| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.5 | Very low | 30.2 | Very low | 241 Ų | 241 | 149 Ų | 149 | 100% | 1.187 | 84% | 0.843 | S | S | * | * | 0 | 97.8 | 0 | -73.8 | -83.5 | -90.5 | 0 | 0 | 107 | G3 | M1-G3 PolarHBondContact O-N 3.23Š| |||
| 2 | G | 31.2 | Very low | 30.3 | Very low | 86 Ų | 86 | 153.9 Ų | 153.9 | 89% | 0.887 | 85% | 0.848 | S | S | * | * | trans | -70.8 | 109 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | G | 26.1 | Very low | 30.4 | Very low | 63 Ų | 63 | 149.9 Ų | 149.9 | 65% | 0.649 | 83% | 0.831 | S | S | * | * | trans | -68.3 | 146 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | M1 E5 | M1-G3 PolarHBondContact O-N 3.23Å; G3-E5 PolarHBondContact O-N 2.74Å | ||
| 4 | P | 31.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -61.4 | 130.9 | -171.9 | 26 | -33.2 | 0 | 0 | 0 | 110.3 | L6 | P4-L6 PolarHBondContact O-N 3.3Š| ||
| 5 | E | 28.3 | Very low | 31.6 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -54 | 110.1 | 166.7 | -69.9 | -178.7 | 160.6 | 0 | 0 | 107.6 | G3 P7 | G3-E5 PolarHBondContact O-N 2.74Å; E5-P7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | L | 27.7 | Very low | 32.3 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -53.1 | 123.4 | 169.6 | -86.7 | 150.1 | 0 | 0 | 0 | 106.8 | P4 N8 | P4-L6 PolarHBondContact O-N 3.3Å; L6-N8 PolarHBondContact O-N 3.21Å | ||
| 7 | P | 28.7 | Very low | 33.1 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | trans | -56.1 | 134.6 | -175.9 | 23.3 | -32.2 | 0 | 0 | 0 | 107.7 | E5 D9 | E5-P7 VanDerWaalsContact O-N 3.15Å; P7-D9 WeakPolarHBondContact O-CA 3.41Å; P7-D9 PolarHBondContact O-N 3.12Å | ||
| 8 | N | 31.9 | Very low | 33.6 | Very low | 164 Ų | 164 | 123.3 Ų | 123.3 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | trans | -37.9 | 91.8 | 175.6 | -83.4 | -47 | 0 | 0 | 0 | 109.8 | L6 V10 | L6-N8 PolarHBondContact O-N 3.21Å; N8-V10 PolarHBondContact O-N 3.32Å | ||
| 9 | D | 31.5 | Very low | 34.2 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -65.5 | 112.3 | -173.8 | -154.2 | -1.4 | 0 | 0 | 0 | 103.8 | P7 R11 | P7-D9 WeakPolarHBondContact O-CA 3.41Å; P7-D9 PolarHBondContact O-N 3.12Å; D9-R11 PolarHBondContact O-N 3.15Å | ||
| 10 | V | 30.1 | Very low | 34.7 | Very low | 125 Ų | 125 | 123 Ų | 123 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | trans | -45.7 | 108.6 | -176.2 | 170.6 | 0 | 0 | 0 | 0 | 104.4 | N8 K12 | N8-V10 PolarHBondContact O-N 3.32Å; V10-K12 VanDerWaalsContact C-N 3.28Å; V10-K12 PolarHBondContact O-N 3Å | ||
| 11 | R | 32 | Very low | 35.5 | Very low | 218 Ų | 218 | 120.6 Ų | 120.6 | 82% | 0.823 | 68% | 0.683 | S | S | * | * | trans | -44.9 | 102 | -176.1 | -69.4 | 177.1 | 179.5 | 179.1 | 0 | 106.1 | D9 T13 | D9-R11 PolarHBondContact O-N 3.15Å; R11-T13 HydrophobicContact CB-CG2 4.02Å; R11-T13 PolarHBondContact O-N 2.99Å | ||
| 12 | K | 31.3 | Very low | 37.2 | Very low | 208 Ų | 208 | 113.1 Ų | 113.1 | 90% | 0.904 | 65% | 0.654 | S | S | * | * | trans | -63.1 | 83.7 | 154.5 | -82.9 | -175.1 | 177.8 | 177.1 | 0 | 102 | V10 D14 | V10-K12 VanDerWaalsContact C-N 3.28Å; V10-K12 PolarHBondContact O-N 3Å; K12-D14 VanDerWaalsContact C-N 3.32Å; K12-D14 PolarHBondContact O-N 3.09Å | ||
| 13 | T | 32.3 | Very low | 39.6 | Very low | 102 Ų | 102 | 112 Ų | 112 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | trans | -57.3 | 110.5 | 171.8 | 37.5 | 0 | 0 | 0 | 0 | 102.3 | R11 P15 | R11-T13 HydrophobicContact CB-CG2 4.02Å; R11-T13 PolarHBondContact O-N 2.99Å; T13-P15 VanDerWaalsContact O-CD 3.27Å; T13-P15 WeakPolarHBondContact O-CD 3.32Å | ||
| 14 | D | 39.6 | Very low | 42.4 | Very low | 59 Ų | 59 | 113.3 Ų | 113.3 | 32% | 0.316 | 62% | 0.617 | S | S | . | * | trans | -45.3 | 116 | 169 | 176.5 | -13.7 | 0 | 0 | 0 | 105.5 | K12 S16 V17 Y93 | K12-D14 VanDerWaalsContact C-N 3.32Å; K12-D14 PolarHBondContact O-N 3.09Å; D14-S16 PolarHBondContact O-N 3.48Å; D14-S16 VanDerWaalsContact OD1-CB 3.32Å; D14-S16 WeakPolarHBondContact OD1-CB 3.43Å; D14-S16 PolarHBondContact OD1-N 3.29Å; D14-S16 VanDerWaalsContact OD1-N 3.08Å; D14-S16 PolarHBondContact OD1-OG 3.27Å; D14-S16 PolarHBondContact OD2-OG 3.19Å; D14-S16 VanDerWaalsContact OD2-OG 3.06Å; D14-V17 HydrophobicContact CB-CG2 4.15Å; D14-V17 WeakPolarHBondContact O-CB 3.18Å; D14-V17 PolarHBondContact O-N 3.47Å; D14-Y93 WeakPolarHBondContact OD1-CE2 3.48Å | ||
| 15 | P | 39.4 | Very low | 45 | Very low | 115 Ų | 115 | 109.4 Ų | 109.4 | 75% | 0.747 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -8.9 | -172.6 | 20.9 | -30 | 0 | 0 | 0 | 112.2 | T13 V17 | T13-P15 VanDerWaalsContact O-CD 3.27Å; T13-P15 WeakPolarHBondContact O-CD 3.32Å; P15-V17 PolarHBondContact O-N 3.15Å |
| 16 | S | 42.7 | Very low | 47.7 | Very low | 15 Ų | 15 | 100.5 Ų | 100.5 | 11% | 0.105 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -67.4 | -17.5 | 167.1 | 69.5 | 0 | 0 | 0 | 0 | 114.4 | D14 G18 | D14-S16 PolarHBondContact O-N 3.48Å; D14-S16 VanDerWaalsContact OD1-CB 3.32Å; D14-S16 WeakPolarHBondContact OD1-CB 3.43Å; D14-S16 PolarHBondContact OD1-N 3.29Å; D14-S16 VanDerWaalsContact OD1-N 3.08Å; D14-S16 PolarHBondContact OD1-OG 3.27Å; D14-S16 PolarHBondContact OD2-OG 3.19Å; D14-S16 VanDerWaalsContact OD2-OG 3.06Å; S16-G18 PolarHBondContact O-N 3.4Å |
| 17 | V | 45 | Very low | 50.7 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 37% | 0.37 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -92 | 72.8 | -179 | -168.2 | 0 | 0 | 0 | 0 | 109 | D14 P15 I19 C20 | D14-V17 HydrophobicContact CB-CG2 4.15Å; D14-V17 WeakPolarHBondContact O-CB 3.18Å; D14-V17 PolarHBondContact O-N 3.47Å; P15-V17 PolarHBondContact O-N 3.15Å; V17-I19 PolarHBondContact O-N 3.16Å; V17-C20 HydrophobicContact CG1-CB 4.24Å |
| 18 | G | 43.6 | Very low | 53.7 | Low | 20 Ų | 20 | 90 Ų | 90 | 21% | 0.206 | 49% | 0.494 | C | S | . | . | trans | -49.9 | 138.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S16 C20 | S16-G18 PolarHBondContact O-N 3.4Å; G18-C20 PolarHBondContact O-N 2.97Å | ||
| 19 | I | 43.6 | Very low | 56.6 | Low | 171 Ų | 171 | 83 Ų | 83 | 88% | 0.877 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -3.4 | 87.9 | 172.7 | -51.7 | 172.3 | 0 | 0 | 0 | 112.2 | V17 T21 | V17-I19 PolarHBondContact O-N 3.16Å; I19-T21 PolarHBondContact O-N 3.03Å |
| 20 | C | 44 | Very low | 59.6 | Low | 69 Ų | 69 | 75.7 Ų | 75.7 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | trans | -69.4 | 98.5 | -174.4 | -167.1 | 0 | 0 | 0 | 0 | 108.8 | V17 G18 | V17-C20 HydrophobicContact CG1-CB 4.24Å; G18-C20 PolarHBondContact O-N 2.97Å | ||
| 21 | T | 52.4 | Low | 62.5 | Low | 74 Ų | 74 | 72.1 Ų | 72.1 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | trans | -42.6 | 144.3 | 147.1 | 50.1 | 0 | 0 | 0 | 0 | 108.1 | I19 L23 S26 | I19-T21 PolarHBondContact O-N 3.03Å; T21-L23 PolarHBondContact O-N 3.39Å; T21-S26 PolarHBondContact OG1-OG 3.33Å | ||
| 22 | S | 69.1 | Low | 65.4 | Low | 83 Ų | 83 | 69.1 Ų | 69.1 | 58% | 0.58 | 39% | 0.388 | S | S | * | . | trans | -42.3 | 132.6 | -176.6 | 74.3 | 0 | 0 | 0 | 0 | 110.9 | E24 A25 S26 | S22-E24 PolarHBondContact O-N 2.72Å; S22-A25 WeakPolarHBondContact O-CA 3.17Å; S22-A25 VanDerWaalsContact O-CB 3.23Å; S22-A25 WeakPolarHBondContact O-CB 3.41Å; S22-A25 PolarHBondContact O-N 3.25Å; S22-A25 PolarHBondContact OG-N 3.24Å; S22-S26 PolarHBondContact O-N 2.88Å | ||
| 23 | L | 80.2 | Confident | 68.2 | Low | 63 Ų | 63 | 59.8 Ų | 59.8 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -44.4 | -40.9 | -178.2 | 168.7 | 63.5 | 0 | 0 | 0 | 112 | T21 A25 S26 I27 V150 | T21-L23 PolarHBondContact O-N 3.39Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 2.82Å; L23-S26 WeakPolarHBondContact O-CB 3.48Å; L23-S26 PolarHBondContact O-N 2.79Å; L23-I27 HydrophobicContact CD1-CG1 4.13Å; L23-I27 HydrophobicContact CG-CG1 4.43Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 2.98Å; L23-V150 HydrophobicContact CD1-CB 3.79Å; L23-V150 HydrophobicContact CD1-CG1 3.72Å; L23-V150 HydrophobicContact CD1-CG2 3.81Å; L23-V150 HydrophobicContact CD2-CG1 3.65Å; L23-V150 HydrophobicContact CG-CG1 4.3Å |
| 24 | E | 85 | Confident | 71.1 | Confident | 90 Ų | 90 | 56.8 Ų | 56.8 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 177.6 | -166.9 | 60.5 | -158 | 0 | 0 | 112.9 | S22 T28 R56 | S22-E24 PolarHBondContact O-N 2.72Å; E24-T28 VanDerWaalsContact O-CB 3.22Å; E24-T28 WeakPolarHBondContact O-CB 3.45Å; E24-T28 PolarHBondContact O-N 3.45Å; E24-T28 PolarHBondContact O-OG1 3.15Å; E24-R56 IonicContact OE1-CZ 3.91Å; E24-R56 VanDerWaalsContact OE1-CZ 3.26Å; E24-R56 IonicContact OE1-NH1 3.44Å; E24-R56 PolarHBondContact OE1-NH1 2.85Å; E24-R56 IonicContact OE1-NH2 2.99Å; E24-R56 PolarHBondContact OE1-NH2 2.87Å; E24-R56 IonicContact OE2-CZ 3.37Å; E24-R56 IonicContact OE2-NH2 3.2Å; E24-R56 PolarHBondContact OE2-NH2 3.43Å; E24-R56 VanDerWaalsContact OE2-NH2 3.13Å |
| 25 | A | 85.8 | Confident | 73.6 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S22 L23 T28 A29 | S22-A25 WeakPolarHBondContact O-CA 3.17Å; S22-A25 VanDerWaalsContact O-CB 3.23Å; S22-A25 WeakPolarHBondContact O-CB 3.41Å; S22-A25 PolarHBondContact O-N 3.25Å; S22-A25 PolarHBondContact OG-N 3.24Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 2.82Å; A25-T28 PolarHBondContact O-N 2.86Å; A25-A29 WeakPolarHBondContact O-CB 3.22Å; A25-A29 PolarHBondContact O-N 3.02Å |
| 26 | S | 86.9 | Confident | 75.9 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | T21 S22 L23 T28 A29 M30 | T21-S26 PolarHBondContact OG1-OG 3.33Å; S22-S26 PolarHBondContact O-N 2.88Å; L23-S26 WeakPolarHBondContact O-CB 3.48Å; L23-S26 PolarHBondContact O-N 2.79Å; S26-T28 PolarHBondContact O-N 3.18Å; S26-A29 PolarHBondContact O-N 3.33Å; S26-M30 VanDerWaalsContact O-CG 3.25Å; S26-M30 WeakPolarHBondContact O-CG 3.24Å; S26-M30 PolarHBondContact O-N 3.22Å |
| 27 | I | 90 | Very high | 78 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.8 | -64.1 | -59.4 | 0 | 0 | 0 | 110.8 | L23 A29 M30 E31 L54 L151 | L23-I27 HydrophobicContact CD1-CG1 4.13Å; L23-I27 HydrophobicContact CG-CG1 4.43Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 2.98Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 3.05Å; I27-M30 HydrophobicContact CD1-SD 4.05Å; I27-M30 WeakPolarHBondContact O-CB 3.28Å; I27-M30 PolarHBondContact O-N 2.85Å; I27-E31 WeakPolarHBondContact O-CG 3.34Å; I27-E31 PolarHBondContact O-N 3.24Å; I27-L54 HydrophobicContact CD1-CD2 4.32Å; I27-L54 HydrophobicContact CG2-CD2 4Å; I27-L151 HydrophobicContact CD1-CD1 3.86Å; I27-L151 HydrophobicContact CD1-CD2 3.87Å; I27-L151 HydrophobicContact CD1-CG 3.74Å |
| 28 | T | 92.1 | Very high | 79.9 | Confident | 49 Ų | 49 | 55.7 Ų | 55.7 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 177.1 | -60 | 0 | 0 | 0 | 0 | 111.4 | E24 A25 S26 E31 K32 | E24-T28 VanDerWaalsContact O-CB 3.22Å; E24-T28 WeakPolarHBondContact O-CB 3.45Å; E24-T28 PolarHBondContact O-N 3.45Å; E24-T28 PolarHBondContact O-OG1 3.15Å; A25-T28 PolarHBondContact O-N 2.86Å; S26-T28 PolarHBondContact O-N 3.18Å; T28-E31 PolarHBondContact O-N 3.39Å; T28-K32 WeakPolarHBondContact O-CG 3.35Å; T28-K32 PolarHBondContact O-N 3.49Å |
| 29 | A | 91.6 | Very high | 81.5 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A25 S26 I27 E31 K32 G33 H34 | A25-A29 WeakPolarHBondContact O-CB 3.22Å; A25-A29 PolarHBondContact O-N 3.02Å; S26-A29 PolarHBondContact O-N 3.33Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 3.05Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-E31 PolarHBondContact O-N 3.36Å; A29-K32 PolarHBondContact O-N 3.22Å; A29-G33 PolarHBondContact O-N 2.79Å; A29-H34 PolarHBondContact O-CE1 3.43Å |
| 30 | M | 94.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 173.2 | -65.2 | 161.3 | 68.6 | 0 | 0 | 112.1 | S26 I27 G33 R53 L54 W144 L148 L151 | S26-M30 VanDerWaalsContact O-CG 3.25Å; S26-M30 WeakPolarHBondContact O-CG 3.24Å; S26-M30 PolarHBondContact O-N 3.22Å; I27-M30 HydrophobicContact CD1-SD 4.05Å; I27-M30 WeakPolarHBondContact O-CB 3.28Å; I27-M30 PolarHBondContact O-N 2.85Å; M30-G33 WeakPolarHBondContact O-CA 3.33Å; M30-G33 PolarHBondContact O-N 3.05Å; M30-R53 WeakPolarHBondContact O-CA 3.19Å; M30-L54 HydrophobicContact CB-CB 3.78Å; M30-L54 HydrophobicContact CB-CD2 4.16Å; M30-L54 HydrophobicContact CE-CB 4.48Å; M30-L54 HydrophobicContact CE-CD2 4.1Å; M30-L54 PolarHBondContact O-N 3.43Å; M30-W144 HydrophobicContact CB-CH2 4.06Å; M30-W144 HydrophobicContact CB-CZ2 3.98Å; M30-W144 HydrophobicContact CB-CZ3 4.44Å; M30-W144 HydrophobicContact CE-CD2 4.19Å; M30-W144 HydrophobicContact CE-CE3 3.48Å; M30-W144 VanDerWaalsContact CE-CE3 3.48Å; M30-W144 HydrophobicContact CE-CH2 4.26Å; M30-W144 HydrophobicContact CE-CZ3 3.53Å; M30-W144 HydrophobicContact CG-CD2 3.92Å; M30-W144 HydrophobicContact CG-CE3 4.16Å; M30-W144 HydrophobicContact CG-CG 4.39Å; M30-W144 HydrophobicContact CG-CH2 4.34Å; M30-W144 HydrophobicContact CG-CZ2 4.13Å; M30-W144 HydrophobicContact CG-CZ3 4.37Å; M30-W144 HydrophobicContact SD-CE3 4.47Å; M30-L148 HydrophobicContact CE-CD2 3.84Å; M30-L148 HydrophobicContact CE-CG 3.96Å; M30-L151 HydrophobicContact CE-CD1 4.29Å |
| 31 | E | 92.3 | Very high | 83.5 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 23% | 0.229 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.7 | -34.7 | 174.4 | -73.8 | -174.6 | 109.1 | 0 | 0 | 112.9 | I27 T28 A29 G33 R53 L54 R56 | I27-E31 WeakPolarHBondContact O-CG 3.34Å; I27-E31 PolarHBondContact O-N 3.24Å; T28-E31 PolarHBondContact O-N 3.39Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-E31 PolarHBondContact O-N 3.36Å; E31-G33 VanDerWaalsContact C-N 3.28Å; E31-R53 WeakPolarHBondContact O-CD 3.46Å; E31-R53 WeakPolarHBondContact O-CG 3.22Å; E31-R53 PolarHBondContact O-NE 3.34Å; E31-R53 PolarHBondContact O-NH2 3.41Å; E31-L54 HydrophobicContact CG-CB 4.45Å; E31-L54 HydrophobicContact CG-CD2 4.22Å; E31-L54 HydrophobicContact CG-CG 4.45Å; E31-R56 VanDerWaalsContact CD-CD 3.42Å; E31-R56 HydrophobicContact CG-CB 4.03Å; E31-R56 WeakPolarHBondContact OE1-CB 3.25Å; E31-R56 WeakPolarHBondContact OE1-CD 3.27Å; E31-R56 WeakPolarHBondContact OE2-CD 3.3Å; E31-R56 IonicContact OE2-NH1 3.14Å; E31-R56 PolarHBondContact OE2-NH1 2.81Å; E31-R56 VanDerWaalsContact OE2-NH1 3.13Å |
| 32 | K | 91.3 | Very high | 83.9 | Confident | 156 Ų | 156 | 51.3 Ų | 51.3 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.5 | -38.3 | 168.7 | -73.4 | 176 | -178.2 | 178.3 | 0 | 110.4 | T28 A29 F51 | T28-K32 WeakPolarHBondContact O-CG 3.35Å; T28-K32 PolarHBondContact O-N 3.49Å; A29-K32 PolarHBondContact O-N 3.22Å; K32-F51 VanDerWaalsContact O-CE1 3.3Å; K32-F51 WeakPolarHBondContact O-CE1 3.38Å |
| 33 | G | 91.1 | Very high | 83.4 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | trans | 88.4 | 164.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A29 M30 E31 F51 L52 | A29-G33 PolarHBondContact O-N 2.79Å; M30-G33 WeakPolarHBondContact O-CA 3.33Å; M30-G33 PolarHBondContact O-N 3.05Å; E31-G33 VanDerWaalsContact C-N 3.28Å; G33-F51 VanDerWaalsContact CA-CE1 3.4Å; G33-F51 VanDerWaalsContact O-CZ 3.26Å; G33-F51 WeakPolarHBondContact O-CZ 3.29Å; G33-L52 CarbonylContact C-O 3.4Å; G33-L52 WeakPolarHBondContact CA-O 3.47Å | ||
| 34 | H | 93.3 | Very high | 82.2 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 19% | 0.185 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 148.4 | -175.5 | -66.3 | 92.4 | 0 | 0 | 0 | 110.5 | A29 A36 F51 L52 L135 A140 Q143 W144 | A29-H34 PolarHBondContact O-CE1 3.43Å; H34-A36 PolarHBondContact O-N 3.13Å; H34-F51 CarbonylContact O-C 3.56Å; H34-F51 WeakPolarHBondContact O-CA 3.48Å; H34-L52 PolarHBondContact N-O 2.69Å; H34-L52 PolarHBondContact O-N 3.4Å; H34-L135 HydrophobicContact CB-CD2 3.92Å; H34-A140 HydrophobicContact CB-CB 4.37Å; H34-A140 VanDerWaalsContact CD2-CB 3.43Å; H34-A140 WeakPolarHBondContact CD2-CB 3.46Å; H34-Q143 PolarHBondContact CE1-OE1 3.01Å; H34-Q143 PolarHBondContact NE2-OE1 3.25Å; H34-W144 AromaticContact CG-NE1 3.93Å; H34-W144 AromaticContact ND1-NE1 3.3Å; H34-W144 PolarHBondContact ND1-NE1 2.96Å |
| 35 | R | 90.8 | Very high | 80.8 | Confident | 130 Ų | 130 | 61.8 Ų | 61.8 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 134.9 | 169 | -71.1 | 176.7 | 174.6 | -125.8 | 1.1 | 109.2 | F51 E136 | R35-F51 HydrophobicContact CB-CD2 4.5Å; R35-F51 HydrophobicContact CG-CD2 3.84Å; R35-F51 HydrophobicContact CG-CE2 3.83Å; R35-E136 HydrophobicContact CB-CG 3.88Å; R35-E136 WeakPolarHBondContact CB-OE1 3.49Å; R35-E136 VanDerWaalsContact CD-CD 3.47Å; R35-E136 WeakPolarHBondContact CD-OE1 3.45Å; R35-E136 WeakPolarHBondContact CD-OE2 3.3Å |
| 36 | A | 89.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 147.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H34 R50 L52 V133 I134 L135 | H34-A36 PolarHBondContact O-N 3.13Å; A36-R50 PolarHBondContact N-O 3.33Å; A36-R50 CarbonylContact O-C 3.59Å; A36-R50 WeakPolarHBondContact O-CA 3.47Å; A36-R50 PolarHBondContact O-N 2.79Å; A36-L52 HydrophobicContact CB-CB 3.72Å; A36-V133 HydrophobicContact CB-CG1 3.66Å; A36-I134 CarbonylContact C-O 3.51Å; A36-I134 VanDerWaalsContact CA-O 3.25Å; A36-I134 WeakPolarHBondContact CA-O 3.37Å; A36-L135 HydrophobicContact CB-CD2 3.97Å |
| 37 | V | 86.3 | Confident | 78 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.3 | 171.1 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | M45 V133 I134 | V37-M45 HydrophobicContact CG1-CE 3.97Å; V37-V133 CarbonylContact O-C 3.53Å; V37-V133 WeakPolarHBondContact O-CA 3.22Å; V37-I134 PolarHBondContact N-O 3.18Å; V37-I134 PolarHBondContact O-N 2.91Å |
| 38 | R | 83.7 | Confident | 76.6 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123.5 | 170.6 | -177.4 | 179.6 | 176 | 175.3 | 2 | 108.7 | F63 I131 | R38-F63 HydrophobicContact CB-CD1 4.46Å; R38-F63 HydrophobicContact CB-CE1 4.13Å; R38-I131 HydrophobicContact CG-CG2 4.11Å |
| 39 | V | 77.3 | Confident | 74.9 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.2 | 173.6 | -172.9 | 0 | 0 | 0 | 0 | 109 | M109 V132 I134 | V39-M109 HydrophobicContact CB-CE 4.11Å; V39-M109 HydrophobicContact CG1-CE 3.56Å; V39-M109 HydrophobicContact CG2-CE 4.37Å; V39-V132 HydrophobicContact CB-CB 4.21Å; V39-V132 HydrophobicContact CB-CG1 4.18Å; V39-V132 HydrophobicContact CG2-CG1 4.44Å; V39-V132 PolarHBondContact N-O 3.08Å; V39-I134 HydrophobicContact CG2-CD1 3.33Å; V39-I134 HydrophobicContact CG2-CG1 3.78Å |
| 40 | M | 68.6 | Low | 74.3 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 23% | 0.232 | 34% | 0.343 | C | S | . | . | trans | -97.8 | 105.4 | 166.4 | -71.8 | -171.6 | -78.9 | 0 | 0 | 107.9 | R43 E46 | M40-R43 HydrophobicContact CB-CB 3.89Å; M40-R43 HydrophobicContact CB-CG 4.48Å; M40-R43 PolarHBondContact O-N 2.93Å; M40-E46 HydrophobicContact CE-CG 3.65Å; M40-E46 WeakPolarHBondContact CE-OE1 3.35Å | ||
| 41 | L | 62.6 | Low | 73.8 | Confident | 49 Ų | 49 | 73.4 Ų | 73.4 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 138.9 | 173.5 | -69 | 166.5 | 0 | 0 | 0 | 109.9 | R43 M109 L130 V132 | L41-R43 PolarHBondContact O-N 3.28Å; L41-M109 HydrophobicContact CD2-CE 3.71Å; L41-L130 HydrophobicContact CD1-CD2 4.33Å; L41-V132 HydrophobicContact CD1-CG2 4.23Å |
| 42 | N | 59.4 | Low | 73.8 | Confident | 137 Ų | 137 | 71 Ų | 71 | 73% | 0.733 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 12 | -178.4 | -53.5 | -23.5 | 0 | 0 | 0 | 115.6 | ||
| 43 | R | 58.7 | Low | 73.9 | Confident | 178 Ų | 178 | 69 Ų | 69 | 67% | 0.672 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -125.3 | 158 | 172.6 | -66.4 | -174.3 | 176.9 | -173.7 | -1.1 | 109.8 | M40 L41 M45 | M40-R43 HydrophobicContact CB-CB 3.89Å; M40-R43 HydrophobicContact CB-CG 4.48Å; M40-R43 PolarHBondContact O-N 2.93Å; L41-R43 PolarHBondContact O-N 3.28Å; R43-M45 PolarHBondContact O-N 2.95Å |
| 44 | K | 55.5 | Low | 74.1 | Confident | 202 Ų | 202 | 68.5 Ų | 68.5 | 88% | 0.878 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 128.2 | 169.9 | -85.7 | -173.5 | 176.3 | -180 | 0 | 108.9 | E46 | K44-E46 PolarHBondContact O-N 3.39Š|
| 45 | M | 55.8 | Low | 74 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 131.3 | 176.1 | -144.4 | -176.6 | 91.1 | 0 | 0 | 109 | V37 R43 S47 R111 F112 | V37-M45 HydrophobicContact CG1-CE 3.97Å; R43-M45 PolarHBondContact O-N 2.95Å; M45-S47 PolarHBondContact O-N 3.33Å; M45-R111 PolarHBondContact SD-NH2 3.18Å; M45-R111 VanDerWaalsContact SD-NH2 3.36Å; M45-F112 HydrophobicContact SD-CZ 3.85Å |
| 46 | E | 58.5 | Low | 74 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 119 | 169.5 | -79.9 | -178.8 | -174.2 | 0 | 0 | 108.2 | M40 K44 T48 R50 | M40-E46 HydrophobicContact CE-CG 3.65Å; M40-E46 WeakPolarHBondContact CE-OE1 3.35Å; K44-E46 PolarHBondContact O-N 3.39Å; E46-T48 VanDerWaalsContact C-N 3.28Å; E46-R50 VanDerWaalsContact CD-NH2 3.32Å; E46-R50 IonicContact OE1-NH2 4Å; E46-R50 PolarHBondContact OE1-NH2 3.34Å; E46-R50 IonicContact OE2-CZ 3.26Å; E46-R50 IonicContact OE2-NE 3.13Å; E46-R50 PolarHBondContact OE2-NE 3.42Å; E46-R50 IonicContact OE2-NH2 2.87Å; E46-R50 PolarHBondContact OE2-NH2 3.35Å |
| 47 | S | 54.9 | Low | 74 | Confident | 116 Ų | 116 | 70.5 Ų | 70.5 | 81% | 0.811 | 34% | 0.341 | S | S | * | . | trans | -78.2 | -14.2 | -179.9 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | M45 A49 | M45-S47 PolarHBondContact O-N 3.33Å; S47-A49 PolarHBondContact O-N 3.41Å | ||
| 48 | T | 61.1 | Low | 74.2 | Confident | 63 Ų | 63 | 69 Ų | 69 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -80.5 | 112.8 | -178 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | E46 R50 | E46-T48 VanDerWaalsContact C-N 3.28Å; T48-R50 PolarHBondContact O-N 2.97Å |
| 49 | A | 57.2 | Low | 74.6 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | trans | -54.6 | 125.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S47 T66 | S47-A49 PolarHBondContact O-N 3.41Å; A49-T66 HydrophobicContact CB-CG2 4.19Å; A49-T66 VanDerWaalsContact O-CG2 3.31Å; A49-T66 WeakPolarHBondContact O-CG2 3.4Å; A49-T66 PolarHBondContact O-N 3.3Å; A49-T66 PolarHBondContact O-OG1 3.07Å | ||
| 50 | R | 77.3 | Confident | 75.3 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 13% | 0.125 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 166.2 | 174.7 | -65.8 | -166.1 | -171.7 | -147.2 | 3.2 | 109.8 | A36 E46 T48 Y64 | A36-R50 PolarHBondContact N-O 3.33Å; A36-R50 CarbonylContact O-C 3.59Å; A36-R50 WeakPolarHBondContact O-CA 3.47Å; A36-R50 PolarHBondContact O-N 2.79Å; E46-R50 VanDerWaalsContact CD-NH2 3.32Å; E46-R50 IonicContact OE1-NH2 4Å; E46-R50 PolarHBondContact OE1-NH2 3.34Å; E46-R50 IonicContact OE2-CZ 3.26Å; E46-R50 IonicContact OE2-NE 3.13Å; E46-R50 PolarHBondContact OE2-NE 3.42Å; E46-R50 IonicContact OE2-NH2 2.87Å; E46-R50 PolarHBondContact OE2-NH2 3.35Å; T48-R50 PolarHBondContact O-N 2.97Å; R50-Y64 CarbonylContact C-O 3.5Å; R50-Y64 WeakPolarHBondContact CA-O 3.48Å; R50-Y64 WeakPolarHBondContact CB-O 3.45Å |
| 51 | F | 85.7 | Confident | 76.5 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 27% | 0.268 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.1 | 173.2 | -148.8 | -104.8 | 0 | 0 | 0 | 108.6 | K32 G33 H34 R35 F63 Y64 | K32-F51 VanDerWaalsContact O-CE1 3.3Å; K32-F51 WeakPolarHBondContact O-CE1 3.38Å; G33-F51 VanDerWaalsContact CA-CE1 3.4Å; G33-F51 VanDerWaalsContact O-CZ 3.26Å; G33-F51 WeakPolarHBondContact O-CZ 3.29Å; H34-F51 CarbonylContact O-C 3.56Å; H34-F51 WeakPolarHBondContact O-CA 3.48Å; R35-F51 HydrophobicContact CB-CD2 4.5Å; R35-F51 HydrophobicContact CG-CD2 3.84Å; R35-F51 HydrophobicContact CG-CE2 3.83Å; F51-F63 WeakPolarHBondContact O-CA 3.29Å; F51-Y64 PolarHBondContact N-O 3.38Å; F51-Y64 PolarHBondContact O-N 3.42Å |
