | 33.7 | 0 | 0 | 0 | 110.9 | T391 I392 V394 | P384-T391 HydrophobicContact CB-CG2 4.35Å; P384-I392 WeakPolarHBondContact CA-O 3.27Å; P384-V394 HydrophobicContact CG-CG2 4.21Å | ||
| 385 | Q | 97.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 157.1 | -179.6 | -61.9 | -60.6 | -68.8 | 0 | 0 | 111 | L113 L122 T383 T391 I392 | L113-Q385 HydrophobicContact CD1-CB 4.31Å; L113-Q385 HydrophobicContact CD2-CB 3.89Å; L122-Q385 HydrophobicContact CD2-CG 3.78Å; L122-Q385 HydrophobicContact CG-CG 4.1Å; T383-Q385 PolarHBondContact O-N 3.39Å; T383-Q385 PolarHBondContact O-NE2 3.19Å; T383-Q385 PolarHBondContact OG1-NE2 2.8Å; Q385-T391 CarbonylContact O-C 3.51Å; Q385-T391 WeakPolarHBondContact O-CA 3.29Å; Q385-I392 HydrophobicContact CB-CB 4.28Å; Q385-I392 PolarHBondContact N-O 2.8Å; Q385-I392 PolarHBondContact O-N 2.95Å |
| 386 | T | 96.6 | Very high | 96.8 | Very high | 95 Ų | 95 | 42.2 Ų | 42.2 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.1 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | Y390 | T386-Y390 CarbonylContact C-O 3.57Å; T386-Y390 VanDerWaalsContact CA-O 3.25Å; T386-Y390 WeakPolarHBondContact CA-O 3.38Å |
| 387 | A | 95.1 | Very high | 97 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 135.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | V92 L105 L113 G389 Y390 I392 | V92-A387 HydrophobicContact CG2-CB 4.23Å; L105-A387 HydrophobicContact CD2-CB 3.98Å; L113-A387 HydrophobicContact CB-CB 4.37Å; L113-A387 HydrophobicContact CD2-CB 3.69Å; A387-G389 PolarHBondContact O-N 2.92Å; A387-G389 VanDerWaalsContact O-N 3.13Å; A387-Y390 PolarHBondContact N-O 2.79Å; A387-Y390 WeakPolarHBondContact O-CB 3.45Å; A387-Y390 PolarHBondContact O-N 3.49Å; A387-I392 HydrophobicContact CB-CD1 4.42Å |
| 388 | A | 93.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 50% | 0.504 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 36.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | V92 Y390 | V92-A388 HydrophobicContact CB-CB 4.49Å; V92-A388 HydrophobicContact CG2-CB 3.69Å; A388-Y390 VanDerWaalsContact C-N 3.29Å; A388-Y390 HydrophobicContact CB-CD2 4.3Å; A388-Y390 WeakPolarHBondContact O-CD2 3.35Å; A388-Y390 PolarHBondContact O-N 2.94Å |
| 389 | G | 93.8 | Very high | 97.1 | Very high | 55 Ų | 55 | 39 Ų | 39 | 57% | 0.567 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 10.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A387 | A387-G389 PolarHBondContact O-N 2.92Å; A387-G389 VanDerWaalsContact O-N 3.13Å |
| 390 | Y | 97.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 38.4 Ų | 38.4 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.9 | 175 | -60.7 | -73.4 | 0 | 0 | 0 | 112.3 | K56 Y57 P58 V92 T386 A387 A388 | K56-Y390 HydrophobicContact CD-CD1 4.13Å; K56-Y390 HydrophobicContact CD-CE1 4.01Å; K56-Y390 HydrophobicContact CG-CD1 3.83Å; K56-Y390 HydrophobicContact CG-CE1 3.96Å; K56-Y390 CarbonylContact O-C 3.58Å; K56-Y390 WeakPolarHBondContact O-CA 3.31Å; Y57-Y390 VanDerWaalsContact C-CD1 3.47Å; Y57-Y390 WeakPolarHBondContact O-CD1 3.29Å; Y57-Y390 WeakPolarHBondContact O-CE1 3.48Å; P58-Y390 HydrophobicContact CG-CG 4.41Å; V92-Y390 HydrophobicContact CB-CD2 3.99Å; V92-Y390 HydrophobicContact CB-CE2 4.41Å; V92-Y390 HydrophobicContact CG1-CD2 4.17Å; T386-Y390 CarbonylContact C-O 3.57Å; T386-Y390 VanDerWaalsContact CA-O 3.25Å; T386-Y390 WeakPolarHBondContact CA-O 3.38Å; A387-Y390 PolarHBondContact N-O 2.79Å; A387-Y390 WeakPolarHBondContact O-CB 3.45Å; A387-Y390 PolarHBondContact O-N 3.49Å; A388-Y390 VanDerWaalsContact C-N 3.29Å; A388-Y390 HydrophobicContact CB-CD2 4.3Å; A388-Y390 WeakPolarHBondContact O-CD2 3.35Å; A388-Y390 PolarHBondContact O-N 2.94Å |
| 391 | T | 97.8 | Very high | 97.1 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 24% | 0.239 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.4 | 171.7 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | K56 Y57 P58 P384 Q385 | K56-T391 PolarHBondContact O-N 2.84Å; Y57-T391 WeakPolarHBondContact CD1-O 3.38Å; P58-T391 WeakPolarHBondContact CD-O 3.34Å; P384-T391 HydrophobicContact CB-CG2 4.35Å; Q385-T391 CarbonylContact O-C 3.51Å; Q385-T391 WeakPolarHBondContact O-CA 3.29Å |
| 392 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.8 | 174.9 | -53.8 | 175.5 | 0 | 0 | 0 | 108 | P58 T103 L105 L113 P384 Q385 A387 H396 V398 | P58-I392 HydrophobicContact CG-CG1 4.2Å; T103-I392 HydrophobicContact CG2-CD1 3.92Å; T103-I392 HydrophobicContact CG2-CG1 4.12Å; T103-I392 HydrophobicContact CG2-CG2 4.39Å; L105-I392 HydrophobicContact CD2-CD1 4.02Å; L113-I392 HydrophobicContact CD2-CD1 3.91Å; P384-I392 WeakPolarHBondContact CA-O 3.27Å; Q385-I392 HydrophobicContact CB-CB 4.28Å; Q385-I392 PolarHBondContact N-O 2.8Å; Q385-I392 PolarHBondContact O-N 2.95Å; A387-I392 HydrophobicContact CB-CD1 4.42Å; I392-H396 HydrophobicContact CG2-CB 3.84Å; I392-V398 HydrophobicContact CD1-CG1 4.48Å; I392-V398 HydrophobicContact CD1-CG2 4.46Å; I392-V398 HydrophobicContact CG2-CG2 3.88Å |
| 393 | P | 96.3 | Very high | 97 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 163.3 | -177.1 | 31.9 | -35.3 | 0 | 0 | 0 | 112.5 | Y57 H396 | Y57-P393 HydrophobicContact CD1-CG 4.43Å; Y57-P393 HydrophobicContact CE1-CB 4.36Å; Y57-P393 HydrophobicContact CE1-CG 4.36Å; P393-H396 WeakPolarHBondContact CG-NE2 3.13Å; P393-H396 PolarHBondContact O-N 3.09Å |
| 394 | V | 97.2 | Very high | 97 | Very high | 83 Ų | 83 | 29.4 Ų | 29.4 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 143.1 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | A381 R382 P384 H396 | A381-V394 WeakPolarHBondContact O-CA 3.49Å; A381-V394 WeakPolarHBondContact O-CG1 3.34Å; R382-V394 WeakPolarHBondContact O-CG2 3.3Å; P384-V394 HydrophobicContact CG-CG2 4.21Å; V394-H396 VanDerWaalsContact C-N 3.33Å; V394-H396 PolarHBondContact O-N 2.81Å |
| 395 | G | 96.2 | Very high | 97 | Very high | 39 Ų | 39 | 25.3 Ų | 25.3 | 40% | 0.402 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -6.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | M380 A381 | M380-G395 VanDerWaalsContact SD-C 3.6Å; A381-G395 PolarHBondContact O-N 2.84Å |
| 396 | H | 98.1 | Very high | 97 | Very high | 31 Ų | 31 | 24.3 Ų | 24.3 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | trans | -70.5 | 138.6 | 168.1 | -81 | -150 | 0 | 0 | 0 | 110.8 | T101 T103 A381 I392 P393 V394 V398 | T101-H396 VanDerWaalsContact CG2-CE1 3.4Å; T101-H396 WeakPolarHBondContact CG2-CE1 3.44Å; T101-H396 WeakPolarHBondContact CG2-NE2 3.49Å; T103-H396 PolarHBondContact OG1-ND1 3.08Å; A381-H396 PolarHBondContact N-O 2.62Å; I392-H396 HydrophobicContact CG2-CB 3.84Å; P393-H396 WeakPolarHBondContact CG-NE2 3.13Å; P393-H396 PolarHBondContact O-N 3.09Å; V394-H396 VanDerWaalsContact C-N 3.33Å; V394-H396 PolarHBondContact O-N 2.81Å; H396-V398 PolarHBondContact O-N 2.92Å | ||
| 397 | Q | 98 | Very high | 96.9 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 105 | 164.8 | -67.2 | -168.5 | 12.1 | 0 | 0 | 108.6 | T101 F102 T103 R379 M380 C399 | T101-Q397 PolarHBondContact O-N 3.23Å; F102-Q397 CarbonylContact C-O 3.46Å; F102-Q397 VanDerWaalsContact CA-O 3.27Å; F102-Q397 WeakPolarHBondContact CA-O 3.45Å; F102-Q397 HydrophobicContact CD1-CB 3.89Å; F102-Q397 HydrophobicContact CE1-CB 3.99Å; T103-Q397 PolarHBondContact N-O 3.01Å; R379-Q397 CarbonylContact O-C 3.51Å; R379-Q397 WeakPolarHBondContact O-CA 3.37Å; M380-Q397 HydrophobicContact CE-CG 3.76Å; M380-Q397 HydrophobicContact SD-CG 4.45Å; Q397-C399 PolarHBondContact O-SG 3.01Å |
| 398 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 132.9 | 179 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | T103 L105 M114 L122 M378 R379 A381 I392 H396 | T103-V398 CarbonylContact O-C 3.56Å; T103-V398 WeakPolarHBondContact O-CA 3.47Å; L105-V398 HydrophobicContact CD1-CG1 3.46Å; L105-V398 VanDerWaalsContact CD1-CG1 3.46Å; L105-V398 HydrophobicContact CG-CG1 3.84Å; M114-V398 VanDerWaalsContact CE-C 3.44Å; M114-V398 HydrophobicContact CE-CB 4.34Å; M114-V398 HydrophobicContact CE-CG1 4.04Å; M114-V398 WeakPolarHBondContact CE-O 3.34Å; L122-V398 HydrophobicContact CD1-CG1 4.39Å; L122-V398 HydrophobicContact CD2-CB 4.17Å; L122-V398 HydrophobicContact CD2-CG2 3.77Å; M378-V398 CarbonylContact C-O 3.5Å; M378-V398 WeakPolarHBondContact CA-O 3.32Å; R379-V398 PolarHBondContact N-O 3.38Å; R379-V398 PolarHBondContact O-N 2.84Å; A381-V398 HydrophobicContact CB-CG2 4.14Å; I392-V398 HydrophobicContact CD1-CG1 4.48Å; I392-V398 HydrophobicContact CD1-CG2 4.46Å; I392-V398 HydrophobicContact CG2-CG2 3.88Å; H396-V398 PolarHBondContact O-N 2.92Å |
| 399 | C | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144 | -170.4 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | T103 Y104 L105 T376 M377 Q397 | T103-C399 PolarHBondContact O-N 3.28Å; Y104-C399 CarbonylContact C-O 3.51Å; Y104-C399 WeakPolarHBondContact CA-O 3.26Å; Y104-C399 HydrophobicContact CD1-CB 3.72Å; Y104-C399 HydrophobicContact CD2-CB 3.7Å; Y104-C399 HydrophobicContact CE1-CB 3.61Å; Y104-C399 HydrophobicContact CE2-CB 3.61Å; Y104-C399 HydrophobicContact CG-CB 3.79Å; L105-C399 PolarHBondContact N-O 2.93Å; T376-C399 HydrophobicContact CG2-CB 4.11Å; M377-C399 CarbonylContact O-C 3.57Å; M377-C399 VanDerWaalsContact O-CA 3.26Å; M377-C399 WeakPolarHBondContact O-CA 3.41Å; Q397-C399 PolarHBondContact O-SG 3.01Å |
| 400 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.6 | 164.8 | 169.6 | 0 | 0 | 0 | 0 | 107.7 | L105 A111 M114 F115 T376 M377 I434 | L105-V400 HydrophobicContact CB-CG2 4.03Å; A111-V400 HydrophobicContact CB-CG1 3.99Å; A111-V400 HydrophobicContact CB-CG2 3.81Å; M114-V400 HydrophobicContact CB-CG2 3.85Å; M114-V400 HydrophobicContact CE-CB 4.33Å; M114-V400 HydrophobicContact CE-CG2 3.93Å; M114-V400 HydrophobicContact CG-CG2 4.29Å; M114-V400 HydrophobicContact SD-CB 3.85Å; M114-V400 HydrophobicContact SD-CG2 3.61Å; F115-V400 HydrophobicContact CE2-CG1 3.96Å; F115-V400 HydrophobicContact CE2-CG2 4.49Å; F115-V400 HydrophobicContact CZ-CB 4.35Å; F115-V400 HydrophobicContact CZ-CG1 3.84Å; T376-V400 CarbonylContact C-O 3.4Å; T376-V400 WeakPolarHBondContact CA-O 3.44Å; M377-V400 HydrophobicContact CE-CG1 4.43Å; M377-V400 PolarHBondContact N-O 3.03Å; M377-V400 PolarHBondContact O-N 3.41Å; V400-I434 HydrophobicContact CG1-CD1 3.73Å |
| 401 | S | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -110.8 | 107.2 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | M375 T403 V404 N405 | M375-S401 VanDerWaalsContact O-CA 3.28Å; M375-S401 WeakPolarHBondContact O-CA 3.06Å; M375-S401 WeakPolarHBondContact O-CB 3.32Å; M375-S401 PolarHBondContact O-OG 3.33Å; S401-T403 VanDerWaalsContact C-N 3.26Å; S401-T403 PolarHBondContact O-N 3.09Å; S401-V404 PolarHBondContact O-N 2.73Å; S401-V404 PolarHBondContact OG-N 3.15Å; S401-N405 PolarHBondContact O-N 3.09Å; S401-N405 VanDerWaalsContact O-N 3.08Å | ||
| 402 | P | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -49.1 | -50.8 | 168.2 | -32.1 | 38.9 | 0 | 0 | 0 | 111.7 | P372 M375 M377 V404 N405 H406 I434 | P372-P402 HydrophobicContact CB-CB 4.29Å; P372-P402 HydrophobicContact CG-CB 4.19Å; M375-P402 WeakPolarHBondContact O-CD 3.29Å; M377-P402 HydrophobicContact CE-CG 3.33Å; P402-V404 PolarHBondContact O-N 3.12Å; P402-V404 VanDerWaalsContact O-N 3.11Å; P402-N405 PolarHBondContact O-N 3.37Å; P402-N405 VanDerWaalsContact O-N 3.13Å; P402-H406 VanDerWaalsContact O-CB 3.27Å; P402-H406 WeakPolarHBondContact O-CB 3.5Å; P402-H406 PolarHBondContact O-CD2 3.01Å; P402-H406 PolarHBondContact O-N 2.85Å; P402-H406 PolarHBondContact O-NE2 2.97Å; P402-I434 HydrophobicContact CB-CG1 4.19Å; P402-I434 HydrophobicContact CG-CD1 4.3Å; P402-I434 HydrophobicContact CG-CG1 4.33Å |
| 403 | T | 96.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -32.6 | -175.2 | -25.6 | 0 | 0 | 0 | 0 | 113.7 | I79 P372 M375 S401 R407 | I79-T403 HydrophobicContact CD1-CG2 3.88Å; I79-T403 HydrophobicContact CG1-CG2 4.48Å; P372-T403 HydrophobicContact CG-CG2 3.89Å; M375-T403 VanDerWaalsContact CA-OG1 3.23Å; M375-T403 WeakPolarHBondContact CA-OG1 3.26Å; M375-T403 WeakPolarHBondContact CB-OG1 3.49Å; M375-T403 PolarHBondContact O-OG1 3.42Å; S401-T403 VanDerWaalsContact C-N 3.26Å; S401-T403 PolarHBondContact O-N 3.09Å; T403-R407 VanDerWaalsContact O-CG 3.3Å; T403-R407 WeakPolarHBondContact O-CG 3.42Å; T403-R407 PolarHBondContact O-NE 3.02Å |
| 404 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.1 | -51.5 | 175.8 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | I79 L82 E83 L106 S401 P402 H406 R407 L408 | I79-V404 HydrophobicContact CD1-CG2 4.5Å; L82-V404 HydrophobicContact CB-CG2 3.82Å; L82-V404 HydrophobicContact CD1-CG2 3.93Å; E83-V404 HydrophobicContact CG-CG1 4.48Å; L106-V404 HydrophobicContact CD1-CG1 4.07Å; L106-V404 HydrophobicContact CD2-CB 4.14Å; L106-V404 HydrophobicContact CD2-CG1 4.11Å; S401-V404 PolarHBondContact O-N 2.73Å; S401-V404 PolarHBondContact OG-N 3.15Å; P402-V404 PolarHBondContact O-N 3.12Å; P402-V404 VanDerWaalsContact O-N 3.11Å; V404-H406 PolarHBondContact O-N 3.28Å; V404-H406 VanDerWaalsContact O-N 3.14Å; V404-R407 CarbonylContact O-C 3.54Å; V404-R407 PolarHBondContact O-N 3.11Å; V404-L408 HydrophobicContact CG1-CD2 4.09Å; V404-L408 HydrophobicContact CG1-CG 4.18Å; V404-L408 WeakPolarHBondContact O-CG 3.29Å; V404-L408 PolarHBondContact O-N 2.74Å |
| 405 | N | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.2 | -37.6 | 179.6 | -80.9 | 30.3 | 0 | 0 | 0 | 112.8 | G107 S401 P402 R407 W412 F431 A432 I434 | G107-N405 PolarHBondContact N-OD1 3.43Å; G107-N405 PolarHBondContact O-ND2 2.84Å; S401-N405 PolarHBondContact O-N 3.09Å; S401-N405 VanDerWaalsContact O-N 3.08Å; P402-N405 PolarHBondContact O-N 3.37Å; P402-N405 VanDerWaalsContact O-N 3.13Å; N405-R407 PolarHBondContact O-N 3.2Å; N405-W412 PolarHBondContact O-NE1 3.36Å; N405-F431 PolarHBondContact ND2-O 3.09Å; N405-A432 CarbonylContact C-O 3.51Å; N405-I434 HydrophobicContact CB-CD1 4.42Å |
| 406 | H | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.2 | -178.2 | -67.5 | -174.4 | 0 | 0 | 0 | 114.2 | L368 R369 P402 V404 W412 A432 I434 | L368-H406 PolarHBondContact O-ND1 2.96Å; R369-H406 WeakPolarHBondContact CD-O 3.32Å; R369-H406 HydrophobicContact CG-CB 3.7Å; R369-H406 VanDerWaalsContact CG-O 3.23Å; R369-H406 WeakPolarHBondContact CG-O 3.3Å; R369-H406 PolarHBondContact NH1-O 2.97Å; R369-H406 WeakPolarHBondContact O-CB 3.27Å; R369-H406 PolarHBondContact O-ND1 2.73Å; P402-H406 VanDerWaalsContact O-CB 3.27Å; P402-H406 WeakPolarHBondContact O-CB 3.5Å; P402-H406 PolarHBondContact O-CD2 3.01Å; P402-H406 PolarHBondContact O-N 2.85Å; P402-H406 PolarHBondContact O-NE2 2.97Å; V404-H406 PolarHBondContact O-N 3.28Å; V404-H406 VanDerWaalsContact O-N 3.14Å; H406-W412 VanDerWaalsContact C-CD1 3.41Å; H406-W412 PolarHBondContact O-NE1 3.27Å; H406-A432 WeakPolarHBondContact CA-O 3.34Å; H406-A432 PolarHBondContact CD2-O 2.81Å; H406-A432 PolarHBondContact N-O 3.37Å; H406-I434 VanDerWaalsContact NE2-CG1 3.33Å; H406-I434 WeakPolarHBondContact NE2-CG1 3.24Å; H406-I434 PolarHBondContact NE2-N 3.48Å |
| 407 | R | 95.1 | Very high | 95.2 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141 | 19.6 | 178.8 | 71.9 | 177.6 | 124.8 | 174.7 | -2.7 | 113.5 | E83 T403 V404 N405 R409 R415 | E83-R407 WeakPolarHBondContact OE1-CD 3.29Å; E83-R407 IonicContact OE1-NE 3.52Å; T403-R407 VanDerWaalsContact O-CG 3.3Å; T403-R407 WeakPolarHBondContact O-CG 3.42Å; T403-R407 PolarHBondContact O-NE 3.02Å; V404-R407 CarbonylContact O-C 3.54Å; V404-R407 PolarHBondContact O-N 3.11Å; N405-R407 PolarHBondContact O-N 3.2Å; R407-R409 PolarHBondContact O-N 3.3Å; R407-R415 HydrophobicContact CB-CB 4.23Å; R407-R415 HydrophobicContact CB-CG 4.46Å; R407-R415 WeakPolarHBondContact O-CB 3.22Å; R407-R415 WeakPolarHBondContact O-CD 3.28Å; R407-R415 PolarHBondContact O-NH1 2.89Å |
| 408 | L | 94.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | trans | -57.9 | 138.1 | 174.3 | -92 | 173.1 | 0 | 0 | 0 | 109.9 | Y86 V404 D410 A411 W412 | Y86-L408 HydrophobicContact CD1-CD2 3.88Å; Y86-L408 HydrophobicContact CD2-CD2 4.24Å; Y86-L408 HydrophobicContact CE1-CD2 3.74Å; Y86-L408 HydrophobicContact CE2-CD2 4.08Å; Y86-L408 HydrophobicContact CG-CD2 4.13Å; V404-L408 HydrophobicContact CG1-CD2 4.09Å; V404-L408 HydrophobicContact CG1-CG 4.18Å; V404-L408 WeakPolarHBondContact O-CG 3.29Å; V404-L408 PolarHBondContact O-N 2.74Å; L408-D410 VanDerWaalsContact C-N 3.29Å; L408-D410 WeakPolarHBondContact CB-OD1 3.33Å; L408-D410 PolarHBondContact O-N 3.48Å; L408-A411 HydrophobicContact CB-CB 4.29Å; L408-A411 PolarHBondContact O-N 3.45Å; L408-W412 PolarHBondContact O-N 2.8Å | ||
| 409 | R | 90.2 | Very high | 95.1 | Very high | 159 Ų | 159 | 47.4 Ų | 47.4 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -32.8 | -171.8 | -68 | 179.4 | -175.2 | -81.3 | 1.7 | 112.9 | E87 R407 | E87-R409 IonicContact OE1-CZ 3.05Å; E87-R409 IonicContact OE1-NE 2.79Å; E87-R409 PolarHBondContact OE1-NE 2.8Å; E87-R409 IonicContact OE1-NH2 3.23Å; R407-R409 PolarHBondContact O-N 3.3Å |
| 410 | D | 88.4 | Confident | 95 | Very high | 113 Ų | 113 | 47.5 Ų | 47.5 | 60% | 0.604 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -23 | -179.9 | 58.4 | -14.7 | 0 | 0 | 0 | 113.1 | Y86 L408 | Y86-D410 PolarHBondContact OH-OD2 2.81Å; Y86-D410 VanDerWaalsContact OH-OD2 3.05Å; L408-D410 VanDerWaalsContact C-N 3.29Å; L408-D410 WeakPolarHBondContact CB-OD1 3.33Å; L408-D410 PolarHBondContact O-N 3.48Å |
| 411 | A | 89.4 | Confident | 94.8 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 35% | 0.347 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -24.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L408 A432 | L408-A411 HydrophobicContact CB-CB 4.29Å; L408-A411 PolarHBondContact O-N 3.45Å; A411-A432 HydrophobicContact CB-CB 4.46Å |
| 412 | W | 93 | Very high | 94.6 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | trans | -126.6 | 112.4 | -173.2 | -62 | 88.8 | 0 | 0 | 0 | 112.4 | R369 N405 H406 L408 R415 Y423 A428 A432 Y433 | R369-W412 VanDerWaalsContact CD-CE3 3.49Å; R369-W412 HydrophobicContact CG-CH2 4.24Å; R369-W412 HydrophobicContact CG-CZ2 4.37Å; R369-W412 HydrophobicContact CG-CZ3 4.39Å; N405-W412 PolarHBondContact O-NE1 3.36Å; H406-W412 VanDerWaalsContact C-CD1 3.41Å; H406-W412 PolarHBondContact O-NE1 3.27Å; L408-W412 PolarHBondContact O-N 2.8Å; W412-R415 HydrophobicContact CB-CB 3.96Å; W412-R415 WeakPolarHBondContact O-CB 3.31Å; W412-Y423 HydrophobicContact CH2-CE1 4.33Å; W412-Y423 HydrophobicContact CZ3-CE1 4.16Å; W412-A428 HydrophobicContact CH2-CB 4.14Å; W412-A428 HydrophobicContact CZ2-CB 4.41Å; W412-A432 HydrophobicContact CZ2-CB 4.3Å; W412-Y433 HydrophobicContact CH2-CD2 4.14Å; W412-Y433 HydrophobicContact CH2-CG 4.43Å; W412-Y433 HydrophobicContact CZ2-CD2 4.32Å | ||
| 413 | M | 91.3 | Very high | 94.4 | Very high | 158 Ų | 158 | 52.3 Ų | 52.3 | 78% | 0.778 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 141.9 | 166.7 | -65.8 | -169.5 | -70.7 | 0 | 0 | 110.6 | R415 R422 | M413-R415 PolarHBondContact O-N 3.29Å; M413-R422 PolarHBondContact O-NH1 2.87Å; M413-R422 PolarHBondContact O-NH2 3.09Å |
| 414 | E | 93.6 | Very high | 94 | Very high | 106 Ų | 106 | 57.4 Ų | 57.4 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 47.7 | -178.6 | -61.2 | 174.7 | 134.6 | 0 | 0 | 110.9 | M416 E417 R419 R422 | E414-M416 PolarHBondContact O-N 3.3Å; E414-E417 HydrophobicContact CB-CB 4.12Å; E414-E417 HydrophobicContact CB-CG 3.9Å; E414-E417 PolarHBondContact O-N 2.98Å; E414-R419 IonicContact OE2-CZ 3.88Å; E414-R419 IonicContact OE2-NH1 3.04Å; E414-R419 PolarHBondContact OE2-NH1 3.03Å; E414-R422 PolarHBondContact O-NH2 2.84Å |
| 415 | R | 94.1 | Very high | 93.1 | Very high | 32 Ų | 32 | 63.6 Ų | 63.6 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.8 | -164.1 | 78.1 | -160.7 | -168.1 | 81.7 | -4.4 | 115.2 | E83 R369 R407 W412 M413 | E83-R415 IonicContact OE1-CZ 3.01Å; E83-R415 IonicContact OE1-NH1 3.73Å; E83-R415 PolarHBondContact OE1-NH1 2.8Å; E83-R415 IonicContact OE1-NH2 3Å; E83-R415 IonicContact OE2-CZ 2.73Å; E83-R415 IonicContact OE2-NH1 2.73Å; E83-R415 PolarHBondContact OE2-NH1 2.84Å; E83-R415 IonicContact OE2-NH2 3.6Å; E83-R415 PolarHBondContact OE2-NH2 2.85Å; R369-R415 PolarHBondContact NH1-O 3.46Å; R369-R415 PolarHBondContact NH2-O 2.82Å; R407-R415 HydrophobicContact CB-CB 4.23Å; R407-R415 HydrophobicContact CB-CG 4.46Å; R407-R415 WeakPolarHBondContact O-CB 3.22Å; R407-R415 WeakPolarHBondContact O-CD 3.28Å; R407-R415 PolarHBondContact O-NH1 2.89Å; W412-R415 HydrophobicContact CB-CB 3.96Å; W412-R415 WeakPolarHBondContact O-CB 3.31Å; M413-R415 PolarHBondContact O-N 3.29Å |