| 52 | L | 92.3 | Very high | 77.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122 | 176.2 | -171.2 | 68.9 | 0 | 0 | 0 | 108.9 | G33 H34 A36 V61 L62 F63 L118 V133 L135 W144 | G33-L52 CarbonylContact C-O 3.4Å; G33-L52 WeakPolarHBondContact CA-O 3.47Å; H34-L52 PolarHBondContact N-O 2.69Å; H34-L52 PolarHBondContact O-N 3.4Å; A36-L52 HydrophobicContact CB-CB 3.72Å; L52-V61 HydrophobicContact CD1-CG1 3.32Å; L52-V61 HydrophobicContact CG-CG1 4.08Å; L52-L62 WeakPolarHBondContact CA-O 3.42Å; L52-F63 HydrophobicContact CD1-CD1 3.87Å; L52-F63 HydrophobicContact CD1-CD2 3.81Å; L52-F63 HydrophobicContact CD1-CE1 3.55Å; L52-F63 HydrophobicContact CD1-CE2 3.49Å; L52-F63 VanDerWaalsContact CD1-CE2 3.49Å; L52-F63 HydrophobicContact CD1-CG 4.02Å; L52-F63 HydrophobicContact CD1-CZ 3.35Å; L52-L118 HydrophobicContact CD2-CD2 4.35Å; L52-V133 HydrophobicContact CD2-CG1 4.32Å; L52-L135 HydrophobicContact CD2-CD2 4.36Å; L52-W144 HydrophobicContact CB-CZ2 4.1Å; L52-W144 HydrophobicContact CD2-CD2 3.62Å; L52-W144 VanDerWaalsContact CD2-CE2 3.43Å; L52-W144 HydrophobicContact CD2-CE3 3.94Å; L52-W144 HydrophobicContact CD2-CG 4.19Å; L52-W144 HydrophobicContact CD2-CH2 4.01Å; L52-W144 HydrophobicContact CD2-CZ2 3.68Å; L52-W144 HydrophobicContact CD2-CZ3 4.12Å; L52-W144 HydrophobicContact CG-CD2 4.36Å; L52-W144 HydrophobicContact CG-CE3 4.5Å; L52-W144 HydrophobicContact CG-CH2 3.68Å; L52-W144 HydrophobicContact CG-CZ2 3.48Å; L52-W144 VanDerWaalsContact CG-CZ2 3.48Å; L52-W144 HydrophobicContact CG-CZ3 4.18Å; L52-W144 WeakPolarHBondContact O-CZ2 3.48Å |
| 53 | R | 92.8 | Very high | 79.1 | Confident | 112 Ų | 112 | 58.2 Ų | 58.2 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 141.7 | -176 | -175.6 | -179.2 | -179.3 | -178 | 5 | 111.7 | M30 E31 L62 Y64 | M30-R53 WeakPolarHBondContact O-CA 3.19Å; E31-R53 WeakPolarHBondContact O-CD 3.46Å; E31-R53 WeakPolarHBondContact O-CG 3.22Å; E31-R53 PolarHBondContact O-NE 3.34Å; E31-R53 PolarHBondContact O-NH2 3.41Å; R53-L62 PolarHBondContact N-O 3.34Å; R53-L62 PolarHBondContact O-N 3.1Å; R53-Y64 HydrophobicContact CB-CD2 4.29Å; R53-Y64 HydrophobicContact CB-CE2 3.94Å |
| 54 | L | 94.5 | Very high | 79.9 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.3 | 172.7 | 176.6 | 67.9 | 0 | 0 | 0 | 109.7 | I27 M30 E31 V82 W144 L151 | I27-L54 HydrophobicContact CD1-CD2 4.32Å; I27-L54 HydrophobicContact CG2-CD2 4Å; M30-L54 HydrophobicContact CB-CB 3.78Å; M30-L54 HydrophobicContact CB-CD2 4.16Å; M30-L54 HydrophobicContact CE-CB 4.48Å; M30-L54 HydrophobicContact CE-CD2 4.1Å; M30-L54 PolarHBondContact O-N 3.43Å; E31-L54 HydrophobicContact CG-CB 4.45Å; E31-L54 HydrophobicContact CG-CD2 4.22Å; E31-L54 HydrophobicContact CG-CG 4.45Å; L54-V82 HydrophobicContact CD1-CG2 4.43Å; L54-W144 HydrophobicContact CB-CH2 4.16Å; L54-L151 HydrophobicContact CD1-CD1 3.8Å; L54-L151 HydrophobicContact CD2-CD1 3.71Å; L54-L151 HydrophobicContact CG-CD1 4.43Å |
| 55 | Q | 92.4 | Very high | 80.6 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 20% | 0.201 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 95.1 | 161.3 | -179.9 | 57.5 | -91.3 | 0 | 0 | 107.8 | L57 S58 R59 Q60 L62 F173 | Q55-L57 VanDerWaalsContact C-N 3.33Å; Q55-L57 PolarHBondContact O-N 3.44Å; Q55-S58 WeakPolarHBondContact CG-OG 3.41Å; Q55-S58 PolarHBondContact O-N 3.46Å; Q55-R59 WeakPolarHBondContact O-CA 3.37Å; Q55-R59 PolarHBondContact O-N 3.44Å; Q55-Q60 HydrophobicContact CB-CB 4.43Å; Q55-Q60 PolarHBondContact N-O 3.04Å; Q55-Q60 PolarHBondContact O-N 3.15Å; Q55-Q60 VanDerWaalsContact O-N 3.09Å; Q55-L62 HydrophobicContact CB-CD1 3.75Å; Q55-L62 HydrophobicContact CB-CG 4.28Å; Q55-F173 HydrophobicContact CG-CD2 3.87Å; Q55-F173 HydrophobicContact CG-CE2 3.84Å |
| 56 | R | 90.5 | Very high | 80.8 | Confident | 79 Ų | 79 | 45.5 Ų | 45.5 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -41.6 | -172.4 | -179 | 175.7 | -175.3 | 160.3 | 3 | 112.6 | E24 E31 S58 R59 | E24-R56 IonicContact OE1-CZ 3.91Å; E24-R56 VanDerWaalsContact OE1-CZ 3.26Å; E24-R56 IonicContact OE1-NH1 3.44Å; E24-R56 PolarHBondContact OE1-NH1 2.85Å; E24-R56 IonicContact OE1-NH2 2.99Å; E24-R56 PolarHBondContact OE1-NH2 2.87Å; E24-R56 IonicContact OE2-CZ 3.37Å; E24-R56 IonicContact OE2-NH2 3.2Å; E24-R56 PolarHBondContact OE2-NH2 3.43Å; E24-R56 VanDerWaalsContact OE2-NH2 3.13Å; E31-R56 VanDerWaalsContact CD-CD 3.42Å; E31-R56 HydrophobicContact CG-CB 4.03Å; E31-R56 WeakPolarHBondContact OE1-CB 3.25Å; E31-R56 WeakPolarHBondContact OE1-CD 3.27Å; E31-R56 WeakPolarHBondContact OE2-CD 3.3Å; E31-R56 IonicContact OE2-NH1 3.14Å; E31-R56 PolarHBondContact OE2-NH1 2.81Å; E31-R56 VanDerWaalsContact OE2-NH1 3.13Å; R56-S58 PolarHBondContact O-N 3.21Å; R56-R59 WeakPolarHBondContact O-CD 3.22Å; R56-R59 PolarHBondContact O-N 2.64Å |
| 57 | L | 89.6 | Confident | 80.6 | Confident | 92 Ų | 92 | 49.7 Ų | 49.7 | 48% | 0.482 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -41.6 | -176.6 | -77.2 | -176.7 | 0 | 0 | 0 | 113 | Q55 R169 F173 | Q55-L57 VanDerWaalsContact C-N 3.33Å; Q55-L57 PolarHBondContact O-N 3.44Å; L57-R169 VanDerWaalsContact O-CD 3.24Å; L57-R169 WeakPolarHBondContact O-CD 3.26Å; L57-F173 HydrophobicContact CB-CE2 4.01Å; L57-F173 HydrophobicContact CB-CZ 4.2Å; L57-F173 HydrophobicContact CD1-CZ 4.13Å |
| 58 | S | 90.9 | Very high | 80.5 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -2.4 | 175.1 | 66 | 0 | 0 | 0 | 0 | 113.9 | Q55 R56 Q60 | Q55-S58 WeakPolarHBondContact CG-OG 3.41Å; Q55-S58 PolarHBondContact O-N 3.46Å; R56-S58 PolarHBondContact O-N 3.21Å; S58-Q60 PolarHBondContact O-N 3.01Å; S58-Q60 WeakPolarHBondContact OG-CG 3.34Å; S58-Q60 PolarHBondContact OG-OE1 2.9Å |
| 59 | R | 91.5 | Very high | 79.9 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 53.4 | -171.7 | -62.5 | -66.4 | -161.6 | -160.4 | 10.3 | 111.8 | Q55 R56 V82 E154 R166 | Q55-R59 WeakPolarHBondContact O-CA 3.37Å; Q55-R59 PolarHBondContact O-N 3.44Å; R56-R59 WeakPolarHBondContact O-CD 3.22Å; R56-R59 PolarHBondContact O-N 2.64Å; R59-V82 HydrophobicContact CB-CB 4.37Å; R59-V82 WeakPolarHBondContact O-CB 3.43Å; R59-V82 VanDerWaalsContact O-CG2 3.25Å; R59-V82 WeakPolarHBondContact O-CG2 3.43Å; R59-V82 PolarHBondContact O-N 3.14Å; R59-E154 IonicContact CZ-OE2 3.38Å; R59-E154 IonicContact NH2-OE2 3.9Å; R59-E154 PolarHBondContact NH2-OE2 3.25Å; R59-R166 HydrophobicContact CG-CG 4.42Å |
| 60 | Q | 92.3 | Very high | 79.5 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.8 | 176.5 | -67.2 | -178.3 | -72.6 | 0 | 0 | 112.6 | Q55 S58 L62 L80 R170 | Q55-Q60 HydrophobicContact CB-CB 4.43Å; Q55-Q60 PolarHBondContact N-O 3.04Å; Q55-Q60 PolarHBondContact O-N 3.15Å; Q55-Q60 VanDerWaalsContact O-N 3.09Å; S58-Q60 PolarHBondContact O-N 3.01Å; S58-Q60 WeakPolarHBondContact OG-CG 3.34Å; S58-Q60 PolarHBondContact OG-OE1 2.9Å; Q60-L62 HydrophobicContact CB-CD2 3.96Å; Q60-L62 HydrophobicContact CB-CG 4.39Å; Q60-L80 CarbonylContact C-O 3.42Å; Q60-L80 VanDerWaalsContact CA-O 3.27Å; Q60-L80 WeakPolarHBondContact CA-O 3.44Å; Q60-R170 VanDerWaalsContact NE2-CD 3.34Å |
| 61 | V | 93.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 119.4 | 167.4 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | L52 F63 G79 L80 V82 I85 W144 L148 | L52-V61 HydrophobicContact CD1-CG1 3.32Å; L52-V61 HydrophobicContact CG-CG1 4.08Å; V61-F63 HydrophobicContact CG1-CE2 4.28Å; V61-G79 CarbonylContact O-C 3.58Å; V61-G79 WeakPolarHBondContact O-CA 3.33Å; V61-L80 HydrophobicContact CB-CB 4.4Å; V61-L80 PolarHBondContact N-O 2.96Å; V61-L80 PolarHBondContact O-N 2.89Å; V61-V82 HydrophobicContact CG2-CG2 3.99Å; V61-I85 HydrophobicContact CG2-CD1 4.29Å; V61-W144 HydrophobicContact CG1-CH2 4.12Å; V61-W144 HydrophobicContact CG1-CZ3 3.84Å; V61-W144 HydrophobicContact CG2-CZ3 4.06Å; V61-L148 HydrophobicContact CG2-CD2 3.64Å |
| 62 | L | 90.3 | Very high | 76.2 | Confident | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.7 | -173.5 | -58.2 | -179.5 | 0 | 0 | 0 | 110.5 | L52 R53 Q55 Q60 Y64 F78 | L52-L62 WeakPolarHBondContact CA-O 3.42Å; R53-L62 PolarHBondContact N-O 3.34Å; R53-L62 PolarHBondContact O-N 3.1Å; Q55-L62 HydrophobicContact CB-CD1 3.75Å; Q55-L62 HydrophobicContact CB-CG 4.28Å; Q60-L62 HydrophobicContact CB-CD2 3.96Å; Q60-L62 HydrophobicContact CB-CG 4.39Å; L62-Y64 HydrophobicContact CB-CD2 4.21Å; L62-Y64 HydrophobicContact CB-CE2 3.5Å; L62-Y64 VanDerWaalsContact CB-CE2 3.5Å; L62-Y64 HydrophobicContact CD1-CE2 4.13Å; L62-Y64 WeakPolarHBondContact CD1-OH 3.24Å; L62-Y64 HydrophobicContact CG-CE2 4.47Å; L62-F78 WeakPolarHBondContact CA-O 3.45Å |
| 63 | F | 86.2 | Confident | 74.1 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 107 | 173.3 | -70.5 | -104.1 | 0 | 0 | 0 | 110.2 | R38 F51 L52 V61 P77 F78 I131 V133 | R38-F63 HydrophobicContact CB-CD1 4.46Å; R38-F63 HydrophobicContact CB-CE1 4.13Å; F51-F63 WeakPolarHBondContact O-CA 3.29Å; L52-F63 HydrophobicContact CD1-CD1 3.87Å; L52-F63 HydrophobicContact CD1-CD2 3.81Å; L52-F63 HydrophobicContact CD1-CE1 3.55Å; L52-F63 HydrophobicContact CD1-CE2 3.49Å; L52-F63 VanDerWaalsContact CD1-CE2 3.49Å; L52-F63 HydrophobicContact CD1-CG 4.02Å; L52-F63 HydrophobicContact CD1-CZ 3.35Å; V61-F63 HydrophobicContact CG1-CE2 4.28Å; F63-P77 WeakPolarHBondContact O-CA 3.35Å; F63-P77 VanDerWaalsContact O-CB 3.24Å; F63-P77 WeakPolarHBondContact O-CB 3.23Å; F63-F78 HydrophobicContact CB-CB 4.47Å; F63-F78 AromaticContact CD2-CD1 3.66Å; F63-F78 HydrophobicContact CD2-CD1 3.66Å; F63-F78 HydrophobicContact CD2-CE1 4.29Å; F63-F78 HydrophobicContact CE2-CD1 4.08Å; F63-F78 HydrophobicContact CE2-CE1 4.26Å; F63-F78 HydrophobicContact CG-CD1 4.45Å; F63-F78 PolarHBondContact N-O 3.43Å; F63-F78 PolarHBondContact O-N 2.98Å; F63-I131 HydrophobicContact CZ-CG2 4.08Å; F63-V133 HydrophobicContact CE1-CG1 4.23Å; F63-V133 HydrophobicContact CE1-CG2 3.86Å; F63-V133 HydrophobicContact CZ-CG2 3.65Å |
| 64 | Y | 74.7 | Confident | 72.3 | Confident | 58 Ų | 58 | 63 Ų | 63 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 149.6 | 177.1 | -62.4 | -91.2 | 0 | 0 | 0 | 111.3 | R50 F51 R53 L62 P77 | R50-Y64 CarbonylContact C-O 3.5Å; R50-Y64 WeakPolarHBondContact CA-O 3.48Å; R50-Y64 WeakPolarHBondContact CB-O 3.45Å; F51-Y64 PolarHBondContact N-O 3.38Å; F51-Y64 PolarHBondContact O-N 3.42Å; R53-Y64 HydrophobicContact CB-CD2 4.29Å; R53-Y64 HydrophobicContact CB-CE2 3.94Å; L62-Y64 HydrophobicContact CB-CD2 4.21Å; L62-Y64 HydrophobicContact CB-CE2 3.5Å; L62-Y64 VanDerWaalsContact CB-CE2 3.5Å; L62-Y64 HydrophobicContact CD1-CE2 4.13Å; L62-Y64 WeakPolarHBondContact CD1-OH 3.24Å; L62-Y64 HydrophobicContact CG-CE2 4.47Å; Y64-P77 HydrophobicContact CD1-CB 3.98Å; Y64-P77 HydrophobicContact CD1-CG 4.18Å; Y64-P77 HydrophobicContact CE1-CB 4.1Å; Y64-P77 HydrophobicContact CE1-CG 3.87Å; Y64-P77 HydrophobicContact CG-CB 4.34Å |
| 65 | K | 70.5 | Confident | 70.6 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 139.1 | 160.3 | -75.8 | -178.4 | 172.3 | 173.3 | 0 | 108.8 | D67 N68 E75 | K65-D67 PolarHBondContact O-N 3.48Å; K65-N68 PolarHBondContact O-N 3.45Å; K65-E75 VanDerWaalsContact CE-OE2 3.3Å; K65-E75 WeakPolarHBondContact CE-OE2 3.3Å; K65-E75 IonicContact NZ-OE2 3.02Å; K65-E75 PolarHBondContact NZ-OE2 3.26Å |
| 66 | T | 59.3 | Low | 69.4 | Low | 62 Ų | 62 | 74.3 Ų | 74.3 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.9 | -178.5 | 34.1 | 0 | 0 | 0 | 0 | 112.9 | A49 N68 | A49-T66 HydrophobicContact CB-CG2 4.19Å; A49-T66 VanDerWaalsContact O-CG2 3.31Å; A49-T66 WeakPolarHBondContact O-CG2 3.4Å; A49-T66 PolarHBondContact O-N 3.3Å; A49-T66 PolarHBondContact O-OG1 3.07Å; T66-N68 VanDerWaalsContact C-N 3.34Å; T66-N68 PolarHBondContact O-N 2.83Å |
| 67 | D | 56 | Low | 68.6 | Low | 140 Ų | 140 | 72.5 Ų | 72.5 | 75% | 0.749 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 14.8 | -176.6 | -58.7 | -33.2 | 0 | 0 | 0 | 114.8 | K65 V69 | K65-D67 PolarHBondContact O-N 3.48Å; D67-V69 PolarHBondContact O-N 2.86Å |
| 68 | N | 51.4 | Low | 68.1 | Low | 46 Ų | 46 | 71.6 Ų | 71.6 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | trans | -72.3 | 68.5 | -179.7 | -87.9 | 4.4 | 0 | 0 | 0 | 111.8 | K65 T66 W70 S74 E75 | K65-N68 PolarHBondContact O-N 3.45Å; T66-N68 VanDerWaalsContact C-N 3.34Å; T66-N68 PolarHBondContact O-N 2.83Å; N68-W70 PolarHBondContact O-N 3.35Å; N68-S74 PolarHBondContact ND2-OG 3.26Å; N68-E75 PolarHBondContact ND2-O 2.94Å | ||
| 69 | V | 49.1 | Very low | 67.7 | Low | 134 Ų | 134 | 72.7 Ų | 72.7 | 81% | 0.812 | 39% | 0.386 | S | S | * | . | trans | -69.5 | 115.6 | 157.6 | -178.2 | 0 | 0 | 0 | 0 | 106.5 | D67 G71 | D67-V69 PolarHBondContact O-N 2.86Å; V69-G71 PolarHBondContact O-N 3.5Å | ||
| 70 | W | 49.5 | Very low | 67.7 | Low | 134 Ų | 134 | 71.5 Ų | 71.5 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -67.7 | 107.5 | -169 | -154.8 | -99.3 | 0 | 0 | 0 | 111.4 | N68 S74 P178 | N68-W70 PolarHBondContact O-N 3.35Å; W70-S74 WeakPolarHBondContact CZ3-OG 3.49Å; W70-P178 HydrophobicContact CD2-CG 3.79Å; W70-P178 HydrophobicContact CE3-CG 4.05Å; W70-P178 HydrophobicContact CG-CG 4.44Å; W70-P178 HydrophobicContact CH2-CG 3.82Å; W70-P178 VanDerWaalsContact CZ2-CD 3.46Å; W70-P178 HydrophobicContact CZ2-CG 3.54Å; W70-P178 HydrophobicContact CZ3-CG 4.06Å |
| 71 | G | 49.4 | Very low | 67.6 | Low | 45 Ų | 45 | 71.1 Ų | 71.1 | 46% | 0.464 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -156.2 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | V69 G73 S74 | V69-G71 PolarHBondContact O-N 3.5Å; G71-G73 PolarHBondContact O-N 2.99Å; G71-S74 PolarHBondContact O-N 3.36Å; G71-S74 VanDerWaalsContact O-N 3.16Å |
| 72 | K | 42.7 | Very low | 67.5 | Low | 228 Ų | 228 | 71.3 Ų | 71.3 | 99% | 0.991 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 108.4 | 177.3 | -79.2 | -178.6 | 175.7 | 177.2 | 0 | 109.8 | ||
| 73 | G | 49.1 | Very low | 67.3 | Low | 79 Ų | 79 | 76.4 Ų | 76.4 | 81% | 0.814 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117.3 | -0.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G71 E75 | G71-G73 PolarHBondContact O-N 2.99Å; G73-E75 PolarHBondContact O-N 3.33Å |
| 74 | S | 54.2 | Low | 67.5 | Low | 33 Ų | 33 | 77.9 Ų | 77.9 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 120.6 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 111 | N68 W70 G71 | N68-S74 PolarHBondContact ND2-OG 3.26Å; W70-S74 WeakPolarHBondContact CZ3-OG 3.49Å; G71-S74 PolarHBondContact O-N 3.36Å; G71-S74 VanDerWaalsContact O-N 3.16Å |
| 75 | E | 60.5 | Low | 68.3 | Low | 112 Ų | 112 | 75.2 Ų | 75.2 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 135.6 | 177 | -158.5 | 177.7 | -169.9 | 0 | 0 | 109.7 | K65 N68 G73 | K65-E75 VanDerWaalsContact CE-OE2 3.3Å; K65-E75 WeakPolarHBondContact CE-OE2 3.3Å; K65-E75 IonicContact NZ-OE2 3.02Å; K65-E75 PolarHBondContact NZ-OE2 3.26Å; N68-E75 PolarHBondContact ND2-O 2.94Å; G73-E75 PolarHBondContact O-N 3.33Å |
| 76 | R | 67.2 | Low | 69.1 | Low | 171 Ų | 171 | 75.7 Ų | 75.7 | 65% | 0.645 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 139.1 | -178.8 | -69.6 | -177.2 | 179.4 | -179.1 | -2.7 | 110.4 | ||
| 77 | P | 72.3 | Confident | 70.5 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 142.7 | 179.2 | 27.9 | -34.2 | 0 | 0 | 0 | 110.9 | F63 Y64 G79 | F63-P77 WeakPolarHBondContact O-CA 3.35Å; F63-P77 VanDerWaalsContact O-CB 3.24Å; F63-P77 WeakPolarHBondContact O-CB 3.23Å; Y64-P77 HydrophobicContact CD1-CB 3.98Å; Y64-P77 HydrophobicContact CD1-CG 4.18Å; Y64-P77 HydrophobicContact CE1-CB 4.1Å; Y64-P77 HydrophobicContact CE1-CG 3.87Å; Y64-P77 HydrophobicContact CG-CB 4.34Å; P77-G79 PolarHBondContact O-N 2.81Å |
| 78 | F | 78.9 | Confident | 72.2 | Confident | 72 Ų | 72 | 68 Ų | 68 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 125.1 | 166.8 | 169.9 | -96.5 | 0 | 0 | 0 | 108.3 | L62 F63 L80 I131 | L62-F78 WeakPolarHBondContact CA-O 3.45Å; F63-F78 HydrophobicContact CB-CB 4.47Å; F63-F78 AromaticContact CD2-CD1 3.66Å; F63-F78 HydrophobicContact CD2-CD1 3.66Å; F63-F78 HydrophobicContact CD2-CE1 4.29Å; F63-F78 HydrophobicContact CE2-CD1 4.08Å; F63-F78 HydrophobicContact CE2-CE1 4.26Å; F63-F78 HydrophobicContact CG-CD1 4.45Å; F63-F78 PolarHBondContact N-O 3.43Å; F63-F78 PolarHBondContact O-N 2.98Å; F78-L80 HydrophobicContact CE1-CB 4.13Å; F78-L80 HydrophobicContact CZ-CB 4.49Å; F78-I131 HydrophobicContact CE1-CD1 3.67Å; F78-I131 HydrophobicContact CZ-CD1 3.94Å |
| 79 | G | 83.8 | Confident | 74.1 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V61 P77 | V61-G79 CarbonylContact O-C 3.58Å; V61-G79 WeakPolarHBondContact O-CA 3.33Å; P77-G79 PolarHBondContact O-N 2.81Å |
| 80 | L | 90.8 | Very high | 76.1 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.8 | 174.8 | 178.8 | 64.8 | 0 | 0 | 0 | 109.7 | Q60 V61 F78 T84 I85 I120 H122 I131 | Q60-L80 CarbonylContact C-O 3.42Å; Q60-L80 VanDerWaalsContact CA-O 3.27Å; Q60-L80 WeakPolarHBondContact CA-O 3.44Å; V61-L80 HydrophobicContact CB-CB 4.4Å; V61-L80 PolarHBondContact N-O 2.96Å; V61-L80 PolarHBondContact O-N 2.89Å; F78-L80 HydrophobicContact CE1-CB 4.13Å; F78-L80 HydrophobicContact CZ-CB 4.49Å; L80-T84 VanDerWaalsContact CD1-OG1 3.32Å; L80-T84 WeakPolarHBondContact CD1-OG1 3.42Å; L80-I85 HydrophobicContact CD2-CD1 3.93Å; L80-I85 HydrophobicContact CD2-CG1 3.77Å; L80-I85 HydrophobicContact CG-CD1 4.43Å; L80-I85 HydrophobicContact CG-CG1 4.17Å; L80-I120 HydrophobicContact CD2-CG2 3.81Å; L80-H122 HydrophobicContact CD1-CB 3.98Å; L80-H122 WeakPolarHBondContact CD1-ND1 3.32Å; L80-H122 HydrophobicContact CD2-CB 4.23Å; L80-I131 HydrophobicContact CD2-CD1 4.01Å |
| 81 | S | 90.9 | Very high | 77.9 | Confident | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130 | 177.2 | -53 | 0 | 0 | 0 | 0 | 110.3 | H83 T84 R170 | S81-H83 WeakPolarHBondContact CB-CE1 3.41Å; S81-H83 WeakPolarHBondContact CB-ND1 3.24Å; S81-H83 PolarHBondContact O-N 3.15Å; S81-T84 PolarHBondContact O-N 2.93Å; S81-T84 PolarHBondContact O-OG1 2.88Å; S81-R170 PolarHBondContact OG-NH1 2.89Å |
| 82 | V | 91.6 | Very high | 79.8 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -60.4 | -31.8 | -174.2 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | L54 R59 V61 T84 I85 L148 L151 | L54-V82 HydrophobicContact CD1-CG2 4.43Å; R59-V82 HydrophobicContact CB-CB 4.37Å; R59-V82 WeakPolarHBondContact O-CB 3.43Å; R59-V82 VanDerWaalsContact O-CG2 3.25Å; R59-V82 WeakPolarHBondContact O-CG2 3.43Å; R59-V82 PolarHBondContact O-N 3.14Å; V61-V82 HydrophobicContact CG2-CG2 3.99Å; V82-T84 PolarHBondContact O-N 3.39Å; V82-I85 HydrophobicContact CB-CD1 4.48Å; V82-I85 HydrophobicContact CG2-CD1 4.38Å; V82-I85 VanDerWaalsContact O-CB 3.28Å; V82-I85 WeakPolarHBondContact O-CB 3.16Å; V82-I85 PolarHBondContact O-N 2.84Å; V82-L148 HydrophobicContact CG2-CD2 4.17Å; V82-L151 HydrophobicContact CG1-CB 3.83Å |
| 83 | H | 85.7 | Confident | 81.7 | Confident | 124 Ų | 124 | 47.3 Ų | 47.3 | 57% | 0.574 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -64.6 | -19.1 | 176.5 | 64 | -98.7 | 0 | 0 | 0 | 114.3 | S81 | S81-H83 WeakPolarHBondContact CB-CE1 3.41Å; S81-H83 WeakPolarHBondContact CB-ND1 3.24Å; S81-H83 PolarHBondContact O-N 3.15Å |
| 84 | T | 89.2 | Confident | 83.1 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -85.5 | -14.3 | 175 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | L80 S81 V82 K86 H122 G123 | L80-T84 VanDerWaalsContact CD1-OG1 3.32Å; L80-T84 WeakPolarHBondContact CD1-OG1 3.42Å; S81-T84 PolarHBondContact O-N 2.93Å; S81-T84 PolarHBondContact O-OG1 2.88Å; V82-T84 PolarHBondContact O-N 3.39Å; T84-K86 PolarHBondContact O-N 3.27Å; T84-H122 CarbonylContact O-C 3.55Å; T84-H122 WeakPolarHBondContact O-CA 2.91Å; T84-H122 WeakPolarHBondContact O-CB 3.34Å; T84-G123 PolarHBondContact O-N 3.4Å |
| 85 | I | 92.3 | Very high | 84.2 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.2 | 177.9 | -60 | 177.3 | 0 | 0 | 0 | 107.9 | V61 L80 V82 V88 I120 H122 L148 R152 | V61-I85 HydrophobicContact CG2-CD1 4.29Å; L80-I85 HydrophobicContact CD2-CD1 3.93Å; L80-I85 HydrophobicContact CD2-CG1 3.77Å; L80-I85 HydrophobicContact CG-CD1 4.43Å; L80-I85 HydrophobicContact CG-CG1 4.17Å; V82-I85 HydrophobicContact CB-CD1 4.48Å; V82-I85 HydrophobicContact CG2-CD1 4.38Å; V82-I85 VanDerWaalsContact O-CB 3.28Å; V82-I85 WeakPolarHBondContact O-CB 3.16Å; V82-I85 PolarHBondContact O-N 2.84Å; I85-V88 HydrophobicContact CG2-CG2 3.31Å; I85-I120 HydrophobicContact CB-CG2 4.48Å; I85-I120 HydrophobicContact CD1-CG2 3.91Å; I85-I120 HydrophobicContact CG1-CG2 3.89Å; I85-I120 HydrophobicContact CG2-CG2 3.87Å; I85-H122 HydrophobicContact CG1-CB 4.35Å; I85-L148 HydrophobicContact CD1-CD1 4.33Å; I85-L148 HydrophobicContact CD1-CD2 4.13Å; I85-R152 WeakPolarHBondContact O-CD 3.48Å |
| 86 | K | 86.8 | Confident | 84.7 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -31.9 | 178.5 | -64.4 | -55.1 | -172.4 | 178.2 | 0 | 111.7 | T84 Y121 G123 L128 R152 | T84-K86 PolarHBondContact O-N 3.27Å; K86-Y121 PolarHBondContact N-O 3.08Å; K86-G123 WeakPolarHBondContact CE-O 2.93Å; K86-G123 WeakPolarHBondContact CG-O 3.45Å; K86-L128 HydrophobicContact CB-CD1 3.72Å; K86-L128 HydrophobicContact CB-CD2 4.25Å; K86-L128 HydrophobicContact CG-CD1 4.16Å; K86-L128 HydrophobicContact CG-CD2 3.75Å; K86-R152 PolarHBondContact O-NH1 2.87Å |
| 87 | D | 88.2 | Confident | 84.5 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 150.5 | -179.8 | -154.6 | 22 | 0 | 0 | 0 | 113.6 | H89 Y121 R152 | D87-H89 VanDerWaalsContact CG-NE2 3.27Å; D87-H89 IonicContact OD1-CD2 2.7Å; D87-H89 IonicContact OD1-CE1 2.95Å; D87-H89 IonicContact OD1-NE2 2.64Å; D87-H89 PolarHBondContact OD1-NE2 2.9Å; D87-H89 IonicContact OD2-CD2 3.8Å; D87-H89 PolarHBondContact OD2-CD2 2.84Å; D87-H89 VanDerWaalsContact OD2-CD2 3.22Å; D87-H89 IonicContact OD2-NE2 2.76Å; D87-H89 PolarHBondContact OD2-NE2 2.67Å; D87-Y121 HydrophobicContact CB-CD2 4.21Å; D87-Y121 PolarHBondContact N-O 3.41Å; D87-Y121 VanDerWaalsContact N-O 3.14Å; D87-Y121 PolarHBondContact O-N 3.13Å; D87-R152 IonicContact OD1-NH2 2.65Å |
| 88 | V | 92.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 122.2 | -176.7 | -173.9 | 0 | 0 | 0 | 0 | 112 | I85 L118 L119 I120 V145 L148 N149 | I85-V88 HydrophobicContact CG2-CG2 3.31Å; V88-L118 HydrophobicContact CG1-CD1 3.61Å; V88-L119 WeakPolarHBondContact CA-O 3.46Å; V88-I120 HydrophobicContact CG2-CG2 4.46Å; V88-V145 HydrophobicContact CG1-CG2 4.42Å; V88-L148 HydrophobicContact CB-CB 4.43Å; V88-L148 HydrophobicContact CG1-CB 4.23Å; V88-L148 HydrophobicContact CG1-CD1 4.07Å; V88-L148 HydrophobicContact CG2-CB 3.91Å; V88-L148 HydrophobicContact CG2-CD1 4.12Å; V88-N149 PolarHBondContact O-ND2 3.31Å |
| 89 | H | 90.3 | Very high | 82.4 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 162.7 | 178.9 | -62.9 | -73.3 | 0 | 0 | 0 | 112.2 | D87 Y93 L119 | D87-H89 VanDerWaalsContact CG-NE2 3.27Å; D87-H89 IonicContact OD1-CD2 2.7Å; D87-H89 IonicContact OD1-CE1 2.95Å; D87-H89 IonicContact OD1-NE2 2.64Å; D87-H89 PolarHBondContact OD1-NE2 2.9Å; D87-H89 IonicContact OD2-CD2 3.8Å; D87-H89 PolarHBondContact OD2-CD2 2.84Å; D87-H89 VanDerWaalsContact OD2-CD2 3.22Å; D87-H89 IonicContact OD2-NE2 2.76Å; D87-H89 PolarHBondContact OD2-NE2 2.67Å; H89-Y93 HydrophobicContact CB-CD1 3.8Å; H89-Y93 HydrophobicContact CB-CG 4.47Å; H89-Y93 AromaticContact CE1-CE1 3.49Å; H89-Y93 VanDerWaalsContact CE1-CE1 3.49Å; H89-Y93 WeakPolarHBondContact CE1-CE1 3.18Å; H89-Y93 AromaticContact CG-CD1 3.6Å; H89-Y93 AromaticContact CG-CE1 3.82Å; H89-Y93 AromaticContact ND1-CD1 3.28Å; H89-Y93 VanDerWaalsContact ND1-CD1 3.28Å; H89-Y93 WeakPolarHBondContact ND1-CD1 3.09Å; H89-Y93 AromaticContact ND1-CE1 3.21Å; H89-Y93 WeakPolarHBondContact ND1-CE1 3.02Å; H89-Y93 AromaticContact ND1-CZ 3.92Å; H89-L119 PolarHBondContact N-O 2.87Å; H89-L119 VanDerWaalsContact N-O 3.15Å; H89-L119 WeakPolarHBondContact O-CB 3.42Å; H89-L119 PolarHBondContact O-N 2.69Å |
| 90 | S | 91.6 | Very high | 80.9 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 157.5 | 162.5 | 63.2 | 0 | 0 | 0 | 0 | 110.6 | E92 Y93 K94 V117 | S90-E92 VanDerWaalsContact C-N 3.27Å; S90-E92 PolarHBondContact O-N 3.13Å; S90-Y93 PolarHBondContact O-N 2.85Å; S90-Y93 WeakPolarHBondContact OG-CB 3.11Å; S90-Y93 PolarHBondContact OG-N 2.79Å; S90-Y93 VanDerWaalsContact OG-N 3.08Å; S90-K94 PolarHBondContact O-N 3.49Å; S90-K94 VanDerWaalsContact O-N 3.13Å; S90-V117 CarbonylContact C-O 3.5Å; S90-V117 VanDerWaalsContact CA-O 3.25Å; S90-V117 WeakPolarHBondContact CA-O 3.31Å |