| 416 | M | 96.1 | Very high | 91.6 | Very high | 90 Ų | 90 | 68.2 Ų | 68.2 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -15.3 | -177.4 | -61.5 | -55.3 | -69.5 | 0 | 0 | 113.2 | E414 | E414-M416 PolarHBondContact O-N 3.3Š|
| 417 | E | 96.6 | Very high | 89.9 | Confident | 117 Ų | 117 | 74.5 Ų | 74.5 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -77.1 | 136.8 | -178.5 | -61 | -54.7 | 141.4 | 0 | 0 | 110.8 | R369 E414 R419 R422 | R369-E417 PolarHBondContact NH2-O 3.3Å; E414-E417 HydrophobicContact CB-CB 4.12Å; E414-E417 HydrophobicContact CB-CG 3.9Å; E414-E417 PolarHBondContact O-N 2.98Å; E417-R419 PolarHBondContact O-N 2.87Å; E417-R422 PolarHBondContact O-NH2 3.32Å |
| 418 | F | 98.2 | Very high | 88.5 | Confident | 28 Ų | 28 | 76 Ų | 76 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | trans | -80.9 | 96.7 | 170.5 | -174.8 | -91.3 | 0 | 0 | 0 | 108.8 | L320 F323 L330 C363 E366 T367 L370 P420 | L320-F418 HydrophobicContact CD1-CZ 4.48Å; F323-F418 HydrophobicContact CB-CD1 3.94Å; F323-F418 HydrophobicContact CB-CD2 3.76Å; F323-F418 HydrophobicContact CB-CE1 3.82Å; F323-F418 HydrophobicContact CB-CE2 3.66Å; F323-F418 HydrophobicContact CB-CG 3.91Å; F323-F418 HydrophobicContact CB-CZ 3.7Å; F323-F418 HydrophobicContact CD1-CB 3.69Å; F323-F418 HydrophobicContact CD1-CD1 4.38Å; F323-F418 AromaticContact CD1-CD2 3.43Å; F323-F418 HydrophobicContact CD1-CD2 3.43Å; F323-F418 VanDerWaalsContact CD1-CD2 3.43Å; F323-F418 HydrophobicContact CD1-CE2 4.15Å; F323-F418 AromaticContact CD1-CG 3.58Å; F323-F418 HydrophobicContact CD1-CG 3.58Å; F323-F418 AromaticContact CD2-CD2 3.45Å; F323-F418 HydrophobicContact CD2-CD2 3.45Å; F323-F418 VanDerWaalsContact CD2-CD2 3.45Å; F323-F418 AromaticContact CD2-CE2 3.39Å; F323-F418 HydrophobicContact CD2-CE2 3.39Å; F323-F418 HydrophobicContact CD2-CG 4.35Å; F323-F418 HydrophobicContact CD2-CZ 4.24Å; F323-F418 HydrophobicContact CE1-CB 3.94Å; F323-F418 AromaticContact CE1-CD2 3.78Å; F323-F418 HydrophobicContact CE1-CD2 3.78Å; F323-F418 HydrophobicContact CE1-CG 4.13Å; F323-F418 AromaticContact CE2-CD2 3.8Å; F323-F418 HydrophobicContact CE2-CD2 3.8Å; F323-F418 HydrophobicContact CE2-CE2 4.01Å; F323-F418 HydrophobicContact CG-CB 4.34Å; F323-F418 HydrophobicContact CG-CD1 4.27Å; F323-F418 AromaticContact CG-CD2 3.26Å; F323-F418 HydrophobicContact CG-CD2 3.26Å; F323-F418 HydrophobicContact CG-CE1 4.42Å; F323-F418 AromaticContact CG-CE2 3.48Å; F323-F418 HydrophobicContact CG-CE2 3.48Å; F323-F418 VanDerWaalsContact CG-CE2 3.48Å; F323-F418 AromaticContact CG-CG 3.71Å; F323-F418 HydrophobicContact CG-CG 3.71Å; F323-F418 HydrophobicContact CG-CZ 4.08Å; F323-F418 AromaticContact CZ-CD2 3.95Å; F323-F418 HydrophobicContact CZ-CD2 3.95Å; L330-F418 HydrophobicContact CD2-CD1 4.04Å; L330-F418 HydrophobicContact CD2-CE1 3.61Å; C363-F418 HydrophobicContact CB-CZ 4.22Å; C363-F418 WeakPolarHBondContact O-CZ 3.33Å; E366-F418 HydrophobicContact CB-CD2 4.14Å; E366-F418 HydrophobicContact CB-CE2 3.79Å; E366-F418 HydrophobicContact CB-CZ 4.13Å; E366-F418 HydrophobicContact CG-CD1 4.48Å; E366-F418 HydrophobicContact CG-CD2 3.54Å; E366-F418 HydrophobicContact CG-CE2 3.74Å; E366-F418 HydrophobicContact CG-CG 3.94Å; E366-F418 HydrophobicContact CG-CZ 4.3Å; T367-F418 WeakPolarHBondContact OG1-CE2 3.27Å; L370-F418 HydrophobicContact CD1-CB 3.95Å; L370-F418 HydrophobicContact CD1-CD2 3.94Å; L370-F418 HydrophobicContact CD1-CG 4.44Å; F418-P420 HydrophobicContact CD1-CG 4.27Å; F418-P420 HydrophobicContact CE1-CG 3.75Å; F418-P420 HydrophobicContact CZ-CG 4.32Å | ||
| 419 | R | 96.1 | Very high | 87.5 | Confident | 107 Ų | 107 | 80.4 Ų | 80.4 | 40% | 0.404 | 40% | 0.404 | S | S | . | . | trans | -132.4 | 87.4 | -173.9 | -173.3 | -179.1 | 166.8 | -164.6 | -4.3 | 111.6 | E366 E414 E417 E421 R422 | E366-R419 PolarHBondContact OE1-N 3.35Å; E414-R419 IonicContact OE2-CZ 3.88Å; E414-R419 IonicContact OE2-NH1 3.04Å; E414-R419 PolarHBondContact OE2-NH1 3.03Å; E417-R419 PolarHBondContact O-N 2.87Å; R419-E421 HydrophobicContact CG-CB 4.42Å; R419-E421 PolarHBondContact O-N 3.1Å; R419-E421 VanDerWaalsContact O-N 3.12Å; R419-R422 WeakPolarHBondContact O-CB 3.36Å; R419-R422 VanDerWaalsContact O-CG 3.22Å; R419-R422 WeakPolarHBondContact O-CG 3.36Å; R419-R422 PolarHBondContact O-N 3.45Å; R419-R422 VanDerWaalsContact O-N 3.08Å | ||
| 420 | P | 96.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.013 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -55.5 | -28.9 | 179.4 | -26.7 | 35.9 | 0 | 0 | 0 | 114.4 | L330 L359 R362 C363 F418 R422 Y423 | L330-P420 HydrophobicContact CD1-CG 4.27Å; L330-P420 HydrophobicContact CD2-CG 3.79Å; L359-P420 HydrophobicContact CD1-CB 4.35Å; R362-P420 HydrophobicContact CB-CB 3.82Å; C363-P420 HydrophobicContact CB-CG 4.39Å; C363-P420 VanDerWaalsContact SG-CG 3.58Å; F418-P420 HydrophobicContact CD1-CG 4.27Å; F418-P420 HydrophobicContact CE1-CG 3.75Å; F418-P420 HydrophobicContact CZ-CG 4.32Å; P420-R422 PolarHBondContact O-N 2.86Å; P420-Y423 VanDerWaalsContact O-CD2 3.29Å; P420-Y423 WeakPolarHBondContact O-CD2 3.39Å; P420-Y423 PolarHBondContact O-N 2.91Å |
| 421 | E | 94.8 | Very high | 86.9 | Confident | 44 Ų | 44 | 75.6 Ų | 75.6 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -64.3 | -17.5 | 179.1 | -68.8 | 74.4 | -166.1 | 0 | 0 | 113.4 | R333 R419 Y423 L424 | R333-E421 IonicContact CZ-OE1 2.8Å; R333-E421 VanDerWaalsContact CZ-OE1 3.23Å; R333-E421 IonicContact NH1-OE1 2.7Å; R333-E421 PolarHBondContact NH1-OE1 3.39Å; R333-E421 IonicContact NH2-OE1 3.88Å; R333-E421 PolarHBondContact NH2-OE1 2.92Å; R419-E421 HydrophobicContact CG-CB 4.42Å; R419-E421 PolarHBondContact O-N 3.1Å; R419-E421 VanDerWaalsContact O-N 3.12Å; E421-Y423 PolarHBondContact O-N 3.43Å; E421-L424 HydrophobicContact CB-CD1 4.25Å; E421-L424 HydrophobicContact CG-CD1 4.39Å; E421-L424 WeakPolarHBondContact O-CB 3.41Å; E421-L424 PolarHBondContact O-N 3.36Å |
| 422 | R | 93.5 | Very high | 87.1 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 14% | 0.136 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -55.8 | -28.1 | 178.8 | 73.8 | 172.4 | 56.8 | -107.9 | 3.3 | 112.8 | E366 M413 E414 E417 R419 P420 L424 | E366-R422 IonicContact OE1-CZ 3.08Å; E366-R422 IonicContact OE1-NE 2.79Å; E366-R422 PolarHBondContact OE1-NE 3.1Å; E366-R422 IonicContact OE1-NH2 3.47Å; E366-R422 PolarHBondContact OE1-NH2 3.45Å; E366-R422 WeakPolarHBondContact OE2-CD 3.42Å; E366-R422 IonicContact OE2-NE 3.34Å; E366-R422 PolarHBondContact OE2-NE 3.24Å; M413-R422 PolarHBondContact O-NH1 2.87Å; M413-R422 PolarHBondContact O-NH2 3.09Å; E414-R422 PolarHBondContact O-NH2 2.84Å; E417-R422 PolarHBondContact O-NH2 3.32Å; R419-R422 WeakPolarHBondContact O-CB 3.36Å; R419-R422 VanDerWaalsContact O-CG 3.22Å; R419-R422 WeakPolarHBondContact O-CG 3.36Å; R419-R422 PolarHBondContact O-N 3.45Å; R419-R422 VanDerWaalsContact O-N 3.08Å; P420-R422 PolarHBondContact O-N 2.86Å; R422-L424 VanDerWaalsContact C-N 3.29Å; R422-L424 PolarHBondContact O-N 3.21Å |
| 423 | Y | 92.8 | Very high | 87.2 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -82.4 | -1.5 | -178.1 | -54.9 | -62.8 | 0 | 0 | 0 | 114.2 | R362 K365 E366 W412 P420 E421 N425 | R362-Y423 HydrophobicContact CB-CD2 4.16Å; R362-Y423 HydrophobicContact CG-CD2 4.14Å; K365-Y423 HydrophobicContact CB-CD2 4.33Å; K365-Y423 HydrophobicContact CB-CE2 3.82Å; K365-Y423 HydrophobicContact CD-CD1 3.76Å; K365-Y423 HydrophobicContact CD-CD2 3.91Å; K365-Y423 HydrophobicContact CD-CE1 3.73Å; K365-Y423 HydrophobicContact CD-CE2 3.88Å; K365-Y423 HydrophobicContact CD-CG 3.83Å; K365-Y423 VanDerWaalsContact CE-CE1 3.5Å; K365-Y423 HydrophobicContact CG-CD2 4.34Å; K365-Y423 HydrophobicContact CG-CE1 4.05Å; K365-Y423 HydrophobicContact CG-CE2 3.83Å; K365-Y423 PolarHBondContact O-OH 3.18Å; E366-Y423 HydrophobicContact CB-CE2 3.97Å; E366-Y423 PolarHBondContact OE2-OH 2.57Å; W412-Y423 HydrophobicContact CH2-CE1 4.33Å; W412-Y423 HydrophobicContact CZ3-CE1 4.16Å; P420-Y423 VanDerWaalsContact O-CD2 3.29Å; P420-Y423 WeakPolarHBondContact O-CD2 3.39Å; P420-Y423 PolarHBondContact O-N 2.91Å; E421-Y423 PolarHBondContact O-N 3.43Å; Y423-N425 VanDerWaalsContact C-N 3.27Å |
| 424 | L | 89.4 | Confident | 87.4 | Confident | 111 Ų | 111 | 67.9 Ų | 67.9 | 58% | 0.581 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -69.4 | -28.1 | 173.2 | -72.2 | 173.8 | 0 | 0 | 0 | 112.6 | E421 R422 | E421-L424 HydrophobicContact CB-CD1 4.25Å; E421-L424 HydrophobicContact CG-CD1 4.39Å; E421-L424 WeakPolarHBondContact O-CB 3.41Å; E421-L424 PolarHBondContact O-N 3.36Å; R422-L424 VanDerWaalsContact C-N 3.29Å; R422-L424 PolarHBondContact O-N 3.21Å |
| 425 | N | 77.2 | Confident | 87.6 | Confident | 131 Ų | 131 | 63.7 Ų | 63.7 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -114.9 | 42 | -176.8 | -60 | -29.9 | 0 | 0 | 0 | 110.5 | Y423 T427 | Y423-N425 VanDerWaalsContact C-N 3.27Å; N425-T427 WeakPolarHBondContact O-CG2 3.35Å; N425-T427 PolarHBondContact O-N 3.03Å; N425-T427 VanDerWaalsContact O-N 3.13Å; N425-T427 PolarHBondContact O-OG1 3.26Å |
| 426 | D | 66.6 | Low | 87.8 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | trans | -48.2 | 114.9 | -164.8 | -155.2 | -5.1 | 0 | 0 | 0 | 113.2 | K365 | K365-D426 IonicContact NZ-OD2 3.29Å; K365-D426 PolarHBondContact NZ-OD2 3.39Å | ||
| 427 | T | 60.3 | Low | 87.8 | Confident | 131 Ų | 131 | 60.1 Ų | 60.1 | 80% | 0.804 | 31% | 0.305 | S | S | * | . | trans | -137.3 | 12.8 | -175.8 | 38.9 | 0 | 0 | 0 | 0 | 112 | N425 | N425-T427 WeakPolarHBondContact O-CG2 3.35Å; N425-T427 PolarHBondContact O-N 3.03Å; N425-T427 VanDerWaalsContact O-N 3.13Å; N425-T427 PolarHBondContact O-OG1 3.26Å | ||
| 428 | A | 66.1 | Low | 87.7 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | trans | -70.2 | 134.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W412 | W412-A428 HydrophobicContact CH2-CB 4.14Å; W412-A428 HydrophobicContact CZ2-CB 4.41Å | ||
| 429 | D | 72.9 | Confident | 87.6 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | trans | -60.5 | 154.3 | 174.5 | -72.9 | -39.4 | 0 | 0 | 0 | 112.7 | F431 A432 | D429-F431 VanDerWaalsContact C-N 3.26Å; D429-F431 PolarHBondContact O-N 3.47Å; D429-A432 HydrophobicContact CB-CB 4.05Å; D429-A432 WeakPolarHBondContact O-CB 3.4Å; D429-A432 PolarHBondContact O-N 2.81Å | ||
| 430 | K | 77 | Confident | 87.5 | Confident | 159 Ų | 159 | 56.5 Ų | 56.5 | 69% | 0.691 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | -38.4 | -170.9 | -172.7 | 174.9 | 178.7 | 176.7 | 0 | 115.4 | ||
| 431 | F | 90 | Very high | 87.5 | Confident | 11 Ų | 11 | 58 Ų | 58 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 18.3 | 178.7 | -54.5 | -59.7 | 0 | 0 | 0 | 113.6 | S108 T112 F115 N405 D429 I434 A438 | S108-F431 PolarHBondContact OG-N 3.34Å; S108-F431 VanDerWaalsContact OG-N 3.1Å; T112-F431 HydrophobicContact CG2-CE2 4.03Å; T112-F431 VanDerWaalsContact OG1-CD2 3.28Å; T112-F431 WeakPolarHBondContact OG1-CD2 3.5Å; T112-F431 VanDerWaalsContact OG1-CE2 3.31Å; T112-F431 WeakPolarHBondContact OG1-CE2 3.35Å; F115-F431 HydrophobicContact CB-CD1 4.5Å; F115-F431 HydrophobicContact CB-CE1 3.97Å; F115-F431 HydrophobicContact CB-CZ 4.06Å; F115-F431 HydrophobicContact CD2-CB 4.37Å; F115-F431 AromaticContact CD2-CD1 3.76Å; F115-F431 HydrophobicContact CD2-CD1 3.76Å; F115-F431 HydrophobicContact CD2-CE1 4.1Å; F115-F431 AromaticContact CD2-CG 3.97Å; F115-F431 HydrophobicContact CD2-CG 3.97Å; F115-F431 HydrophobicContact CE2-CB 4.48Å; F115-F431 HydrophobicContact CE2-CD1 4.4Å; F115-F431 HydrophobicContact CG-CD1 4.36Å; F115-F431 HydrophobicContact CG-CE1 4.29Å; N405-F431 PolarHBondContact ND2-O 3.09Å; D429-F431 VanDerWaalsContact C-N 3.26Å; D429-F431 PolarHBondContact O-N 3.47Å; F431-I434 HydrophobicContact CB-CG2 4.06Å; F431-I434 HydrophobicContact CD1-CG2 4.1Å; F431-A438 HydrophobicContact CD1-CB 4.17Å; F431-A438 HydrophobicContact CE1-CB 3.77Å |
| 432 | A | 92.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -30.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N405 H406 A411 W412 D429 | N405-A432 CarbonylContact C-O 3.51Å; H406-A432 WeakPolarHBondContact CA-O 3.34Å; H406-A432 PolarHBondContact CD2-O 2.81Å; H406-A432 PolarHBondContact N-O 3.37Å; A411-A432 HydrophobicContact CB-CB 4.46Å; W412-A432 HydrophobicContact CZ2-CB 4.3Å; D429-A432 HydrophobicContact CB-CB 4.05Å; D429-A432 WeakPolarHBondContact O-CB 3.4Å; D429-A432 PolarHBondContact O-N 2.81Å |
| 433 | Y | 95.5 | Very high | 87.7 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 18% | 0.18 | 34% | 0.336 | C | S | . | . | trans | -120.8 | 106.7 | 174.8 | -172.6 | -105.3 | 0 | 0 | 0 | 111.4 | K365 R369 W412 P435 | K365-Y433 WeakPolarHBondContact CA-OH 3.26Å; K365-Y433 HydrophobicContact CD-CE1 4.43Å; K365-Y433 HydrophobicContact CG-CE1 3.81Å; K365-Y433 HydrophobicContact CG-CE2 4.26Å; K365-Y433 VanDerWaalsContact CG-CZ 3.49Å; K365-Y433 WeakPolarHBondContact CG-OH 3.41Å; K365-Y433 PolarHBondContact O-OH 2.93Å; R369-Y433 HydrophobicContact CB-CD2 4.23Å; R369-Y433 HydrophobicContact CB-CE2 3.79Å; R369-Y433 HydrophobicContact CG-CD2 4.21Å; R369-Y433 HydrophobicContact CG-CE2 4.29Å; W412-Y433 HydrophobicContact CH2-CD2 4.14Å; W412-Y433 HydrophobicContact CH2-CG 4.43Å; W412-Y433 HydrophobicContact CZ2-CD2 4.32Å; Y433-P435 HydrophobicContact CD1-CG 4.31Å; Y433-P435 HydrophobicContact CE1-CG 3.65Å; Y433-P435 HydrophobicContact CE2-CG 4.03Å; Y433-P435 VanDerWaalsContact CZ-CG 3.5Å | ||
| 434 | I | 96.6 | Very high | 87.9 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | trans | -141.1 | 42.5 | -169 | 53.1 | 169.4 | 0 | 0 | 0 | 114.4 | F115 M377 V400 P402 N405 H406 F431 F436 G437 | F115-I434 HydrophobicContact CE2-CD1 3.6Å; F115-I434 HydrophobicContact CE2-CG2 4.3Å; F115-I434 HydrophobicContact CZ-CD1 3.6Å; M377-I434 HydrophobicContact CE-CD1 4.35Å; V400-I434 HydrophobicContact CG1-CD1 3.73Å; P402-I434 HydrophobicContact CB-CG1 4.19Å; P402-I434 HydrophobicContact CG-CD1 4.3Å; P402-I434 HydrophobicContact CG-CG1 4.33Å; N405-I434 HydrophobicContact CB-CD1 4.42Å; H406-I434 VanDerWaalsContact NE2-CG1 3.33Å; H406-I434 WeakPolarHBondContact NE2-CG1 3.24Å; H406-I434 PolarHBondContact NE2-N 3.48Å; F431-I434 HydrophobicContact CB-CG2 4.06Å; F431-I434 HydrophobicContact CD1-CG2 4.1Å; I434-F436 PolarHBondContact O-N 3.19Å; I434-G437 PolarHBondContact O-N 2.75Å; I434-G437 VanDerWaalsContact O-N 3.1Å | ||
| 435 | P | 96.9 | Very high | 88.3 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.1 | -177.2 | 29.3 | -37.8 | 0 | 0 | 0 | 113.5 | L368 Y433 | L368-P435 HydrophobicContact CB-CB 3.92Å; L368-P435 HydrophobicContact CB-CG 4.25Å; L368-P435 HydrophobicContact CD2-CB 4.39Å; Y433-P435 HydrophobicContact CD1-CG 4.31Å; Y433-P435 HydrophobicContact CE1-CG 3.65Å; Y433-P435 HydrophobicContact CE2-CG 4.03Å; Y433-P435 VanDerWaalsContact CZ-CG 3.5Å |
| 436 | F | 97.5 | Very high | 89.3 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 11.5 | 177.5 | -65.4 | -75.7 | 0 | 0 | 0 | 113.2 | L368 I434 C443 E446 A449 Y450 | L368-F436 HydrophobicContact CD1-CE2 3.63Å; L368-F436 HydrophobicContact CD1-CZ 3.76Å; I434-F436 PolarHBondContact O-N 3.19Å; F436-C443 HydrophobicContact CB-CB 3.88Å; F436-C443 HydrophobicContact CD1-CB 3.92Å; F436-C443 HydrophobicContact CG-CB 4.38Å; F436-C443 WeakPolarHBondContact O-CB 3.38Å; F436-C443 PolarHBondContact O-N 3.43Å; F436-E446 HydrophobicContact CD1-CB 3.93Å; F436-E446 HydrophobicContact CD1-CG 4.21Å; F436-E446 HydrophobicContact CD2-CB 4.27Å; F436-E446 HydrophobicContact CD2-CG 3.65Å; F436-E446 HydrophobicContact CE1-CB 4.18Å; F436-E446 HydrophobicContact CE1-CG 4.31Å; F436-E446 HydrophobicContact CE2-CG 3.8Å; F436-E446 HydrophobicContact CG-CB 3.98Å; F436-E446 HydrophobicContact CG-CG 3.89Å; F436-E446 HydrophobicContact CZ-CB 4.48Å; F436-E446 HydrophobicContact CZ-CG 4.12Å; F436-A449 HydrophobicContact CE1-CB 4.26Å; F436-A449 HydrophobicContact CZ-CB 4.39Å; F436-Y450 HydrophobicContact CE2-CD2 4.49Å; F436-Y450 AromaticContact CE2-CE2 3.7Å; F436-Y450 HydrophobicContact CE2-CE2 3.7Å; F436-Y450 HydrophobicContact CZ-CD2 4.47Å; F436-Y450 HydrophobicContact CZ-CE2 4.06Å |
| 437 | G | 96.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | trans | 63.2 | -169.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I434 | I434-G437 PolarHBondContact O-N 2.75Å; I434-G437 VanDerWaalsContact O-N 3.1Å | ||
| 438 | A | 95.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 17% | 0.174 | 27% | 0.266 | C | S | . | . | trans | -148.3 | 175.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F115 F431 | F115-A438 HydrophobicContact CB-CB 3.97Å; F115-A438 HydrophobicContact CD1-CB 3.76Å; F115-A438 HydrophobicContact CD2-CB 4.4Å; F115-A438 HydrophobicContact CE1-CB 4.39Å; F115-A438 HydrophobicContact CG-CB 3.78Å; F431-A438 HydrophobicContact CD1-CB 4.17Å; F431-A438 HydrophobicContact CE1-CB 3.77Å | ||
| 439 | G | 94.8 | Very high | 94 | Very high | 46 Ų | 46 | 48.2 Ų | 48.2 | 47% | 0.474 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | 69.2 | -153.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | F115 H441 R442 | F115-G439 WeakPolarHBondContact O-CA 3.45Å; G439-H441 PolarHBondContact O-N 3.47Å; G439-R442 VanDerWaalsContact O-CB 3.29Å; G439-R442 WeakPolarHBondContact O-CB 3.17Å; G439-R442 PolarHBondContact O-N 2.83Å; G439-R442 VanDerWaalsContact O-N 3.09Å |
| 440 | R | 93.7 | Very high | 95.3 | Very high | 110 Ų | 110 | 45 Ų | 45 | 42% | 0.415 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -60.1 | -30 | -174 | -65.8 | 174.8 | 176.8 | 78.3 | 8.9 | 113.6 | N116 S117 K153 | N116-R440 PolarHBondContact O-NH1 2.92Å; S117-R440 PolarHBondContact O-NH1 3.09Å; K153-R440 PolarHBondContact NZ-O 3.2Å |
| 441 | H | 96.4 | Very high | 96.3 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 15% | 0.153 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -99.8 | 10.4 | -178.4 | -72.8 | -78.8 | 0 | 0 | 0 | 113.4 | N119 A124 E125 N146 R379 G439 | N119-H441 PolarHBondContact OD1-NE2 3.23Å; A124-H441 VanDerWaalsContact CB-CE1 3.45Å; A124-H441 WeakPolarHBondContact CB-CE1 3.37Å; E125-H441 IonicContact OE1-CE1 3.48Å; N146-H441 PolarHBondContact ND2-CE1 3.49Å; N146-H441 PolarHBondContact ND2-NE2 3.31Å; R379-H441 PolarHBondContact NH2-CD2 2.86Å; R379-H441 VanDerWaalsContact NH2-CG 3.31Å; G439-H441 PolarHBondContact O-N 3.47Å |
| 442 | R | 96.7 | Very high | 96.7 | Very high | 124 Ų | 124 | 37.3 Ų | 37.3 | 47% | 0.468 | 20% | 0.2 | S | C | . | . | trans | -52.2 | 144.9 | 174.2 | -176.6 | 179.1 | 173.1 | 178.4 | 1.6 | 111.3 | K153 G439 E446 | K153-R442 PolarHBondContact NZ-O 2.8Å; G439-R442 VanDerWaalsContact O-CB 3.29Å; G439-R442 WeakPolarHBondContact O-CB 3.17Å; G439-R442 PolarHBondContact O-N 2.83Å; G439-R442 VanDerWaalsContact O-N 3.09Å; R442-E446 IonicContact CZ-OE2 3.67Å; R442-E446 IonicContact NE-OE2 3.9Å; R442-E446 PolarHBondContact NE-OE2 3.2Å; R442-E446 IonicContact NH2-OE1 3.98Å; R442-E446 IonicContact NH2-OE2 2.63Å; R442-E446 PolarHBondContact NH2-OE2 2.73Å | ||
| 443 | C | 97.8 | Very high | 97 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | trans | -58.7 | 140.9 | 174.9 | -167.1 | 0 | 0 | 0 | 0 | 111.6 | F436 G445 | F436-C443 HydrophobicContact CB-CB 3.88Å; F436-C443 HydrophobicContact CD1-CB 3.92Å; F436-C443 HydrophobicContact CG-CB 4.38Å; F436-C443 WeakPolarHBondContact O-CB 3.38Å; F436-C443 PolarHBondContact O-N 3.43Å; C443-G445 PolarHBondContact SG-N 3.18Å | ||
| 444 | I | 96.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -97.1 | -16.2 | 172.5 | 60.5 | 171.7 | 0 | 0 | 0 | 112.5 | K153 L156 L160 | K153-I444 HydrophobicContact CB-CG2 4.4Å; L156-I444 HydrophobicContact CB-CD1 3.51Å; L156-I444 HydrophobicContact CD1-CD1 4.14Å; L156-I444 HydrophobicContact CG-CD1 4.49Å; L160-I444 HydrophobicContact CD1-CD1 4.4Å; L160-I444 HydrophobicContact CD1-CG1 4.28Å |
| 445 | G | 96.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 19% | 0.186 | 19% | 0.19 | C | C | . | . | trans | -91.8 | 8.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | C443 N447 F448 A449 | C443-G445 PolarHBondContact SG-N 3.18Å; G445-N447 PolarHBondContact O-N 3.17Å; G445-F448 PolarHBondContact O-N 3.41Å; G445-A449 WeakPolarHBondContact O-CB 3.45Å; G445-A449 PolarHBondContact O-N 3.12Å | ||