| 91 | L | 88.5 | Confident | 78.9 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 171 | -177.7 | 59.9 | 0 | 0 | 0 | 110.7 | Y93 K94 L95 W104 P114 V117 L119 | L91-Y93 VanDerWaalsContact C-N 3.33Å; L91-Y93 PolarHBondContact O-N 2.95Å; L91-K94 PolarHBondContact O-N 2.86Å; L91-K94 VanDerWaalsContact O-N 3.09Å; L91-L95 HydrophobicContact CD1-CG 4.24Å; L91-L95 HydrophobicContact CG-CD1 4Å; L91-L95 HydrophobicContact CG-CG 4.18Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 2.85Å; L91-W104 HydrophobicContact CD1-CB 3.89Å; L91-W104 HydrophobicContact CD1-CD2 3.53Å; L91-W104 HydrophobicContact CD1-CE3 3.38Å; L91-W104 HydrophobicContact CD1-CG 3.75Å; L91-W104 HydrophobicContact CD1-CZ3 4.1Å; L91-P114 HydrophobicContact CB-CB 4.13Å; L91-P114 HydrophobicContact CD2-CB 4.14Å; L91-P114 HydrophobicContact CG-CB 4.05Å; L91-V117 HydrophobicContact CB-CB 3.63Å; L91-V117 HydrophobicContact CB-CG1 3.87Å; L91-V117 HydrophobicContact CB-CG2 4.49Å; L91-V117 HydrophobicContact CD2-CB 4.1Å; L91-V117 HydrophobicContact CD2-CG1 4.13Å; L91-V117 HydrophobicContact CD2-CG2 4.16Å; L91-V117 PolarHBondContact N-O 2.72Å; L91-L119 HydrophobicContact CD1-CD1 4.21Å |
| 92 | E | 88 | Confident | 77 | Confident | 55 Ų | 55 | 50.3 Ų | 50.3 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.9 | -49 | 175.2 | -177.6 | 65.8 | -167.6 | 0 | 0 | 111.8 | S90 K94 L95 N96 P114 N115 | S90-E92 VanDerWaalsContact C-N 3.27Å; S90-E92 PolarHBondContact O-N 3.13Å; E92-K94 VanDerWaalsContact C-N 3.31Å; E92-K94 PolarHBondContact O-N 3.04Å; E92-L95 PolarHBondContact O-N 2.79Å; E92-N96 PolarHBondContact O-N 3.49Å; E92-N96 VanDerWaalsContact O-N 3.07Å; E92-N96 PolarHBondContact O-ND2 3.48Å; E92-N96 PolarHBondContact OE1-ND2 2.63Å; E92-P114 HydrophobicContact CB-CB 4.13Å; E92-P114 PolarHBondContact N-O 3.49Å; E92-P114 VanDerWaalsContact N-O 3.14Å; E92-P114 WeakPolarHBondContact OE2-CG 3.41Å; E92-N115 WeakPolarHBondContact CB-OD1 3.02Å; E92-N115 WeakPolarHBondContact CG-OD1 3.42Å |
| 93 | Y | 83.4 | Confident | 75.3 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 177.1 | 176.9 | -90.7 | 0 | 0 | 0 | 110.9 | D14 H89 S90 L91 L95 N96 T97 | D14-Y93 WeakPolarHBondContact OD1-CE2 3.48Å; H89-Y93 HydrophobicContact CB-CD1 3.8Å; H89-Y93 HydrophobicContact CB-CG 4.47Å; H89-Y93 AromaticContact CE1-CE1 3.49Å; H89-Y93 VanDerWaalsContact CE1-CE1 3.49Å; H89-Y93 WeakPolarHBondContact CE1-CE1 3.18Å; H89-Y93 AromaticContact CG-CD1 3.6Å; H89-Y93 AromaticContact CG-CE1 3.82Å; H89-Y93 AromaticContact ND1-CD1 3.28Å; H89-Y93 VanDerWaalsContact ND1-CD1 3.28Å; H89-Y93 WeakPolarHBondContact ND1-CD1 3.09Å; H89-Y93 AromaticContact ND1-CE1 3.21Å; H89-Y93 WeakPolarHBondContact ND1-CE1 3.02Å; H89-Y93 AromaticContact ND1-CZ 3.92Å; S90-Y93 PolarHBondContact O-N 2.85Å; S90-Y93 WeakPolarHBondContact OG-CB 3.11Å; S90-Y93 PolarHBondContact OG-N 2.79Å; S90-Y93 VanDerWaalsContact OG-N 3.08Å; L91-Y93 VanDerWaalsContact C-N 3.33Å; L91-Y93 PolarHBondContact O-N 2.95Å; Y93-L95 VanDerWaalsContact C-N 3.34Å; Y93-L95 PolarHBondContact O-N 3.37Å; Y93-N96 PolarHBondContact O-N 3.2Å; Y93-T97 HydrophobicContact CD1-CG2 4.2Å; Y93-T97 HydrophobicContact CD2-CG2 3.86Å; Y93-T97 HydrophobicContact CE1-CG2 3.86Å; Y93-T97 WeakPolarHBondContact CE1-OG1 3.39Å; Y93-T97 HydrophobicContact CE2-CG2 3.53Å; Y93-T97 HydrophobicContact CG-CG2 4.21Å; Y93-T97 WeakPolarHBondContact O-CB 3.31Å; Y93-T97 WeakPolarHBondContact O-CG2 3.24Å; Y93-T97 PolarHBondContact O-N 2.77Å; Y93-T97 PolarHBondContact O-OG1 3.4Å |
| 94 | K | 78.2 | Confident | 74 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | -179.6 | -166.8 | 69.6 | -177.6 | 167.8 | 0 | 112.1 | S90 L91 E92 N96 T98 L119 | S90-K94 PolarHBondContact O-N 3.49Å; S90-K94 VanDerWaalsContact O-N 3.13Å; L91-K94 PolarHBondContact O-N 2.86Å; L91-K94 VanDerWaalsContact O-N 3.09Å; E92-K94 VanDerWaalsContact C-N 3.31Å; E92-K94 PolarHBondContact O-N 3.04Å; K94-N96 VanDerWaalsContact C-N 3.32Å; K94-N96 PolarHBondContact O-N 2.74Å; K94-T98 VanDerWaalsContact CD-OG1 3.27Å; K94-T98 WeakPolarHBondContact CD-OG1 3.26Å; K94-T98 WeakPolarHBondContact CE-OG1 3.39Å; K94-T98 PolarHBondContact NZ-OG1 2.64Å; K94-T98 VanDerWaalsContact NZ-OG1 3.1Å; K94-T98 VanDerWaalsContact O-CB 3.26Å; K94-T98 WeakPolarHBondContact O-CB 3.13Å; K94-T98 PolarHBondContact O-N 3.14Å; K94-T98 PolarHBondContact O-OG1 3.07Å; K94-L119 HydrophobicContact CB-CD1 4.11Å; K94-L119 HydrophobicContact CG-CD1 4.35Å |
| 95 | L | 77.9 | Confident | 72.5 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -32.7 | 177.6 | -67.9 | 172.8 | 0 | 0 | 0 | 112.7 | L91 E92 Y93 V101 W104 P114 | L91-L95 HydrophobicContact CD1-CG 4.24Å; L91-L95 HydrophobicContact CG-CD1 4Å; L91-L95 HydrophobicContact CG-CG 4.18Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 2.85Å; E92-L95 PolarHBondContact O-N 2.79Å; Y93-L95 VanDerWaalsContact C-N 3.34Å; Y93-L95 PolarHBondContact O-N 3.37Å; L95-V101 HydrophobicContact CD2-CG1 3.25Å; L95-W104 HydrophobicContact CD2-CB 3.71Å; L95-W104 HydrophobicContact CD2-CG 4.49Å; L95-P114 HydrophobicContact CD1-CB 3.89Å; L95-P114 HydrophobicContact CD1-CG 4.47Å |
| 96 | N | 71.1 | Confident | 71 | Confident | 119 Ų | 119 | 57.9 Ų | 57.9 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -92 | -26.3 | -177.5 | -69.7 | -30.9 | 0 | 0 | 0 | 114 | E92 Y93 K94 | E92-N96 PolarHBondContact O-N 3.49Å; E92-N96 VanDerWaalsContact O-N 3.07Å; E92-N96 PolarHBondContact O-ND2 3.48Å; E92-N96 PolarHBondContact OE1-ND2 2.63Å; Y93-N96 PolarHBondContact O-N 3.2Å; K94-N96 VanDerWaalsContact C-N 3.32Å; K94-N96 PolarHBondContact O-N 2.74Å |
| 97 | T | 61.3 | Low | 69.6 | Low | 70 Ų | 70 | 62.6 Ų | 62.6 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -97.2 | -35.6 | -178.9 | 53 | 0 | 0 | 0 | 0 | 113.4 | Y93 | Y93-T97 HydrophobicContact CD1-CG2 4.2Å; Y93-T97 HydrophobicContact CD2-CG2 3.86Å; Y93-T97 HydrophobicContact CE1-CG2 3.86Å; Y93-T97 WeakPolarHBondContact CE1-OG1 3.39Å; Y93-T97 HydrophobicContact CE2-CG2 3.53Å; Y93-T97 HydrophobicContact CG-CG2 4.21Å; Y93-T97 WeakPolarHBondContact O-CB 3.31Å; Y93-T97 WeakPolarHBondContact O-CG2 3.24Å; Y93-T97 PolarHBondContact O-N 2.77Å; Y93-T97 PolarHBondContact O-OG1 3.4Å |
| 98 | T | 57.6 | Low | 68.4 | Low | 27 Ų | 27 | 64.3 Ų | 64.3 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | trans | -94.5 | 117 | 177.3 | -44.4 | 0 | 0 | 0 | 0 | 107.1 | K94 V100 | K94-T98 VanDerWaalsContact CD-OG1 3.27Å; K94-T98 WeakPolarHBondContact CD-OG1 3.26Å; K94-T98 WeakPolarHBondContact CE-OG1 3.39Å; K94-T98 PolarHBondContact NZ-OG1 2.64Å; K94-T98 VanDerWaalsContact NZ-OG1 3.1Å; K94-T98 VanDerWaalsContact O-CB 3.26Å; K94-T98 WeakPolarHBondContact O-CB 3.13Å; K94-T98 PolarHBondContact O-N 3.14Å; K94-T98 PolarHBondContact O-OG1 3.07Å; T98-V100 HydrophobicContact CG2-CB 4.12Å; T98-V100 HydrophobicContact CG2-CG2 4.33Å; T98-V100 PolarHBondContact O-N 2.9Å | ||
| 99 | M | 50.4 | Low | 67.3 | Low | 119 Ų | 119 | 64.4 Ų | 64.4 | 59% | 0.586 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -58.6 | -10.7 | 175.6 | -73.9 | -173.8 | 57.6 | 0 | 0 | 113.3 | V101 Y398 | M99-V101 WeakPolarHBondContact O-CG2 3.45Å; M99-V101 PolarHBondContact O-N 3.3Å; M99-Y398 HydrophobicContact CE-CD2 3.96Å; M99-Y398 HydrophobicContact CE-CE2 3.81Å; M99-Y398 HydrophobicContact SD-CD1 4.22Å; M99-Y398 HydrophobicContact SD-CD2 3.79Å; M99-Y398 HydrophobicContact SD-CE1 4.41Å; M99-Y398 HydrophobicContact SD-CE2 4Å; M99-Y398 HydrophobicContact SD-CG 3.92Å |
| 100 | V | 52.4 | Low | 66.3 | Low | 29 Ų | 29 | 69.1 Ų | 69.1 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | trans | -101.8 | 92 | -170.4 | -167.5 | 0 | 0 | 0 | 0 | 110.2 | T98 L348 D395 | T98-V100 HydrophobicContact CG2-CB 4.12Å; T98-V100 HydrophobicContact CG2-CG2 4.33Å; T98-V100 PolarHBondContact O-N 2.9Å; V100-L348 HydrophobicContact CB-CD1 3.51Å; V100-L348 HydrophobicContact CG1-CD1 3.39Å; V100-L348 HydrophobicContact CG2-CD1 3.27Å; V100-D395 HydrophobicContact CG2-CB 3.66Å; V100-D395 VanDerWaalsContact CG2-CG 3.45Å | ||
| 101 | V | 48.6 | Very low | 65.7 | Low | 29 Ų | 29 | 75.6 Ų | 75.6 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | trans | -95.7 | -14.2 | -166.8 | -149.1 | 0 | 0 | 0 | 0 | 112.9 | L95 M99 K103 W104 R105 | L95-V101 HydrophobicContact CD2-CG1 3.25Å; M99-V101 WeakPolarHBondContact O-CG2 3.45Å; M99-V101 PolarHBondContact O-N 3.3Å; V101-K103 PolarHBondContact O-N 2.88Å; V101-W104 PolarHBondContact O-N 3.26Å; V101-W104 VanDerWaalsContact O-N 3.1Å; V101-R105 HydrophobicContact CB-CG 4.39Å; V101-R105 HydrophobicContact CG1-CG 3.84Å; V101-R105 WeakPolarHBondContact O-CG 3.18Å; V101-R105 PolarHBondContact O-N 3.32Å | ||
| 102 | E | 51.6 | Low | 65.4 | Low | 159 Ų | 159 | 77.3 Ų | 77.3 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -61.6 | -45.3 | -166.7 | -74.2 | -163.4 | 153.9 | 0 | 0 | 114.1 | W104 R105 | E102-W104 PolarHBondContact O-N 2.9Å; E102-W104 VanDerWaalsContact O-N 3.1Å; E102-R105 PolarHBondContact O-N 2.86Å; E102-R105 VanDerWaalsContact O-N 3.16Å |
| 103 | K | 55.7 | Low | 65.4 | Low | 99 Ų | 99 | 78.1 Ų | 78.1 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -57.2 | -30.9 | 178.8 | -173.4 | 170.1 | -176.6 | 160.9 | 0 | 112.2 | V101 Q106 | V101-K103 PolarHBondContact O-N 2.88Å; K103-Q106 WeakPolarHBondContact O-CG 3.45Å |
| 104 | W | 59.4 | Low | 65.7 | Low | 15 Ų | 15 | 76.9 Ų | 76.9 | 6% | 0.057 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -95.7 | -14.5 | -175.6 | -60.2 | 110.6 | 0 | 0 | 0 | 113.9 | L91 L95 V101 E102 Q106 M109 L119 Y121 L130 V132 | L91-W104 HydrophobicContact CD1-CB 3.89Å; L91-W104 HydrophobicContact CD1-CD2 3.53Å; L91-W104 HydrophobicContact CD1-CE3 3.38Å; L91-W104 HydrophobicContact CD1-CG 3.75Å; L91-W104 HydrophobicContact CD1-CZ3 4.1Å; L95-W104 HydrophobicContact CD2-CB 3.71Å; L95-W104 HydrophobicContact CD2-CG 4.49Å; V101-W104 PolarHBondContact O-N 3.26Å; V101-W104 VanDerWaalsContact O-N 3.1Å; E102-W104 PolarHBondContact O-N 2.9Å; E102-W104 VanDerWaalsContact O-N 3.1Å; W104-Q106 VanDerWaalsContact C-N 3.26Å; W104-Q106 PolarHBondContact O-N 3.27Å; W104-M109 VanDerWaalsContact O-CB 3.32Å; W104-M109 WeakPolarHBondContact O-CB 3.46Å; W104-L119 HydrophobicContact CH2-CD1 3.47Å; W104-L119 VanDerWaalsContact CH2-CD1 3.47Å; W104-L119 HydrophobicContact CH2-CD2 3.55Å; W104-L119 HydrophobicContact CH2-CG 4.1Å; W104-L119 HydrophobicContact CZ2-CD1 3.7Å; W104-L119 HydrophobicContact CZ3-CD1 3.94Å; W104-L119 HydrophobicContact CZ3-CD2 3.53Å; W104-L119 HydrophobicContact CZ3-CG 4.4Å; W104-Y121 WeakPolarHBondContact CZ2-OH 3.41Å; W104-L130 HydrophobicContact CH2-CD1 4.39Å; W104-L130 HydrophobicContact CH2-CD2 3.45Å; W104-L130 VanDerWaalsContact CH2-CD2 3.45Å; W104-L130 HydrophobicContact CZ2-CD2 4.17Å; W104-L130 HydrophobicContact CZ3-CD2 4.28Å; W104-V132 HydrophobicContact CZ3-CG2 4.32Å |
| 105 | R | 57.1 | Low | 66.3 | Low | 135 Ų | 135 | 78.3 Ų | 78.3 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | trans | -88 | 16.6 | 173.1 | -71.1 | -177.1 | -173.1 | -105.7 | -0.6 | 113.3 | V101 E102 I110 | V101-R105 HydrophobicContact CB-CG 4.39Å; V101-R105 HydrophobicContact CG1-CG 3.84Å; V101-R105 WeakPolarHBondContact O-CG 3.18Å; V101-R105 PolarHBondContact O-N 3.32Å; E102-R105 PolarHBondContact O-N 2.86Å; E102-R105 VanDerWaalsContact O-N 3.16Å; R105-I110 VanDerWaalsContact O-CD1 3.28Å; R105-I110 WeakPolarHBondContact O-CD1 3.13Å | ||
| 106 | Q | 59.5 | Low | 67.1 | Low | 73 Ų | 73 | 79.3 Ų | 79.3 | 34% | 0.341 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -60.8 | 143.4 | 170.7 | -67.7 | 178.2 | 4 | 0 | 0 | 110.2 | K103 W104 E108 M109 I110 | K103-Q106 WeakPolarHBondContact O-CG 3.45Å; W104-Q106 VanDerWaalsContact C-N 3.26Å; W104-Q106 PolarHBondContact O-N 3.27Å; Q106-E108 PolarHBondContact O-N 3.44Å; Q106-M109 PolarHBondContact O-N 3.36Å; Q106-I110 PolarHBondContact O-N 3.46Å |
| 107 | K | 57.5 | Low | 68.1 | Low | 178 Ų | 178 | 73.6 Ų | 73.6 | 77% | 0.774 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -49.8 | -30.9 | -176.6 | -75 | -173.6 | 176.2 | -175 | 0 | 113.3 | ||
| 108 | E | 63.3 | Low | 69.7 | Low | 75 Ų | 75 | 70.3 Ų | 70.3 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.6 | -29.2 | -179.1 | -60.3 | -174.4 | 165.9 | 0 | 0 | 114.1 | Q106 R111 F112 | Q106-E108 PolarHBondContact O-N 3.44Å; E108-R111 WeakPolarHBondContact O-CG 3.49Å; E108-R111 PolarHBondContact O-NE 3.37Å; E108-R111 VanDerWaalsContact O-NE 3.08Å; E108-F112 WeakPolarHBondContact O-CD2 3.45Å; E108-F112 WeakPolarHBondContact O-CE2 3.24Å |
| 109 | M | 69.8 | Low | 71.4 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -90.8 | -31.7 | -176.4 | -74.6 | -68.1 | 133.9 | 0 | 0 | 112.7 | V39 L41 W104 Q106 R111 F112 V132 | V39-M109 HydrophobicContact CB-CE 4.11Å; V39-M109 HydrophobicContact CG1-CE 3.56Å; V39-M109 HydrophobicContact CG2-CE 4.37Å; L41-M109 HydrophobicContact CD2-CE 3.71Å; W104-M109 VanDerWaalsContact O-CB 3.32Å; W104-M109 WeakPolarHBondContact O-CB 3.46Å; Q106-M109 PolarHBondContact O-N 3.36Å; M109-R111 PolarHBondContact O-N 3.45Å; M109-R111 VanDerWaalsContact O-N 3.07Å; M109-F112 PolarHBondContact O-N 3.02Å; M109-F112 HydrophobicContact SD-CD2 4.45Å; M109-V132 HydrophobicContact CE-CG1 4.07Å; M109-V132 HydrophobicContact SD-CG1 4.28Å |
| 110 | I | 70.7 | Confident | 73.4 | Confident | 118 Ų | 118 | 63.3 Ų | 63.3 | 61% | 0.605 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.5 | -29 | -177.3 | -66.9 | 171.5 | 0 | 0 | 0 | 112.9 | R105 Q106 F112 | R105-I110 VanDerWaalsContact O-CD1 3.28Å; R105-I110 WeakPolarHBondContact O-CD1 3.13Å; Q106-I110 PolarHBondContact O-N 3.46Å; I110-F112 VanDerWaalsContact C-N 3.26Å; I110-F112 PolarHBondContact O-N 2.92Å |
| 111 | R | 77 | Confident | 75.2 | Confident | 155 Ų | 155 | 63.1 Ų | 63.1 | 59% | 0.585 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9.9 | -179.3 | 68.4 | -175.1 | 172.3 | 174.2 | 1.7 | 114.6 | M45 E108 M109 | M45-R111 PolarHBondContact SD-NH2 3.18Å; M45-R111 VanDerWaalsContact SD-NH2 3.36Å; E108-R111 WeakPolarHBondContact O-CG 3.49Å; E108-R111 PolarHBondContact O-NE 3.37Å; E108-R111 VanDerWaalsContact O-NE 3.08Å; M109-R111 PolarHBondContact O-N 3.45Å; M109-R111 VanDerWaalsContact O-N 3.07Å |
| 112 | F | 82.8 | Confident | 77.2 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -104.3 | 143.8 | -177 | -58.1 | -59.3 | 0 | 0 | 0 | 111 | M45 E108 M109 I110 P114 V117 I134 | M45-F112 HydrophobicContact SD-CZ 3.85Å; E108-F112 WeakPolarHBondContact O-CD2 3.45Å; E108-F112 WeakPolarHBondContact O-CE2 3.24Å; M109-F112 PolarHBondContact O-N 3.02Å; M109-F112 HydrophobicContact SD-CD2 4.45Å; I110-F112 VanDerWaalsContact C-N 3.26Å; I110-F112 PolarHBondContact O-N 2.92Å; F112-P114 VanDerWaalsContact O-CD 3.29Å; F112-P114 WeakPolarHBondContact O-CD 3.33Å; F112-V117 HydrophobicContact CB-CG2 3.95Å; F112-I134 HydrophobicContact CD1-CD1 3.55Å; F112-I134 HydrophobicContact CD2-CD1 3.69Å; F112-I134 HydrophobicContact CE1-CD1 3.42Å; F112-I134 VanDerWaalsContact CE1-CD1 3.42Å; F112-I134 HydrophobicContact CE2-CD1 3.55Å; F112-I134 HydrophobicContact CG-CD1 3.68Å; F112-I134 HydrophobicContact CG-CG1 4.42Å; F112-I134 HydrophobicContact CZ-CD1 3.4Å; F112-I134 VanDerWaalsContact CZ-CD1 3.4Å |
| 113 | D | 88.8 | Confident | 78.9 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | trans | -65.8 | 113.5 | 171.8 | 178.2 | -1.4 | 0 | 0 | 0 | 109.4 | N115 K116 | D113-N115 PolarHBondContact O-N 3.39Å; D113-N115 VanDerWaalsContact O-N 3.1Å; D113-N115 WeakPolarHBondContact OD1-CB 3.24Å; D113-N115 PolarHBondContact OD1-N 3.38Å; D113-N115 VanDerWaalsContact OD1-N 3.09Å; D113-N115 PolarHBondContact OD1-ND2 2.85Å; D113-K116 HydrophobicContact CB-CB 4.43Å; D113-K116 HydrophobicContact CB-CD 4.1Å; D113-K116 HydrophobicContact CB-CG 4.12Å; D113-K116 PolarHBondContact O-N 3.26Å; D113-K116 VanDerWaalsContact OD2-CE 3.28Å; D113-K116 WeakPolarHBondContact OD2-CE 3.43Å | ||
| 114 | P | 88.5 | Confident | 80.1 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -61.6 | -21 | -175.4 | 26.4 | -36.4 | 0 | 0 | 0 | 113.5 | L91 E92 L95 F112 K116 V117 | L91-P114 HydrophobicContact CB-CB 4.13Å; L91-P114 HydrophobicContact CD2-CB 4.14Å; L91-P114 HydrophobicContact CG-CB 4.05Å; E92-P114 HydrophobicContact CB-CB 4.13Å; E92-P114 PolarHBondContact N-O 3.49Å; E92-P114 VanDerWaalsContact N-O 3.14Å; E92-P114 WeakPolarHBondContact OE2-CG 3.41Å; L95-P114 HydrophobicContact CD1-CB 3.89Å; L95-P114 HydrophobicContact CD1-CG 4.47Å; F112-P114 VanDerWaalsContact O-CD 3.29Å; F112-P114 WeakPolarHBondContact O-CD 3.33Å; P114-K116 PolarHBondContact O-N 2.84Å; P114-V117 PolarHBondContact O-N 3.13Å |
| 115 | N | 91.9 | Very high | 81.1 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -73.4 | -13 | 174.7 | -72.8 | -65.5 | 0 | 0 | 0 | 113.5 | E92 D113 Y138 C141 | E92-N115 WeakPolarHBondContact CB-OD1 3.02Å; E92-N115 WeakPolarHBondContact CG-OD1 3.42Å; D113-N115 PolarHBondContact O-N 3.39Å; D113-N115 VanDerWaalsContact O-N 3.1Å; D113-N115 WeakPolarHBondContact OD1-CB 3.24Å; D113-N115 PolarHBondContact OD1-N 3.38Å; D113-N115 VanDerWaalsContact OD1-N 3.09Å; D113-N115 PolarHBondContact OD1-ND2 2.85Å; N115-Y138 HydrophobicContact CB-CD2 3.83Å; N115-C141 WeakPolarHBondContact O-CB 3.15Å |
| 116 | K | 93.9 | Very high | 82.4 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -107.9 | -0.7 | 179.1 | -59.4 | -174.3 | -175.6 | -169.1 | 0 | 113.2 | D113 P114 L135 E136 | D113-K116 HydrophobicContact CB-CB 4.43Å; D113-K116 HydrophobicContact CB-CD 4.1Å; D113-K116 HydrophobicContact CB-CG 4.12Å; D113-K116 PolarHBondContact O-N 3.26Å; D113-K116 VanDerWaalsContact OD2-CE 3.28Å; D113-K116 WeakPolarHBondContact OD2-CE 3.43Å; P114-K116 PolarHBondContact O-N 2.84Å; K116-L135 WeakPolarHBondContact CB-O 3.33Å; K116-L135 PolarHBondContact O-N 3.29Å; K116-E136 PolarHBondContact NZ-O 3.3Å |
| 117 | V | 92.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.8 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | S90 L91 F112 P114 L119 V132 V133 I134 | S90-V117 CarbonylContact C-O 3.5Å; S90-V117 VanDerWaalsContact CA-O 3.25Å; S90-V117 WeakPolarHBondContact CA-O 3.31Å; L91-V117 HydrophobicContact CB-CB 3.63Å; L91-V117 HydrophobicContact CB-CG1 3.87Å; L91-V117 HydrophobicContact CB-CG2 4.49Å; L91-V117 HydrophobicContact CD2-CB 4.1Å; L91-V117 HydrophobicContact CD2-CG1 4.13Å; L91-V117 HydrophobicContact CD2-CG2 4.16Å; L91-V117 PolarHBondContact N-O 2.72Å; F112-V117 HydrophobicContact CB-CG2 3.95Å; P114-V117 PolarHBondContact O-N 3.13Å; V117-L119 HydrophobicContact CG1-CD2 4.04Å; V117-V132 HydrophobicContact CG1-CG1 3.69Å; V117-V133 CarbonylContact C-O 3.38Å; V117-V133 WeakPolarHBondContact CA-O 3.23Å; V117-I134 HydrophobicContact CG2-CG1 4.28Å |
| 118 | L | 94.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.4 | 175.8 | 178.4 | 72.3 | 0 | 0 | 0 | 110.2 | L52 V88 I120 V133 L135 W144 V145 | L52-L118 HydrophobicContact CD2-CD2 4.35Å; V88-L118 HydrophobicContact CG1-CD1 3.61Å; L118-I120 HydrophobicContact CD2-CD1 3.88Å; L118-I120 HydrophobicContact CD2-CG1 4.07Å; L118-I120 HydrophobicContact CG-CD1 4.38Å; L118-I120 HydrophobicContact CG-CG1 4.03Å; L118-V133 HydrophobicContact CB-CB 4.27Å; L118-V133 PolarHBondContact N-O 2.82Å; L118-V133 PolarHBondContact O-N 2.89Å; L118-L135 HydrophobicContact CB-CD1 4.18Å; L118-L135 HydrophobicContact CD2-CD1 4.39Å; L118-W144 HydrophobicContact CD1-CB 4.24Å; L118-W144 HydrophobicContact CD2-CB 3.74Å; L118-W144 HydrophobicContact CD2-CG 4.19Å; L118-V145 HydrophobicContact CD1-CG2 3.48Å; L118-V145 VanDerWaalsContact CD1-CG2 3.48Å |
| 119 | L | 92.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.3 | 176.2 | -53.1 | -178.3 | 0 | 0 | 0 | 109.1 | V88 H89 L91 K94 W104 V117 Y121 L130 V132 | V88-L119 WeakPolarHBondContact CA-O 3.46Å; H89-L119 PolarHBondContact N-O 2.87Å; H89-L119 VanDerWaalsContact N-O 3.15Å; H89-L119 WeakPolarHBondContact O-CB 3.42Å; H89-L119 PolarHBondContact O-N 2.69Å; L91-L119 HydrophobicContact CD1-CD1 4.21Å; K94-L119 HydrophobicContact CB-CD1 4.11Å; K94-L119 HydrophobicContact CG-CD1 4.35Å; W104-L119 HydrophobicContact CH2-CD1 3.47Å; W104-L119 VanDerWaalsContact CH2-CD1 3.47Å; W104-L119 HydrophobicContact CH2-CD2 3.55Å; W104-L119 HydrophobicContact CH2-CG 4.1Å; W104-L119 HydrophobicContact CZ2-CD1 3.7Å; W104-L119 HydrophobicContact CZ3-CD1 3.94Å; W104-L119 HydrophobicContact CZ3-CD2 3.53Å; W104-L119 HydrophobicContact CZ3-CG 4.4Å; V117-L119 HydrophobicContact CG1-CD2 4.04Å; L119-Y121 HydrophobicContact CB-CE2 4.21Å; L119-L130 HydrophobicContact CB-CD1 4.08Å; L119-L130 HydrophobicContact CD2-CD1 4.43Å; L119-V132 HydrophobicContact CD2-CB 4.39Å; L119-V132 HydrophobicContact CD2-CG1 4.03Å; L119-V132 HydrophobicContact CD2-CG2 3.97Å |
| 120 | I | 92.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 110.8 | 178.3 | -54.5 | 171.9 | 0 | 0 | 0 | 108.5 | L80 I85 V88 L118 I131 L148 | L80-I120 HydrophobicContact CD2-CG2 3.81Å; I85-I120 HydrophobicContact CB-CG2 4.48Å; I85-I120 HydrophobicContact CD1-CG2 3.91Å; I85-I120 HydrophobicContact CG1-CG2 3.89Å; I85-I120 HydrophobicContact CG2-CG2 3.87Å; V88-I120 HydrophobicContact CG2-CG2 4.46Å; L118-I120 HydrophobicContact CD2-CD1 3.88Å; L118-I120 HydrophobicContact CD2-CG1 4.07Å; L118-I120 HydrophobicContact CG-CD1 4.38Å; L118-I120 HydrophobicContact CG-CG1 4.03Å; I120-I131 HydrophobicContact CB-CB 4.33Å; I120-I131 PolarHBondContact N-O 3.12Å; I120-I131 PolarHBondContact O-N 3.15Å; I120-L148 HydrophobicContact CD1-CD1 4.03Å; I120-L148 HydrophobicContact CG1-CD1 4.31Å |
| 121 | Y | 89.9 | Confident | 87.6 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.3 | 171.8 | -64 | -94.2 | 0 | 0 | 0 | 109.4 | K86 D87 W104 L119 L128 Q129 L130 | K86-Y121 PolarHBondContact N-O 3.08Å; D87-Y121 HydrophobicContact CB-CD2 4.21Å; D87-Y121 PolarHBondContact N-O 3.41Å; D87-Y121 VanDerWaalsContact N-O 3.14Å; D87-Y121 PolarHBondContact O-N 3.13Å; W104-Y121 WeakPolarHBondContact CZ2-OH 3.41Å; L119-Y121 HydrophobicContact CB-CE2 4.21Å; Y121-L128 HydrophobicContact CD1-CB 4.37Å; Y121-Q129 CarbonylContact C-O 3.54Å; Y121-Q129 WeakPolarHBondContact CA-O 3.43Å; Y121-L130 HydrophobicContact CD1-CB 4.22Å; Y121-L130 HydrophobicContact CD1-CD1 4.12Å; Y121-L130 HydrophobicContact CD2-CD1 4.2Å; Y121-L130 HydrophobicContact CE1-CB 4.15Å; Y121-L130 HydrophobicContact CE1-CD1 3.85Å; Y121-L130 HydrophobicContact CE1-CD2 4.39Å; Y121-L130 HydrophobicContact CE1-CG 4.33Å; Y121-L130 HydrophobicContact CE2-CD1 3.92Å; Y121-L130 HydrophobicContact CG-CD1 4.3Å |
| 122 | H | 91.3 | Very high | 88.2 | Confident | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.06 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 160.3 | -177.2 | 73.2 | 87.7 | 0 | 0 | 0 | 112.2 | L80 T84 I85 Q129 I131 | L80-H122 HydrophobicContact CD1-CB 3.98Å; L80-H122 WeakPolarHBondContact CD1-ND1 3.32Å; L80-H122 HydrophobicContact CD2-CB 4.23Å; T84-H122 CarbonylContact O-C 3.55Å; T84-H122 WeakPolarHBondContact O-CA 2.91Å; T84-H122 WeakPolarHBondContact O-CB 3.34Å; I85-H122 HydrophobicContact CG1-CB 4.35Å; H122-Q129 PolarHBondContact CD2-O 3.41Å; H122-Q129 PolarHBondContact CE1-OE1 3.26Å; H122-Q129 PolarHBondContact N-O 3.1Å; H122-Q129 PolarHBondContact O-N 3.28Å; H122-I131 WeakPolarHBondContact NE2-CD1 3.34Å; H122-I131 WeakPolarHBondContact NE2-CG1 3.43Å |
| 123 | G | 87.6 | Confident | 88.6 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | trans | 127.7 | 175.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T84 K86 | T84-G123 PolarHBondContact O-N 3.4Å; K86-G123 WeakPolarHBondContact CE-O 2.93Å; K86-G123 WeakPolarHBondContact CG-O 3.45Å | ||
| 124 | T | 79.8 | Confident | 88.7 | Confident | 120 Ų | 120 | 33.9 Ų | 33.9 | 74% | 0.736 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -109 | -18 | 177.4 | 47 | 0 | 0 | 0 | 0 | 112.6 | ||
| 125 | D | 81.5 | Confident | 88.9 | Confident | 91 Ų | 91 | 32.7 Ų | 32.7 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -77.1 | 164.9 | -177 | -53.2 | -42.6 | 0 | 0 | 0 | 111.5 | V127 L128 | D125-V127 VanDerWaalsContact C-N 3.33Å; D125-V127 PolarHBondContact O-N 2.73Å; D125-L128 WeakPolarHBondContact O-CD2 3.39Å |
| 126 | F | 83.5 | Confident | 88.8 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -59.4 | -44.7 | 175.9 | -179.9 | -100 | 0 | 0 | 0 | 111.8 | L128 A350 R353 A354 M357 Y1061 Q1062 | F126-L128 PolarHBondContact O-N 3.22Å; F126-A350 HydrophobicContact CE1-CB 3.71Å; F126-A350 HydrophobicContact CZ-CB 3.89Å; F126-A350 WeakPolarHBondContact CZ-O 3.46Å; F126-R353 HydrophobicContact CD2-CB 3.84Å; F126-R353 HydrophobicContact CE2-CB 3.55Å; F126-R353 HydrophobicContact CZ-CB 4.05Å; F126-R353 WeakPolarHBondContact O-CG 3.29Å; F126-A354 HydrophobicContact CE2-CB 4.29Å; F126-M357 HydrophobicContact CD2-SD 3.91Å; F126-M357 HydrophobicContact CE2-SD 4.46Å; F126-Y1061 VanDerWaalsContact CB-O 3.24Å; F126-Y1061 WeakPolarHBondContact CB-O 3.26Å; F126-Y1061 HydrophobicContact CD2-CD1 4.35Å; F126-Y1061 VanDerWaalsContact CE2-CB 3.46Å; F126-Y1061 AromaticContact CE2-CD1 3.98Å; F126-Y1061 HydrophobicContact CE2-CD1 3.98Å; F126-Y1061 HydrophobicContact CE2-CG 4.2Å; F126-Y1061 WeakPolarHBondContact CG-O 3.25Å; F126-Q1062 VanDerWaalsContact CD1-CA 3.5Å; F126-Q1062 HydrophobicContact CD1-CB 3.72Å; F126-Q1062 HydrophobicContact CE1-CB 4.04Å |