| 446 | E | 97.7 | Very high | 97.4 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.4 | -54.4 | -177.7 | 177.6 | 171.3 | -177.3 | 0 | 0 | 111.8 | F436 R442 F448 A449 Y450 | F436-E446 HydrophobicContact CD1-CB 3.93Å; F436-E446 HydrophobicContact CD1-CG 4.21Å; F436-E446 HydrophobicContact CD2-CB 4.27Å; F436-E446 HydrophobicContact CD2-CG 3.65Å; F436-E446 HydrophobicContact CE1-CB 4.18Å; F436-E446 HydrophobicContact CE1-CG 4.31Å; F436-E446 HydrophobicContact CE2-CG 3.8Å; F436-E446 HydrophobicContact CG-CB 3.98Å; F436-E446 HydrophobicContact CG-CG 3.89Å; F436-E446 HydrophobicContact CZ-CB 4.48Å; F436-E446 HydrophobicContact CZ-CG 4.12Å; R442-E446 IonicContact CZ-OE2 3.67Å; R442-E446 IonicContact NE-OE2 3.9Å; R442-E446 PolarHBondContact NE-OE2 3.2Å; R442-E446 IonicContact NH2-OE1 3.98Å; R442-E446 IonicContact NH2-OE2 2.63Å; R442-E446 PolarHBondContact NH2-OE2 2.73Å; E446-F448 VanDerWaalsContact C-N 3.31Å; E446-F448 PolarHBondContact O-N 2.82Å; E446-A449 PolarHBondContact O-N 3.36Å; E446-A449 VanDerWaalsContact O-N 3.15Å; E446-Y450 HydrophobicContact CG-CD2 4.22Å; E446-Y450 HydrophobicContact CG-CE2 4.14Å; E446-Y450 WeakPolarHBondContact O-CD2 3.42Å; E446-Y450 PolarHBondContact O-N 2.74Å |
| 447 | N | 97.3 | Very high | 97.5 | Very high | 102 Ų | 102 | 32.7 Ų | 32.7 | 55% | 0.545 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 179.3 | -65.8 | -14.5 | 0 | 0 | 0 | 112.3 | F165 G445 Y450 V451 | F165-N447 HydrophobicContact CE2-CB 3.66Å; F165-N447 HydrophobicContact CZ-CB 3.82Å; G445-N447 PolarHBondContact O-N 3.17Å; N447-Y450 PolarHBondContact O-N 2.69Å; N447-V451 WeakPolarHBondContact O-CG2 3.45Å; N447-V451 PolarHBondContact O-N 3.03Å |
| 448 | F | 97.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 176.8 | 175.6 | -98.4 | 0 | 0 | 0 | 111.7 | L160 F165 H168 C206 L207 G445 E446 Y450 V451 Q452 | L160-F448 HydrophobicContact CD2-CB 4.18Å; L160-F448 HydrophobicContact CD2-CG 4.48Å; F165-F448 HydrophobicContact CE1-CB 3.9Å; F165-F448 HydrophobicContact CE1-CD2 4.16Å; F165-F448 HydrophobicContact CZ-CB 4.35Å; H168-F448 AromaticContact ND1-CD2 3.78Å; H168-F448 AromaticContact ND1-CE2 3.75Å; C206-F448 HydrophobicContact CB-CE2 3.68Å; C206-F448 HydrophobicContact CB-CZ 4.09Å; L207-F448 HydrophobicContact CD1-CD1 4.22Å; L207-F448 HydrophobicContact CD1-CE1 3.69Å; L207-F448 HydrophobicContact CD1-CE2 4.43Å; L207-F448 HydrophobicContact CD1-CZ 3.81Å; L207-F448 HydrophobicContact CD2-CD2 3.96Å; L207-F448 HydrophobicContact CD2-CE1 4.38Å; L207-F448 HydrophobicContact CD2-CE2 3.77Å; L207-F448 HydrophobicContact CD2-CG 4.34Å; L207-F448 HydrophobicContact CD2-CZ 3.99Å; L207-F448 HydrophobicContact CG-CE1 4.22Å; L207-F448 HydrophobicContact CG-CE2 4.07Å; L207-F448 HydrophobicContact CG-CZ 3.82Å; G445-F448 PolarHBondContact O-N 3.41Å; E446-F448 VanDerWaalsContact C-N 3.31Å; E446-F448 PolarHBondContact O-N 2.82Å; F448-Y450 PolarHBondContact O-N 3.4Å; F448-V451 PolarHBondContact O-N 3.05Å; F448-Q452 HydrophobicContact CE1-CB 4.28Å; F448-Q452 HydrophobicContact CZ-CB 4.33Å; F448-Q452 WeakPolarHBondContact O-CB 3.46Å; F448-Q452 PolarHBondContact O-N 3.09Å |
| 449 | A | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F436 G445 E446 Q452 I453 | F436-A449 HydrophobicContact CE1-CB 4.26Å; F436-A449 HydrophobicContact CZ-CB 4.39Å; G445-A449 WeakPolarHBondContact O-CB 3.45Å; G445-A449 PolarHBondContact O-N 3.12Å; E446-A449 PolarHBondContact O-N 3.36Å; E446-A449 VanDerWaalsContact O-N 3.15Å; A449-Q452 PolarHBondContact O-N 3.23Å; A449-I453 WeakPolarHBondContact O-CB 3.25Å; A449-I453 WeakPolarHBondContact O-CG1 3.4Å; A449-I453 PolarHBondContact O-N 3.38Å |
| 450 | Y | 98.6 | Very high | 97.9 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 13% | 0.129 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 173.7 | -85 | -91.8 | 0 | 0 | 0 | 111.9 | E361 L364 F436 E446 N447 F448 Q452 K454 | E361-Y450 HydrophobicContact CG-CD1 4.28Å; E361-Y450 HydrophobicContact CG-CE1 3.96Å; L364-Y450 HydrophobicContact CB-CE1 4.4Å; L364-Y450 HydrophobicContact CD2-CD1 3.51Å; L364-Y450 HydrophobicContact CD2-CE1 3.75Å; L364-Y450 HydrophobicContact CD2-CG 4.1Å; L364-Y450 HydrophobicContact CG-CD1 4.25Å; L364-Y450 HydrophobicContact CG-CE1 3.95Å; F436-Y450 HydrophobicContact CE2-CD2 4.49Å; F436-Y450 AromaticContact CE2-CE2 3.7Å; F436-Y450 HydrophobicContact CE2-CE2 3.7Å; F436-Y450 HydrophobicContact CZ-CD2 4.47Å; F436-Y450 HydrophobicContact CZ-CE2 4.06Å; E446-Y450 HydrophobicContact CG-CD2 4.22Å; E446-Y450 HydrophobicContact CG-CE2 4.14Å; E446-Y450 WeakPolarHBondContact O-CD2 3.42Å; E446-Y450 PolarHBondContact O-N 2.74Å; N447-Y450 PolarHBondContact O-N 2.69Å; F448-Y450 PolarHBondContact O-N 3.4Å; Y450-Q452 PolarHBondContact O-N 3.37Å; Y450-K454 HydrophobicContact CD1-CD 4.28Å; Y450-K454 WeakPolarHBondContact O-CB 3.27Å; Y450-K454 WeakPolarHBondContact O-CG 3.05Å; Y450-K454 PolarHBondContact O-N 3.19Å |
| 451 | V | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 176 | 170.1 | 0 | 0 | 0 | 0 | 111 | F165 H168 V169 I172 F351 N447 F448 T455 | F165-V451 HydrophobicContact CB-CG2 4.17Å; F165-V451 HydrophobicContact CD1-CG2 4.4Å; F165-V451 HydrophobicContact CD2-CG2 4.46Å; F165-V451 HydrophobicContact CG-CG2 4.11Å; H168-V451 HydrophobicContact CB-CG1 4.36Å; V169-V451 HydrophobicContact CG2-CG1 3.96Å; I172-V451 HydrophobicContact CD1-CG1 4.16Å; F351-V451 HydrophobicContact CD2-CG2 4.09Å; F351-V451 HydrophobicContact CE2-CG2 3.65Å; N447-V451 WeakPolarHBondContact O-CG2 3.45Å; N447-V451 PolarHBondContact O-N 3.03Å; F448-V451 PolarHBondContact O-N 3.05Å; V451-T455 VanDerWaalsContact O-CB 3.26Å; V451-T455 WeakPolarHBondContact O-CB 3.46Å; V451-T455 PolarHBondContact O-N 3.12Å; V451-T455 PolarHBondContact O-OG1 2.83Å |
| 452 | Q | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -54.4 | -178.3 | -173.2 | 178.5 | 49.2 | 0 | 0 | 111.5 | I172 T202 S313 F448 A449 Y450 T455 I456 | I172-Q452 HydrophobicContact CD1-CB 4.24Å; I172-Q452 HydrophobicContact CD1-CG 4.41Å; T202-Q452 PolarHBondContact OG1-NE2 2.81Å; S313-Q452 VanDerWaalsContact CB-OE1 3.26Å; S313-Q452 PolarHBondContact OG-OE1 3.32Å; F448-Q452 HydrophobicContact CE1-CB 4.28Å; F448-Q452 HydrophobicContact CZ-CB 4.33Å; F448-Q452 WeakPolarHBondContact O-CB 3.46Å; F448-Q452 PolarHBondContact O-N 3.09Å; A449-Q452 PolarHBondContact O-N 3.23Å; Y450-Q452 PolarHBondContact O-N 3.37Å; Q452-T455 PolarHBondContact O-N 2.87Å; Q452-I456 HydrophobicContact CG-CD1 3.92Å; Q452-I456 VanDerWaalsContact O-CG1 3.26Å; Q452-I456 WeakPolarHBondContact O-CG1 3.29Å; Q452-I456 PolarHBondContact O-N 2.95Å |
| 453 | I | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.5 | -41.3 | -174.6 | -59.6 | 169.2 | 0 | 0 | 0 | 110.8 | T316 L320 L364 A449 I456 W457 | T316-I453 HydrophobicContact CG2-CD1 3.94Å; L320-I453 HydrophobicContact CD2-CG2 4.24Å; L364-I453 HydrophobicContact CD1-CB 4.37Å; L364-I453 HydrophobicContact CD1-CD1 3.99Å; L364-I453 HydrophobicContact CD1-CG2 3.73Å; L364-I453 HydrophobicContact CD2-CB 3.92Å; L364-I453 HydrophobicContact CD2-CD1 4.43Å; L364-I453 HydrophobicContact CD2-CG2 3.9Å; L364-I453 HydrophobicContact CG-CG2 4.43Å; A449-I453 WeakPolarHBondContact O-CB 3.25Å; A449-I453 WeakPolarHBondContact O-CG1 3.4Å; A449-I453 PolarHBondContact O-N 3.38Å; I453-I456 PolarHBondContact O-N 3.35Å; I453-W457 WeakPolarHBondContact O-CB 3.44Å; I453-W457 PolarHBondContact O-N 3.09Å |
| 454 | K | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 2% | 0.022 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.9 | -67.7 | -180 | 82 | 170.3 | 0 | 111.3 | L354 L357 L360 E361 L364 Y450 W457 S458 | L354-K454 HydrophobicContact CD2-CB 4.28Å; L354-K454 VanDerWaalsContact O-CE 3.25Å; L354-K454 WeakPolarHBondContact O-CE 3.17Å; L354-K454 PolarHBondContact O-NZ 3.35Å; L357-K454 WeakPolarHBondContact O-CE 3.34Å; L357-K454 PolarHBondContact O-NZ 3.23Å; L357-K454 VanDerWaalsContact O-NZ 3.07Å; L360-K454 HydrophobicContact CD2-CB 4.28Å; L360-K454 HydrophobicContact CD2-CG 4.45Å; E361-K454 IonicContact OE2-NZ 3.42Å; E361-K454 PolarHBondContact OE2-NZ 2.96Å; L364-K454 HydrophobicContact CD2-CG 4.17Å; Y450-K454 HydrophobicContact CD1-CD 4.28Å; Y450-K454 WeakPolarHBondContact O-CB 3.27Å; Y450-K454 WeakPolarHBondContact O-CG 3.05Å; Y450-K454 PolarHBondContact O-N 3.19Å; K454-W457 PolarHBondContact O-N 3.16Å; K454-S458 WeakPolarHBondContact O-CB 3.4Å; K454-S458 PolarHBondContact O-N 3.48Å; K454-S458 PolarHBondContact O-OG 3.21Å |
| 455 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -50.2 | 176.6 | -52.6 | 0 | 0 | 0 | 0 | 111 | V169 I172 E173 L349 L354 V451 Q452 W457 S458 T459 | V169-T455 HydrophobicContact CG1-CG2 4.14Å; I172-T455 HydrophobicContact CB-CG2 3.81Å; I172-T455 HydrophobicContact CG2-CG2 3.63Å; E173-T455 HydrophobicContact CB-CG2 4.03Å; L349-T455 HydrophobicContact CD1-CG2 3.99Å; L354-T455 WeakPolarHBondContact CD1-OG1 3.28Å; V451-T455 VanDerWaalsContact O-CB 3.26Å; V451-T455 WeakPolarHBondContact O-CB 3.46Å; V451-T455 PolarHBondContact O-N 3.12Å; V451-T455 PolarHBondContact O-OG1 2.83Å; Q452-T455 PolarHBondContact O-N 2.87Å; T455-W457 PolarHBondContact O-N 3.41Å; T455-S458 PolarHBondContact O-N 2.71Å; T455-T459 PolarHBondContact O-N 2.96Å; T455-T459 PolarHBondContact O-OG1 2.92Å |
| 456 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.5 | -51.1 | 178.7 | -68.9 | 169.4 | 0 | 0 | 0 | 110.6 | I172 T176 L195 L198 I199 Q452 I453 T459 L460 | I172-I456 HydrophobicContact CG2-CD1 4.36Å; I172-I456 HydrophobicContact CG2-CG1 3.6Å; T176-I456 HydrophobicContact CG2-CG2 4.43Å; L195-I456 HydrophobicContact CD2-CG2 3.88Å; L198-I456 HydrophobicContact CD2-CD1 4.26Å; L198-I456 HydrophobicContact CD2-CG1 4.21Å; L198-I456 HydrophobicContact CD2-CG2 4.06Å; I199-I456 HydrophobicContact CD1-CD1 4.16Å; I199-I456 HydrophobicContact CG1-CD1 3.62Å; Q452-I456 HydrophobicContact CG-CD1 3.92Å; Q452-I456 VanDerWaalsContact O-CG1 3.26Å; Q452-I456 WeakPolarHBondContact O-CG1 3.29Å; Q452-I456 PolarHBondContact O-N 2.95Å; I453-I456 PolarHBondContact O-N 3.35Å; I456-T459 PolarHBondContact O-N 2.92Å; I456-L460 HydrophobicContact CG2-CD1 3.86Å; I456-L460 HydrophobicContact CG2-CG 4.3Å; I456-L460 WeakPolarHBondContact O-CB 3.36Å; I456-L460 VanDerWaalsContact O-CG 3.3Å; I456-L460 WeakPolarHBondContact O-CG 3.44Å; I456-L460 PolarHBondContact O-N 2.86Å |