| 127 | V | 83 | Confident | 88.8 | Confident | 68 Ų | 68 | 35.3 Ų | 35.3 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -86.5 | 108.8 | 172.3 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | D125 T338 | D125-V127 VanDerWaalsContact C-N 3.33Å; D125-V127 PolarHBondContact O-N 2.73Å; V127-T338 HydrophobicContact CG2-CG2 4.2Å; V127-T338 WeakPolarHBondContact CG2-O 3.08Å |
| 128 | L | 84.4 | Confident | 88.8 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | trans | -75.4 | 147.3 | 179.8 | -60.7 | 176.7 | 0 | 0 | 0 | 111.8 | K86 Y121 D125 F126 | K86-L128 HydrophobicContact CB-CD1 3.72Å; K86-L128 HydrophobicContact CB-CD2 4.25Å; K86-L128 HydrophobicContact CG-CD1 4.16Å; K86-L128 HydrophobicContact CG-CD2 3.75Å; Y121-L128 HydrophobicContact CD1-CB 4.37Å; D125-L128 WeakPolarHBondContact O-CD2 3.39Å; F126-L128 PolarHBondContact O-N 3.22Å | ||
| 129 | Q | 86.5 | Confident | 88.7 | Confident | 121 Ų | 121 | 45.1 Ų | 45.1 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.6 | 169.6 | -64.3 | -175.4 | -7.9 | 0 | 0 | 109.4 | Y121 H122 | Y121-Q129 CarbonylContact C-O 3.54Å; Y121-Q129 WeakPolarHBondContact CA-O 3.43Å; H122-Q129 PolarHBondContact CD2-O 3.41Å; H122-Q129 PolarHBondContact CE1-OE1 3.26Å; H122-Q129 PolarHBondContact N-O 3.1Å; H122-Q129 PolarHBondContact O-N 3.28Å |
| 130 | L | 87.2 | Confident | 88.8 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.1 | 178.2 | 171.1 | 64.3 | 0 | 0 | 0 | 110.1 | L41 W104 L119 Y121 V132 | L41-L130 HydrophobicContact CD1-CD2 4.33Å; W104-L130 HydrophobicContact CH2-CD1 4.39Å; W104-L130 HydrophobicContact CH2-CD2 3.45Å; W104-L130 VanDerWaalsContact CH2-CD2 3.45Å; W104-L130 HydrophobicContact CZ2-CD2 4.17Å; W104-L130 HydrophobicContact CZ3-CD2 4.28Å; L119-L130 HydrophobicContact CB-CD1 4.08Å; L119-L130 HydrophobicContact CD2-CD1 4.43Å; Y121-L130 HydrophobicContact CD1-CB 4.22Å; Y121-L130 HydrophobicContact CD1-CD1 4.12Å; Y121-L130 HydrophobicContact CD2-CD1 4.2Å; Y121-L130 HydrophobicContact CE1-CB 4.15Å; Y121-L130 HydrophobicContact CE1-CD1 3.85Å; Y121-L130 HydrophobicContact CE1-CD2 4.39Å; Y121-L130 HydrophobicContact CE1-CG 4.33Å; Y121-L130 HydrophobicContact CE2-CD1 3.92Å; Y121-L130 HydrophobicContact CG-CD1 4.3Å; L130-V132 HydrophobicContact CD1-CG2 4.34Å; L130-V132 HydrophobicContact CD2-CG2 3.96Å; L130-V132 HydrophobicContact CG-CG2 3.94Å |
| 131 | I | 88.9 | Confident | 88.9 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.1 | 165.6 | -57 | -178.5 | 0 | 0 | 0 | 108.4 | R38 F63 F78 L80 I120 H122 V133 | R38-I131 HydrophobicContact CG-CG2 4.11Å; F63-I131 HydrophobicContact CZ-CG2 4.08Å; F78-I131 HydrophobicContact CE1-CD1 3.67Å; F78-I131 HydrophobicContact CZ-CD1 3.94Å; L80-I131 HydrophobicContact CD2-CD1 4.01Å; I120-I131 HydrophobicContact CB-CB 4.33Å; I120-I131 PolarHBondContact N-O 3.12Å; I120-I131 PolarHBondContact O-N 3.15Å; H122-I131 WeakPolarHBondContact NE2-CD1 3.34Å; H122-I131 WeakPolarHBondContact NE2-CG1 3.43Å; I131-V133 HydrophobicContact CG2-CG2 3.69Å |
| 132 | V | 89.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.7 | 173.2 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | V39 L41 W104 M109 V117 L119 L130 | V39-V132 HydrophobicContact CB-CB 4.21Å; V39-V132 HydrophobicContact CB-CG1 4.18Å; V39-V132 HydrophobicContact CG2-CG1 4.44Å; V39-V132 PolarHBondContact N-O 3.08Å; L41-V132 HydrophobicContact CD1-CG2 4.23Å; W104-V132 HydrophobicContact CZ3-CG2 4.32Å; M109-V132 HydrophobicContact CE-CG1 4.07Å; M109-V132 HydrophobicContact SD-CG1 4.28Å; V117-V132 HydrophobicContact CG1-CG1 3.69Å; L119-V132 HydrophobicContact CD2-CB 4.39Å; L119-V132 HydrophobicContact CD2-CG1 4.03Å; L119-V132 HydrophobicContact CD2-CG2 3.97Å; L130-V132 HydrophobicContact CD1-CG2 4.34Å; L130-V132 HydrophobicContact CD2-CG2 3.96Å; L130-V132 HydrophobicContact CG-CG2 3.94Å |
| 133 | V | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.1 | -177.8 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | A36 V37 L52 F63 V117 L118 I131 | A36-V133 HydrophobicContact CB-CG1 3.66Å; V37-V133 CarbonylContact O-C 3.53Å; V37-V133 WeakPolarHBondContact O-CA 3.22Å; L52-V133 HydrophobicContact CD2-CG1 4.32Å; F63-V133 HydrophobicContact CE1-CG1 4.23Å; F63-V133 HydrophobicContact CE1-CG2 3.86Å; F63-V133 HydrophobicContact CZ-CG2 3.65Å; V117-V133 CarbonylContact C-O 3.38Å; V117-V133 WeakPolarHBondContact CA-O 3.23Å; L118-V133 HydrophobicContact CB-CB 4.27Å; L118-V133 PolarHBondContact N-O 2.82Å; L118-V133 PolarHBondContact O-N 2.89Å; I131-V133 HydrophobicContact CG2-CG2 3.69Å |
| 134 | I | 91.1 | Very high | 89.6 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.5 | 173.2 | -55.3 | 165.1 | 0 | 0 | 0 | 108.1 | A36 V37 V39 F112 V117 | A36-I134 CarbonylContact C-O 3.51Å; A36-I134 VanDerWaalsContact CA-O 3.25Å; A36-I134 WeakPolarHBondContact CA-O 3.37Å; V37-I134 PolarHBondContact N-O 3.18Å; V37-I134 PolarHBondContact O-N 2.91Å; V39-I134 HydrophobicContact CG2-CD1 3.33Å; V39-I134 HydrophobicContact CG2-CG1 3.78Å; F112-I134 HydrophobicContact CD1-CD1 3.55Å; F112-I134 HydrophobicContact CD2-CD1 3.69Å; F112-I134 HydrophobicContact CE1-CD1 3.42Å; F112-I134 VanDerWaalsContact CE1-CD1 3.42Å; F112-I134 HydrophobicContact CE2-CD1 3.55Å; F112-I134 HydrophobicContact CG-CD1 3.68Å; F112-I134 HydrophobicContact CG-CG1 4.42Å; F112-I134 HydrophobicContact CZ-CD1 3.4Å; F112-I134 VanDerWaalsContact CZ-CD1 3.4Å; V117-I134 HydrophobicContact CG2-CG1 4.28Å |
| 135 | L | 93.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 159.4 | 177.4 | -70 | 157.3 | 0 | 0 | 0 | 110.6 | H34 A36 L52 K116 L118 A140 C141 W144 | H34-L135 HydrophobicContact CB-CD2 3.92Å; A36-L135 HydrophobicContact CB-CD2 3.97Å; L52-L135 HydrophobicContact CD2-CD2 4.36Å; K116-L135 WeakPolarHBondContact CB-O 3.33Å; K116-L135 PolarHBondContact O-N 3.29Å; L118-L135 HydrophobicContact CB-CD1 4.18Å; L118-L135 HydrophobicContact CD2-CD1 4.39Å; L135-A140 HydrophobicContact CB-CB 4.27Å; L135-A140 HydrophobicContact CD1-CB 4.49Å; L135-A140 HydrophobicContact CD2-CB 4.38Å; L135-C141 HydrophobicContact CD1-CB 3.79Å; L135-W144 HydrophobicContact CD1-CB 4.45Å; L135-W144 HydrophobicContact CD1-CG 4.31Å |
| 136 | E | 90.6 | Very high | 90.9 | Very high | 113 Ų | 113 | 36.3 Ų | 36.3 | 53% | 0.528 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -70.7 | -32.5 | -178.5 | -71.9 | -175.8 | 155.6 | 0 | 0 | 113.1 | R35 K116 | R35-E136 HydrophobicContact CB-CG 3.88Å; R35-E136 WeakPolarHBondContact CB-OE1 3.49Å; R35-E136 VanDerWaalsContact CD-CD 3.47Å; R35-E136 WeakPolarHBondContact CD-OE1 3.45Å; R35-E136 WeakPolarHBondContact CD-OE2 3.3Å; K116-E136 PolarHBondContact NZ-O 3.3Å |
| 137 | T | 93.1 | Very high | 91.3 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 39% | 0.387 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -130.8 | 153.6 | -175.1 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | D139 A140 C141 | T137-D139 VanDerWaalsContact C-N 3.32Å; T137-A140 PolarHBondContact O-N 3.44Å; T137-A140 WeakPolarHBondContact OG1-CB 3.33Å; T137-A140 PolarHBondContact OG1-N 3.23Å; T137-C141 PolarHBondContact O-N 2.89Å |
| 138 | Y | 93.1 | Very high | 91.9 | Very high | 104 Ų | 104 | 32.3 Ų | 32.3 | 41% | 0.408 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 171 | 159.9 | -105.1 | 0 | 0 | 0 | 111.1 | N115 A140 C141 S142 | N115-Y138 HydrophobicContact CB-CD2 3.83Å; Y138-A140 VanDerWaalsContact C-N 3.29Å; Y138-A140 PolarHBondContact O-N 2.95Å; Y138-C141 CarbonylContact O-C 3.58Å; Y138-C141 WeakPolarHBondContact O-CA 3.21Å; Y138-C141 WeakPolarHBondContact O-CB 3.33Å; Y138-C141 PolarHBondContact O-N 2.69Å; Y138-S142 PolarHBondContact O-N 2.99Å |
| 139 | D | 92.8 | Very high | 92.3 | Very high | 102 Ų | 102 | 32.2 Ų | 32.2 | 55% | 0.545 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.9 | -41.7 | -179.2 | -59.6 | -41.5 | 0 | 0 | 0 | 111.9 | T137 C141 S142 Q143 | T137-D139 VanDerWaalsContact C-N 3.32Å; D139-C141 VanDerWaalsContact C-N 3.35Å; D139-C141 PolarHBondContact O-N 3.05Å; D139-S142 PolarHBondContact O-N 3.23Å; D139-Q143 WeakPolarHBondContact O-CB 3.37Å; D139-Q143 WeakPolarHBondContact O-CG 3.14Å; D139-Q143 PolarHBondContact O-N 3.25Å |
| 140 | A | 94.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | H34 L135 T137 Y138 S142 Q143 W144 | H34-A140 HydrophobicContact CB-CB 4.37Å; H34-A140 VanDerWaalsContact CD2-CB 3.43Å; H34-A140 WeakPolarHBondContact CD2-CB 3.46Å; L135-A140 HydrophobicContact CB-CB 4.27Å; L135-A140 HydrophobicContact CD1-CB 4.49Å; L135-A140 HydrophobicContact CD2-CB 4.38Å; T137-A140 PolarHBondContact O-N 3.44Å; T137-A140 WeakPolarHBondContact OG1-CB 3.33Å; T137-A140 PolarHBondContact OG1-N 3.23Å; Y138-A140 VanDerWaalsContact C-N 3.29Å; Y138-A140 PolarHBondContact O-N 2.95Å; A140-S142 PolarHBondContact O-N 3.28Å; A140-Q143 PolarHBondContact O-N 3.15Å; A140-W144 PolarHBondContact O-N 3.2Å |
| 141 | C | 95.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 177.7 | -170 | 0 | 0 | 0 | 0 | 111.8 | N115 L135 T137 Y138 D139 Q143 W144 V145 | N115-C141 WeakPolarHBondContact O-CB 3.15Å; L135-C141 HydrophobicContact CD1-CB 3.79Å; T137-C141 PolarHBondContact O-N 2.89Å; Y138-C141 CarbonylContact O-C 3.58Å; Y138-C141 WeakPolarHBondContact O-CA 3.21Å; Y138-C141 WeakPolarHBondContact O-CB 3.33Å; Y138-C141 PolarHBondContact O-N 2.69Å; D139-C141 VanDerWaalsContact C-N 3.35Å; D139-C141 PolarHBondContact O-N 3.05Å; C141-Q143 PolarHBondContact O-N 3Å; C141-W144 PolarHBondContact O-N 3.46Å; C141-V145 WeakPolarHBondContact O-CG2 3.41Å; C141-V145 PolarHBondContact O-N 2.98Å |
| 142 | S | 93.6 | Very high | 92.6 | Very high | 20 Ų | 20 | 30 Ų | 30 | 14% | 0.14 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 177 | -172 | 0 | 0 | 0 | 0 | 112 | Y138 D139 A140 W144 V145 C146 | Y138-S142 PolarHBondContact O-N 2.99Å; D139-S142 PolarHBondContact O-N 3.23Å; A140-S142 PolarHBondContact O-N 3.28Å; S142-W144 VanDerWaalsContact C-N 3.35Å; S142-W144 PolarHBondContact O-N 2.49Å; S142-V145 PolarHBondContact O-N 2.85Å; S142-C146 VanDerWaalsContact O-CB 3.28Å; S142-C146 WeakPolarHBondContact O-CB 3.12Å; S142-C146 PolarHBondContact O-N 3.21Å |
| 143 | Q | 94.1 | Very high | 92.3 | Very high | 39 Ų | 39 | 36.3 Ų | 36.3 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.4 | -73.8 | 170.3 | -9.5 | 0 | 0 | 112.3 | H34 D139 A140 C141 G147 | H34-Q143 PolarHBondContact CE1-OE1 3.01Å; H34-Q143 PolarHBondContact NE2-OE1 3.25Å; D139-Q143 WeakPolarHBondContact O-CB 3.37Å; D139-Q143 WeakPolarHBondContact O-CG 3.14Å; D139-Q143 PolarHBondContact O-N 3.25Å; A140-Q143 PolarHBondContact O-N 3.15Å; C141-Q143 PolarHBondContact O-N 3Å; Q143-G147 WeakPolarHBondContact O-CA 3.41Å; Q143-G147 PolarHBondContact O-N 2.83Å |
| 144 | W | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -42.9 | 176.9 | -83 | 104.7 | 0 | 0 | 0 | 112.5 | M30 H34 L52 L54 V61 L118 L135 A140 C141 S142 L148 | M30-W144 HydrophobicContact CB-CH2 4.06Å; M30-W144 HydrophobicContact CB-CZ2 3.98Å; M30-W144 HydrophobicContact CB-CZ3 4.44Å; M30-W144 HydrophobicContact CE-CD2 4.19Å; M30-W144 HydrophobicContact CE-CE3 3.48Å; M30-W144 VanDerWaalsContact CE-CE3 3.48Å; M30-W144 HydrophobicContact CE-CH2 4.26Å; M30-W144 HydrophobicContact CE-CZ3 3.53Å; M30-W144 HydrophobicContact CG-CD2 3.92Å; M30-W144 HydrophobicContact CG-CE3 4.16Å; M30-W144 HydrophobicContact CG-CG 4.39Å; M30-W144 HydrophobicContact CG-CH2 4.34Å; M30-W144 HydrophobicContact CG-CZ2 4.13Å; M30-W144 HydrophobicContact CG-CZ3 4.37Å; M30-W144 HydrophobicContact SD-CE3 4.47Å; H34-W144 AromaticContact CG-NE1 3.93Å; H34-W144 AromaticContact ND1-NE1 3.3Å; H34-W144 PolarHBondContact ND1-NE1 2.96Å; L52-W144 HydrophobicContact CB-CZ2 4.1Å; L52-W144 HydrophobicContact CD2-CD2 3.62Å; L52-W144 VanDerWaalsContact CD2-CE2 3.43Å; L52-W144 HydrophobicContact CD2-CE3 3.94Å; L52-W144 HydrophobicContact CD2-CG 4.19Å; L52-W144 HydrophobicContact CD2-CH2 4.01Å; L52-W144 HydrophobicContact CD2-CZ2 3.68Å; L52-W144 HydrophobicContact CD2-CZ3 4.12Å; L52-W144 HydrophobicContact CG-CD2 4.36Å; L52-W144 HydrophobicContact CG-CE3 4.5Å; L52-W144 HydrophobicContact CG-CH2 3.68Å; L52-W144 HydrophobicContact CG-CZ2 3.48Å; L52-W144 VanDerWaalsContact CG-CZ2 3.48Å; L52-W144 HydrophobicContact CG-CZ3 4.18Å; L52-W144 WeakPolarHBondContact O-CZ2 3.48Å; L54-W144 HydrophobicContact CB-CH2 4.16Å; V61-W144 HydrophobicContact CG1-CH2 4.12Å; V61-W144 HydrophobicContact CG1-CZ3 3.84Å; V61-W144 HydrophobicContact CG2-CZ3 4.06Å; L118-W144 HydrophobicContact CD1-CB 4.24Å; L118-W144 HydrophobicContact CD2-CB 3.74Å; L118-W144 HydrophobicContact CD2-CG 4.19Å; L135-W144 HydrophobicContact CD1-CB 4.45Å; L135-W144 HydrophobicContact CD1-CG 4.31Å; A140-W144 PolarHBondContact O-N 3.2Å; C141-W144 PolarHBondContact O-N 3.46Å; S142-W144 VanDerWaalsContact C-N 3.35Å; S142-W144 PolarHBondContact O-N 2.49Å; W144-L148 HydrophobicContact CE3-CD1 3.91Å; W144-L148 HydrophobicContact CE3-CD2 4.23Å; W144-L148 HydrophobicContact CE3-CG 3.94Å; W144-L148 HydrophobicContact CZ3-CD1 4.49Å; W144-L148 HydrophobicContact CZ3-CD2 4.21Å; W144-L148 HydrophobicContact CZ3-CG 4.42Å; W144-L148 VanDerWaalsContact O-CB 3.24Å; W144-L148 WeakPolarHBondContact O-CB 3.41Å; W144-L148 VanDerWaalsContact O-CG 3.27Å; W144-L148 WeakPolarHBondContact O-CG 3.39Å; W144-L148 PolarHBondContact O-N 2.99Å |
| 145 | V | 94.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -51.8 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | V88 L118 C141 S142 N149 | V88-V145 HydrophobicContact CG1-CG2 4.42Å; L118-V145 HydrophobicContact CD1-CG2 3.48Å; L118-V145 VanDerWaalsContact CD1-CG2 3.48Å; C141-V145 WeakPolarHBondContact O-CG2 3.41Å; C141-V145 PolarHBondContact O-N 2.98Å; S142-V145 PolarHBondContact O-N 2.85Å; V145-N149 VanDerWaalsContact O-CB 3.3Å; V145-N149 WeakPolarHBondContact O-CB 3.44Å; V145-N149 PolarHBondContact O-N 2.9Å; V145-N149 VanDerWaalsContact O-N 3.12Å; V145-N149 PolarHBondContact O-ND2 3.1Å |
| 146 | C | 92.3 | Very high | 90.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -53.6 | 179.8 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | S142 N149 V150 | S142-C146 VanDerWaalsContact O-CB 3.28Å; S142-C146 WeakPolarHBondContact O-CB 3.12Å; S142-C146 PolarHBondContact O-N 3.21Å; C146-N149 PolarHBondContact O-N 3.48Å; C146-V150 WeakPolarHBondContact O-CG2 3.43Å; C146-V150 PolarHBondContact O-N 2.91Å |
| 147 | G | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q143 N149 V150 L151 | Q143-G147 WeakPolarHBondContact O-CA 3.41Å; Q143-G147 PolarHBondContact O-N 2.83Å; G147-N149 PolarHBondContact O-N 2.84Å; G147-V150 PolarHBondContact O-N 3.18Å; G147-L151 WeakPolarHBondContact O-CB 3.37Å; G147-L151 WeakPolarHBondContact O-CG 3.45Å; G147-L151 PolarHBondContact O-N 3.18Å |
| 148 | L | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 177 | -68.5 | 178.5 | 0 | 0 | 0 | 112.5 | M30 V61 V82 I85 V88 I120 W144 V150 L151 R152 | M30-L148 HydrophobicContact CE-CD2 3.84Å; M30-L148 HydrophobicContact CE-CG 3.96Å; V61-L148 HydrophobicContact CG2-CD2 3.64Å; V82-L148 HydrophobicContact CG2-CD2 4.17Å; I85-L148 HydrophobicContact CD1-CD1 4.33Å; I85-L148 HydrophobicContact CD1-CD2 4.13Å; V88-L148 HydrophobicContact CB-CB 4.43Å; V88-L148 HydrophobicContact CG1-CB 4.23Å; V88-L148 HydrophobicContact CG1-CD1 4.07Å; V88-L148 HydrophobicContact CG2-CB 3.91Å; V88-L148 HydrophobicContact CG2-CD1 4.12Å; I120-L148 HydrophobicContact CD1-CD1 4.03Å; I120-L148 HydrophobicContact CG1-CD1 4.31Å; W144-L148 HydrophobicContact CE3-CD1 3.91Å; W144-L148 HydrophobicContact CE3-CD2 4.23Å; W144-L148 HydrophobicContact CE3-CG 3.94Å; W144-L148 HydrophobicContact CZ3-CD1 4.49Å; W144-L148 HydrophobicContact CZ3-CD2 4.21Å; W144-L148 HydrophobicContact CZ3-CG 4.42Å; W144-L148 VanDerWaalsContact O-CB 3.24Å; W144-L148 WeakPolarHBondContact O-CB 3.41Å; W144-L148 VanDerWaalsContact O-CG 3.27Å; W144-L148 WeakPolarHBondContact O-CG 3.39Å; W144-L148 PolarHBondContact O-N 2.99Å; L148-V150 VanDerWaalsContact C-N 3.34Å; L148-V150 PolarHBondContact O-N 3.42Å; L148-L151 PolarHBondContact O-N 3.45Å; L148-R152 VanDerWaalsContact O-CB 3.24Å; L148-R152 WeakPolarHBondContact O-CB 3.49Å; L148-R152 PolarHBondContact O-N 3.42Å |
| 149 | N | 92.3 | Very high | 89.1 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.2 | -86.9 | -50.3 | 0 | 0 | 0 | 112.2 | V88 V145 C146 G147 R152 K153 | V88-N149 PolarHBondContact O-ND2 3.31Å; V145-N149 VanDerWaalsContact O-CB 3.3Å; V145-N149 WeakPolarHBondContact O-CB 3.44Å; V145-N149 PolarHBondContact O-N 2.9Å; V145-N149 VanDerWaalsContact O-N 3.12Å; V145-N149 PolarHBondContact O-ND2 3.1Å; C146-N149 PolarHBondContact O-N 3.48Å; G147-N149 PolarHBondContact O-N 2.84Å; N149-R152 PolarHBondContact OD1-NH2 3.02Å; N149-K153 WeakPolarHBondContact O-CG 3.46Å; N149-K153 PolarHBondContact O-N 3.18Å; N149-K153 VanDerWaalsContact O-N 3.12Å |
| 150 | V | 89.2 | Confident | 88.9 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 26% | 0.255 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.1 | -47.5 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | L23 C146 G147 L148 R152 K153 E154 | L23-V150 HydrophobicContact CD1-CB 3.79Å; L23-V150 HydrophobicContact CD1-CG1 3.72Å; L23-V150 HydrophobicContact CD1-CG2 3.81Å; L23-V150 HydrophobicContact CD2-CG1 3.65Å; L23-V150 HydrophobicContact CG-CG1 4.3Å; C146-V150 WeakPolarHBondContact O-CG2 3.43Å; C146-V150 PolarHBondContact O-N 2.91Å; G147-V150 PolarHBondContact O-N 3.18Å; L148-V150 VanDerWaalsContact C-N 3.34Å; L148-V150 PolarHBondContact O-N 3.42Å; V150-R152 VanDerWaalsContact C-N 3.26Å; V150-R152 PolarHBondContact O-N 3.44Å; V150-K153 PolarHBondContact O-N 2.96Å; V150-K153 VanDerWaalsContact O-N 3.12Å; V150-E154 HydrophobicContact CG1-CG 4.36Å; V150-E154 WeakPolarHBondContact O-CG 3.17Å; V150-E154 PolarHBondContact O-N 3.35Å |
| 151 | L | 91.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -34.8 | 178.3 | -67.4 | -179.1 | 0 | 0 | 0 | 112.9 | I27 M30 L54 V82 G147 L148 G155 | I27-L151 HydrophobicContact CD1-CD1 3.86Å; I27-L151 HydrophobicContact CD1-CD2 3.87Å; I27-L151 HydrophobicContact CD1-CG 3.74Å; M30-L151 HydrophobicContact CE-CD1 4.29Å; L54-L151 HydrophobicContact CD1-CD1 3.8Å; L54-L151 HydrophobicContact CD2-CD1 3.71Å; L54-L151 HydrophobicContact CG-CD1 4.43Å; V82-L151 HydrophobicContact CG1-CB 3.83Å; G147-L151 WeakPolarHBondContact O-CB 3.37Å; G147-L151 WeakPolarHBondContact O-CG 3.45Å; G147-L151 PolarHBondContact O-N 3.18Å; L148-L151 PolarHBondContact O-N 3.45Å; L151-G155 PolarHBondContact O-N 3.01Å; L151-G155 VanDerWaalsContact O-N 3.07Å |
| 152 | R | 88.7 | Confident | 88.2 | Confident | 72 Ų | 72 | 40.5 Ų | 40.5 | 27% | 0.272 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 173.5 | -179.3 | 178.1 | 64.3 | 121.3 | -5.3 | 111.1 | I85 K86 D87 L148 N149 V150 G155 | I85-R152 WeakPolarHBondContact O-CD 3.48Å; K86-R152 PolarHBondContact O-NH1 2.87Å; D87-R152 IonicContact OD1-NH2 2.65Å; L148-R152 VanDerWaalsContact O-CB 3.24Å; L148-R152 WeakPolarHBondContact O-CB 3.49Å; L148-R152 PolarHBondContact O-N 3.42Å; N149-R152 PolarHBondContact OD1-NH2 3.02Å; V150-R152 VanDerWaalsContact C-N 3.26Å; V150-R152 PolarHBondContact O-N 3.44Å; R152-G155 WeakPolarHBondContact O-CA 3.33Å; R152-G155 PolarHBondContact O-N 3.04Å; R152-G155 VanDerWaalsContact O-N 3.11Å |
| 153 | K | 84.6 | Confident | 88 | Confident | 135 Ų | 135 | 42.3 Ų | 42.3 | 59% | 0.587 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.8 | -43.3 | 178.7 | -72.8 | 177.2 | -176.9 | -177.5 | 0 | 112.1 | N149 V150 G155 L156 | N149-K153 WeakPolarHBondContact O-CG 3.46Å; N149-K153 PolarHBondContact O-N 3.18Å; N149-K153 VanDerWaalsContact O-N 3.12Å; V150-K153 PolarHBondContact O-N 2.96Å; V150-K153 VanDerWaalsContact O-N 3.12Å; K153-G155 PolarHBondContact O-N 3.15Å; K153-L156 WeakPolarHBondContact O-CB 3.45Å; K153-L156 PolarHBondContact O-N 3.14Å |
| 154 | E | 83 | Confident | 87.6 | Confident | 84 Ų | 84 | 42.5 Ų | 42.5 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.2 | -37.4 | 171.2 | -75.7 | -178.3 | -172.3 | 0 | 0 | 111.6 | R59 V150 L156 N157 V158 | R59-E154 IonicContact CZ-OE2 3.38Å; R59-E154 IonicContact NH2-OE2 3.9Å; R59-E154 PolarHBondContact NH2-OE2 3.25Å; V150-E154 HydrophobicContact CG1-CG 4.36Å; V150-E154 WeakPolarHBondContact O-CG 3.17Å; V150-E154 PolarHBondContact O-N 3.35Å; E154-L156 PolarHBondContact O-N 3.05Å; E154-N157 PolarHBondContact O-N 3.12Å; E154-V158 WeakPolarHBondContact O-CG2 3.25Å |
| 155 | G | 77.7 | Confident | 87.3 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 32% | 0.32 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -57.2 | -23.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L151 R152 K153 | L151-G155 PolarHBondContact O-N 3.01Å; L151-G155 VanDerWaalsContact O-N 3.07Å; R152-G155 WeakPolarHBondContact O-CA 3.33Å; R152-G155 PolarHBondContact O-N 3.04Å; R152-G155 VanDerWaalsContact O-N 3.11Å; K153-G155 PolarHBondContact O-N 3.15Å |
| 156 | L | 75.3 | Confident | 87.2 | Confident | 139 Ų | 139 | 45.7 Ų | 45.7 | 73% | 0.728 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -73.1 | -34.3 | -175.2 | -63.4 | 173.7 | 0 | 0 | 0 | 113 | K153 E154 | K153-L156 WeakPolarHBondContact O-CB 3.45Å; K153-L156 PolarHBondContact O-N 3.14Å; E154-L156 PolarHBondContact O-N 3.05Å |
| 157 | N | 74.9 | Confident | 87.1 | Confident | 146 Ų | 146 | 48.9 Ų | 48.9 | 78% | 0.781 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -115.2 | 29.6 | -174.2 | -63.7 | -29.8 | 0 | 0 | 0 | 112.1 | E154 P159 | E154-N157 PolarHBondContact O-N 3.12Å; N157-P159 WeakPolarHBondContact O-CD 3.41Å |
| 158 | V | 85.7 | Confident | 87.1 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | trans | -76.8 | 125.8 | -179.7 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | E154 L162 I163 R166 | E154-V158 WeakPolarHBondContact O-CG2 3.25Å; V158-L162 HydrophobicContact CG1-CB 3.69Å; V158-L162 HydrophobicContact CG1-CD2 3.89Å; V158-L162 HydrophobicContact CG1-CG 3.88Å; V158-I163 HydrophobicContact CB-CG1 4.2Å; V158-I163 HydrophobicContact CG1-CG1 3.86Å; V158-R166 VanDerWaalsContact CG2-NH1 3.26Å | ||
| 159 | P | 87.4 | Confident | 87 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.104 | 26% | 0.256 | C | S | . | . | trans | -57.9 | 142.4 | 173.8 | -24.1 | 33.8 | 0 | 0 | 0 | 111.6 | N157 P161 L162 I163 N276 Y277 R279 E305 | N157-P159 WeakPolarHBondContact O-CD 3.41Å; P159-P161 VanDerWaalsContact C-N 3.33Å; P159-L162 WeakPolarHBondContact O-CB 3.37Å; P159-L162 PolarHBondContact O-N 2.81Å; P159-I163 PolarHBondContact O-N 3.49Å; P159-N276 WeakPolarHBondContact CG-O 3.25Å; P159-Y277 VanDerWaalsContact CB-O 3.27Å; P159-Y277 WeakPolarHBondContact CB-O 3.48Å; P159-R279 HydrophobicContact CG-CB 4.41Å; P159-E305 WeakPolarHBondContact CA-OE1 3.48Å | ||
| 160 | H | 88.3 | Confident | 87 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.8 | -42.6 | -177.3 | -171.6 | 95 | 0 | 0 | 0 | 114.6 | L162 I163 I164 Y277 E305 | H160-L162 PolarHBondContact O-N 3.09Å; H160-I163 WeakPolarHBondContact O-CA 3.18Å; H160-I163 VanDerWaalsContact O-CB 3.31Å; H160-I163 WeakPolarHBondContact O-CB 3.39Å; H160-I163 PolarHBondContact O-N 2.87Å; H160-I164 PolarHBondContact O-N 3.22Å; H160-I164 VanDerWaalsContact O-N 3.1Å; H160-Y277 HydrophobicContact CB-CE2 4.24Å; H160-E305 WeakPolarHBondContact CB-OE2 3.33Å; H160-E305 PolarHBondContact N-OE1 2.89Å |
| 161 | P | 87.4 | Confident | 87.1 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.039 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.8 | -33.6 | 178.9 | -24.7 | 35.2 | 0 | 0 | 0 | 113.4 | P159 I164 D165 Y277 L281 | P159-P161 VanDerWaalsContact C-N 3.33Å; P161-I164 PolarHBondContact O-N 3.04Å; P161-D165 PolarHBondContact O-N 2.98Å; P161-Y277 HydrophobicContact CG-CD1 3.94Å; P161-Y277 HydrophobicContact CG-CD2 4.44Å; P161-Y277 HydrophobicContact CG-CE1 3.36Å; P161-Y277 HydrophobicContact CG-CE2 3.96Å; P161-Y277 HydrophobicContact CG-CG 4.43Å; P161-L281 HydrophobicContact CB-CD1 3.46Å; P161-L281 VanDerWaalsContact CB-CD1 3.46Å; P161-L281 HydrophobicContact CB-CD2 4.23Å; P161-L281 HydrophobicContact CB-CG 4.19Å; P161-L281 HydrophobicContact CG-CD1 4.27Å |