| 457 | W | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.8 | -32.5 | -176.6 | -85.7 | 97.3 | 0 | 0 | 0 | 114 | L191 L195 S317 L320 G321 L324 L360 I453 K454 T455 L460 L461 F466 | L191-W457 HydrophobicContact CD2-CH2 4.17Å; L191-W457 HydrophobicContact CD2-CZ2 4.24Å; L195-W457 HydrophobicContact CD1-CZ2 4.34Å; S317-W457 VanDerWaalsContact O-CE2 3.27Å; S317-W457 WeakPolarHBondContact O-CZ2 3.43Å; S317-W457 PolarHBondContact O-NE1 2.88Å; L320-W457 HydrophobicContact CD2-CB 4.23Å; L320-W457 VanDerWaalsContact CD2-CD1 3.49Å; L320-W457 HydrophobicContact CD2-CD2 4.08Å; L320-W457 HydrophobicContact CD2-CG 3.63Å; L320-W457 HydrophobicContact CG-CD2 4.17Å; L320-W457 HydrophobicContact CG-CG 4.25Å; G321-W457 VanDerWaalsContact N-CZ2 3.3Å; L324-W457 HydrophobicContact CD1-CE3 4.03Å; L324-W457 HydrophobicContact CD1-CZ3 4.32Å; L360-W457 HydrophobicContact CD1-CB 4.18Å; I453-W457 WeakPolarHBondContact O-CB 3.44Å; I453-W457 PolarHBondContact O-N 3.09Å; K454-W457 PolarHBondContact O-N 3.16Å; T455-W457 PolarHBondContact O-N 3.41Å; W457-L460 HydrophobicContact CD2-CD1 4.41Å; W457-L460 HydrophobicContact CE3-CB 4.22Å; W457-L460 HydrophobicContact CE3-CD1 4.39Å; W457-L460 HydrophobicContact CH2-CD1 4.29Å; W457-L460 HydrophobicContact CZ2-CD1 4.35Å; W457-L460 HydrophobicContact CZ3-CB 4.39Å; W457-L460 HydrophobicContact CZ3-CD1 4.35Å; W457-L460 PolarHBondContact O-N 2.79Å; W457-L461 HydrophobicContact CE3-CG 4.44Å; W457-L461 VanDerWaalsContact O-CB 3.32Å; W457-L461 WeakPolarHBondContact O-CB 3.46Å; W457-L461 WeakPolarHBondContact O-CG 3.26Å; W457-L461 PolarHBondContact O-N 3.45Å; W457-F466 HydrophobicContact CH2-CE2 4.44Å; W457-F466 HydrophobicContact CZ3-CD2 4.05Å; W457-F466 AromaticContact CZ3-CE2 3.89Å; W457-F466 HydrophobicContact CZ3-CE2 3.89Å; W457-F466 HydrophobicContact CZ3-CZ 4.47Å |
| 458 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 169.1 | -72.2 | 0 | 0 | 0 | 0 | 110.5 | Q338 L357 L360 K454 T455 L461 R462 | Q338-S458 PolarHBondContact NE2-OG 3.38Å; Q338-S458 VanDerWaalsContact OE1-CB 3.31Å; Q338-S458 PolarHBondContact OE1-OG 3.45Å; L357-S458 VanDerWaalsContact CD1-OG 3.26Å; L357-S458 WeakPolarHBondContact CD1-OG 3.42Å; L360-S458 VanDerWaalsContact CD2-OG 3.29Å; L360-S458 WeakPolarHBondContact CD2-OG 3.49Å; K454-S458 WeakPolarHBondContact O-CB 3.4Å; K454-S458 PolarHBondContact O-N 3.48Å; K454-S458 PolarHBondContact O-OG 3.21Å; T455-S458 PolarHBondContact O-N 2.71Å; S458-L461 PolarHBondContact O-N 3.17Å; S458-R462 VanDerWaalsContact O-CG 3.24Å; S458-R462 WeakPolarHBondContact O-CG 3.16Å; S458-R462 PolarHBondContact O-N 2.99Å; S458-R462 VanDerWaalsContact O-N 3.17Å |
| 459 | T | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 12.4 Ų | 12.4 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | T176 V177 T455 I456 L461 R462 L463 | T176-T459 HydrophobicContact CG2-CG2 3.7Å; V177-T459 HydrophobicContact CG2-CG2 3.65Å; T455-T459 PolarHBondContact O-N 2.96Å; T455-T459 PolarHBondContact O-OG1 2.92Å; I456-T459 PolarHBondContact O-N 2.92Å; T459-L461 PolarHBondContact O-N 3.17Å; T459-R462 WeakPolarHBondContact O-CB 3.47Å; T459-R462 PolarHBondContact O-N 2.87Å; T459-L463 HydrophobicContact CG2-CD1 3.97Å; T459-L463 HydrophobicContact CG2-CG 4.42Å; T459-L463 WeakPolarHBondContact O-CG 3.49Å; T459-L463 PolarHBondContact O-N 2.65Å |
| 460 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | -180 | -73 | -178.7 | 0 | 0 | 0 | 113.3 | T176 F180 L195 I456 W457 R462 L463 Y464 F466 | T176-L460 HydrophobicContact CG2-CD2 4.32Å; T176-L460 HydrophobicContact CG2-CG 4.37Å; F180-L460 HydrophobicContact CD1-CD2 3.9Å; F180-L460 HydrophobicContact CD2-CD2 3.6Å; F180-L460 HydrophobicContact CE1-CD2 3.85Å; F180-L460 HydrophobicContact CE2-CD1 4.3Å; F180-L460 HydrophobicContact CE2-CD2 3.57Å; F180-L460 HydrophobicContact CE2-CG 4.37Å; F180-L460 HydrophobicContact CG-CD2 3.78Å; F180-L460 HydrophobicContact CZ-CD1 4.19Å; F180-L460 HydrophobicContact CZ-CD2 3.7Å; L195-L460 HydrophobicContact CD2-CD1 4.17Å; I456-L460 HydrophobicContact CG2-CD1 3.86Å; I456-L460 HydrophobicContact CG2-CG 4.3Å; I456-L460 WeakPolarHBondContact O-CB 3.36Å; I456-L460 VanDerWaalsContact O-CG 3.3Å; I456-L460 WeakPolarHBondContact O-CG 3.44Å; I456-L460 PolarHBondContact O-N 2.86Å; W457-L460 HydrophobicContact CD2-CD1 4.41Å; W457-L460 HydrophobicContact CE3-CB 4.22Å; W457-L460 HydrophobicContact CE3-CD1 4.39Å; W457-L460 HydrophobicContact CH2-CD1 4.29Å; W457-L460 HydrophobicContact CZ2-CD1 4.35Å; W457-L460 HydrophobicContact CZ3-CB 4.39Å; W457-L460 HydrophobicContact CZ3-CD1 4.35Å; W457-L460 PolarHBondContact O-N 2.79Å; L460-R462 VanDerWaalsContact C-N 3.27Å; L460-R462 PolarHBondContact O-N 2.92Å; L460-L463 PolarHBondContact O-N 2.9Å; L460-Y464 HydrophobicContact CD2-CD2 4.39Å; L460-Y464 PolarHBondContact O-N 3.05Å; L460-F466 HydrophobicContact CB-CE2 4.03Å; L460-F466 HydrophobicContact CB-CZ 4.12Å; L460-F466 HydrophobicContact CD1-CZ 4.47Å; L460-F466 HydrophobicContact CD2-CZ 4.32Å |
| 461 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.3 | -29.2 | 176.1 | -73.7 | 169.4 | 0 | 0 | 0 | 112.6 | L324 Q331 C334 Y335 L360 W457 S458 T459 R495 | L324-L461 HydrophobicContact CD1-CD2 4.34Å; Q331-L461 HydrophobicContact CG-CD2 3.67Å; C334-L461 HydrophobicContact CB-CD1 3.75Å; Y335-L461 VanDerWaalsContact CD2-O 3.3Å; Y335-L461 WeakPolarHBondContact CD2-O 3.42Å; L360-L461 HydrophobicContact CD1-CD1 4.25Å; W457-L461 HydrophobicContact CE3-CG 4.44Å; W457-L461 VanDerWaalsContact O-CB 3.32Å; W457-L461 WeakPolarHBondContact O-CB 3.46Å; W457-L461 WeakPolarHBondContact O-CG 3.26Å; W457-L461 PolarHBondContact O-N 3.45Å; S458-L461 PolarHBondContact O-N 3.17Å; T459-L461 PolarHBondContact O-N 3.17Å; L461-R495 WeakPolarHBondContact O-CD 3.5Å; L461-R495 PolarHBondContact O-NE 2.79Å |
| 462 | R | 98.2 | Very high | 98.5 | Very high | 25 Ų | 25 | 23.5 Ų | 23.5 | 9% | 0.094 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.4 | -36.8 | 172.3 | -66.4 | 171.4 | -175.6 | -154.8 | -2.4 | 112 | C342 L346 P347 S458 T459 L460 | C342-R462 PolarHBondContact SG-NH2 3Å; L346-R462 HydrophobicContact CD1-CG 4.17Å; L346-R462 HydrophobicContact CD2-CG 4.39Å; L346-R462 PolarHBondContact O-NH1 3.34Å; P347-R462 PolarHBondContact O-NH1 3.16Å; S458-R462 VanDerWaalsContact O-CG 3.24Å; S458-R462 WeakPolarHBondContact O-CG 3.16Å; S458-R462 PolarHBondContact O-N 2.99Å; S458-R462 VanDerWaalsContact O-N 3.17Å; T459-R462 WeakPolarHBondContact O-CB 3.47Å; T459-R462 PolarHBondContact O-N 2.87Å; L460-R462 VanDerWaalsContact C-N 3.27Å; L460-R462 PolarHBondContact O-N 2.92Å |
| 463 | L | 98.1 | Very high | 98.4 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 19% | 0.188 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -79.2 | -42.9 | -177.8 | -70.4 | 174.9 | 0 | 0 | 0 | 113 | F180 T459 L460 R494 R495 | F180-L463 HydrophobicContact CB-CD1 4.23Å; T459-L463 HydrophobicContact CG2-CD1 3.97Å; T459-L463 HydrophobicContact CG2-CG 4.42Å; T459-L463 WeakPolarHBondContact O-CG 3.49Å; T459-L463 PolarHBondContact O-N 2.65Å; L460-L463 PolarHBondContact O-N 2.9Å; L463-R494 WeakPolarHBondContact O-CA 3.46Å; L463-R495 PolarHBondContact O-N 2.74Å |
| 464 | Y | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.9 | -165.8 | -59.1 | -66.9 | 0 | 0 | 0 | 113.2 | F180 G184 L460 F466 Y492 K493 R494 | F180-Y464 HydrophobicContact CB-CE2 4.1Å; F180-Y464 HydrophobicContact CD1-CE2 4.03Å; F180-Y464 HydrophobicContact CG-CE2 4.39Å; F180-Y464 PolarHBondContact O-OH 3.11Å; G184-Y464 PolarHBondContact O-OH 2.85Å; L460-Y464 HydrophobicContact CD2-CD2 4.39Å; L460-Y464 PolarHBondContact O-N 3.05Å; Y464-F466 HydrophobicContact CD2-CZ 4.15Å; Y464-F466 HydrophobicContact CG-CZ 4.37Å; Y464-Y492 AromaticContact CD1-CD2 3.64Å; Y464-Y492 HydrophobicContact CD1-CD2 3.64Å; Y464-Y492 HydrophobicContact CD1-CE2 4.44Å; Y464-Y492 AromaticContact CE1-CD2 3.69Å; Y464-Y492 HydrophobicContact CE1-CD2 3.69Å; Y464-Y492 HydrophobicContact CE1-CE2 4.04Å; Y464-Y492 HydrophobicContact CG-CD2 4.21Å; Y464-K493 CarbonylContact C-O 3.55Å; Y464-K493 VanDerWaalsContact CA-O 3.28Å; Y464-K493 WeakPolarHBondContact CA-O 3.36Å; Y464-R494 HydrophobicContact CD1-CB 4.47Å |
| 465 | E | 98.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 29 Ų | 29 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.3 | 159.1 | -169 | -164.4 | 138.3 | 0 | 0 | 108.4 | K328 Y492 K493 | K328-E465 IonicContact NZ-OE1 3.22Å; K328-E465 PolarHBondContact NZ-OE1 3.45Å; E465-Y492 WeakPolarHBondContact O-CA 3.2Å; E465-K493 HydrophobicContact CB-CG 4.14Å; E465-K493 VanDerWaalsContact CD-NZ 3.28Å; E465-K493 PolarHBondContact N-O 3.07Å; E465-K493 PolarHBondContact O-N 3.02Å; E465-K493 WeakPolarHBondContact OE1-CE 3.44Å; E465-K493 IonicContact OE1-NZ 2.71Å; E465-K493 PolarHBondContact OE1-NZ 3.45Å; E465-K493 WeakPolarHBondContact OE2-CE 3.49Å; E465-K493 IonicContact OE2-NZ 2.89Å; E465-K493 PolarHBondContact OE2-NZ 3.09Å; E465-K493 VanDerWaalsContact OE2-NZ 3.1Å |
| 466 | F | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 141.1 | -174.9 | -64.2 | -85.3 | 0 | 0 | 0 | 112.4 | W183 A325 K328 Q331 W457 L460 Y464 I490 R491 | W183-F466 HydrophobicContact CZ3-CE1 4.16Å; A325-F466 HydrophobicContact CB-CB 4.11Å; K328-F466 WeakPolarHBondContact CE-O 3.43Å; K328-F466 PolarHBondContact NZ-O 3.13Å; Q331-F466 PolarHBondContact NE2-O 3.32Å; W457-F466 HydrophobicContact CH2-CE2 4.44Å; W457-F466 HydrophobicContact CZ3-CD2 4.05Å; W457-F466 AromaticContact CZ3-CE2 3.89Å; W457-F466 HydrophobicContact CZ3-CE2 3.89Å; W457-F466 HydrophobicContact CZ3-CZ 4.47Å; L460-F466 HydrophobicContact CB-CE2 4.03Å; L460-F466 HydrophobicContact CB-CZ 4.12Å; L460-F466 HydrophobicContact CD1-CZ 4.47Å; L460-F466 HydrophobicContact CD2-CZ 4.32Å; Y464-F466 HydrophobicContact CD2-CZ 4.15Å; Y464-F466 HydrophobicContact CG-CZ 4.37Å; F466-I490 HydrophobicContact CB-CD1 3.87Å; F466-I490 HydrophobicContact CB-CG1 4.34Å; F466-I490 HydrophobicContact CD1-CD1 3.85Å; F466-I490 HydrophobicContact CD1-CG1 4.24Å; F466-I490 HydrophobicContact CD1-CG2 4.06Å; F466-I490 HydrophobicContact CE1-CG2 4.44Å; F466-I490 HydrophobicContact CG-CD1 4.17Å; F466-R491 CarbonylContact C-O 3.51Å; F466-R491 WeakPolarHBondContact CA-O 3.35Å |
| 467 | E | 98.6 | Very high | 97.9 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.2 | -178.7 | -72.9 | 173.9 | -160 | 0 | 0 | 111 | K328 I490 R491 K493 | K328-E467 IonicContact NZ-OE1 2.68Å; E467-I490 WeakPolarHBondContact O-CG1 3.17Å; E467-R491 HydrophobicContact CB-CB 4.01Å; E467-R491 HydrophobicContact CB-CG 4.37Å; E467-R491 PolarHBondContact N-O 3.31Å; E467-R491 PolarHBondContact O-N 2.88Å; E467-R491 IonicContact OE2-NH1 3.92Å; E467-K493 IonicContact OE1-NZ 2.96Å; E467-K493 PolarHBondContact OE1-NZ 2.83Å |