| 162 | L | 87.8 | Confident | 87.2 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 16% | 0.162 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -75.5 | -26.6 | 177.4 | -171.3 | 60.7 | 0 | 0 | 0 | 112.1 | V158 P159 H160 D165 R166 | V158-L162 HydrophobicContact CG1-CB 3.69Å; V158-L162 HydrophobicContact CG1-CD2 3.89Å; V158-L162 HydrophobicContact CG1-CG 3.88Å; P159-L162 WeakPolarHBondContact O-CB 3.37Å; P159-L162 PolarHBondContact O-N 2.81Å; H160-L162 PolarHBondContact O-N 3.09Å; L162-D165 HydrophobicContact CD1-CB 4.47Å; L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 WeakPolarHBondContact O-CD 3.4Å; L162-R166 WeakPolarHBondContact O-CG 3.38Å; L162-R166 PolarHBondContact O-N 3.29Å |
| 163 | I | 88.5 | Confident | 87.2 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 30% | 0.297 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 169.1 | -57.4 | 178.9 | 0 | 0 | 0 | 109.6 | V158 P159 H160 R166 W167 | V158-I163 HydrophobicContact CB-CG1 4.2Å; V158-I163 HydrophobicContact CG1-CG1 3.86Å; P159-I163 PolarHBondContact O-N 3.49Å; H160-I163 WeakPolarHBondContact O-CA 3.18Å; H160-I163 VanDerWaalsContact O-CB 3.31Å; H160-I163 WeakPolarHBondContact O-CB 3.39Å; H160-I163 PolarHBondContact O-N 2.87Å; I163-R166 PolarHBondContact O-N 2.91Å; I163-W167 WeakPolarHBondContact O-CB 3.34Å; I163-W167 PolarHBondContact O-N 3.46Å |
| 164 | I | 87.6 | Confident | 87.3 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 177.9 | -59.2 | -58.8 | 0 | 0 | 0 | 111.2 | H160 P161 R166 W167 L168 | H160-I164 PolarHBondContact O-N 3.22Å; H160-I164 VanDerWaalsContact O-N 3.1Å; P161-I164 PolarHBondContact O-N 3.04Å; I164-R166 PolarHBondContact O-N 3.19Å; I164-W167 PolarHBondContact O-N 3.26Å; I164-L168 HydrophobicContact CG2-CD1 3.89Å; I164-L168 HydrophobicContact CG2-CG 4.34Å; I164-L168 WeakPolarHBondContact O-CG 3.08Å; I164-L168 PolarHBondContact O-N 3.26Å |
| 165 | D | 89.5 | Confident | 87.5 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 175.9 | 172.8 | 79.9 | 0 | 0 | 0 | 111.8 | P161 L162 W167 L168 R169 L281 | P161-D165 PolarHBondContact O-N 2.98Å; L162-D165 HydrophobicContact CD1-CB 4.47Å; D165-W167 VanDerWaalsContact C-N 3.32Å; D165-W167 PolarHBondContact O-N 2.75Å; D165-L168 PolarHBondContact O-N 2.74Å; D165-R169 VanDerWaalsContact CG-NE 3.28Å; D165-R169 WeakPolarHBondContact O-CB 3.38Å; D165-R169 VanDerWaalsContact O-CG 3.26Å; D165-R169 WeakPolarHBondContact O-CG 3.49Å; D165-R169 PolarHBondContact O-N 2.95Å; D165-R169 IonicContact OD1-CZ 3.64Å; D165-R169 IonicContact OD1-NE 2.74Å; D165-R169 PolarHBondContact OD1-NE 3.44Å; D165-R169 VanDerWaalsContact OD1-NE 3.14Å; D165-R169 IonicContact OD1-NH2 3.61Å; D165-R169 PolarHBondContact OD1-NH2 3.24Å; D165-R169 WeakPolarHBondContact OD2-CD 3.25Å; D165-R169 IonicContact OD2-CZ 2.64Å; D165-R169 IonicContact OD2-NE 3.04Å; D165-R169 PolarHBondContact OD2-NE 2.93Å; D165-R169 IonicContact OD2-NH2 3.46Å; D165-L281 HydrophobicContact CB-CD2 4.34Å |
| 166 | R | 91.4 | Very high | 88.1 | Confident | 45 Ų | 45 | 43 Ų | 43 | 17% | 0.17 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 176.8 | -73 | 167.7 | -178.5 | -179.1 | 4.2 | 112.5 | R59 V158 L162 I163 I164 R170 | R59-R166 HydrophobicContact CG-CG 4.42Å; V158-R166 VanDerWaalsContact CG2-NH1 3.26Å; L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 WeakPolarHBondContact O-CD 3.4Å; L162-R166 WeakPolarHBondContact O-CG 3.38Å; L162-R166 PolarHBondContact O-N 3.29Å; I163-R166 PolarHBondContact O-N 2.91Å; I164-R166 PolarHBondContact O-N 3.19Å; R166-R170 WeakPolarHBondContact O-CB 3.48Å; R166-R170 PolarHBondContact O-N 3.29Å |
| 167 | W | 90.6 | Very high | 88.6 | Confident | 80 Ų | 80 | 39.1 Ų | 39.1 | 30% | 0.303 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.6 | -46.6 | 175.4 | 176.8 | 90.7 | 0 | 0 | 0 | 111.2 | I163 I164 D165 R169 R170 E171 L196 | I163-W167 WeakPolarHBondContact O-CB 3.34Å; I163-W167 PolarHBondContact O-N 3.46Å; I164-W167 PolarHBondContact O-N 3.26Å; D165-W167 VanDerWaalsContact C-N 3.32Å; D165-W167 PolarHBondContact O-N 2.75Å; W167-R169 VanDerWaalsContact C-N 3.32Å; W167-R169 PolarHBondContact O-N 3.35Å; W167-R170 VanDerWaalsContact NE1-NH2 3.18Å; W167-R170 WeakPolarHBondContact O-CB 3.35Å; W167-R170 PolarHBondContact O-N 2.89Å; W167-R170 VanDerWaalsContact O-N 3.15Å; W167-E171 HydrophobicContact CD2-CG 4.07Å; W167-E171 HydrophobicContact CH2-CG 4.36Å; W167-E171 HydrophobicContact CZ2-CG 3.87Å; W167-E171 WeakPolarHBondContact O-CG 3.37Å; W167-E171 PolarHBondContact O-N 3.2Å; W167-L196 HydrophobicContact CH2-CD2 3.51Å; W167-L196 HydrophobicContact CZ2-CD2 4.4Å; W167-L196 HydrophobicContact CZ3-CD2 4.34Å |
| 168 | L | 92.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 175.5 | -73.1 | 167.6 | 0 | 0 | 0 | 111.4 | I164 D165 R170 E171 F172 F215 F218 V219 C222 | I164-L168 HydrophobicContact CG2-CD1 3.89Å; I164-L168 HydrophobicContact CG2-CG 4.34Å; I164-L168 WeakPolarHBondContact O-CG 3.08Å; I164-L168 PolarHBondContact O-N 3.26Å; D165-L168 PolarHBondContact O-N 2.74Å; L168-R170 PolarHBondContact O-N 3.5Å; L168-E171 PolarHBondContact O-N 2.96Å; L168-F172 VanDerWaalsContact O-CB 3.22Å; L168-F172 WeakPolarHBondContact O-CB 3.37Å; L168-F172 PolarHBondContact O-N 3.17Å; L168-F215 HydrophobicContact CB-CE2 4.33Å; L168-F218 HydrophobicContact CD2-CE1 4.2Å; L168-V219 HydrophobicContact CB-CG2 4.34Å; L168-V219 HydrophobicContact CD1-CG1 4.16Å; L168-V219 HydrophobicContact CD1-CG2 4.11Å; L168-C222 HydrophobicContact CD2-CB 3.71Å |
| 169 | R | 93.5 | Very high | 88.6 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 19% | 0.192 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.4 | -71.7 | 172.3 | -174.2 | -66 | -8.3 | 112.2 | L57 D165 W167 F172 F173 F215 | L57-R169 VanDerWaalsContact O-CD 3.24Å; L57-R169 WeakPolarHBondContact O-CD 3.26Å; D165-R169 VanDerWaalsContact CG-NE 3.28Å; D165-R169 WeakPolarHBondContact O-CB 3.38Å; D165-R169 VanDerWaalsContact O-CG 3.26Å; D165-R169 WeakPolarHBondContact O-CG 3.49Å; D165-R169 PolarHBondContact O-N 2.95Å; D165-R169 IonicContact OD1-CZ 3.64Å; D165-R169 IonicContact OD1-NE 2.74Å; D165-R169 PolarHBondContact OD1-NE 3.44Å; D165-R169 VanDerWaalsContact OD1-NE 3.14Å; D165-R169 IonicContact OD1-NH2 3.61Å; D165-R169 PolarHBondContact OD1-NH2 3.24Å; D165-R169 WeakPolarHBondContact OD2-CD 3.25Å; D165-R169 IonicContact OD2-CZ 2.64Å; D165-R169 IonicContact OD2-NE 3.04Å; D165-R169 PolarHBondContact OD2-NE 2.93Å; D165-R169 IonicContact OD2-NH2 3.46Å; W167-R169 VanDerWaalsContact C-N 3.32Å; W167-R169 PolarHBondContact O-N 3.35Å; R169-F172 PolarHBondContact O-N 3.49Å; R169-F173 HydrophobicContact CB-CD2 4.34Å; R169-F173 HydrophobicContact CB-CE2 3.94Å; R169-F173 WeakPolarHBondContact O-CB 3.36Å; R169-F173 WeakPolarHBondContact O-CD2 3.34Å; R169-F173 WeakPolarHBondContact O-CG 3.48Å; R169-F173 PolarHBondContact O-N 3.31Å; R169-F215 HydrophobicContact CB-CE2 4.24Å; R169-F215 HydrophobicContact CG-CD2 4.37Å; R169-F215 HydrophobicContact CG-CE1 4.2Å; R169-F215 HydrophobicContact CG-CE2 3.45Å; R169-F215 VanDerWaalsContact CG-CE2 3.45Å; R169-F215 HydrophobicContact CG-CZ 3.34Å; R169-F215 VanDerWaalsContact CZ-CE1 3.49Å |
| 170 | R | 92.1 | Very high | 88.6 | Confident | 52 Ų | 52 | 42 Ų | 42 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.9 | -51.3 | 175 | 173.3 | 178.5 | 82.8 | -175.7 | 5.7 | 111.2 | Q60 S81 R166 W167 L168 F172 F173 A174 | Q60-R170 VanDerWaalsContact NE2-CD 3.34Å; S81-R170 PolarHBondContact OG-NH1 2.89Å; R166-R170 WeakPolarHBondContact O-CB 3.48Å; R166-R170 PolarHBondContact O-N 3.29Å; W167-R170 VanDerWaalsContact NE1-NH2 3.18Å; W167-R170 WeakPolarHBondContact O-CB 3.35Å; W167-R170 PolarHBondContact O-N 2.89Å; W167-R170 VanDerWaalsContact O-N 3.15Å; L168-R170 PolarHBondContact O-N 3.5Å; R170-F172 VanDerWaalsContact C-N 3.33Å; R170-F173 PolarHBondContact O-N 2.96Å; R170-A174 WeakPolarHBondContact O-CB 3.4Å; R170-A174 PolarHBondContact O-N 3.35Å |
| 171 | E | 91.4 | Very high | 88.6 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | -178.5 | -60.6 | -56 | 133 | 0 | 0 | 111.2 | W167 L168 A174 F191 R195 F218 | W167-E171 HydrophobicContact CD2-CG 4.07Å; W167-E171 HydrophobicContact CH2-CG 4.36Å; W167-E171 HydrophobicContact CZ2-CG 3.87Å; W167-E171 WeakPolarHBondContact O-CG 3.37Å; W167-E171 PolarHBondContact O-N 3.2Å; L168-E171 PolarHBondContact O-N 2.96Å; E171-A174 WeakPolarHBondContact O-CB 3.22Å; E171-A174 PolarHBondContact O-N 3.48Å; E171-F191 HydrophobicContact CB-CE2 3.64Å; E171-F191 HydrophobicContact CB-CZ 4.08Å; E171-F191 HydrophobicContact CG-CE2 4.03Å; E171-R195 IonicContact OE1-CZ 3.27Å; E171-R195 IonicContact OE1-NH2 3.13Å; E171-R195 PolarHBondContact OE1-NH2 3.3Å; E171-R195 IonicContact OE2-CZ 3.07Å; E171-R195 IonicContact OE2-NE 2.72Å; E171-R195 PolarHBondContact OE2-NE 2.9Å; E171-R195 IonicContact OE2-NH2 2.64Å; E171-R195 PolarHBondContact OE2-NH2 3.49Å; E171-R195 VanDerWaalsContact OE2-NH2 3.08Å; E171-F218 HydrophobicContact CB-CZ 4.32Å |
| 172 | F | 93.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -54.7 | 173.5 | 177.1 | -100.1 | 0 | 0 | 0 | 111.9 | L168 R169 R170 A174 I175 A176 M181 V183 D214 F215 F218 | L168-F172 VanDerWaalsContact O-CB 3.22Å; L168-F172 WeakPolarHBondContact O-CB 3.37Å; L168-F172 PolarHBondContact O-N 3.17Å; R169-F172 PolarHBondContact O-N 3.49Å; R170-F172 VanDerWaalsContact C-N 3.33Å; F172-A174 PolarHBondContact O-N 3.31Å; F172-A174 VanDerWaalsContact O-N 3.13Å; F172-I175 PolarHBondContact O-N 2.88Å; F172-A176 HydrophobicContact CD1-CB 4.08Å; F172-A176 HydrophobicContact CD2-CB 4.42Å; F172-A176 HydrophobicContact CE1-CB 3.78Å; F172-A176 HydrophobicContact CE2-CB 4.16Å; F172-A176 HydrophobicContact CG-CB 4.39Å; F172-A176 HydrophobicContact CZ-CB 3.84Å; F172-A176 WeakPolarHBondContact O-CB 3.38Å; F172-A176 PolarHBondContact O-N 3.36Å; F172-M181 WeakPolarHBondContact CZ-O 3.48Å; F172-V183 HydrophobicContact CD2-CG2 3.68Å; F172-V183 HydrophobicContact CE2-CG2 3.58Å; F172-V183 HydrophobicContact CZ-CG2 4.49Å; F172-D214 VanDerWaalsContact CE2-C 3.5Å; F172-F215 HydrophobicContact CB-CD2 3.94Å; F172-F215 HydrophobicContact CB-CE2 4.33Å; F172-F215 HydrophobicContact CD1-CB 4.28Å; F172-F215 AromaticContact CD1-CD2 3.9Å; F172-F215 HydrophobicContact CD1-CD2 3.9Å; F172-F215 HydrophobicContact CD2-CB 4.43Å; F172-F215 HydrophobicContact CD2-CD2 4.16Å; F172-F215 HydrophobicContact CE1-CB 3.97Å; F172-F215 HydrophobicContact CE1-CD2 4.44Å; F172-F215 HydrophobicContact CE2-CB 4.11Å; F172-F215 HydrophobicContact CG-CB 4.5Å; F172-F215 AromaticContact CG-CD2 3.73Å; F172-F215 HydrophobicContact CG-CD2 3.73Å; F172-F215 HydrophobicContact CZ-CB 3.86Å; F172-F218 HydrophobicContact CB-CD1 3.91Å; F172-F218 HydrophobicContact CB-CE1 3.9Å; F172-F218 HydrophobicContact CB-CG 4.46Å; F172-F218 HydrophobicContact CB-CZ 4.44Å; F172-F218 HydrophobicContact CD2-CB 3.79Å; F172-F218 AromaticContact CD2-CD1 3.98Å; F172-F218 HydrophobicContact CD2-CD1 3.98Å; F172-F218 HydrophobicContact CD2-CD2 4.22Å; F172-F218 AromaticContact CD2-CG 3.74Å; F172-F218 HydrophobicContact CD2-CG 3.74Å; F172-F218 HydrophobicContact CE2-CB 4.18Å; F172-F218 HydrophobicContact CG-CD1 4.4Å |
| 173 | F | 89.6 | Confident | 88.8 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -23.3 | 179.2 | -64.3 | -39.4 | 0 | 0 | 0 | 113.1 | Q55 L57 R169 R170 I175 M181 | Q55-F173 HydrophobicContact CG-CD2 3.87Å; Q55-F173 HydrophobicContact CG-CE2 3.84Å; L57-F173 HydrophobicContact CB-CE2 4.01Å; L57-F173 HydrophobicContact CB-CZ 4.2Å; L57-F173 HydrophobicContact CD1-CZ 4.13Å; R169-F173 HydrophobicContact CB-CD2 4.34Å; R169-F173 HydrophobicContact CB-CE2 3.94Å; R169-F173 WeakPolarHBondContact O-CB 3.36Å; R169-F173 WeakPolarHBondContact O-CD2 3.34Å; R169-F173 WeakPolarHBondContact O-CG 3.48Å; R169-F173 PolarHBondContact O-N 3.31Å; R170-F173 PolarHBondContact O-N 2.96Å; F173-I175 VanDerWaalsContact C-N 3.31Å; F173-M181 HydrophobicContact CE1-SD 4.39Å |
| 174 | A | 86.7 | Confident | 88.7 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 41% | 0.405 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72 | -22.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R170 E171 F172 | R170-A174 WeakPolarHBondContact O-CB 3.4Å; R170-A174 PolarHBondContact O-N 3.35Å; E171-A174 WeakPolarHBondContact O-CB 3.22Å; E171-A174 PolarHBondContact O-N 3.48Å; F172-A174 PolarHBondContact O-N 3.31Å; F172-A174 VanDerWaalsContact O-N 3.13Å |
| 175 | I | 87.4 | Confident | 88.5 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -123.3 | -15.5 | -177 | 65.7 | 176.9 | 0 | 0 | 0 | 114.2 | F172 F173 V183 L187 M188 F191 F218 | F172-I175 PolarHBondContact O-N 2.88Å; F173-I175 VanDerWaalsContact C-N 3.31Å; I175-V183 HydrophobicContact CD1-CG1 3.65Å; I175-V183 HydrophobicContact CD1-CG2 4.2Å; I175-V183 HydrophobicContact CG1-CG1 3.84Å; I175-V183 HydrophobicContact CG1-CG2 3.83Å; I175-L187 HydrophobicContact CB-CD1 4.39Å; I175-L187 WeakPolarHBondContact O-CD1 3.27Å; I175-M188 HydrophobicContact CD1-SD 4.34Å; I175-F191 HydrophobicContact CD1-CB 4.01Å; I175-F191 HydrophobicContact CD1-CD2 4.31Å; I175-F191 HydrophobicContact CD1-CG 4Å; I175-F218 HydrophobicContact CD1-CE2 3.93Å |
| 176 | A | 89.6 | Confident | 88.4 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -70.2 | 148.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F172 V183 | F172-A176 HydrophobicContact CD1-CB 4.08Å; F172-A176 HydrophobicContact CD2-CB 4.42Å; F172-A176 HydrophobicContact CE1-CB 3.78Å; F172-A176 HydrophobicContact CE2-CB 4.16Å; F172-A176 HydrophobicContact CG-CB 4.39Å; F172-A176 HydrophobicContact CZ-CB 3.84Å; F172-A176 WeakPolarHBondContact O-CB 3.38Å; F172-A176 PolarHBondContact O-N 3.36Å; A176-V183 HydrophobicContact CB-CG2 3.91Å |
| 177 | N | 85.1 | Confident | 88.2 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -70.3 | 124.6 | 166 | 178.1 | -41.8 | 0 | 0 | 0 | 108.5 | V179 S180 M181 T182 | N177-V179 PolarHBondContact O-N 2.94Å; N177-V179 WeakPolarHBondContact OD1-CB 3.44Å; N177-V179 PolarHBondContact OD1-N 3.28Å; N177-S180 WeakPolarHBondContact CB-OG 3.48Å; N177-S180 PolarHBondContact OD1-N 3.17Å; N177-M181 VanDerWaalsContact O-CA 3.22Å; N177-M181 WeakPolarHBondContact O-CA 3.32Å; N177-M181 PolarHBondContact O-N 3.35Å; N177-T182 PolarHBondContact N-O 3.48Å |
| 178 | P | 77.5 | Confident | 88.1 | Confident | 56 Ų | 56 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -15.5 | -173.7 | 29.8 | -36.9 | 0 | 0 | 0 | 113.9 | W70 M181 | W70-P178 HydrophobicContact CD2-CG 3.79Å; W70-P178 HydrophobicContact CE3-CG 4.05Å; W70-P178 HydrophobicContact CG-CG 4.44Å; W70-P178 HydrophobicContact CH2-CG 3.82Å; W70-P178 VanDerWaalsContact CZ2-CD 3.46Å; W70-P178 HydrophobicContact CZ2-CG 3.54Å; W70-P178 HydrophobicContact CZ3-CG 4.06Å; P178-M181 VanDerWaalsContact O-CE 3.27Å; P178-M181 WeakPolarHBondContact O-CE 3.42Å |
| 179 | V | 83.1 | Confident | 87.9 | Confident | 121 Ų | 121 | 50 Ų | 50 | 73% | 0.733 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -52.4 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | N177 M181 | N177-V179 PolarHBondContact O-N 2.94Å; N177-V179 WeakPolarHBondContact OD1-CB 3.44Å; N177-V179 PolarHBondContact OD1-N 3.28Å; V179-M181 VanDerWaalsContact C-N 3.35Å |
| 180 | S | 87.5 | Confident | 87.7 | Confident | 62 Ų | 62 | 50 Ų | 50 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.1 | -178.3 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | N177 T182 | N177-S180 WeakPolarHBondContact CB-OG 3.48Å; N177-S180 PolarHBondContact OD1-N 3.17Å; S180-T182 WeakPolarHBondContact CB-OG1 3.39Å; S180-T182 PolarHBondContact O-N 2.98Å; S180-T182 PolarHBondContact OG-OG1 3.22Å |
| 181 | M | 89 | Confident | 87.7 | Confident | 88 Ų | 88 | 48 Ų | 48 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 44.8 | -170.9 | -66.4 | -63.2 | 178.5 | 0 | 0 | 112 | F172 F173 N177 P178 V179 | F172-M181 WeakPolarHBondContact CZ-O 3.48Å; F173-M181 HydrophobicContact CE1-SD 4.39Å; N177-M181 VanDerWaalsContact O-CA 3.22Å; N177-M181 WeakPolarHBondContact O-CA 3.32Å; N177-M181 PolarHBondContact O-N 3.35Å; P178-M181 VanDerWaalsContact O-CE 3.27Å; P178-M181 WeakPolarHBondContact O-CE 3.42Å; V179-M181 VanDerWaalsContact C-N 3.35Å |
| 182 | T | 91.3 | Very high | 87.6 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 19% | 0.19 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -137.3 | 149.5 | 178.6 | 56 | 0 | 0 | 0 | 0 | 111.5 | N177 S180 V212 I213 D214 | N177-T182 PolarHBondContact N-O 3.48Å; S180-T182 WeakPolarHBondContact CB-OG1 3.39Å; S180-T182 PolarHBondContact O-N 2.98Å; S180-T182 PolarHBondContact OG-OG1 3.22Å; T182-V212 HydrophobicContact CG2-CG1 3.41Å; T182-V212 VanDerWaalsContact CG2-CG1 3.41Å; T182-I213 CarbonylContact C-O 3.55Å; T182-I213 VanDerWaalsContact CA-O 3.28Å; T182-I213 WeakPolarHBondContact CA-O 3.35Å; T182-D214 HydrophobicContact CG2-CB 4.36Å |
| 183 | V | 88.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.5 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | F172 I175 A176 L185 L187 M188 I213 | F172-V183 HydrophobicContact CD2-CG2 3.68Å; F172-V183 HydrophobicContact CE2-CG2 3.58Å; F172-V183 HydrophobicContact CZ-CG2 4.49Å; I175-V183 HydrophobicContact CD1-CG1 3.65Å; I175-V183 HydrophobicContact CD1-CG2 4.2Å; I175-V183 HydrophobicContact CG1-CG1 3.84Å; I175-V183 HydrophobicContact CG1-CG2 3.83Å; A176-V183 HydrophobicContact CB-CG2 3.91Å; V183-L185 PolarHBondContact O-N 2.87Å; V183-L187 HydrophobicContact CG1-CB 4.17Å; V183-M188 HydrophobicContact CG1-CG 4.24Å; V183-M188 HydrophobicContact CG1-SD 3.93Å; V183-I213 HydrophobicContact CB-CB 4.27Å; V183-I213 PolarHBondContact N-O 2.7Å |
| 184 | P | 85.6 | Confident | 87.4 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132.8 | 170.1 | -21.4 | 32.6 | 0 | 0 | 0 | 111.2 | K186 L187 | P184-K186 HydrophobicContact CB-CG 4.08Å; P184-K186 PolarHBondContact O-N 3.18Å; P184-L187 HydrophobicContact CG-CD1 4.41Å; P184-L187 WeakPolarHBondContact O-CB 3.12Å; P184-L187 PolarHBondContact O-N 3.35Å |
| 185 | L | 83.9 | Confident | 87.5 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -48 | -37.5 | -178.9 | -173.9 | 68.2 | 0 | 0 | 0 | 114 | V183 L187 M188 L205 L206 T209 I213 | V183-L185 PolarHBondContact O-N 2.87Å; L185-L187 PolarHBondContact O-N 3.01Å; L185-L187 VanDerWaalsContact O-N 3.09Å; L185-M188 WeakPolarHBondContact O-CB 3.45Å; L185-M188 PolarHBondContact O-N 2.87Å; L185-L205 HydrophobicContact CD1-CD1 4.39Å; L185-L205 HydrophobicContact CD1-CD2 4.27Å; L185-L205 HydrophobicContact CD1-CG 3.98Å; L185-L206 HydrophobicContact CD2-CD2 3.49Å; L185-L206 VanDerWaalsContact CD2-CD2 3.49Å; L185-L206 HydrophobicContact CD2-CG 4.44Å; L185-T209 WeakPolarHBondContact CD1-OG1 3.32Å; L185-I213 HydrophobicContact CD1-CD1 4.07Å |
| 186 | K | 85.8 | Confident | 87.4 | Confident | 168 Ų | 168 | 60 Ų | 60 | 73% | 0.73 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.2 | -22.2 | 177.4 | 67.5 | -179.1 | -179.5 | -176.7 | 0 | 114.6 | P184 P190 | P184-K186 HydrophobicContact CB-CG 4.08Å; P184-K186 PolarHBondContact O-N 3.18Å; K186-P190 WeakPolarHBondContact O-CD 3.31Å |
| 187 | L | 88.8 | Confident | 87.2 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 29% | 0.288 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -89.5 | -17 | 177.4 | -60.1 | -174 | 0 | 0 | 0 | 113 | I175 V183 P184 L185 P190 F191 | I175-L187 HydrophobicContact CB-CD1 4.39Å; I175-L187 WeakPolarHBondContact O-CD1 3.27Å; V183-L187 HydrophobicContact CG1-CB 4.17Å; P184-L187 HydrophobicContact CG-CD1 4.41Å; P184-L187 WeakPolarHBondContact O-CB 3.12Å; P184-L187 PolarHBondContact O-N 3.35Å; L185-L187 PolarHBondContact O-N 3.01Å; L185-L187 VanDerWaalsContact O-N 3.09Å; L187-P190 WeakPolarHBondContact O-CD 3.47Å; L187-F191 WeakPolarHBondContact O-CB 3.43Å; L187-F191 PolarHBondContact O-N 3.34Å |
| 188 | M | 88.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.9 | -43 | -179.8 | -73.4 | -58.9 | -66.7 | 0 | 0 | 112.6 | I175 V183 L185 F191 I192 L205 I213 F218 A221 | I175-M188 HydrophobicContact CD1-SD 4.34Å; V183-M188 HydrophobicContact CG1-CG 4.24Å; V183-M188 HydrophobicContact CG1-SD 3.93Å; L185-M188 WeakPolarHBondContact O-CB 3.45Å; L185-M188 PolarHBondContact O-N 2.87Å; M188-F191 HydrophobicContact CE-CD1 4.28Å; M188-F191 WeakPolarHBondContact O-CB 3.48Å; M188-F191 PolarHBondContact O-N 2.87Å; M188-I192 HydrophobicContact CB-CD1 4.35Å; M188-I192 HydrophobicContact CE-CD1 4.22Å; M188-I192 HydrophobicContact CE-CG1 4.44Å; M188-I192 WeakPolarHBondContact O-CB 3.24Å; M188-I192 WeakPolarHBondContact O-CD1 3.47Å; M188-I192 VanDerWaalsContact O-CG1 3.24Å; M188-I192 WeakPolarHBondContact O-CG1 3.36Å; M188-I192 PolarHBondContact O-N 3.11Å; M188-L205 HydrophobicContact CB-CD1 3.94Å; M188-L205 HydrophobicContact CB-CD2 4.22Å; M188-I213 HydrophobicContact CG-CD1 3.35Å; M188-I213 HydrophobicContact SD-CD1 4.09Å; M188-F218 HydrophobicContact CE-CD2 3.83Å; M188-F218 HydrophobicContact CE-CE2 3.97Å; M188-F218 HydrophobicContact SD-CD2 3.68Å; M188-F218 HydrophobicContact SD-CE2 3.82Å; M188-A221 HydrophobicContact CE-CB 4.42Å |
| 189 | K | 88.1 | Confident | 87.5 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -49.8 | -178.8 | -172.7 | 175.5 | -175.8 | 177.6 | 0 | 112.4 | F191 I192 Q193 I200 S202 L205 | K189-F191 VanDerWaalsContact C-N 3.34Å; K189-F191 PolarHBondContact O-N 2.68Å; K189-I192 PolarHBondContact O-N 3.3Å; K189-Q193 WeakPolarHBondContact O-CB 3.43Å; K189-Q193 WeakPolarHBondContact O-CG 3.41Å; K189-Q193 PolarHBondContact O-N 3.12Å; K189-I200 HydrophobicContact CG-CG2 4.32Å; K189-S202 PolarHBondContact NZ-OG 3.07Å; K189-S202 VanDerWaalsContact NZ-OG 3.15Å; K189-L205 HydrophobicContact CB-CD2 3.74Å |
| 190 | P | 89.6 | Confident | 87.6 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 172.9 | -24.4 | 34.1 | 0 | 0 | 0 | 113.1 | K186 L187 Q193 Q194 | K186-P190 WeakPolarHBondContact O-CD 3.31Å; L187-P190 WeakPolarHBondContact O-CD 3.47Å; P190-Q193 PolarHBondContact O-N 3.48Å; P190-Q194 VanDerWaalsContact O-CB 3.23Å; P190-Q194 WeakPolarHBondContact O-CB 3.4Å; P190-Q194 VanDerWaalsContact O-CG 3.29Å; P190-Q194 WeakPolarHBondContact O-CG 3.43Å; P190-Q194 PolarHBondContact O-N 3.36Å |
| 191 | F | 90.8 | Very high | 87.6 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.2 | -52.6 | 177.4 | 166.1 | -102.1 | 0 | 0 | 0 | 111.7 | E171 I175 L187 M188 K189 Q193 Q194 R195 L196 F218 | E171-F191 HydrophobicContact CB-CE2 3.64Å; E171-F191 HydrophobicContact CB-CZ 4.08Å; E171-F191 HydrophobicContact CG-CE2 4.03Å; I175-F191 HydrophobicContact CD1-CB 4.01Å; I175-F191 HydrophobicContact CD1-CD2 4.31Å; I175-F191 HydrophobicContact CD1-CG 4Å; L187-F191 WeakPolarHBondContact O-CB 3.43Å; L187-F191 PolarHBondContact O-N 3.34Å; M188-F191 HydrophobicContact CE-CD1 4.28Å; M188-F191 WeakPolarHBondContact O-CB 3.48Å; M188-F191 PolarHBondContact O-N 2.87Å; K189-F191 VanDerWaalsContact C-N 3.34Å; K189-F191 PolarHBondContact O-N 2.68Å; F191-Q193 VanDerWaalsContact C-N 3.35Å; F191-Q193 PolarHBondContact O-N 3.19Å; F191-Q194 PolarHBondContact O-N 2.96Å; F191-R195 HydrophobicContact CD2-CB 3.74Å; F191-R195 HydrophobicContact CD2-CG 3.66Å; F191-R195 HydrophobicContact CE2-CB 3.6Å; F191-R195 HydrophobicContact CE2-CG 3.94Å; F191-R195 HydrophobicContact CZ-CB 4.43Å; F191-R195 WeakPolarHBondContact O-CA 3.16Å; F191-R195 WeakPolarHBondContact O-CB 3.5Å; F191-R195 PolarHBondContact O-N 3.17Å; F191-L196 HydrophobicContact CE1-CD1 3.94Å; F191-L196 HydrophobicContact CE1-CD2 4.28Å; F191-L196 HydrophobicContact CE1-CG 3.93Å; F191-L196 HydrophobicContact CZ-CD1 4.46Å; F191-L196 HydrophobicContact CZ-CD2 3.97Å; F191-L196 HydrophobicContact CZ-CG 4.05Å; F191-L196 PolarHBondContact O-N 2.79Å; F191-F218 AromaticContact CD1-CE2 3.88Å; F191-F218 HydrophobicContact CD1-CE2 3.88Å; F191-F218 HydrophobicContact CD1-CZ 4.17Å; F191-F218 AromaticContact CE1-CE2 3.63Å; F191-F218 HydrophobicContact CE1-CE2 3.63Å; F191-F218 AromaticContact CE1-CZ 3.52Å; F191-F218 HydrophobicContact CE1-CZ 3.52Å; F191-F218 HydrophobicContact CE2-CZ 4.18Å; F191-F218 HydrophobicContact CZ-CE2 4.11Å; F191-F218 AromaticContact CZ-CZ 3.54Å; F191-F218 HydrophobicContact CZ-CZ 3.54Å |
| 192 | I | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | -179.8 | -65.9 | 161.2 | 0 | 0 | 0 | 110.6 | M188 K189 L196 Q197 C198 I200 L205 L225 | M188-I192 HydrophobicContact CB-CD1 4.35Å; M188-I192 HydrophobicContact CE-CD1 4.22Å; M188-I192 HydrophobicContact CE-CG1 4.44Å; M188-I192 WeakPolarHBondContact O-CB 3.24Å; M188-I192 WeakPolarHBondContact O-CD1 3.47Å; M188-I192 VanDerWaalsContact O-CG1 3.24Å; M188-I192 WeakPolarHBondContact O-CG1 3.36Å; M188-I192 PolarHBondContact O-N 3.11Å; K189-I192 PolarHBondContact O-N 3.3Å; I192-L196 HydrophobicContact CB-CD1 4.48Å; I192-L196 HydrophobicContact CG1-CD1 4.15Å; I192-L196 HydrophobicContact CG2-CD1 4.4Å; I192-L196 CarbonylContact O-C 3.56Å; I192-L196 WeakPolarHBondContact O-CA 3.39Å; I192-L196 VanDerWaalsContact O-CB 3.3Å; I192-L196 WeakPolarHBondContact O-CB 3.46Å; I192-L196 PolarHBondContact O-N 3.43Å; I192-Q197 PolarHBondContact O-N 3.41Å; I192-Q197 VanDerWaalsContact O-N 3.1Å; I192-C198 HydrophobicContact CG2-CB 3.96Å; I192-C198 PolarHBondContact O-N 3.38Å; I192-C198 VanDerWaalsContact O-N 3.15Å; I192-I200 HydrophobicContact CB-CG2 4.4Å; I192-I200 HydrophobicContact CD1-CD1 4.2Å; I192-I200 HydrophobicContact CD1-CG2 4.21Å; I192-I200 HydrophobicContact CG2-CB 4.38Å; I192-I200 HydrophobicContact CG2-CG2 4.04Å; I192-L205 HydrophobicContact CD1-CD1 3.67Å; I192-L225 HydrophobicContact CB-CD1 4.47Å; I192-L225 HydrophobicContact CD1-CD1 3.58Å; I192-L225 HydrophobicContact CG1-CD1 3.71Å; I192-L225 HydrophobicContact CG2-CD1 3.88Å |
| 193 | Q | 90.2 | Very high | 87.1 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.7 | -34.8 | -176.4 | -69.5 | -179.4 | -44.6 | 0 | 0 | 113.5 | K189 P190 F191 Q197 C198 | K189-Q193 WeakPolarHBondContact O-CB 3.43Å; K189-Q193 WeakPolarHBondContact O-CG 3.41Å; K189-Q193 PolarHBondContact O-N 3.12Å; P190-Q193 PolarHBondContact O-N 3.48Å; F191-Q193 VanDerWaalsContact C-N 3.35Å; F191-Q193 PolarHBondContact O-N 3.19Å; Q193-Q197 WeakPolarHBondContact O-CA 3.23Å; Q193-C198 WeakPolarHBondContact CA-O 3.24Å; Q193-C198 WeakPolarHBondContact CG-O 3.27Å |
| 194 | Q | 89 | Confident | 86.9 | Confident | 148 Ų | 148 | 77.1 Ų | 77.1 | 69% | 0.692 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -96.8 | -33.6 | -174.4 | -63.4 | 176.8 | -6.4 | 0 | 0 | 113.5 | P190 F191 | P190-Q194 VanDerWaalsContact O-CB 3.23Å; P190-Q194 WeakPolarHBondContact O-CB 3.4Å; P190-Q194 VanDerWaalsContact O-CG 3.29Å; P190-Q194 WeakPolarHBondContact O-CG 3.43Å; P190-Q194 PolarHBondContact O-N 3.36Å; F191-Q194 PolarHBondContact O-N 2.96Å |
| 195 | R | 87.8 | Confident | 86.8 | Confident | 132 Ų | 132 | 75.1 Ų | 75.1 | 50% | 0.498 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -43.1 | -174.1 | -54.3 | -65.6 | -70.4 | 169.3 | 0.4 | 112.3 | E171 F191 Q197 | E171-R195 IonicContact OE1-CZ 3.27Å; E171-R195 IonicContact OE1-NH2 3.13Å; E171-R195 PolarHBondContact OE1-NH2 3.3Å; E171-R195 IonicContact OE2-CZ 3.07Å; E171-R195 IonicContact OE2-NE 2.72Å; E171-R195 PolarHBondContact OE2-NE 2.9Å; E171-R195 IonicContact OE2-NH2 2.64Å; E171-R195 PolarHBondContact OE2-NH2 3.49Å; E171-R195 VanDerWaalsContact OE2-NH2 3.08Å; F191-R195 HydrophobicContact CD2-CB 3.74Å; F191-R195 HydrophobicContact CD2-CG 3.66Å; F191-R195 HydrophobicContact CE2-CB 3.6Å; F191-R195 HydrophobicContact CE2-CG 3.94Å; F191-R195 HydrophobicContact CZ-CB 4.43Å; F191-R195 WeakPolarHBondContact O-CA 3.16Å; F191-R195 WeakPolarHBondContact O-CB 3.5Å; F191-R195 PolarHBondContact O-N 3.17Å; R195-Q197 VanDerWaalsContact C-N 3.31Å |
| 196 | L | 86.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 78.7 Ų | 78.7 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -84.8 | -8.8 | 172.6 | -52.4 | -176 | 0 | 0 | 0 | 112.7 | W167 F191 I192 C198 L225 | W167-L196 HydrophobicContact CH2-CD2 3.51Å; W167-L196 HydrophobicContact CZ2-CD2 4.4Å; W167-L196 HydrophobicContact CZ3-CD2 4.34Å; F191-L196 HydrophobicContact CE1-CD1 3.94Å; F191-L196 HydrophobicContact CE1-CD2 4.28Å; F191-L196 HydrophobicContact CE1-CG 3.93Å; F191-L196 HydrophobicContact CZ-CD1 4.46Å; F191-L196 HydrophobicContact CZ-CD2 3.97Å; F191-L196 HydrophobicContact CZ-CG 4.05Å; F191-L196 PolarHBondContact O-N 2.79Å; I192-L196 HydrophobicContact CB-CD1 4.48Å; I192-L196 HydrophobicContact CG1-CD1 4.15Å; I192-L196 HydrophobicContact CG2-CD1 4.4Å; I192-L196 CarbonylContact O-C 3.56Å; I192-L196 WeakPolarHBondContact O-CA 3.39Å; I192-L196 VanDerWaalsContact O-CB 3.3Å; I192-L196 WeakPolarHBondContact O-CB 3.46Å; I192-L196 PolarHBondContact O-N 3.43Å; L196-C198 HydrophobicContact CB-CB 4.38Å; L196-C198 PolarHBondContact O-N 2.83Å; L196-C198 VanDerWaalsContact O-N 3.12Å; L196-L225 HydrophobicContact CD1-CB 4.48Å; L196-L225 HydrophobicContact CD1-CD1 4.19Å |
| 197 | Q | 84.7 | Confident | 86.7 | Confident | 172 Ų | 172 | 77 Ų | 77 | 80% | 0.804 | 38% | 0.376 | S | S | * | . | trans | 54.6 | 29.2 | -177.7 | -56.2 | -179.7 | 8.8 | 0 | 0 | 113.2 | I192 Q193 R195 | I192-Q197 PolarHBondContact O-N 3.41Å; I192-Q197 VanDerWaalsContact O-N 3.1Å; Q193-Q197 WeakPolarHBondContact O-CA 3.23Å; R195-Q197 VanDerWaalsContact C-N 3.31Å | ||
| 198 | C | 83.6 | Confident | 86.2 | Confident | 41 Ų | 41 | 75.8 Ų | 75.8 | 28% | 0.277 | 37% | 0.37 | S | S | . | . | trans | -109.9 | 138 | -176.7 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | I192 Q193 L196 | I192-C198 HydrophobicContact CG2-CB 3.96Å; I192-C198 PolarHBondContact O-N 3.38Å; I192-C198 VanDerWaalsContact O-N 3.15Å; Q193-C198 WeakPolarHBondContact CA-O 3.24Å; Q193-C198 WeakPolarHBondContact CG-O 3.27Å; L196-C198 HydrophobicContact CB-CB 4.38Å; L196-C198 PolarHBondContact O-N 2.83Å; L196-C198 VanDerWaalsContact O-N 3.12Å | ||
| 199 | R | 84.9 | Confident | 85.5 | Confident | 239 Ų | 239 | 76.1 Ų | 76.1 | 90% | 0.902 | 37% | 0.372 | S | S | * | . | trans | -87.4 | 127 | 174.9 | -69.1 | -173.9 | -179.8 | -179.8 | 1.7 | 110 | ||||
| 200 | I | 86.2 | Confident | 84.7 | Confident | 18 Ų | 18 | 79.3 Ų | 79.3 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | trans | -130.9 | 137 | 176.5 | -162.3 | 171.5 | 0 | 0 | 0 | 111.2 | K189 I192 A204 L205 L208 L225 | K189-I200 HydrophobicContact CG-CG2 4.32Å; I192-I200 HydrophobicContact CB-CG2 4.4Å; I192-I200 HydrophobicContact CD1-CD1 4.2Å; I192-I200 HydrophobicContact CD1-CG2 4.21Å; I192-I200 HydrophobicContact CG2-CB 4.38Å; I192-I200 HydrophobicContact CG2-CG2 4.04Å; I200-A204 HydrophobicContact CD1-CB 4.46Å; I200-A204 HydrophobicContact CG1-CB 3.9Å; I200-L205 HydrophobicContact CD1-CB 3.93Å; I200-L205 HydrophobicContact CD1-CD1 4.13Å; I200-L205 HydrophobicContact CG1-CB 4.31Å; I200-L208 HydrophobicContact CD1-CD2 4.29Å; I200-L225 HydrophobicContact CD1-CD1 4.43Å; I200-L225 HydrophobicContact CD1-CD2 3.84Å | ||
| 201 | S | 87.6 | Confident | 83.9 | Confident | 66 Ų | 66 | 82.8 Ų | 82.8 | 46% | 0.462 | 41% | 0.408 | S | S | . | . | trans | -76.2 | 155.1 | 172 | 78.1 | 0 | 0 | 0 | 0 | 110.1 | K203 A204 L205 | S201-K203 PolarHBondContact O-N 3.28Å; S201-A204 PolarHBondContact O-N 2.76Å; S201-A204 WeakPolarHBondContact OG-CB 3.19Å; S201-A204 PolarHBondContact OG-N 3.31Å; S201-L205 PolarHBondContact O-N 2.86Å | ||
| 202 | S | 83.8 | Confident | 83.2 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -31.9 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 112 | K189 L206 | K189-S202 PolarHBondContact NZ-OG 3.07Å; K189-S202 VanDerWaalsContact NZ-OG 3.15Å; S202-L206 WeakPolarHBondContact O-CG 3.47Å; S202-L206 PolarHBondContact O-N 2.98Å |
| 203 | K | 85.9 | Confident | 83.1 | Confident | 148 Ų | 148 | 86.9 Ų | 86.9 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.7 | -49.4 | 175.4 | -176.7 | -178.9 | 174.2 | -174.7 | 0 | 111.7 | S201 L205 L206 E207 | S201-K203 PolarHBondContact O-N 3.28Å; K203-L205 PolarHBondContact O-N 2.88Å; K203-L206 PolarHBondContact O-N 2.91Å; K203-L206 VanDerWaalsContact O-N 3.15Å; K203-E207 WeakPolarHBondContact CE-OE1 3.19Å; K203-E207 PolarHBondContact O-N 3.32Å; K203-E207 VanDerWaalsContact O-N 3.12Å |
| 204 | A | 84.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 86.4 Ų | 86.4 | 30% | 0.298 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.4 | -32.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I200 S201 E207 L208 | I200-A204 HydrophobicContact CD1-CB 4.46Å; I200-A204 HydrophobicContact CG1-CB 3.9Å; S201-A204 PolarHBondContact O-N 2.76Å; S201-A204 WeakPolarHBondContact OG-CB 3.19Å; S201-A204 PolarHBondContact OG-N 3.31Å; A204-E207 PolarHBondContact O-N 3.46Å; A204-L208 WeakPolarHBondContact O-CB 3.43Å; A204-L208 PolarHBondContact O-N 3.19Å; A204-L208 VanDerWaalsContact O-N 3.15Å |
| 205 | L | 84.1 | Confident | 83.4 | Confident | 10 Ų | 10 | 81.5 Ų | 81.5 | 5% | 0.052 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 174.4 | -179.2 | 60.2 | 0 | 0 | 0 | 112.4 | L185 M188 K189 I192 I200 S201 K203 E207 L208 T209 | L185-L205 HydrophobicContact CD1-CD1 4.39Å; L185-L205 HydrophobicContact CD1-CD2 4.27Å; L185-L205 HydrophobicContact CD1-CG 3.98Å; M188-L205 HydrophobicContact CB-CD1 3.94Å; M188-L205 HydrophobicContact CB-CD2 4.22Å; K189-L205 HydrophobicContact CB-CD2 3.74Å; I192-L205 HydrophobicContact CD1-CD1 3.67Å; I200-L205 HydrophobicContact CD1-CB 3.93Å; I200-L205 HydrophobicContact CD1-CD1 4.13Å; I200-L205 HydrophobicContact CG1-CB 4.31Å; S201-L205 PolarHBondContact O-N 2.86Å; K203-L205 PolarHBondContact O-N 2.88Å; L205-E207 VanDerWaalsContact C-N 3.29Å; L205-E207 PolarHBondContact O-N 2.87Å; L205-L208 WeakPolarHBondContact O-CB 3.17Å; L205-L208 PolarHBondContact O-N 3.46Å; L205-T209 PolarHBondContact O-N 2.93Å; L205-T209 PolarHBondContact O-OG1 3.07Å |
| 206 | L | 83.6 | Confident | 83.4 | Confident | 107 Ų | 107 | 81.8 Ų | 81.8 | 56% | 0.56 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.3 | -31.1 | 175.7 | -73.7 | 164.7 | 0 | 0 | 0 | 112.4 | L185 S202 K203 L208 | L185-L206 HydrophobicContact CD2-CD2 3.49Å; L185-L206 VanDerWaalsContact CD2-CD2 3.49Å; L185-L206 HydrophobicContact CD2-CG 4.44Å; S202-L206 WeakPolarHBondContact O-CG 3.47Å; S202-L206 PolarHBondContact O-N 2.98Å; K203-L206 PolarHBondContact O-N 2.91Å; K203-L206 VanDerWaalsContact O-N 3.15Å; L206-L208 VanDerWaalsContact C-N 3.3Å |
| 207 | E | 83.1 | Confident | 83.6 | Confident | 133 Ų | 133 | 81.8 Ų | 81.8 | 62% | 0.621 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -74.1 | -22.9 | 174.5 | -69.6 | 169.8 | -173.4 | 0 | 0 | 112.5 | K203 A204 L205 | K203-E207 WeakPolarHBondContact CE-OE1 3.19Å; K203-E207 PolarHBondContact O-N 3.32Å; K203-E207 VanDerWaalsContact O-N 3.12Å; A204-E207 PolarHBondContact O-N 3.46Å; L205-E207 VanDerWaalsContact C-N 3.29Å; L205-E207 PolarHBondContact O-N 2.87Å |
| 208 | L | 79 | Confident | 83.9 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 15% | 0.152 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -83.6 | -35.5 | -177.6 | -169.3 | 70 | 0 | 0 | 0 | 112.8 | I200 A204 L205 L206 A221 R224 L225 | I200-L208 HydrophobicContact CD1-CD2 4.29Å; A204-L208 WeakPolarHBondContact O-CB 3.43Å; A204-L208 PolarHBondContact O-N 3.19Å; A204-L208 VanDerWaalsContact O-N 3.15Å; L205-L208 WeakPolarHBondContact O-CB 3.17Å; L205-L208 PolarHBondContact O-N 3.46Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L208-A221 HydrophobicContact CD2-CB 3.75Å; L208-A221 HydrophobicContact CG-CB 3.89Å; L208-R224 HydrophobicContact CD1-CB 3.66Å; L208-R224 HydrophobicContact CD1-CG 4.33Å; L208-L225 HydrophobicContact CD2-CD1 3.54Å; L208-L225 HydrophobicContact CD2-CD2 4.05Å; L208-L225 HydrophobicContact CD2-CG 3.69Å |
| 209 | T | 72.9 | Confident | 84.2 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | trans | -144.1 | 144.4 | -169 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | L185 L205 I213 A221 | L185-T209 WeakPolarHBondContact CD1-OG1 3.32Å; L205-T209 PolarHBondContact O-N 2.93Å; L205-T209 PolarHBondContact O-OG1 3.07Å; T209-I213 HydrophobicContact CG2-CD1 3.91Å; T209-I213 HydrophobicContact CG2-CG1 4.38Å; T209-A221 HydrophobicContact CG2-CB 3.48Å; T209-A221 VanDerWaalsContact CG2-CB 3.48Å | ||
| 210 | N | 72.9 | Confident | 84.2 | Confident | 133 Ų | 133 | 64.7 Ų | 64.7 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | trans | -69.3 | 171.5 | 168.7 | -62.8 | -31.6 | 0 | 0 | 0 | 111.8 | V212 I213 | N210-V212 PolarHBondContact O-N 2.82Å; N210-I213 WeakPolarHBondContact O-CG1 3.27Å | ||
| 211 | D | 71.7 | Confident | 84.3 | Confident | 125 Ų | 125 | 63.9 Ų | 63.9 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -59.9 | -30.6 | 179.3 | -78.2 | -33.2 | 0 | 0 | 0 | 113.9 | ||
| 212 | V | 75.4 | Confident | 84.3 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 58% | 0.582 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.7 | 178.9 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | T182 N210 | T182-V212 HydrophobicContact CG2-CG1 3.41Å; T182-V212 VanDerWaalsContact CG2-CG1 3.41Å; N210-V212 PolarHBondContact O-N 2.82Å |
| 213 | I | 88.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 101.6 | -173.4 | -52.3 | 172 | 0 | 0 | 0 | 107.8 | T182 V183 L185 M188 T209 N210 A217 F218 | T182-I213 CarbonylContact C-O 3.55Å; T182-I213 VanDerWaalsContact CA-O 3.28Å; T182-I213 WeakPolarHBondContact CA-O 3.35Å; V183-I213 HydrophobicContact CB-CB 4.27Å; V183-I213 PolarHBondContact N-O 2.7Å; L185-I213 HydrophobicContact CD1-CD1 4.07Å; M188-I213 HydrophobicContact CG-CD1 3.35Å; M188-I213 HydrophobicContact SD-CD1 4.09Å; T209-I213 HydrophobicContact CG2-CD1 3.91Å; T209-I213 HydrophobicContact CG2-CG1 4.38Å; N210-I213 WeakPolarHBondContact O-CG1 3.27Å; I213-A217 HydrophobicContact CG2-CB 3.9Å; I213-F218 HydrophobicContact CG2-CB 3.83Å |
| 214 | D | 91.8 | Very high | 84.1 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 40% | 0.401 | 31% | 0.308 | S | S | . | . | trans | -75.3 | -175.7 | 167.7 | 63 | 19.2 | 0 | 0 | 0 | 110.9 | F172 T182 E216 A217 F218 | F172-D214 VanDerWaalsContact CE2-C 3.5Å; T182-D214 HydrophobicContact CG2-CB 4.36Å; D214-E216 VanDerWaalsContact C-N 3.33Å; D214-E216 PolarHBondContact O-N 3.41Å; D214-E216 PolarHBondContact OD1-N 3.45Å; D214-A217 WeakPolarHBondContact OD1-CB 3.46Å; D214-A217 PolarHBondContact OD1-N 2.88Å; D214-F218 VanDerWaalsContact O-CB 3.24Å; D214-F218 WeakPolarHBondContact O-CB 3.4Å; D214-F218 PolarHBondContact O-N 2.92Å | ||
| 215 | F | 92 | Very high | 84 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | -178.5 | 178.2 | -110.1 | 0 | 0 | 0 | 112.6 | L168 R169 F172 F218 V219 | L168-F215 HydrophobicContact CB-CE2 4.33Å; R169-F215 HydrophobicContact CB-CE2 4.24Å; R169-F215 HydrophobicContact CG-CD2 4.37Å; R169-F215 HydrophobicContact CG-CE1 4.2Å; R169-F215 HydrophobicContact CG-CE2 3.45Å; R169-F215 VanDerWaalsContact CG-CE2 3.45Å; R169-F215 HydrophobicContact CG-CZ 3.34Å; R169-F215 VanDerWaalsContact CZ-CE1 3.49Å; F172-F215 HydrophobicContact CB-CD2 3.94Å; F172-F215 HydrophobicContact CB-CE2 4.33Å; F172-F215 HydrophobicContact CD1-CB 4.28Å; F172-F215 AromaticContact CD1-CD2 3.9Å; F172-F215 HydrophobicContact CD1-CD2 3.9Å; F172-F215 HydrophobicContact CD2-CB 4.43Å; F172-F215 HydrophobicContact CD2-CD2 4.16Å; F172-F215 HydrophobicContact CE1-CB 3.97Å; F172-F215 HydrophobicContact CE1-CD2 4.44Å; F172-F215 HydrophobicContact CE2-CB 4.11Å; F172-F215 HydrophobicContact CG-CB 4.5Å; F172-F215 AromaticContact CG-CD2 3.73Å; F172-F215 HydrophobicContact CG-CD2 3.73Å; F172-F215 HydrophobicContact CZ-CB 3.86Å; F215-F218 WeakPolarHBondContact O-CB 3.47Å; F215-F218 PolarHBondContact O-N 3.33Å; F215-V219 HydrophobicContact CD1-CG2 4.24Å; F215-V219 HydrophobicContact CD2-CG2 4.08Å; F215-V219 HydrophobicContact CE1-CG2 3.75Å; F215-V219 HydrophobicContact CE2-CG2 3.57Å; F215-V219 HydrophobicContact CG-CG2 4.4Å; F215-V219 HydrophobicContact CZ-CG2 3.39Å; F215-V219 VanDerWaalsContact O-CG2 3.25Å; F215-V219 WeakPolarHBondContact O-CG2 3.16Å; F215-V219 PolarHBondContact O-N 3.33Å |
| 216 | E | 89.4 | Confident | 83.7 | Confident | 139 Ų | 139 | 64 Ų | 64 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.9 | -47 | -177.5 | -171.6 | 172.5 | -179 | 0 | 0 | 110.9 | D214 F218 V219 I220 | D214-E216 VanDerWaalsContact C-N 3.33Å; D214-E216 PolarHBondContact O-N 3.41Å; D214-E216 PolarHBondContact OD1-N 3.45Å; E216-F218 VanDerWaalsContact C-N 3.29Å; E216-F218 PolarHBondContact O-N 3.37Å; E216-V219 PolarHBondContact O-N 2.89Å; E216-I220 HydrophobicContact CG-CD1 4.34Å; E216-I220 WeakPolarHBondContact O-CG1 3.28Å; E216-I220 PolarHBondContact O-N 3.24Å |
| 217 | A | 89.5 | Confident | 83.3 | Confident | 30 Ų | 30 | 61 Ų | 61 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | I213 D214 A221 | I213-A217 HydrophobicContact CG2-CB 3.9Å; D214-A217 WeakPolarHBondContact OD1-CB 3.46Å; D214-A217 PolarHBondContact OD1-N 2.88Å; A217-A221 VanDerWaalsContact O-CB 3.29Å; A217-A221 WeakPolarHBondContact O-CB 3.38Å; A217-A221 PolarHBondContact O-N 2.8Å |
| 218 | F | 91.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.1 | 178 | -96.2 | 0 | 0 | 0 | 112.4 | L168 E171 F172 I175 M188 F191 I213 D214 F215 E216 A221 C222 | L168-F218 HydrophobicContact CD2-CE1 4.2Å; E171-F218 HydrophobicContact CB-CZ 4.32Å; F172-F218 HydrophobicContact CB-CD1 3.91Å; F172-F218 HydrophobicContact CB-CE1 3.9Å; F172-F218 HydrophobicContact CB-CG 4.46Å; F172-F218 HydrophobicContact CB-CZ 4.44Å; F172-F218 HydrophobicContact CD2-CB 3.79Å; F172-F218 AromaticContact CD2-CD1 3.98Å; F172-F218 HydrophobicContact CD2-CD1 3.98Å; F172-F218 HydrophobicContact CD2-CD2 4.22Å; F172-F218 AromaticContact CD2-CG 3.74Å; F172-F218 HydrophobicContact CD2-CG 3.74Å; F172-F218 HydrophobicContact CE2-CB 4.18Å; F172-F218 HydrophobicContact CG-CD1 4.4Å; I175-F218 HydrophobicContact CD1-CE2 3.93Å; M188-F218 HydrophobicContact CE-CD2 3.83Å; M188-F218 HydrophobicContact CE-CE2 3.97Å; M188-F218 HydrophobicContact SD-CD2 3.68Å; M188-F218 HydrophobicContact SD-CE2 3.82Å; F191-F218 AromaticContact CD1-CE2 3.88Å; F191-F218 HydrophobicContact CD1-CE2 3.88Å; F191-F218 HydrophobicContact CD1-CZ 4.17Å; F191-F218 AromaticContact CE1-CE2 3.63Å; F191-F218 HydrophobicContact CE1-CE2 3.63Å; F191-F218 AromaticContact CE1-CZ 3.52Å; F191-F218 HydrophobicContact CE1-CZ 3.52Å; F191-F218 HydrophobicContact CE2-CZ 4.18Å; F191-F218 HydrophobicContact CZ-CE2 4.11Å; F191-F218 AromaticContact CZ-CZ 3.54Å; F191-F218 HydrophobicContact CZ-CZ 3.54Å; I213-F218 HydrophobicContact CG2-CB 3.83Å; D214-F218 VanDerWaalsContact O-CB 3.24Å; D214-F218 WeakPolarHBondContact O-CB 3.4Å; D214-F218 PolarHBondContact O-N 2.92Å; F215-F218 WeakPolarHBondContact O-CB 3.47Å; F215-F218 PolarHBondContact O-N 3.33Å; E216-F218 VanDerWaalsContact C-N 3.29Å; E216-F218 PolarHBondContact O-N 3.37Å; F218-A221 PolarHBondContact O-N 3.32Å; F218-C222 PolarHBondContact O-N 2.99Å; F218-C222 PolarHBondContact O-SG 2.83Å |
| 219 | V | 89.3 | Confident | 82.6 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 177.8 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | L168 F215 E216 A221 C222 R223 | L168-V219 HydrophobicContact CB-CG2 4.34Å; L168-V219 HydrophobicContact CD1-CG1 4.16Å; L168-V219 HydrophobicContact CD1-CG2 4.11Å; F215-V219 HydrophobicContact CD1-CG2 4.24Å; F215-V219 HydrophobicContact CD2-CG2 4.08Å; F215-V219 HydrophobicContact CE1-CG2 3.75Å; F215-V219 HydrophobicContact CE2-CG2 3.57Å; F215-V219 HydrophobicContact CG-CG2 4.4Å; F215-V219 HydrophobicContact CZ-CG2 3.39Å; F215-V219 VanDerWaalsContact O-CG2 3.25Å; F215-V219 WeakPolarHBondContact O-CG2 3.16Å; F215-V219 PolarHBondContact O-N 3.33Å; E216-V219 PolarHBondContact O-N 2.89Å; V219-A221 VanDerWaalsContact C-N 3.32Å; V219-A221 PolarHBondContact O-N 3.01Å; V219-C222 PolarHBondContact O-N 3.47Å; V219-R223 HydrophobicContact CG1-CG 4.48Å; V219-R223 WeakPolarHBondContact O-CB 3.45Å; V219-R223 WeakPolarHBondContact O-CD 3.25Å; V219-R223 VanDerWaalsContact O-CG 3.24Å; V219-R223 WeakPolarHBondContact O-CG 3.48Å; V219-R223 PolarHBondContact O-N 3.42Å |
| 220 | I | 85.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 65 Ų | 65 | 40% | 0.395 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 176.4 | -67.9 | 168 | 0 | 0 | 0 | 110.8 | E216 R223 R224 | E216-I220 HydrophobicContact CG-CD1 4.34Å; E216-I220 WeakPolarHBondContact O-CG1 3.28Å; E216-I220 PolarHBondContact O-N 3.24Å; I220-R223 PolarHBondContact O-N 3.48Å; I220-R224 WeakPolarHBondContact O-CG 3.36Å; I220-R224 PolarHBondContact O-N 2.88Å |
| 221 | A | 86.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M188 L208 T209 A217 F218 V219 R223 R224 L225 | M188-A221 HydrophobicContact CE-CB 4.42Å; L208-A221 HydrophobicContact CD2-CB 3.75Å; L208-A221 HydrophobicContact CG-CB 3.89Å; T209-A221 HydrophobicContact CG2-CB 3.48Å; T209-A221 VanDerWaalsContact CG2-CB 3.48Å; A217-A221 VanDerWaalsContact O-CB 3.29Å; A217-A221 WeakPolarHBondContact O-CB 3.38Å; A217-A221 PolarHBondContact O-N 2.8Å; F218-A221 PolarHBondContact O-N 3.32Å; V219-A221 VanDerWaalsContact C-N 3.32Å; V219-A221 PolarHBondContact O-N 3.01Å; A221-R223 VanDerWaalsContact C-N 3.32Å; A221-R223 PolarHBondContact O-N 2.91Å; A221-R224 PolarHBondContact O-N 3.33Å; A221-L225 WeakPolarHBondContact O-CG 3.46Å; A221-L225 PolarHBondContact O-N 3.11Å |
| 222 | C | 88.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 177 | -71.9 | 0 | 0 | 0 | 0 | 111.2 | L168 F218 V219 L225 T226 | L168-C222 HydrophobicContact CD2-CB 3.71Å; F218-C222 PolarHBondContact O-N 2.99Å; F218-C222 PolarHBondContact O-SG 2.83Å; V219-C222 PolarHBondContact O-N 3.47Å; C222-L225 PolarHBondContact O-N 2.95Å; C222-L225 VanDerWaalsContact O-N 3.14Å; C222-T226 WeakPolarHBondContact O-CG2 3.33Å; C222-T226 PolarHBondContact O-N 2.86Å; C222-T226 PolarHBondContact O-OG1 2.71Å; C222-T226 VanDerWaalsContact O-OG1 3.1Å |
| 223 | R | 83.3 | Confident | 84.8 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 23% | 0.234 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | -178.5 | -71.8 | 162.2 | 160.5 | -157 | 8.6 | 112.1 | V219 I220 A221 L225 T226 Y227 Q295 | V219-R223 HydrophobicContact CG1-CG 4.48Å; V219-R223 WeakPolarHBondContact O-CB 3.45Å; V219-R223 WeakPolarHBondContact O-CD 3.25Å; V219-R223 VanDerWaalsContact O-CG 3.24Å; V219-R223 WeakPolarHBondContact O-CG 3.48Å; V219-R223 PolarHBondContact O-N 3.42Å; I220-R223 PolarHBondContact O-N 3.48Å; A221-R223 VanDerWaalsContact C-N 3.32Å; A221-R223 PolarHBondContact O-N 2.91Å; R223-L225 PolarHBondContact O-N 3.38Å; R223-L225 VanDerWaalsContact O-N 3.15Å; R223-T226 WeakPolarHBondContact CA-OG1 3.44Å; R223-T226 PolarHBondContact O-N 3.48Å; R223-T226 PolarHBondContact O-OG1 3.2Å; R223-Y227 HydrophobicContact CB-CD2 4Å; R223-Y227 HydrophobicContact CB-CE2 4.22Å; R223-Y227 HydrophobicContact CG-CD2 4.38Å; R223-Y227 HydrophobicContact CG-CE2 4.09Å; R223-Y227 WeakPolarHBondContact O-CD2 3.28Å; R223-Y227 PolarHBondContact O-N 3.01Å; R223-Q295 VanDerWaalsContact CD-OE1 3.3Å; R223-Q295 VanDerWaalsContact CZ-NE2 3.29Å; R223-Q295 VanDerWaalsContact NH1-OE1 3.1Å |
| 224 | R | 82 | Confident | 84.8 | Confident | 146 Ų | 146 | 60.9 Ų | 60.9 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.6 | -25.6 | 175.1 | -79.5 | -178.7 | 175.8 | -174.5 | 0.1 | 113.7 | L208 I220 A221 | L208-R224 HydrophobicContact CD1-CB 3.66Å; L208-R224 HydrophobicContact CD1-CG 4.33Å; I220-R224 WeakPolarHBondContact O-CG 3.36Å; I220-R224 PolarHBondContact O-N 2.88Å; A221-R224 PolarHBondContact O-N 3.33Å |
| 225 | L | 82.9 | Confident | 84.6 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -88 | -28.8 | 178 | -68.2 | 170.2 | 0 | 0 | 0 | 113.4 | I192 L196 I200 L208 A221 C222 R223 | I192-L225 HydrophobicContact CB-CD1 4.47Å; I192-L225 HydrophobicContact CD1-CD1 3.58Å; I192-L225 HydrophobicContact CG1-CD1 3.71Å; I192-L225 HydrophobicContact CG2-CD1 3.88Å; L196-L225 HydrophobicContact CD1-CB 4.48Å; L196-L225 HydrophobicContact CD1-CD1 4.19Å; I200-L225 HydrophobicContact CD1-CD1 4.43Å; I200-L225 HydrophobicContact CD1-CD2 3.84Å; L208-L225 HydrophobicContact CD2-CD1 3.54Å; L208-L225 HydrophobicContact CD2-CD2 4.05Å; L208-L225 HydrophobicContact CD2-CG 3.69Å; A221-L225 WeakPolarHBondContact O-CG 3.46Å; A221-L225 PolarHBondContact O-N 3.11Å; C222-L225 PolarHBondContact O-N 2.95Å; C222-L225 VanDerWaalsContact O-N 3.14Å; R223-L225 PolarHBondContact O-N 3.38Å; R223-L225 VanDerWaalsContact O-N 3.15Å |