| 468 | L | 98.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 139.9 | 165.7 | -58.4 | -175.5 | 0 | 0 | 0 | 109.7 | F322 A325 Q326 D470 F473 | F322-L468 HydrophobicContact CD1-CD2 3.79Å; A325-L468 HydrophobicContact CB-CD2 3.87Å; A325-L468 HydrophobicContact CB-CG 4.33Å; Q326-L468 HydrophobicContact CB-CD1 3.96Å; Q326-L468 HydrophobicContact CB-CG 4.49Å; Q326-L468 HydrophobicContact CG-CD1 4.11Å; L468-D470 PolarHBondContact O-N 2.89Å; L468-F473 HydrophobicContact CD1-CB 4.39Å |
| 469 | V | 98.4 | Very high | 96.5 | Very high | 22 Ų | 22 | 40 Ų | 40 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -77.2 | 118.1 | 171 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | E188 G471 Y472 I489 R491 | E188-V469 HydrophobicContact CG-CG2 4.06Å; V469-G471 PolarHBondContact O-N 2.95Å; V469-Y472 VanDerWaalsContact O-CB 3.26Å; V469-Y472 WeakPolarHBondContact O-CB 3.25Å; V469-Y472 PolarHBondContact O-N 2.97Å; V469-I489 HydrophobicContact CG2-CG2 4.12Å; V469-R491 HydrophobicContact CG2-CB 4.05Å |
| 470 | D | 96.8 | Very high | 95.4 | Very high | 147 Ų | 147 | 42.6 Ų | 42.6 | 79% | 0.786 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | 51.9 | 31 | 179.1 | -52.3 | -28.1 | 0 | 0 | 0 | 114.4 | L468 Y472 R491 | L468-D470 PolarHBondContact O-N 2.89Å; D470-Y472 PolarHBondContact O-N 2.75Å; D470-R491 IonicContact OD1-NH2 2.83Å |
| 471 | G | 96.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 62% | 0.619 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | 70.7 | 9.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V469 F473 | V469-G471 PolarHBondContact O-N 2.95Å; G471-F473 PolarHBondContact O-N 3.36Å |
| 472 | Y | 98.2 | Very high | 93.8 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 30% | 0.302 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 117.5 | 179.2 | 178.2 | -106.5 | 0 | 0 | 0 | 111.6 | V469 D470 P474 H486 N487 | V469-Y472 VanDerWaalsContact O-CB 3.26Å; V469-Y472 WeakPolarHBondContact O-CB 3.25Å; V469-Y472 PolarHBondContact O-N 2.97Å; D470-Y472 PolarHBondContact O-N 2.75Å; Y472-P474 HydrophobicContact CE1-CB 4.42Å; Y472-P474 HydrophobicContact CE1-CG 4.24Å; Y472-H486 PolarHBondContact OH-O 3.47Å; Y472-N487 HydrophobicContact CE1-CB 3.93Å; Y472-N487 WeakPolarHBondContact CE1-O 3.34Å |
| 473 | F | 98.4 | Very high | 93.6 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 18% | 0.184 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 125.7 | 167.3 | -170.8 | -85.6 | 0 | 0 | 0 | 109.7 | W319 F322 F323 Q326 L468 G471 T475 | W319-F473 HydrophobicContact CE3-CE1 4.31Å; W319-F473 HydrophobicContact CE3-CZ 4.25Å; W319-F473 AromaticContact CZ3-CE1 3.76Å; W319-F473 HydrophobicContact CZ3-CE1 3.76Å; W319-F473 HydrophobicContact CZ3-CZ 4.15Å; F322-F473 HydrophobicContact CB-CD2 4.35Å; F322-F473 HydrophobicContact CB-CE2 3.89Å; F322-F473 HydrophobicContact CB-CZ 4.34Å; F323-F473 AromaticContact CD1-CE2 3.81Å; F323-F473 HydrophobicContact CD1-CE2 3.81Å; F323-F473 AromaticContact CD1-CZ 3.71Å; F323-F473 HydrophobicContact CD1-CZ 3.71Å; F323-F473 HydrophobicContact CE1-CE1 4.45Å; F323-F473 HydrophobicContact CE1-CE2 4.07Å; F323-F473 AromaticContact CE1-CZ 3.5Å; F323-F473 HydrophobicContact CE1-CZ 3.5Å; F323-F473 HydrophobicContact CG-CE2 4.44Å; F323-F473 HydrophobicContact CG-CZ 4.39Å; F323-F473 HydrophobicContact CZ-CZ 4.03Å; Q326-F473 HydrophobicContact CB-CD2 4.25Å; Q326-F473 HydrophobicContact CG-CD2 4.46Å; L468-F473 HydrophobicContact CD1-CB 4.39Å; G471-F473 PolarHBondContact O-N 3.36Å; F473-T475 PolarHBondContact O-N 2.91Å |
| 474 | P | 98.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -55 | 131.5 | -177.4 | -31.8 | 38.8 | 0 | 0 | 0 | 114.4 | W319 F322 Y472 P485 H486 | W319-P474 HydrophobicContact CH2-CB 4.14Å; W319-P474 WeakPolarHBondContact CH2-O 3.34Å; W319-P474 HydrophobicContact CZ3-CB 3.98Å; W319-P474 WeakPolarHBondContact CZ3-O 3.37Å; F322-P474 HydrophobicContact CD1-CG 3.51Å; F322-P474 HydrophobicContact CD2-CG 3.72Å; F322-P474 HydrophobicContact CE1-CG 3.53Å; F322-P474 HydrophobicContact CE2-CG 3.77Å; F322-P474 HydrophobicContact CG-CG 3.63Å; F322-P474 HydrophobicContact CZ-CG 3.69Å; Y472-P474 HydrophobicContact CE1-CB 4.42Å; Y472-P474 HydrophobicContact CE1-CG 4.24Å; P474-P485 HydrophobicContact CB-CB 3.62Å; P474-P485 HydrophobicContact CG-CB 4.26Å; P474-H486 WeakPolarHBondContact CB-O 3.33Å |
| 475 | T | 97.3 | Very high | 93.3 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 161.7 | 167.5 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | F473 H486 | F473-T475 PolarHBondContact O-N 2.91Å; T475-H486 WeakPolarHBondContact O-CB 3.43Å; T475-H486 PolarHBondContact O-N 3Å |
| 476 | I | 96.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 18% | 0.179 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 131 | -179.3 | -57.7 | 165.8 | 0 | 0 | 0 | 110.2 | W319 Y478 H483 | W319-I476 HydrophobicContact CH2-CG1 3.99Å; W319-I476 HydrophobicContact CZ2-CG1 3.97Å; I476-Y478 HydrophobicContact CB-CE1 4.11Å; I476-Y478 HydrophobicContact CB-CE2 4.21Å; I476-Y478 HydrophobicContact CD1-CE1 4.49Å; I476-Y478 WeakPolarHBondContact CD1-OH 3.24Å; I476-Y478 HydrophobicContact CG2-CD1 3.8Å; I476-Y478 HydrophobicContact CG2-CE1 3.43Å; I476-Y478 VanDerWaalsContact CG2-CE1 3.43Å; I476-Y478 HydrophobicContact CG2-CE2 4.31Å; I476-Y478 HydrophobicContact CG2-CG 4.38Å; I476-H483 HydrophobicContact CG2-CB 3.67Å |
| 477 | N | 92.5 | Very high | 93.1 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 110.4 | 168.1 | -176.9 | 3.8 | 0 | 0 | 0 | 110.3 | T479 T484 | N477-T479 WeakPolarHBondContact OD1-CB 3.45Å; N477-T479 PolarHBondContact OD1-N 3.23Å; N477-T479 PolarHBondContact OD1-OG1 2.67Å; N477-T484 WeakPolarHBondContact CB-O 3.31Å; N477-T484 PolarHBondContact N-O 3.44Å |
| 478 | Y | 89.3 | Confident | 93.1 | Very high | 49 Ų | 49 | 52 Ų | 52 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | trans | -88.8 | 0.5 | 178.6 | -64.2 | -59.8 | 0 | 0 | 0 | 114.1 | K76 P78 I79 I476 T480 H483 | K76-Y478 WeakPolarHBondContact O-CD2 3.49Å; P78-Y478 HydrophobicContact CG-CD1 3.64Å; P78-Y478 HydrophobicContact CG-CE1 3.94Å; P78-Y478 HydrophobicContact CG-CG 4.12Å; I79-Y478 HydrophobicContact CG1-CE1 4.24Å; I476-Y478 HydrophobicContact CB-CE1 4.11Å; I476-Y478 HydrophobicContact CB-CE2 4.21Å; I476-Y478 HydrophobicContact CD1-CE1 4.49Å; I476-Y478 WeakPolarHBondContact CD1-OH 3.24Å; I476-Y478 HydrophobicContact CG2-CD1 3.8Å; I476-Y478 HydrophobicContact CG2-CE1 3.43Å; I476-Y478 VanDerWaalsContact CG2-CE1 3.43Å; I476-Y478 HydrophobicContact CG2-CE2 4.31Å; I476-Y478 HydrophobicContact CG2-CG 4.38Å; Y478-T480 VanDerWaalsContact C-N 3.31Å; Y478-T480 PolarHBondContact O-N 2.85Å; Y478-H483 AromaticContact CD1-CD2 3.74Å; Y478-H483 AromaticContact CD1-CE1 3.48Å; Y478-H483 VanDerWaalsContact CD1-CE1 3.48Å; Y478-H483 WeakPolarHBondContact CD1-CE1 2.95Å; Y478-H483 AromaticContact CD1-CG 3.92Å; Y478-H483 AromaticContact CD1-ND1 3.77Å; Y478-H483 AromaticContact CD1-NE2 3.47Å; Y478-H483 WeakPolarHBondContact CD1-NE2 3.36Å; Y478-H483 AromaticContact CE1-CE1 3.6Å; Y478-H483 AromaticContact CE1-ND1 3.66Å | ||
| 479 | T | 79.2 | Confident | 93.1 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -72.1 | -26.7 | -175.7 | -48.2 | 0 | 0 | 0 | 0 | 112.8 | H233 N477 | H233-T479 PolarHBondContact CE1-O 3.44Å; H233-T479 PolarHBondContact ND1-O 2.71Å; N477-T479 WeakPolarHBondContact OD1-CB 3.45Å; N477-T479 PolarHBondContact OD1-N 3.23Å; N477-T479 PolarHBondContact OD1-OG1 2.67Å |
| 480 | T | 75.8 | Confident | 93.1 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -99.6 | 153.5 | -179.3 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | Y478 I482 | Y478-T480 VanDerWaalsContact C-N 3.31Å; Y478-T480 PolarHBondContact O-N 2.85Å; T480-I482 WeakPolarHBondContact CB-O 3.49Å; T480-I482 PolarHBondContact O-N 2.83Å; T480-I482 PolarHBondContact OG1-O 3.09Å |
| 481 | M | 76.3 | Confident | 93.2 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 37% | 0.365 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -66 | -23.8 | 179 | -68.9 | -164.8 | -56.6 | 0 | 0 | 113.3 | L131 F231 | L131-M481 HydrophobicContact CD1-SD 4.38Å; F231-M481 VanDerWaalsContact C-CE 3.4Å; F231-M481 VanDerWaalsContact CA-CE 3.47Å; F231-M481 HydrophobicContact CB-CE 3.26Å; F231-M481 HydrophobicContact CD1-CE 3.9Å; F231-M481 HydrophobicContact CG-CE 3.92Å; F231-M481 VanDerWaalsContact O-CE 3.23Å; F231-M481 WeakPolarHBondContact O-CE 3.42Å |
| 482 | I | 88.1 | Confident | 93.2 | Very high | 36 Ų | 36 | 46 Ų | 46 | 19% | 0.185 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -107.8 | 123.9 | 168.8 | -61.8 | 174.4 | 0 | 0 | 0 | 106.7 | H311 T315 P373 T480 T484 | H311-I482 HydrophobicContact CB-CD1 3.27Å; T315-I482 HydrophobicContact CG2-CG2 3.75Å; P373-I482 HydrophobicContact CB-CG2 3.92Å; T480-I482 WeakPolarHBondContact CB-O 3.49Å; T480-I482 PolarHBondContact O-N 2.83Å; T480-I482 PolarHBondContact OG1-O 3.09Å; I482-T484 PolarHBondContact O-N 3.28Å |
| 483 | H | 92.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | trans | -74.2 | 113.3 | -174.1 | -65 | 164.8 | 0 | 0 | 0 | 111.9 | M375 I476 Y478 | M375-H483 VanDerWaalsContact CB-CE1 3.4Å; M375-H483 WeakPolarHBondContact CB-CE1 3.05Å; M375-H483 VanDerWaalsContact CE-CE1 3.43Å; M375-H483 WeakPolarHBondContact CE-CE1 3.49Å; M375-H483 WeakPolarHBondContact CE-NE2 3.45Å; M375-H483 WeakPolarHBondContact CG-CE1 3.45Å; I476-H483 HydrophobicContact CG2-CB 3.67Å; Y478-H483 AromaticContact CD1-CD2 3.74Å; Y478-H483 AromaticContact CD1-CE1 3.48Å; Y478-H483 VanDerWaalsContact CD1-CE1 3.48Å; Y478-H483 WeakPolarHBondContact CD1-CE1 2.95Å; Y478-H483 AromaticContact CD1-CG 3.92Å; Y478-H483 AromaticContact CD1-ND1 3.77Å; Y478-H483 AromaticContact CD1-NE2 3.47Å; Y478-H483 WeakPolarHBondContact CD1-NE2 3.36Å; Y478-H483 AromaticContact CE1-CE1 3.6Å; Y478-H483 AromaticContact CE1-ND1 3.66Å | ||
| 484 | T | 94.8 | Very high | 93.2 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 157.8 | -178.3 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | F192 T315 N477 I482 | F192-T484 HydrophobicContact CE1-CG2 3.78Å; F192-T484 HydrophobicContact CE2-CG2 4.29Å; F192-T484 HydrophobicContact CZ-CG2 3.54Å; T315-T484 HydrophobicContact CG2-CG2 3.87Å; N477-T484 WeakPolarHBondContact CB-O 3.31Å; N477-T484 PolarHBondContact N-O 3.44Å; I482-T484 PolarHBondContact O-N 3.28Å |