| 226 | T | 77.6 | Confident | 84.5 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -90.4 | -31.6 | -178.7 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | C222 R223 | C222-T226 WeakPolarHBondContact O-CG2 3.33Å; C222-T226 PolarHBondContact O-N 2.86Å; C222-T226 PolarHBondContact O-OG1 2.71Å; C222-T226 VanDerWaalsContact O-OG1 3.1Å; R223-T226 WeakPolarHBondContact CA-OG1 3.44Å; R223-T226 PolarHBondContact O-N 3.48Å; R223-T226 PolarHBondContact O-OG1 3.2Å |
| 227 | Y | 75.5 | Confident | 84.6 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | trans | -99.5 | 124.3 | -177.2 | -62.7 | -76.4 | 0 | 0 | 0 | 111.8 | R223 H229 Q295 L298 D299 | R223-Y227 HydrophobicContact CB-CD2 4Å; R223-Y227 HydrophobicContact CB-CE2 4.22Å; R223-Y227 HydrophobicContact CG-CD2 4.38Å; R223-Y227 HydrophobicContact CG-CE2 4.09Å; R223-Y227 WeakPolarHBondContact O-CD2 3.28Å; R223-Y227 PolarHBondContact O-N 3.01Å; Y227-H229 PolarHBondContact O-N 3.41Å; Y227-Q295 HydrophobicContact CD2-CG 4.32Å; Y227-L298 HydrophobicContact CD1-CB 3.9Å; Y227-L298 HydrophobicContact CD1-CD1 4.25Å; Y227-L298 HydrophobicContact CE1-CB 4.2Å; Y227-D299 WeakPolarHBondContact CE1-OD1 3.41Å; Y227-D299 PolarHBondContact OH-OD1 3Å | ||
| 228 | N | 74.5 | Confident | 84.7 | Confident | 111 Ų | 111 | 61.5 Ų | 61.5 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | trans | -82.4 | 98.8 | 166.4 | -174 | -4.6 | 0 | 0 | 0 | 109 | A230 L231 | N228-A230 PolarHBondContact O-N 3.37Å; N228-A230 WeakPolarHBondContact OD1-CB 3.49Å; N228-A230 PolarHBondContact OD1-N 3.36Å; N228-L231 WeakPolarHBondContact O-CB 3.5Å; N228-L231 PolarHBondContact O-N 2.9Å | ||
| 229 | H | 73.1 | Confident | 84.8 | Confident | 107 Ų | 107 | 62 Ų | 62 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -54.3 | -26.1 | 175.7 | -83.2 | -77.9 | 0 | 0 | 0 | 113.3 | Y227 L231 F232 S233 | Y227-H229 PolarHBondContact O-N 3.41Å; H229-L231 PolarHBondContact O-N 3.41Å; H229-F232 PolarHBondContact O-N 3.46Å; H229-S233 PolarHBondContact O-N 2.83Å |
| 230 | A | 83.3 | Confident | 85 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -24.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N228 F232 S233 N234 | N228-A230 PolarHBondContact O-N 3.37Å; N228-A230 WeakPolarHBondContact OD1-CB 3.49Å; N228-A230 PolarHBondContact OD1-N 3.36Å; A230-F232 VanDerWaalsContact C-N 3.35Å; A230-S233 WeakPolarHBondContact CA-OG 3.34Å; A230-S233 PolarHBondContact O-OG 3.33Å; A230-N234 WeakPolarHBondContact O-CB 2.94Å; A230-N234 PolarHBondContact O-N 2.8Å; A230-N234 PolarHBondContact O-ND2 2.92Å; A230-N234 PolarHBondContact O-OD1 3.19Å |
| 231 | L | 82.6 | Confident | 85.3 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.7 | -178.4 | 64.5 | 0 | 0 | 0 | 110.7 | N228 H229 S235 F236 L298 | N228-L231 WeakPolarHBondContact O-CB 3.5Å; N228-L231 PolarHBondContact O-N 2.9Å; H229-L231 PolarHBondContact O-N 3.41Å; L231-S235 WeakPolarHBondContact O-CB 3.25Å; L231-S235 PolarHBondContact O-N 2.94Å; L231-F236 HydrophobicContact CD1-CE2 4.47Å; L231-F236 HydrophobicContact CG-CE2 4.28Å; L231-L298 HydrophobicContact CD2-CD2 4.16Å; L231-L298 HydrophobicContact CG-CD2 4.46Å |
| 232 | F | 85.7 | Confident | 85.5 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.9 | -49.5 | 177.8 | -172 | -92.2 | 0 | 0 | 0 | 111.3 | H229 A230 N234 S235 F236 F237 V246 V294 F297 L298 | H229-F232 PolarHBondContact O-N 3.46Å; A230-F232 VanDerWaalsContact C-N 3.35Å; F232-N234 VanDerWaalsContact C-N 3.26Å; F232-N234 PolarHBondContact O-N 3.46Å; F232-S235 PolarHBondContact O-N 2.76Å; F232-F236 HydrophobicContact CD2-CB 3.63Å; F232-F236 HydrophobicContact CE2-CB 3.68Å; F232-F236 HydrophobicContact CG-CB 4.27Å; F232-F236 HydrophobicContact CZ-CB 4.34Å; F232-F236 WeakPolarHBondContact CZ-O 3.43Å; F232-F236 CarbonylContact O-C 3.49Å; F232-F236 WeakPolarHBondContact O-CA 3.37Å; F232-F236 PolarHBondContact O-N 2.64Å; F232-F237 PolarHBondContact O-N 3.11Å; F232-V246 HydrophobicContact CE2-CG2 4.07Å; F232-V246 HydrophobicContact CZ-CG2 4.16Å; F232-V294 HydrophobicContact CB-CG1 3.82Å; F232-V294 HydrophobicContact CD1-CB 4.41Å; F232-V294 HydrophobicContact CD1-CG1 3.63Å; F232-V294 HydrophobicContact CD1-CG2 3.85Å; F232-V294 HydrophobicContact CD2-CB 4.42Å; F232-V294 HydrophobicContact CD2-CG1 3.65Å; F232-V294 HydrophobicContact CD2-CG2 4.28Å; F232-V294 HydrophobicContact CE1-CB 4.44Å; F232-V294 HydrophobicContact CE1-CG1 4.14Å; F232-V294 HydrophobicContact CE1-CG2 3.46Å; F232-V294 VanDerWaalsContact CE1-CG2 3.46Å; F232-V294 HydrophobicContact CE2-CB 4.44Å; F232-V294 HydrophobicContact CE2-CG1 4.14Å; F232-V294 HydrophobicContact CE2-CG2 3.94Å; F232-V294 HydrophobicContact CG-CB 4.41Å; F232-V294 HydrophobicContact CG-CG1 3.38Å; F232-V294 HydrophobicContact CG-CG2 4.26Å; F232-V294 HydrophobicContact CZ-CB 4.48Å; F232-V294 HydrophobicContact CZ-CG1 4.38Å; F232-V294 HydrophobicContact CZ-CG2 3.53Å; F232-F297 AromaticContact CD2-CD1 3.92Å; F232-F297 HydrophobicContact CD2-CD1 3.92Å; F232-F297 HydrophobicContact CD2-CE1 4.35Å; F232-F297 AromaticContact CE2-CD1 3.69Å; F232-F297 HydrophobicContact CE2-CD1 3.69Å; F232-F297 HydrophobicContact CE2-CE1 4.08Å; F232-L298 HydrophobicContact CB-CD1 4.29Å; F232-L298 HydrophobicContact CB-CD2 4.19Å; F232-L298 HydrophobicContact CB-CG 4.48Å; F232-L298 HydrophobicContact CD2-CD2 4.39Å |
| 233 | S | 87.2 | Confident | 85.4 | Confident | 62 Ų | 62 | 70.1 Ų | 70.1 | 43% | 0.434 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -33.9 | -177.6 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | H229 A230 F237 | H229-S233 PolarHBondContact O-N 2.83Å; A230-S233 WeakPolarHBondContact CA-OG 3.34Å; A230-S233 PolarHBondContact O-OG 3.33Å; S233-F237 WeakPolarHBondContact O-CB 3.15Å |
| 234 | N | 88.5 | Confident | 85.7 | Confident | 131 Ų | 131 | 73.5 Ų | 73.5 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -86.6 | -31.5 | -175.9 | -63.2 | -9.1 | 0 | 0 | 0 | 113 | A230 F232 | A230-N234 WeakPolarHBondContact O-CB 2.94Å; A230-N234 PolarHBondContact O-N 2.8Å; A230-N234 PolarHBondContact O-ND2 2.92Å; A230-N234 PolarHBondContact O-OD1 3.19Å; F232-N234 VanDerWaalsContact C-N 3.26Å; F232-N234 PolarHBondContact O-N 3.46Å |
| 235 | S | 87.6 | Confident | 86.1 | Confident | 73 Ų | 73 | 69 Ų | 69 | 51% | 0.51 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -117.4 | -23.9 | -170 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | L231 F232 | L231-S235 WeakPolarHBondContact O-CB 3.25Å; L231-S235 PolarHBondContact O-N 2.94Å; F232-S235 PolarHBondContact O-N 2.76Å |
| 236 | F | 90.3 | Very high | 86.6 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 6.7 | -169.4 | -58 | -71.7 | 0 | 0 | 0 | 114.5 | L231 F232 S238 Y239 F254 F297 L301 | L231-F236 HydrophobicContact CD1-CE2 4.47Å; L231-F236 HydrophobicContact CG-CE2 4.28Å; F232-F236 HydrophobicContact CD2-CB 3.63Å; F232-F236 HydrophobicContact CE2-CB 3.68Å; F232-F236 HydrophobicContact CG-CB 4.27Å; F232-F236 HydrophobicContact CZ-CB 4.34Å; F232-F236 WeakPolarHBondContact CZ-O 3.43Å; F232-F236 CarbonylContact O-C 3.49Å; F232-F236 WeakPolarHBondContact O-CA 3.37Å; F232-F236 PolarHBondContact O-N 2.64Å; F236-S238 PolarHBondContact O-N 3.2Å; F236-S238 VanDerWaalsContact O-N 3.14Å; F236-Y239 HydrophobicContact CB-CD2 4.22Å; F236-Y239 HydrophobicContact CD1-CD2 4.25Å; F236-Y239 HydrophobicContact CD1-CE2 4.27Å; F236-Y239 WeakPolarHBondContact O-CD2 3.38Å; F236-Y239 PolarHBondContact O-N 2.86Å; F236-F254 HydrophobicContact CD1-CE2 4.31Å; F236-F254 AromaticContact CE1-CE2 3.94Å; F236-F254 HydrophobicContact CE1-CE2 3.94Å; F236-F297 HydrophobicContact CB-CE1 3.95Å; F236-F297 AromaticContact CD1-CE1 3.95Å; F236-F297 HydrophobicContact CD1-CE1 3.95Å; F236-F297 HydrophobicContact CD1-CZ 4.22Å; F236-F297 HydrophobicContact CD2-CE1 4.41Å; F236-F297 AromaticContact CG-CE1 3.84Å; F236-F297 HydrophobicContact CG-CE1 3.84Å; F236-L301 HydrophobicContact CD2-CD1 4.15Å; F236-L301 HydrophobicContact CE1-CD1 4.43Å; F236-L301 HydrophobicContact CE2-CD1 3.58Å; F236-L301 HydrophobicContact CZ-CD1 3.74Å; F236-L301 HydrophobicContact CZ-CD2 4.49Å |
| 237 | F | 90.8 | Very high | 87.3 | Confident | 117 Ų | 117 | 65.3 Ų | 65.3 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -57.7 | -31.7 | -176.6 | -174.3 | -98.5 | 0 | 0 | 0 | 113.4 | F232 S233 Y239 S240 | F232-F237 PolarHBondContact O-N 3.11Å; S233-F237 WeakPolarHBondContact O-CB 3.15Å; F237-Y239 PolarHBondContact O-N 3.46Å; F237-Y239 VanDerWaalsContact O-N 3.15Å; F237-S240 PolarHBondContact O-N 2.89Å; F237-S240 VanDerWaalsContact O-N 3.12Å; F237-S240 VanDerWaalsContact O-O 3.07Å |
| 238 | S | 92.6 | Very high | 88.1 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 54% | 0.538 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -62.4 | -18.8 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | F236 S240 | F236-S238 PolarHBondContact O-N 3.2Å; F236-S238 VanDerWaalsContact O-N 3.14Å; S238-S240 VanDerWaalsContact C-N 3.33Å |
| 239 | Y | 93.9 | Very high | 89 | Confident | 10 Ų | 10 | 64 Ų | 64 | 4% | 0.039 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -91.1 | 9.8 | 177.8 | -55.9 | -78.5 | 0 | 0 | 0 | 113.3 | F236 F237 K250 H253 F254 E258 | F236-Y239 HydrophobicContact CB-CD2 4.22Å; F236-Y239 HydrophobicContact CD1-CD2 4.25Å; F236-Y239 HydrophobicContact CD1-CE2 4.27Å; F236-Y239 WeakPolarHBondContact O-CD2 3.38Å; F236-Y239 PolarHBondContact O-N 2.86Å; F237-Y239 PolarHBondContact O-N 3.46Å; F237-Y239 VanDerWaalsContact O-N 3.15Å; Y239-K250 WeakPolarHBondContact CD1-O 3.28Å; Y239-K250 WeakPolarHBondContact O-CB 3.15Å; Y239-K250 WeakPolarHBondContact O-CG 3.39Å; Y239-H253 HydrophobicContact CD1-CB 4.49Å; Y239-H253 AromaticContact CD1-ND1 3.82Å; Y239-H253 HydrophobicContact CE1-CB 4.43Å; Y239-H253 AromaticContact CE1-ND1 3.23Å; Y239-H253 WeakPolarHBondContact CE1-ND1 3.2Å; Y239-F254 HydrophobicContact CD1-CB 3.71Å; Y239-F254 VanDerWaalsContact CE1-CA 3.42Å; Y239-F254 HydrophobicContact CE1-CB 3.72Å; Y239-F254 HydrophobicContact CE1-CD2 4.46Å; Y239-F254 HydrophobicContact CE2-CD2 4.28Å; Y239-F254 HydrophobicContact CG-CB 4.27Å; Y239-E258 HydrophobicContact CE2-CG 4.3Å; Y239-E258 WeakPolarHBondContact OH-CG 3.34Å; Y239-E258 PolarHBondContact OH-OE1 3.3Å |
| 240 | S | 94.2 | Very high | 90.1 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | trans | -137 | 132.7 | 174 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | F237 S238 D242 G243 Q244 I245 | F237-S240 PolarHBondContact O-N 2.89Å; F237-S240 VanDerWaalsContact O-N 3.12Å; F237-S240 VanDerWaalsContact O-O 3.07Å; S238-S240 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact OG-OD1 3.33Å; S240-D242 VanDerWaalsContact OG-OD1 3.13Å; S240-G243 WeakPolarHBondContact OG-CA 3.28Å; S240-G243 PolarHBondContact OG-N 3.34Å; S240-Q244 PolarHBondContact OG-N 2.94Å; S240-I245 WeakPolarHBondContact CA-O 3.16Å; S240-I245 WeakPolarHBondContact CB-O 3.17Å; S240-I245 PolarHBondContact OG-O 3.18Å | ||
| 241 | E | 91 | Very high | 90.7 | Very high | 148 Ų | 148 | 59.8 Ų | 59.8 | 69% | 0.692 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -84.1 | -32.6 | 179.5 | -66.1 | 177.3 | -178.7 | 0 | 0 | 111.9 | K250 | E241-K250 WeakPolarHBondContact OE1-CE 3.41Š|
| 242 | D | 90.5 | Very high | 91.3 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -107.1 | -4.2 | -177.7 | 63.2 | -1.9 | 0 | 0 | 0 | 113.3 | S240 Q244 I245 | S240-D242 PolarHBondContact OG-OD1 3.33Å; S240-D242 VanDerWaalsContact OG-OD1 3.13Å; D242-Q244 PolarHBondContact O-N 3.21Å; D242-Q244 PolarHBondContact OD1-N 3.28Å; D242-I245 PolarHBondContact OD1-N 3.1Å |
| 243 | G | 87.3 | Confident | 91.7 | Very high | 21 Ų | 21 | 60.4 Ų | 60.4 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 70.2 | 9.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S240 V294 | S240-G243 WeakPolarHBondContact OG-CA 3.28Å; S240-G243 PolarHBondContact OG-N 3.34Å; G243-V294 WeakPolarHBondContact O-CG2 3.36Å |
| 244 | Q | 88.2 | Confident | 92.1 | Very high | 133 Ų | 133 | 57.5 Ų | 57.5 | 62% | 0.621 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -117.6 | -36.6 | -177.5 | -61.6 | -60.7 | -33.3 | 0 | 0 | 112.4 | S240 D242 S293 V294 | S240-Q244 PolarHBondContact OG-N 2.94Å; D242-Q244 PolarHBondContact O-N 3.21Å; D242-Q244 PolarHBondContact OD1-N 3.28Å; Q244-S293 CarbonylContact O-C 3.39Å; Q244-S293 WeakPolarHBondContact O-CA 3.12Å; Q244-V294 PolarHBondContact O-N 3.49Å |
| 245 | I | 91.4 | Very high | 92.4 | Very high | 53 Ų | 53 | 51.3 Ų | 51.3 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149 | -178.6 | 71.4 | 175.4 | 0 | 0 | 0 | 112.7 | S240 D242 Y291 L292 | S240-I245 WeakPolarHBondContact CA-O 3.16Å; S240-I245 WeakPolarHBondContact CB-O 3.17Å; S240-I245 PolarHBondContact OG-O 3.18Å; D242-I245 PolarHBondContact OD1-N 3.1Å; I245-Y291 HydrophobicContact CB-CD2 3.88Å; I245-Y291 HydrophobicContact CB-CE2 4.46Å; I245-Y291 HydrophobicContact CD1-CD2 4.39Å; I245-Y291 HydrophobicContact CD1-CG 4.46Å; I245-Y291 HydrophobicContact CG2-CD2 3.7Å; I245-Y291 HydrophobicContact CG2-CE2 3.76Å; I245-L292 CarbonylContact C-O 3.59Å; I245-L292 VanDerWaalsContact CA-O 3.31Å; I245-L292 WeakPolarHBondContact CA-O 3.28Å |
| 246 | V | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 101.1 | 163.6 | -177.3 | 0 | 0 | 0 | 0 | 106.3 | F232 K250 F251 L292 F297 | F232-V246 HydrophobicContact CE2-CG2 4.07Å; F232-V246 HydrophobicContact CZ-CG2 4.16Å; V246-K250 HydrophobicContact CG1-CB 3.95Å; V246-F251 HydrophobicContact CG1-CB 3.98Å; V246-L292 HydrophobicContact CB-CB 4.42Å; V246-L292 PolarHBondContact N-O 3.36Å; V246-L292 PolarHBondContact O-N 3.13Å; V246-F297 HydrophobicContact CB-CD2 4.39Å; V246-F297 HydrophobicContact CG1-CD2 4.2Å; V246-F297 HydrophobicContact CG2-CB 3.92Å; V246-F297 HydrophobicContact CG2-CD1 4.36Å; V246-F297 HydrophobicContact CG2-CD2 4.11Å; V246-F297 HydrophobicContact CG2-CG 3.86Å |
| 247 | N | 92.3 | Very high | 92.8 | Very high | 44 Ų | 44 | 56.6 Ų | 56.6 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 170.6 | 177.7 | 68.7 | 29.7 | 0 | 0 | 0 | 111.4 | E249 K250 F251 | N247-E249 VanDerWaalsContact C-N 3.3Å; N247-E249 PolarHBondContact O-N 3.07Å; N247-E249 PolarHBondContact OD1-N 3.04Å; N247-K250 PolarHBondContact O-N 2.68Å; N247-K250 WeakPolarHBondContact OD1-CG 3.34Å; N247-K250 PolarHBondContact OD1-N 3.08Å; N247-F251 WeakPolarHBondContact O-CB 3.47Å; N247-F251 PolarHBondContact O-N 2.77Å |
| 248 | L | 91.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -53 | -45.1 | -178.4 | -179.2 | 63.1 | 0 | 0 | 0 | 112.7 | F251 K252 C270 C271 L274 | L248-F251 PolarHBondContact O-N 2.89Å; L248-K252 HydrophobicContact CD1-CD 4.28Å; L248-K252 HydrophobicContact CD1-CG 4.44Å; L248-K252 HydrophobicContact CG-CD 3.98Å; L248-K252 WeakPolarHBondContact O-CB 3.25Å; L248-K252 WeakPolarHBondContact O-CD 3.48Å; L248-K252 VanDerWaalsContact O-CG 3.25Å; L248-K252 WeakPolarHBondContact O-CG 3.42Å; L248-K252 PolarHBondContact O-N 3Å; L248-C270 HydrophobicContact CD1-CB 4.16Å; L248-C271 HydrophobicContact CD1-CB 4.42Å; L248-C271 HydrophobicContact CD2-CB 4.19Å; L248-L274 HydrophobicContact CD1-CD1 3.87Å |
| 249 | E | 93.8 | Very high | 92.8 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | -179.8 | -68.4 | -50.9 | 126 | 0 | 0 | 112.7 | N247 K252 H253 | N247-E249 VanDerWaalsContact C-N 3.3Å; N247-E249 PolarHBondContact O-N 3.07Å; N247-E249 PolarHBondContact OD1-N 3.04Å; E249-K252 PolarHBondContact O-N 3.43Å; E249-K252 IonicContact OE1-NZ 3.08Å; E249-K252 PolarHBondContact OE1-NZ 3.45Å; E249-K252 IonicContact OE2-NZ 3.19Å; E249-K252 PolarHBondContact OE2-NZ 2.91Å; E249-H253 WeakPolarHBondContact O-CB 3.4Å; E249-H253 PolarHBondContact O-N 3.24Å |
| 250 | K | 95.5 | Very high | 92.6 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 176.4 | -65.2 | -61.8 | -174.1 | 171.9 | 0 | 112.2 | Y239 E241 V246 N247 H253 F254 | Y239-K250 WeakPolarHBondContact CD1-O 3.28Å; Y239-K250 WeakPolarHBondContact O-CB 3.15Å; Y239-K250 WeakPolarHBondContact O-CG 3.39Å; E241-K250 WeakPolarHBondContact OE1-CE 3.41Å; V246-K250 HydrophobicContact CG1-CB 3.95Å; N247-K250 PolarHBondContact O-N 2.68Å; N247-K250 WeakPolarHBondContact OD1-CG 3.34Å; N247-K250 PolarHBondContact OD1-N 3.08Å; K250-H253 WeakPolarHBondContact O-CB 3.34Å; K250-H253 PolarHBondContact O-N 2.92Å; K250-F254 PolarHBondContact O-N 2.91Å |
| 251 | F | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 174.5 | -175.6 | -110.9 | 0 | 0 | 0 | 111.6 | V246 N247 L248 H253 F254 L255 C270 F273 L274 L292 F297 Y300 | V246-F251 HydrophobicContact CG1-CB 3.98Å; N247-F251 WeakPolarHBondContact O-CB 3.47Å; N247-F251 PolarHBondContact O-N 2.77Å; L248-F251 PolarHBondContact O-N 2.89Å; F251-H253 VanDerWaalsContact C-N 3.31Å; F251-H253 PolarHBondContact O-N 2.97Å; F251-F254 HydrophobicContact CE2-CD1 4.44Å; F251-F254 WeakPolarHBondContact O-CB 3.3Å; F251-F254 PolarHBondContact O-N 3.46Å; F251-F254 VanDerWaalsContact O-N 3.16Å; F251-L255 HydrophobicContact CD1-CD1 3.93Å; F251-L255 HydrophobicContact CD1-CG 4.49Å; F251-L255 HydrophobicContact CE1-CD1 3.53Å; F251-L255 HydrophobicContact CE1-CG 4.13Å; F251-L255 HydrophobicContact CZ-CD1 4.02Å; F251-L255 HydrophobicContact CZ-CD2 4.15Å; F251-L255 HydrophobicContact CZ-CG 4.18Å; F251-L255 WeakPolarHBondContact O-CG 3.29Å; F251-L255 PolarHBondContact O-N 3.36Å; F251-C270 VanDerWaalsContact CD1-SG 3.51Å; F251-F273 AromaticContact CE1-CD1 3.95Å; F251-F273 HydrophobicContact CE1-CD1 3.95Å; F251-F273 HydrophobicContact CE1-CE1 4.14Å; F251-F273 HydrophobicContact CZ-CD1 4.23Å; F251-F273 AromaticContact CZ-CE1 3.93Å; F251-F273 HydrophobicContact CZ-CE1 3.93Å; F251-L274 HydrophobicContact CB-CD1 4.4Å; F251-L274 HydrophobicContact CD1-CD1 3.77Å; F251-L274 HydrophobicContact CD1-CD2 3.7Å; F251-L274 HydrophobicContact CD1-CG 3.82Å; F251-L274 HydrophobicContact CE1-CD1 4.38Å; F251-L274 HydrophobicContact CE1-CD2 3.55Å; F251-L274 HydrophobicContact CE1-CG 3.92Å; F251-L274 HydrophobicContact CE2-CD2 4.41Å; F251-L274 HydrophobicContact CG-CD1 4.24Å; F251-L274 HydrophobicContact CG-CD2 4.2Å; F251-L274 HydrophobicContact CZ-CD2 3.95Å; F251-L292 HydrophobicContact CD2-CD1 3.83Å; F251-L292 HydrophobicContact CE2-CD1 3.9Å; F251-F297 HydrophobicContact CD2-CD2 4.22Å; F251-F297 HydrophobicContact CD2-CE2 4.19Å; F251-F297 HydrophobicContact CE2-CE2 4.47Å; F251-Y300 AromaticContact CE2-CD1 3.9Å; F251-Y300 HydrophobicContact CE2-CD1 3.9Å; F251-Y300 AromaticContact CE2-CE1 3.72Å; F251-Y300 HydrophobicContact CE2-CE1 3.72Å; F251-Y300 HydrophobicContact CE2-CE2 4.37Å; F251-Y300 HydrophobicContact CE2-CG 4.32Å; F251-Y300 AromaticContact CE2-CZ 3.96Å; F251-Y300 HydrophobicContact CZ-CD1 4.46Å; F251-Y300 HydrophobicContact CZ-CD2 4.46Å; F251-Y300 HydrophobicContact CZ-CE1 4.03Å; F251-Y300 HydrophobicContact CZ-CE2 4Å; F251-Y300 AromaticContact CZ-CZ 3.76Å |
| 252 | K | 95.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.6 | -45 | 170.5 | -73 | 162.5 | 59.6 | -163.9 | 0 | 111.6 | L248 E249 F254 L255 R256 G264 D267 C270 | L248-K252 HydrophobicContact CD1-CD 4.28Å; L248-K252 HydrophobicContact CD1-CG 4.44Å; L248-K252 HydrophobicContact CG-CD 3.98Å; L248-K252 WeakPolarHBondContact O-CB 3.25Å; L248-K252 WeakPolarHBondContact O-CD 3.48Å; L248-K252 VanDerWaalsContact O-CG 3.25Å; L248-K252 WeakPolarHBondContact O-CG 3.42Å; L248-K252 PolarHBondContact O-N 3Å; E249-K252 PolarHBondContact O-N 3.43Å; E249-K252 IonicContact OE1-NZ 3.08Å; E249-K252 PolarHBondContact OE1-NZ 3.45Å; E249-K252 IonicContact OE2-NZ 3.19Å; E249-K252 PolarHBondContact OE2-NZ 2.91Å; K252-F254 VanDerWaalsContact C-N 3.33Å; K252-F254 PolarHBondContact O-N 3.45Å; K252-L255 PolarHBondContact O-N 3.1Å; K252-R256 VanDerWaalsContact CE-NH2 3.32Å; K252-R256 VanDerWaalsContact O-CG 3.3Å; K252-R256 WeakPolarHBondContact O-CG 3.29Å; K252-R256 PolarHBondContact O-N 2.91Å; K252-G264 WeakPolarHBondContact CB-O 3.37Å; K252-D267 WeakPolarHBondContact CE-OD1 3.24Å; K252-D267 IonicContact NZ-OD1 2.89Å; K252-D267 PolarHBondContact NZ-OD1 3.48Å; K252-D267 IonicContact NZ-OD2 2.82Å; K252-D267 PolarHBondContact NZ-OD2 3Å; K252-C270 HydrophobicContact CG-CB 3.99Å; K252-C270 VanDerWaalsContact CG-SG 3.54Å |
| 253 | H | 95.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 63.8 Ų | 63.8 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.2 | -170.8 | -93.9 | 0 | 0 | 0 | 111.5 | Y239 E249 K250 F251 R256 W257 | Y239-H253 HydrophobicContact CD1-CB 4.49Å; Y239-H253 AromaticContact CD1-ND1 3.82Å; Y239-H253 HydrophobicContact CE1-CB 4.43Å; Y239-H253 AromaticContact CE1-ND1 3.23Å; Y239-H253 WeakPolarHBondContact CE1-ND1 3.2Å; E249-H253 WeakPolarHBondContact O-CB 3.4Å; E249-H253 PolarHBondContact O-N 3.24Å; K250-H253 WeakPolarHBondContact O-CB 3.34Å; K250-H253 PolarHBondContact O-N 2.92Å; F251-H253 VanDerWaalsContact C-N 3.31Å; F251-H253 PolarHBondContact O-N 2.97Å; H253-R256 PolarHBondContact O-N 3.33Å; H253-W257 AromaticContact CD2-CD1 3.24Å; H253-W257 AromaticContact CD2-NE1 3.31Å; H253-W257 PolarHBondContact CD2-NE1 2.89Å; H253-W257 VanDerWaalsContact CD2-NE1 3.31Å; H253-W257 AromaticContact CE1-CD1 3.44Å; H253-W257 VanDerWaalsContact CE1-CD1 3.44Å; H253-W257 AromaticContact CE1-NE1 3.94Å; H253-W257 AromaticContact CG-CD1 3.58Å; H253-W257 AromaticContact ND1-CD1 3.72Å; H253-W257 AromaticContact NE2-CD1 3.17Å; H253-W257 AromaticContact NE2-NE1 3.2Å; H253-W257 PolarHBondContact NE2-NE1 2.88Å; H253-W257 WeakPolarHBondContact O-CB 3.45Å; H253-W257 PolarHBondContact O-N 2.81Å |
| 254 | F | 95.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 174 | 169.5 | -96.4 | 0 | 0 | 0 | 111.9 | F236 Y239 K250 F251 K252 R256 W257 E258 Q259 F297 Y300 L301 | F236-F254 HydrophobicContact CD1-CE2 4.31Å; F236-F254 AromaticContact CE1-CE2 3.94Å; F236-F254 HydrophobicContact CE1-CE2 3.94Å; Y239-F254 HydrophobicContact CD1-CB 3.71Å; Y239-F254 VanDerWaalsContact CE1-CA 3.42Å; Y239-F254 HydrophobicContact CE1-CB 3.72Å; Y239-F254 HydrophobicContact CE1-CD2 4.46Å; Y239-F254 HydrophobicContact CE2-CD2 4.28Å; Y239-F254 HydrophobicContact CG-CB 4.27Å; K250-F254 PolarHBondContact O-N 2.91Å; F251-F254 HydrophobicContact CE2-CD1 4.44Å; F251-F254 WeakPolarHBondContact O-CB 3.3Å; F251-F254 PolarHBondContact O-N 3.46Å; F251-F254 VanDerWaalsContact O-N 3.16Å; K252-F254 VanDerWaalsContact C-N 3.33Å; K252-F254 PolarHBondContact O-N 3.45Å; F254-R256 PolarHBondContact O-N 3.16Å; F254-W257 PolarHBondContact O-N 3Å; F254-E258 HydrophobicContact CD2-CB 3.77Å; F254-E258 HydrophobicContact CD2-CG 3.64Å; F254-E258 HydrophobicContact CE2-CB 3.66Å; F254-E258 HydrophobicContact CE2-CG 3.88Å; F254-E258 HydrophobicContact CZ-CB 4.33Å; F254-E258 WeakPolarHBondContact O-CA 3.35Å; F254-E258 VanDerWaalsContact O-CB 3.28Å; F254-E258 WeakPolarHBondContact O-CB 3.3Å; F254-E258 PolarHBondContact O-N 3.47Å; F254-Q259 HydrophobicContact CD1-CG 4.28Å; F254-Q259 HydrophobicContact CE1-CG 3.54Å; F254-Q259 HydrophobicContact CZ-CG 3.84Å; F254-Q259 PolarHBondContact O-N 3.2Å; F254-F297 HydrophobicContact CB-CE2 4.43Å; F254-F297 AromaticContact CD1-CE2 3.91Å; F254-F297 HydrophobicContact CD1-CE2 3.91Å; F254-F297 HydrophobicContact CD1-CZ 4.2Å; F254-F297 HydrophobicContact CD2-CE2 4.2Å; F254-F297 AromaticContact CD2-CZ 3.7Å; F254-F297 HydrophobicContact CD2-CZ 3.7Å; F254-F297 HydrophobicContact CE1-CE2 4.25Å; F254-F297 HydrophobicContact CE1-CZ 4.35Å; F254-F297 HydrophobicContact CE2-CE2 4.5Å; F254-F297 AromaticContact CE2-CZ 3.85Å; F254-F297 HydrophobicContact CE2-CZ 3.85Å; F254-F297 AromaticContact CG-CE2 3.9Å; F254-F297 HydrophobicContact CG-CE2 3.9Å; F254-F297 AromaticContact CG-CZ 3.89Å; F254-F297 HydrophobicContact CG-CZ 3.89Å; F254-F297 HydrophobicContact CZ-CZ 4.18Å; F254-Y300 AromaticContact CE1-CE1 3.92Å; F254-Y300 HydrophobicContact CE1-CE1 3.92Å; F254-L301 HydrophobicContact CE1-CD2 4.29Å; F254-L301 HydrophobicContact CE2-CD2 4.1Å; F254-L301 HydrophobicContact CZ-CD2 3.56Å |