| 485 | P | 97.1 | Very high | 93 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 134 | 169.2 | 28.9 | -34.3 | 0 | 0 | 0 | 111.2 | F192 A318 W319 P474 P488 | F192-P485 HydrophobicContact CB-CG 4.09Å; F192-P485 HydrophobicContact CG-CG 4.26Å; A318-P485 HydrophobicContact CB-CG 4.14Å; W319-P485 HydrophobicContact CD2-CB 4.36Å; W319-P485 HydrophobicContact CE3-CB 4.37Å; W319-P485 HydrophobicContact CH2-CB 3.74Å; W319-P485 VanDerWaalsContact CZ2-CA 3.48Å; W319-P485 HydrophobicContact CZ2-CB 3.73Å; W319-P485 HydrophobicContact CZ3-CB 4.07Å; P474-P485 HydrophobicContact CB-CB 3.62Å; P474-P485 HydrophobicContact CG-CB 4.26Å; P485-P488 HydrophobicContact CB-CB 3.99Å; P485-P488 HydrophobicContact CG-CB 3.75Å; P485-P488 HydrophobicContact CG-CG 4.3Å |
| 486 | H | 95.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 56.3 Ų | 56.3 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -82.7 | 138.8 | 173.9 | -174.7 | -83.7 | 0 | 0 | 0 | 110.9 | Y472 P474 T475 | Y472-H486 PolarHBondContact OH-O 3.47Å; P474-H486 WeakPolarHBondContact CB-O 3.33Å; T475-H486 WeakPolarHBondContact O-CB 3.43Å; T475-H486 PolarHBondContact O-N 3Å |
| 487 | N | 96.6 | Very high | 90.5 | Very high | 85 Ų | 85 | 64.7 Ų | 64.7 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 44.2 | 58.4 | -174 | -171.5 | 40.9 | 0 | 0 | 0 | 113.8 | Y472 I489 | Y472-N487 HydrophobicContact CE1-CB 3.93Å; Y472-N487 WeakPolarHBondContact CE1-O 3.34Å; N487-I489 PolarHBondContact O-N 2.76Å |
| 488 | P | 97.7 | Very high | 90.4 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 7% | 0.071 | 31% | 0.311 | C | S | . | . | trans | -80 | 52.1 | -172.3 | 33.8 | -34.9 | 0 | 0 | 0 | 113.1 | N190 L191 F192 F322 P485 | N190-P488 CarbonylContact C-O 3.54Å; N190-P488 WeakPolarHBondContact CA-O 3.44Å; N190-P488 WeakPolarHBondContact OD1-CG 3.29Å; L191-P488 PolarHBondContact N-O 2.85Å; F192-P488 HydrophobicContact CB-CB 3.84Å; F192-P488 HydrophobicContact CB-CG 3.59Å; F322-P488 HydrophobicContact CE2-CB 3.7Å; F322-P488 VanDerWaalsContact CZ-C 3.47Å; F322-P488 VanDerWaalsContact CZ-CA 3.49Å; F322-P488 HydrophobicContact CZ-CB 3.82Å; P485-P488 HydrophobicContact CB-CB 3.99Å; P485-P488 HydrophobicContact CG-CB 3.75Å; P485-P488 HydrophobicContact CG-CG 4.3Å | ||
| 489 | I | 98.6 | Very high | 90.4 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.5 | 171.1 | -52.3 | -56.5 | 0 | 0 | 0 | 109.1 | E188 R189 N190 V469 N487 | E188-I489 HydrophobicContact CB-CG2 3.93Å; R189-I489 WeakPolarHBondContact O-CA 3.21Å; N190-I489 HydrophobicContact CB-CD1 3.83Å; V469-I489 HydrophobicContact CG2-CG2 4.12Å; N487-I489 PolarHBondContact O-N 2.76Å |
| 490 | I | 98.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 144.8 | 176.1 | -154.4 | 165.5 | 0 | 0 | 0 | 110 | W183 E188 R189 L191 F322 A325 F466 E467 | W183-I490 HydrophobicContact CH2-CG2 4.22Å; W183-I490 HydrophobicContact CZ3-CG2 4.31Å; E188-I490 WeakPolarHBondContact CA-O 3.45Å; R189-I490 PolarHBondContact N-O 3.21Å; R189-I490 VanDerWaalsContact N-O 3.11Å; R189-I490 PolarHBondContact O-N 3.38Å; L191-I490 HydrophobicContact CB-CB 4.18Å; L191-I490 HydrophobicContact CB-CG2 3.73Å; L191-I490 HydrophobicContact CD1-CG2 4.32Å; L191-I490 HydrophobicContact CD2-CB 4.48Å; L191-I490 HydrophobicContact CD2-CD1 3.66Å; L191-I490 HydrophobicContact CD2-CG2 4.23Å; L191-I490 HydrophobicContact CG-CG2 4.29Å; F322-I490 HydrophobicContact CD1-CD1 4.41Å; F322-I490 HydrophobicContact CE1-CB 4.11Å; F322-I490 HydrophobicContact CE1-CD1 4.3Å; F322-I490 HydrophobicContact CE1-CG1 4.18Å; F322-I490 HydrophobicContact CZ-CB 4.22Å; A325-I490 HydrophobicContact CB-CD1 3.92Å; A325-I490 HydrophobicContact CB-CG1 4.36Å; F466-I490 HydrophobicContact CB-CD1 3.87Å; F466-I490 HydrophobicContact CB-CG1 4.34Å; F466-I490 HydrophobicContact CD1-CD1 3.85Å; F466-I490 HydrophobicContact CD1-CG1 4.24Å; F466-I490 HydrophobicContact CD1-CG2 4.06Å; F466-I490 HydrophobicContact CE1-CG2 4.44Å; F466-I490 HydrophobicContact CG-CD1 4.17Å; E467-I490 WeakPolarHBondContact O-CG1 3.17Å |
| 491 | R | 98.8 | Very high | 92 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 139.1 | 170.1 | -177 | -179.9 | -59.9 | 141.3 | 1.1 | 109.4 | G187 E188 F466 E467 V469 D470 | G187-R491 WeakPolarHBondContact O-CA 3.46Å; E188-R491 HydrophobicContact CG-CB 4.04Å; E188-R491 HydrophobicContact CG-CG 4.18Å; E188-R491 IonicContact OE1-CZ 3.8Å; E188-R491 VanDerWaalsContact OE1-CZ 3.27Å; E188-R491 IonicContact OE1-NE 3.62Å; E188-R491 PolarHBondContact OE1-NE 3.29Å; E188-R491 IonicContact OE1-NH2 3.27Å; E188-R491 PolarHBondContact OE1-NH2 3.43Å; F466-R491 CarbonylContact C-O 3.51Å; F466-R491 WeakPolarHBondContact CA-O 3.35Å; E467-R491 HydrophobicContact CB-CB 4.01Å; E467-R491 HydrophobicContact CB-CG 4.37Å; E467-R491 PolarHBondContact N-O 3.31Å; E467-R491 PolarHBondContact O-N 2.88Å; E467-R491 IonicContact OE2-NH1 3.92Å; V469-R491 HydrophobicContact CG2-CB 4.05Å; D470-R491 IonicContact OD1-NH2 2.83Å |
| 492 | Y | 98.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 64.2 Ų | 64.2 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.1 | 176.8 | 66 | -80.7 | 0 | 0 | 0 | 111 | W183 S186 G187 R189 Y464 E465 | W183-Y492 HydrophobicContact CB-CE2 3.73Å; W183-Y492 HydrophobicContact CD2-CD1 4.43Å; W183-Y492 AromaticContact CD2-CE1 4Å; W183-Y492 HydrophobicContact CD2-CE1 4Å; W183-Y492 HydrophobicContact CD2-CE2 4.36Å; W183-Y492 AromaticContact CD2-CZ 3.96Å; W183-Y492 AromaticContact CE3-CD1 3.37Å; W183-Y492 HydrophobicContact CE3-CD1 3.37Å; W183-Y492 AromaticContact CE3-CD2 3.81Å; W183-Y492 HydrophobicContact CE3-CD2 3.81Å; W183-Y492 AromaticContact CE3-CE1 3.34Å; W183-Y492 HydrophobicContact CE3-CE1 3.34Å; W183-Y492 AromaticContact CE3-CE2 3.79Å; W183-Y492 HydrophobicContact CE3-CE2 3.79Å; W183-Y492 AromaticContact CE3-CG 3.61Å; W183-Y492 HydrophobicContact CE3-CG 3.61Å; W183-Y492 AromaticContact CE3-CZ 3.56Å; W183-Y492 HydrophobicContact CG-CE2 4.41Å; W183-Y492 HydrophobicContact CH2-CD1 4.46Å; W183-Y492 AromaticContact CZ3-CD1 3.39Å; W183-Y492 HydrophobicContact CZ3-CD1 3.39Å; W183-Y492 HydrophobicContact CZ3-CD2 4.46Å; W183-Y492 AromaticContact CZ3-CE1 3.71Å; W183-Y492 HydrophobicContact CZ3-CE1 3.71Å; W183-Y492 AromaticContact CZ3-CG 3.81Å; W183-Y492 HydrophobicContact CZ3-CG 3.81Å; W183-Y492 VanDerWaalsContact O-CE2 3.26Å; W183-Y492 WeakPolarHBondContact O-CE2 3.33Å; W183-Y492 VanDerWaalsContact O-CZ 3.31Å; W183-Y492 PolarHBondContact O-OH 3.45Å; S186-Y492 CarbonylContact C-O 3.59Å; S186-Y492 WeakPolarHBondContact CA-O 3.34Å; S186-Y492 WeakPolarHBondContact CB-O 3.47Å; G187-Y492 PolarHBondContact N-O 3.15Å; G187-Y492 WeakPolarHBondContact O-CD1 3.48Å; G187-Y492 WeakPolarHBondContact O-CE1 3.17Å; G187-Y492 PolarHBondContact O-N 3.4Å; R189-Y492 HydrophobicContact CB-CE1 4.19Å; R189-Y492 HydrophobicContact CG-CE1 3.73Å; Y464-Y492 AromaticContact CD1-CD2 3.64Å; Y464-Y492 HydrophobicContact CD1-CD2 3.64Å; Y464-Y492 HydrophobicContact CD1-CE2 4.44Å; Y464-Y492 AromaticContact CE1-CD2 3.69Å; Y464-Y492 HydrophobicContact CE1-CD2 3.69Å; Y464-Y492 HydrophobicContact CE1-CE2 4.04Å; Y464-Y492 HydrophobicContact CG-CD2 4.21Å; E465-Y492 WeakPolarHBondContact O-CA 3.2Å |
| 493 | K | 98.3 | Very high | 93.2 | Very high | 80 Ų | 80 | 66.1 Ų | 66.1 | 35% | 0.348 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 144.4 | 170.1 | 67.4 | -167.2 | -178 | -150.4 | 0 | 109.6 | D185 Y464 E465 E467 R495 | D185-K493 CarbonylContact O-C 3.43Å; D185-K493 WeakPolarHBondContact O-CA 3.44Å; Y464-K493 CarbonylContact C-O 3.55Å; Y464-K493 VanDerWaalsContact CA-O 3.28Å; Y464-K493 WeakPolarHBondContact CA-O 3.36Å; E465-K493 HydrophobicContact CB-CG 4.14Å; E465-K493 VanDerWaalsContact CD-NZ 3.28Å; E465-K493 PolarHBondContact N-O 3.07Å; E465-K493 PolarHBondContact O-N 3.02Å; E465-K493 WeakPolarHBondContact OE1-CE 3.44Å; E465-K493 IonicContact OE1-NZ 2.71Å; E465-K493 PolarHBondContact OE1-NZ 3.45Å; E465-K493 WeakPolarHBondContact OE2-CE 3.49Å; E465-K493 IonicContact OE2-NZ 2.89Å; E465-K493 PolarHBondContact OE2-NZ 3.09Å; E465-K493 VanDerWaalsContact OE2-NZ 3.1Å; E467-K493 IonicContact OE1-NZ 2.96Å; E467-K493 PolarHBondContact OE1-NZ 2.83Å; K493-R495 PolarHBondContact O-N 3.39Å |
| 494 | R | 97.4 | Very high | 93.3 | Very high | 113 Ų | 113 | 69.6 Ų | 69.6 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 130.5 | -179.7 | -174.3 | 174 | -67.3 | -93.1 | -10.3 | 109.3 | G184 D185 L463 Y464 | G184-R494 PolarHBondContact O-NH2 2.9Å; D185-R494 HydrophobicContact CB-CB 4.49Å; D185-R494 PolarHBondContact O-N 2.75Å; D185-R494 IonicContact OD1-CZ 3.44Å; D185-R494 IonicContact OD1-NE 2.77Å; D185-R494 PolarHBondContact OD1-NE 2.72Å; D185-R494 IonicContact OD1-NH2 3.13Å; D185-R494 PolarHBondContact OD1-NH2 3.47Å; L463-R494 WeakPolarHBondContact O-CA 3.46Å; Y464-R494 HydrophobicContact CD1-CB 4.47Å |
| 495 | R | 94 | Very high | 93.2 | Very high | 32 Ų | 32 | 73.5 Ų | 73.5 | 12% | 0.121 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 133.5 | 177.8 | -164.1 | 171.6 | -88 | -92.9 | 2.5 | 108.6 | D332 Y335 L461 L463 K493 Q497 | D332-R495 IonicContact OD1-CZ 3.57Å; D332-R495 IonicContact OD1-NH1 2.71Å; D332-R495 PolarHBondContact OD1-NH1 3.3Å; D332-R495 IonicContact OD1-NH2 2.86Å; D332-R495 PolarHBondContact OD1-NH2 3.33Å; Y335-R495 VanDerWaalsContact CD2-CD 3.43Å; Y335-R495 HydrophobicContact CE2-CG 4.46Å; Y335-R495 VanDerWaalsContact CZ-CD 3.42Å; L461-R495 WeakPolarHBondContact O-CD 3.5Å; L461-R495 PolarHBondContact O-NE 2.79Å; L463-R495 PolarHBondContact O-N 2.74Å; K493-R495 PolarHBondContact O-N 3.39Å; R495-Q497 PolarHBondContact O-N 3Å |
| 496 | K | 80.3 | Confident | 92.9 | Very high | 194 Ų | 194 | 79.3 Ų | 79.3 | 84% | 0.843 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 123.4 | 173.1 | -66.8 | -177.7 | 179.5 | -179.5 | 0 | 107.6 | ||
| 497 | Q | 60 | Low | 92.6 | Very high | 211 Ų | 211 | 77.3 Ų | 77.3 | 99% | 0.986 | 34% | 0.344 | S | S | * | . | trans | -70.4 | 0 | 177.9 | -72.1 | -175 | -19.6 | 0 | 0 | 111.4 | R495 | R495-Q497 PolarHBondContact O-N 3Š|
Retrieved 497 of 497 residues in 699.2 ms
(Link to these results)