| 255 | L | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -59.8 | -46.9 | 179.2 | -68.9 | 172 | 0 | 0 | 0 | 112.4 | F251 K252 Q259 K260 D261 M263 | F251-L255 HydrophobicContact CD1-CD1 3.93Å; F251-L255 HydrophobicContact CD1-CG 4.49Å; F251-L255 HydrophobicContact CE1-CD1 3.53Å; F251-L255 HydrophobicContact CE1-CG 4.13Å; F251-L255 HydrophobicContact CZ-CD1 4.02Å; F251-L255 HydrophobicContact CZ-CD2 4.15Å; F251-L255 HydrophobicContact CZ-CG 4.18Å; F251-L255 WeakPolarHBondContact O-CG 3.29Å; F251-L255 PolarHBondContact O-N 3.36Å; K252-L255 PolarHBondContact O-N 3.1Å; L255-Q259 HydrophobicContact CD2-CB 4.49Å; L255-Q259 HydrophobicContact CD2-CG 4.26Å; L255-Q259 CarbonylContact O-C 3.49Å; L255-Q259 WeakPolarHBondContact O-CA 3.32Å; L255-Q259 WeakPolarHBondContact O-CB 3.31Å; L255-Q259 PolarHBondContact O-N 3.49Å; L255-K260 PolarHBondContact O-N 3.28Å; L255-D261 HydrophobicContact CB-CB 4.29Å; L255-D261 HydrophobicContact CD2-CB 4.38Å; L255-D261 PolarHBondContact O-N 3.12Å; L255-M263 HydrophobicContact CD1-CE 3.59Å; L255-M263 HydrophobicContact CD2-CE 4.32Å |
| 256 | R | 93.5 | Very high | 92.7 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -64.6 | -46.9 | -180 | -66 | 170.3 | -165 | -152.7 | 4.4 | 112.5 | K252 H253 F254 K260 G264 E265 | K252-R256 VanDerWaalsContact CE-NH2 3.32Å; K252-R256 VanDerWaalsContact O-CG 3.3Å; K252-R256 WeakPolarHBondContact O-CG 3.29Å; K252-R256 PolarHBondContact O-N 2.91Å; H253-R256 PolarHBondContact O-N 3.33Å; F254-R256 PolarHBondContact O-N 3.16Å; R256-K260 WeakPolarHBondContact O-CD 3.47Å; R256-G264 PolarHBondContact NE-O 2.83Å; R256-G264 PolarHBondContact NH2-O 3.14Å; R256-E265 WeakPolarHBondContact CD-OE1 3.37Å; R256-E265 HydrophobicContact CG-CG 4.34Å; R256-E265 VanDerWaalsContact CG-OE1 3.29Å; R256-E265 WeakPolarHBondContact CG-OE1 3.08Å; R256-E265 IonicContact CZ-OE1 3.54Å; R256-E265 IonicContact CZ-OE2 3Å; R256-E265 IonicContact NE-OE1 2.69Å; R256-E265 IonicContact NE-OE2 3.21Å; R256-E265 IonicContact NH1-OE1 3.97Å; R256-E265 IonicContact NH1-OE2 2.74Å; R256-E265 PolarHBondContact NH1-OE2 3.15Å; R256-E265 IonicContact NH2-OE2 3.74Å |
| 257 | W | 92.8 | Very high | 92.6 | Very high | 148 Ų | 148 | 66.3 Ų | 66.3 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -90.4 | -41.8 | -167.6 | -69.4 | 103.2 | 0 | 0 | 0 | 113.1 | H253 F254 K260 | H253-W257 AromaticContact CD2-CD1 3.24Å; H253-W257 AromaticContact CD2-NE1 3.31Å; H253-W257 PolarHBondContact CD2-NE1 2.89Å; H253-W257 VanDerWaalsContact CD2-NE1 3.31Å; H253-W257 AromaticContact CE1-CD1 3.44Å; H253-W257 VanDerWaalsContact CE1-CD1 3.44Å; H253-W257 AromaticContact CE1-NE1 3.94Å; H253-W257 AromaticContact CG-CD1 3.58Å; H253-W257 AromaticContact ND1-CD1 3.72Å; H253-W257 AromaticContact NE2-CD1 3.17Å; H253-W257 AromaticContact NE2-NE1 3.2Å; H253-W257 PolarHBondContact NE2-NE1 2.88Å; H253-W257 WeakPolarHBondContact O-CB 3.45Å; H253-W257 PolarHBondContact O-N 2.81Å; F254-W257 PolarHBondContact O-N 3Å; W257-K260 WeakPolarHBondContact O-CE 3.1Å; W257-K260 PolarHBondContact O-NZ 3.12Å |
| 258 | E | 91.9 | Very high | 92.5 | Very high | 105 Ų | 105 | 71 Ų | 71 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | I | π-helix | trans | -91.6 | -46.8 | -177.1 | -57.9 | -59.8 | 144.2 | 0 | 0 | 111.8 | Y239 F254 | Y239-E258 HydrophobicContact CE2-CG 4.3Å; Y239-E258 WeakPolarHBondContact OH-CG 3.34Å; Y239-E258 PolarHBondContact OH-OE1 3.3Å; F254-E258 HydrophobicContact CD2-CB 3.77Å; F254-E258 HydrophobicContact CD2-CG 3.64Å; F254-E258 HydrophobicContact CE2-CB 3.66Å; F254-E258 HydrophobicContact CE2-CG 3.88Å; F254-E258 HydrophobicContact CZ-CB 4.33Å; F254-E258 WeakPolarHBondContact O-CA 3.35Å; F254-E258 VanDerWaalsContact O-CB 3.28Å; F254-E258 WeakPolarHBondContact O-CB 3.3Å; F254-E258 PolarHBondContact O-N 3.47Å |
| 259 | Q | 90.2 | Very high | 92.4 | Very high | 86 Ų | 86 | 74.9 Ų | 74.9 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | I | π-helix | trans | -88.3 | -16.8 | -177.2 | -58.8 | -59.8 | -76.1 | 0 | 0 | 113.7 | F254 L255 D261 N306 | F254-Q259 HydrophobicContact CD1-CG 4.28Å; F254-Q259 HydrophobicContact CE1-CG 3.54Å; F254-Q259 HydrophobicContact CZ-CG 3.84Å; F254-Q259 PolarHBondContact O-N 3.2Å; L255-Q259 HydrophobicContact CD2-CB 4.49Å; L255-Q259 HydrophobicContact CD2-CG 4.26Å; L255-Q259 CarbonylContact O-C 3.49Å; L255-Q259 WeakPolarHBondContact O-CA 3.32Å; L255-Q259 WeakPolarHBondContact O-CB 3.31Å; L255-Q259 PolarHBondContact O-N 3.49Å; Q259-D261 HydrophobicContact CB-CB 4.06Å; Q259-D261 PolarHBondContact O-N 3.43Å; Q259-N306 PolarHBondContact OE1-OD1 3.11Å |
| 260 | K | 90.2 | Very high | 92.3 | Very high | 150 Ų | 150 | 69.9 Ų | 69.9 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | trans | 54.7 | 33.4 | -169.5 | -53.2 | -54 | -171.8 | -159.4 | 0 | 112.5 | L255 R256 W257 | L255-K260 PolarHBondContact O-N 3.28Å; R256-K260 WeakPolarHBondContact O-CD 3.47Å; W257-K260 WeakPolarHBondContact O-CE 3.1Å; W257-K260 PolarHBondContact O-NZ 3.12Å | ||
| 261 | D | 89.6 | Confident | 92.1 | Very high | 64 Ų | 64 | 68 Ų | 68 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | trans | -92.2 | 123.7 | -177.7 | -174.1 | -17.6 | 0 | 0 | 0 | 110.6 | L255 Q259 M263 G264 | L255-D261 HydrophobicContact CB-CB 4.29Å; L255-D261 HydrophobicContact CD2-CB 4.38Å; L255-D261 PolarHBondContact O-N 3.12Å; Q259-D261 HydrophobicContact CB-CB 4.06Å; Q259-D261 PolarHBondContact O-N 3.43Å; D261-M263 PolarHBondContact O-N 3.18Å; D261-M263 WeakPolarHBondContact OD1-CB 3.36Å; D261-M263 PolarHBondContact OD1-N 3.04Å; D261-G264 PolarHBondContact O-N 2.71Å | ||
| 262 | E | 89.5 | Confident | 91.9 | Very high | 168 Ų | 168 | 71.8 Ų | 71.8 | 79% | 0.785 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -62.7 | -23.3 | 179.5 | -63.9 | -172.8 | 169.5 | 0 | 0 | 113.1 | G264 E265 | E262-G264 PolarHBondContact O-N 3.09Å; E262-G264 VanDerWaalsContact O-N 3.11Å; E262-E265 WeakPolarHBondContact O-CB 3.49Å; E262-E265 PolarHBondContact O-N 3.49Å |
| 263 | M | 91.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 73.7 Ų | 73.7 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -56.2 | -29.4 | 172.4 | -178.7 | 175.2 | 60.7 | 0 | 0 | 111.2 | L255 D261 E265 N266 Q269 C270 F273 | L255-M263 HydrophobicContact CD1-CE 3.59Å; L255-M263 HydrophobicContact CD2-CE 4.32Å; D261-M263 PolarHBondContact O-N 3.18Å; D261-M263 WeakPolarHBondContact OD1-CB 3.36Å; D261-M263 PolarHBondContact OD1-N 3.04Å; M263-E265 PolarHBondContact O-N 3.11Å; M263-N266 PolarHBondContact O-N 2.97Å; M263-N266 VanDerWaalsContact O-N 3.13Å; M263-Q269 HydrophobicContact CG-CB 4.15Å; M263-C270 HydrophobicContact CG-CB 4.23Å; M263-F273 HydrophobicContact CE-CB 4.22Å; M263-F273 HydrophobicContact CE-CD1 3.99Å; M263-F273 HydrophobicContact CE-CD2 4.08Å; M263-F273 HydrophobicContact CE-CE1 4.49Å; M263-F273 HydrophobicContact CE-CG 3.8Å; M263-F273 HydrophobicContact SD-CB 3.58Å; M263-F273 VanDerWaalsContact SD-CB 3.58Å; M263-F273 HydrophobicContact SD-CD1 4.47Å; M263-F273 HydrophobicContact SD-CD2 4.06Å; M263-F273 HydrophobicContact SD-CG 3.77Å |
| 264 | G | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -58.3 | -31.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K252 R256 D261 E262 N266 | K252-G264 WeakPolarHBondContact CB-O 3.37Å; R256-G264 PolarHBondContact NE-O 2.83Å; R256-G264 PolarHBondContact NH2-O 3.14Å; D261-G264 PolarHBondContact O-N 2.71Å; E262-G264 PolarHBondContact O-N 3.09Å; E262-G264 VanDerWaalsContact O-N 3.11Å; G264-N266 VanDerWaalsContact C-N 3.34Å |
| 265 | E | 92.6 | Very high | 91.1 | Very high | 120 Ų | 120 | 73.3 Ų | 73.3 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -78.4 | -14.5 | 179.2 | -60.9 | -61.9 | 156.7 | 0 | 0 | 113.7 | R256 E262 M263 | R256-E265 WeakPolarHBondContact CD-OE1 3.37Å; R256-E265 HydrophobicContact CG-CG 4.34Å; R256-E265 VanDerWaalsContact CG-OE1 3.29Å; R256-E265 WeakPolarHBondContact CG-OE1 3.08Å; R256-E265 IonicContact CZ-OE1 3.54Å; R256-E265 IonicContact CZ-OE2 3Å; R256-E265 IonicContact NE-OE1 2.69Å; R256-E265 IonicContact NE-OE2 3.21Å; R256-E265 IonicContact NH1-OE1 3.97Å; R256-E265 IonicContact NH1-OE2 2.74Å; R256-E265 PolarHBondContact NH1-OE2 3.15Å; R256-E265 IonicContact NH2-OE2 3.74Å; E262-E265 WeakPolarHBondContact O-CB 3.49Å; E262-E265 PolarHBondContact O-N 3.49Å; M263-E265 PolarHBondContact O-N 3.11Å |
| 266 | N | 91.3 | Very high | 90.7 | Very high | 58 Ų | 58 | 76.9 Ų | 76.9 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | trans | -113.3 | 105.6 | -176 | -172.5 | -38.7 | 0 | 0 | 0 | 112.3 | M263 G264 E268 Q269 C270 | M263-N266 PolarHBondContact O-N 2.97Å; M263-N266 VanDerWaalsContact O-N 3.13Å; G264-N266 VanDerWaalsContact C-N 3.34Å; N266-E268 PolarHBondContact O-N 3.08Å; N266-E268 PolarHBondContact OD1-N 3.12Å; N266-E268 VanDerWaalsContact OD1-N 3.12Å; N266-Q269 HydrophobicContact CB-CB 4.04Å; N266-Q269 HydrophobicContact CB-CG 4.22Å; N266-Q269 PolarHBondContact O-N 3.03Å; N266-Q269 PolarHBondContact OD1-N 2.98Å; N266-C270 VanDerWaalsContact O-CB 3.31Å; N266-C270 WeakPolarHBondContact O-CB 3.06Å; N266-C270 PolarHBondContact O-N 3.39Å | ||
| 267 | D | 89.9 | Confident | 90.6 | Very high | 82 Ų | 82 | 73.8 Ų | 73.8 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.7 | -43.2 | -177.8 | -68.6 | 18.3 | 0 | 0 | 0 | 113.1 | K252 C271 | K252-D267 WeakPolarHBondContact CE-OD1 3.24Å; K252-D267 IonicContact NZ-OD1 2.89Å; K252-D267 PolarHBondContact NZ-OD1 3.48Å; K252-D267 IonicContact NZ-OD2 2.82Å; K252-D267 PolarHBondContact NZ-OD2 3Å; D267-C271 WeakPolarHBondContact O-CB 3.47Å; D267-C271 PolarHBondContact O-N 3.37Å |
| 268 | E | 90.3 | Very high | 90.3 | Very high | 142 Ų | 142 | 67.3 Ų | 67.3 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.1 | -46.9 | -177.6 | -173.5 | -179.6 | -179.6 | 0 | 0 | 110.9 | N266 C271 L272 | N266-E268 PolarHBondContact O-N 3.08Å; N266-E268 PolarHBondContact OD1-N 3.12Å; N266-E268 VanDerWaalsContact OD1-N 3.12Å; E268-C271 PolarHBondContact O-N 3.13Å; E268-L272 HydrophobicContact CG-CD1 4.09Å; E268-L272 WeakPolarHBondContact O-CB 3.28Å; E268-L272 VanDerWaalsContact O-CG 3.25Å; E268-L272 WeakPolarHBondContact O-CG 3.32Å; E268-L272 PolarHBondContact O-N 3.26Å |
| 269 | Q | 90.9 | Very high | 89.9 | Confident | 106 Ų | 106 | 69.3 Ų | 69.3 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 178.4 | -71.9 | -179 | -7.5 | 0 | 0 | 111.6 | M263 N266 L272 F273 | M263-Q269 HydrophobicContact CG-CB 4.15Å; N266-Q269 HydrophobicContact CB-CB 4.04Å; N266-Q269 HydrophobicContact CB-CG 4.22Å; N266-Q269 PolarHBondContact O-N 3.03Å; N266-Q269 PolarHBondContact OD1-N 2.98Å; Q269-L272 PolarHBondContact O-N 2.87Å; Q269-F273 VanDerWaalsContact O-CB 3.32Å; Q269-F273 WeakPolarHBondContact O-CB 3.34Å; Q269-F273 PolarHBondContact O-N 2.76Å |
| 270 | C | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 179 | -168.3 | 0 | 0 | 0 | 0 | 112 | L248 F251 K252 M263 N266 F273 L274 | L248-C270 HydrophobicContact CD1-CB 4.16Å; F251-C270 VanDerWaalsContact CD1-SG 3.51Å; K252-C270 HydrophobicContact CG-CB 3.99Å; K252-C270 VanDerWaalsContact CG-SG 3.54Å; M263-C270 HydrophobicContact CG-CB 4.23Å; N266-C270 VanDerWaalsContact O-CB 3.31Å; N266-C270 WeakPolarHBondContact O-CB 3.06Å; N266-C270 PolarHBondContact O-N 3.39Å; C270-F273 WeakPolarHBondContact O-CB 3.44Å; C270-F273 PolarHBondContact O-N 2.82Å; C270-L274 PolarHBondContact O-N 3.41Å |
| 271 | C | 91.4 | Very high | 88.4 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 10% | 0.095 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | L248 D267 E268 F273 L274 R275 P290 | L248-C271 HydrophobicContact CD1-CB 4.42Å; L248-C271 HydrophobicContact CD2-CB 4.19Å; D267-C271 WeakPolarHBondContact O-CB 3.47Å; D267-C271 PolarHBondContact O-N 3.37Å; E268-C271 PolarHBondContact O-N 3.13Å; C271-F273 VanDerWaalsContact C-N 3.32Å; C271-F273 PolarHBondContact O-N 3.17Å; C271-L274 PolarHBondContact O-N 2.82Å; C271-R275 WeakPolarHBondContact O-CB 3.15Å; C271-R275 VanDerWaalsContact O-CG 3.32Å; C271-R275 WeakPolarHBondContact O-CG 3.42Å; C271-R275 PolarHBondContact O-N 2.94Å; C271-P290 HydrophobicContact CB-CG 4.36Å; C271-P290 WeakPolarHBondContact SG-CD 3.27Å |
| 272 | L | 89.8 | Confident | 87 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 175.4 | -73.5 | 172.4 | 0 | 0 | 0 | 111.9 | E268 Q269 R275 N276 | E268-L272 HydrophobicContact CG-CD1 4.09Å; E268-L272 WeakPolarHBondContact O-CB 3.28Å; E268-L272 VanDerWaalsContact O-CG 3.25Å; E268-L272 WeakPolarHBondContact O-CG 3.32Å; E268-L272 PolarHBondContact O-N 3.26Å; Q269-L272 PolarHBondContact O-N 2.87Å; L272-R275 PolarHBondContact O-N 2.86Å; L272-N276 WeakPolarHBondContact O-CB 3.48Å; L272-N276 PolarHBondContact O-N 3.1Å; L272-N276 PolarHBondContact O-ND2 3.15Å |
| 273 | F | 90.6 | Very high | 85.2 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 20% | 0.197 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.7 | -54.4 | 175.6 | 175.3 | -92 | 0 | 0 | 0 | 111.3 | F251 M263 Q269 C270 C271 R275 N276 Y277 Y300 E305 | F251-F273 AromaticContact CE1-CD1 3.95Å; F251-F273 HydrophobicContact CE1-CD1 3.95Å; F251-F273 HydrophobicContact CE1-CE1 4.14Å; F251-F273 HydrophobicContact CZ-CD1 4.23Å; F251-F273 AromaticContact CZ-CE1 3.93Å; F251-F273 HydrophobicContact CZ-CE1 3.93Å; M263-F273 HydrophobicContact CE-CB 4.22Å; M263-F273 HydrophobicContact CE-CD1 3.99Å; M263-F273 HydrophobicContact CE-CD2 4.08Å; M263-F273 HydrophobicContact CE-CE1 4.49Å; M263-F273 HydrophobicContact CE-CG 3.8Å; M263-F273 HydrophobicContact SD-CB 3.58Å; M263-F273 VanDerWaalsContact SD-CB 3.58Å; M263-F273 HydrophobicContact SD-CD1 4.47Å; M263-F273 HydrophobicContact SD-CD2 4.06Å; M263-F273 HydrophobicContact SD-CG 3.77Å; Q269-F273 VanDerWaalsContact O-CB 3.32Å; Q269-F273 WeakPolarHBondContact O-CB 3.34Å; Q269-F273 PolarHBondContact O-N 2.76Å; C270-F273 WeakPolarHBondContact O-CB 3.44Å; C270-F273 PolarHBondContact O-N 2.82Å; C271-F273 VanDerWaalsContact C-N 3.32Å; C271-F273 PolarHBondContact O-N 3.17Å; F273-R275 VanDerWaalsContact C-N 3.34Å; F273-R275 PolarHBondContact O-N 2.85Å; F273-N276 PolarHBondContact O-N 3.27Å; F273-N276 VanDerWaalsContact O-N 3.11Å; F273-Y277 HydrophobicContact CZ-CD2 4.38Å; F273-Y277 WeakPolarHBondContact O-CB 3.44Å; F273-Y277 PolarHBondContact O-N 3.14Å; F273-Y300 HydrophobicContact CE1-CD2 4.22Å; F273-Y300 AromaticContact CE1-CE2 3.67Å; F273-Y300 HydrophobicContact CE1-CE2 3.67Å; F273-Y300 HydrophobicContact CZ-CD2 4.29Å; F273-Y300 AromaticContact CZ-CE2 3.62Å; F273-Y300 HydrophobicContact CZ-CE2 3.62Å; F273-E305 HydrophobicContact CE2-CB 4.05Å; F273-E305 HydrophobicContact CE2-CG 4.48Å; F273-E305 HydrophobicContact CZ-CB 3.83Å; F273-E305 HydrophobicContact CZ-CG 4.49Å |
| 274 | L | 90.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | -179.7 | -73.1 | -176.9 | 0 | 0 | 0 | 112.4 | L248 F251 C270 C271 N276 Y277 L278 P290 L292 | L248-L274 HydrophobicContact CD1-CD1 3.87Å; F251-L274 HydrophobicContact CB-CD1 4.4Å; F251-L274 HydrophobicContact CD1-CD1 3.77Å; F251-L274 HydrophobicContact CD1-CD2 3.7Å; F251-L274 HydrophobicContact CD1-CG 3.82Å; F251-L274 HydrophobicContact CE1-CD1 4.38Å; F251-L274 HydrophobicContact CE1-CD2 3.55Å; F251-L274 HydrophobicContact CE1-CG 3.92Å; F251-L274 HydrophobicContact CE2-CD2 4.41Å; F251-L274 HydrophobicContact CG-CD1 4.24Å; F251-L274 HydrophobicContact CG-CD2 4.2Å; F251-L274 HydrophobicContact CZ-CD2 3.95Å; C270-L274 PolarHBondContact O-N 3.41Å; C271-L274 PolarHBondContact O-N 2.82Å; L274-N276 VanDerWaalsContact C-N 3.31Å; L274-N276 PolarHBondContact O-N 3.02Å; L274-Y277 PolarHBondContact O-N 3.12Å; L274-L278 WeakPolarHBondContact O-CB 3.49Å; L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 3.38Å; L274-P290 HydrophobicContact CB-CB 3.84Å; L274-P290 HydrophobicContact CB-CG 3.91Å; L274-P290 HydrophobicContact CD1-CB 4.41Å; L274-P290 HydrophobicContact CD1-CG 4.27Å; L274-L292 HydrophobicContact CD2-CD1 3.85Å; L274-L292 HydrophobicContact CD2-CD2 3.97Å; L274-L292 HydrophobicContact CD2-CG 3.84Å |
| 275 | R | 88.6 | Confident | 81.9 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 174.6 | -76.9 | 168.5 | 163.2 | -175.5 | -14.9 | 112.2 | C271 L272 F273 R279 S287 D288 P290 | C271-R275 WeakPolarHBondContact O-CB 3.15Å; C271-R275 VanDerWaalsContact O-CG 3.32Å; C271-R275 WeakPolarHBondContact O-CG 3.42Å; C271-R275 PolarHBondContact O-N 2.94Å; L272-R275 PolarHBondContact O-N 2.86Å; F273-R275 VanDerWaalsContact C-N 3.34Å; F273-R275 PolarHBondContact O-N 2.85Å; R275-R279 PolarHBondContact O-N 3.14Å; R275-S287 PolarHBondContact NE-O 2.58Å; R275-S287 VanDerWaalsContact NH2-C 3.29Å; R275-S287 PolarHBondContact NH2-O 2.88Å; R275-D288 IonicContact CZ-OD1 3.43Å; R275-D288 IonicContact NH2-OD1 2.69Å; R275-D288 PolarHBondContact NH2-OD1 2.87Å; R275-P290 HydrophobicContact CG-CB 4.23Å; R275-P290 HydrophobicContact CG-CG 4.23Å |
| 276 | N | 87.7 | Confident | 80.1 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 40% | 0.401 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 177.3 | -72.8 | -25.2 | 0 | 0 | 0 | 112 | P159 L272 F273 L274 L278 R279 | P159-N276 WeakPolarHBondContact CG-O 3.25Å; L272-N276 WeakPolarHBondContact O-CB 3.48Å; L272-N276 PolarHBondContact O-N 3.1Å; L272-N276 PolarHBondContact O-ND2 3.15Å; F273-N276 PolarHBondContact O-N 3.27Å; F273-N276 VanDerWaalsContact O-N 3.11Å; L274-N276 VanDerWaalsContact C-N 3.31Å; L274-N276 PolarHBondContact O-N 3.02Å; N276-L278 PolarHBondContact O-N 3.45Å; N276-R279 WeakPolarHBondContact O-CB 3.41Å; N276-R279 PolarHBondContact O-N 2.79Å; N276-R279 PolarHBondContact OD1-NH2 3.32Å |
| 277 | Y | 89.5 | Confident | 78.9 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 2% | 0.02 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 178 | -174.5 | -102.4 | 0 | 0 | 0 | 112.2 | P159 H160 P161 F273 L274 R279 L292 Y300 S303 E305 | P159-Y277 VanDerWaalsContact CB-O 3.27Å; P159-Y277 WeakPolarHBondContact CB-O 3.48Å; H160-Y277 HydrophobicContact CB-CE2 4.24Å; P161-Y277 HydrophobicContact CG-CD1 3.94Å; P161-Y277 HydrophobicContact CG-CD2 4.44Å; P161-Y277 HydrophobicContact CG-CE1 3.36Å; P161-Y277 HydrophobicContact CG-CE2 3.96Å; P161-Y277 HydrophobicContact CG-CG 4.43Å; F273-Y277 HydrophobicContact CZ-CD2 4.38Å; F273-Y277 WeakPolarHBondContact O-CB 3.44Å; F273-Y277 PolarHBondContact O-N 3.14Å; L274-Y277 PolarHBondContact O-N 3.12Å; Y277-R279 VanDerWaalsContact C-N 3.3Å; Y277-R279 PolarHBondContact O-N 3.45Å; Y277-L292 HydrophobicContact CD1-CD2 4.1Å; Y277-L292 HydrophobicContact CE1-CD2 4.3Å; Y277-Y300 HydrophobicContact CE1-CD2 4.5Å; Y277-Y300 HydrophobicContact CE2-CD2 4.15Å; Y277-Y300 VanDerWaalsContact OH-CA 3.24Å; Y277-Y300 WeakPolarHBondContact OH-CA 3.32Å; Y277-Y300 PolarHBondContact OH-N 2.8Å; Y277-S303 WeakPolarHBondContact OH-CB 3.39Å; Y277-E305 HydrophobicContact CD2-CB 4.27Å; Y277-E305 HydrophobicContact CD2-CG 3.99Å; Y277-E305 HydrophobicContact CE2-CB 4.31Å; Y277-E305 HydrophobicContact CE2-CG 4.22Å |
| 278 | L | 87.5 | Confident | 78 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 1.6 | 179.2 | -65.4 | 171.8 | 0 | 0 | 0 | 114 | L274 N276 G280 L281 Y291 L292 E296 | L274-L278 WeakPolarHBondContact O-CB 3.49Å; L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 3.38Å; N276-L278 PolarHBondContact O-N 3.45Å; L278-G280 PolarHBondContact O-N 2.95Å; L278-L281 HydrophobicContact CD2-CD1 4.14Å; L278-L281 PolarHBondContact O-N 2.9Å; L278-Y291 WeakPolarHBondContact CD1-O 3.26Å; L278-L292 HydrophobicContact CD1-CD2 4.18Å; L278-L292 HydrophobicContact CD2-CD2 3.88Å; L278-L292 HydrophobicContact CG-CD2 4.16Å; L278-E296 HydrophobicContact CD2-CG 4.46Å |
| 279 | R | 83.6 | Confident | 77.6 | Confident | 147 Ų | 147 | 70.3 Ų | 70.3 | 56% | 0.555 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 128.1 | -175.1 | -172.3 | -168.4 | -61 | 172.8 | -1.1 | 111.2 | P159 R275 N276 Y277 | P159-R279 HydrophobicContact CG-CB 4.41Å; R275-R279 PolarHBondContact O-N 3.14Å; N276-R279 WeakPolarHBondContact O-CB 3.41Å; N276-R279 PolarHBondContact O-N 2.79Å; N276-R279 PolarHBondContact OD1-NH2 3.32Å; Y277-R279 VanDerWaalsContact C-N 3.3Å; Y277-R279 PolarHBondContact O-N 3.45Å |
| 280 | G | 74.6 | Confident | 77.5 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -0.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L278 G282 | L278-G280 PolarHBondContact O-N 2.95Å; G280-G282 VanDerWaalsContact C-N 3.32Å |
| 281 | L | 73.3 | Confident | 77.4 | Confident | 59 Ų | 59 | 69.4 Ų | 69.4 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -80.3 | -7.5 | 175.3 | -72.3 | 174.8 | 0 | 0 | 0 | 114.3 | P161 D165 L278 | P161-L281 HydrophobicContact CB-CD1 3.46Å; P161-L281 VanDerWaalsContact CB-CD1 3.46Å; P161-L281 HydrophobicContact CB-CD2 4.23Å; P161-L281 HydrophobicContact CB-CG 4.19Å; P161-L281 HydrophobicContact CG-CD1 4.27Å; D165-L281 HydrophobicContact CB-CD2 4.34Å; L278-L281 HydrophobicContact CD2-CD1 4.14Å; L278-L281 PolarHBondContact O-N 2.9Å |
| 282 | G | 60.8 | Low | 77.4 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | trans | 144.2 | 161.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G280 S284 | G280-G282 VanDerWaalsContact C-N 3.32Å; G282-S284 VanDerWaalsContact C-N 3.34Å; G282-S284 PolarHBondContact O-N 2.84Å | ||
| 283 | S | 51.5 | Low | 77.4 | Confident | 108 Ų | 108 | 66.1 Ų | 66.1 | 76% | 0.755 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -71.4 | -21.2 | -166.6 | -43.9 | 0 | 0 | 0 | 0 | 115 | R285 | S283-R285 PolarHBondContact O-N 3.27Š|
| 284 | S | 51.8 | Low | 77.4 | Confident | 115 Ų | 115 | 64.5 Ų | 64.5 | 80% | 0.804 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -89.2 | 7.2 | -161.6 | -46.7 | 0 | 0 | 0 | 0 | 115.6 | G282 | G282-S284 VanDerWaalsContact C-N 3.34Å; G282-S284 PolarHBondContact O-N 2.84Å |
| 285 | R | 61.2 | Low | 77.1 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -122.3 | 14 | -177.9 | -58.6 | -164.9 | -170.7 | -174 | 21 | 115.1 | S283 S287 Y291 E296 | S283-R285 PolarHBondContact O-N 3.27Å; R285-S287 PolarHBondContact O-N 2.71Å; R285-S287 VanDerWaalsContact O-N 3.08Å; R285-Y291 PolarHBondContact NH1-O 3.08Å; R285-E296 IonicContact CZ-OE1 3.49Å; R285-E296 IonicContact CZ-OE2 3.02Å; R285-E296 VanDerWaalsContact CZ-OE2 3.27Å; R285-E296 IonicContact NH1-OE1 3.79Å; R285-E296 PolarHBondContact NH1-OE1 2.66Å; R285-E296 IonicContact NH1-OE2 2.92Å; R285-E296 PolarHBondContact NH1-OE2 3.27Å; R285-E296 IonicContact NH2-OE1 3.46Å; R285-E296 PolarHBondContact NH2-OE1 2.87Å; R285-E296 IonicContact NH2-OE2 3.37Å; R285-E296 PolarHBondContact NH2-OE2 3.39Å |
| 286 | T | 56 | Low | 77.1 | Confident | 116 Ų | 116 | 63.4 Ų | 63.4 | 71% | 0.712 | 37% | 0.366 | S | S | * | . | trans | -76.7 | 22.2 | 167.2 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 287 | S | 65.4 | Low | 77.2 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -66.2 | 158.2 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | R275 R285 Q289 | R275-S287 PolarHBondContact NE-O 2.58Å; R275-S287 VanDerWaalsContact NH2-C 3.29Å; R275-S287 PolarHBondContact NH2-O 2.88Å; R285-S287 PolarHBondContact O-N 2.71Å; R285-S287 VanDerWaalsContact O-N 3.08Å; S287-Q289 PolarHBondContact O-N 3.09Å; S287-Q289 PolarHBondContact OG-N 3.38Å |
| 288 | D | 71 | Confident | 77.2 | Confident | 130 Ų | 130 | 59.7 Ų | 59.7 | 70% | 0.695 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -63.9 | -12.8 | 166.5 | -67.4 | -34.4 | 0 | 0 | 0 | 113.2 | R275 | R275-D288 IonicContact CZ-OD1 3.43Å; R275-D288 IonicContact NH2-OD1 2.69Å; R275-D288 PolarHBondContact NH2-OD1 2.87Å |
| 289 | Q | 81.6 | Confident | 77.2 | Confident | 151 Ų | 151 | 59.3 Ų | 59.3 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -124.2 | 80.6 | 174.2 | -64.5 | -175.7 | -15.2 | 0 | 0 | 110.5 | S287 | S287-Q289 PolarHBondContact O-N 3.09Å; S287-Q289 PolarHBondContact OG-N 3.38Å |
| 290 | P | 89.3 | Confident | 77.6 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | trans | -67.2 | 147.9 | 174.3 | 30.7 | -35.6 | 0 | 0 | 0 | 110.9 | C271 L274 R275 | C271-P290 HydrophobicContact CB-CG 4.36Å; C271-P290 WeakPolarHBondContact SG-CD 3.27Å; L274-P290 HydrophobicContact CB-CB 3.84Å; L274-P290 HydrophobicContact CB-CG 3.91Å; L274-P290 HydrophobicContact CD1-CB 4.41Å; L274-P290 HydrophobicContact CD1-CG 4.27Å; R275-P290 HydrophobicContact CG-CB 4.23Å; R275-P290 HydrophobicContact CG-CG 4.23Å | ||
| 291 | Y | 90.4 | Very high | 78.3 | Confident | 86 Ų | 86 | 51 Ų | 51 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154.2 | 175.2 | 66.2 | -91.6 | 0 | 0 | 0 | 110.4 | I245 L278 R285 | I245-Y291 HydrophobicContact CB-CD2 3.88Å; I245-Y291 HydrophobicContact CB-CE2 4.46Å; I245-Y291 HydrophobicContact CD1-CD2 4.39Å; I245-Y291 HydrophobicContact CD1-CG 4.46Å; I245-Y291 HydrophobicContact CG2-CD2 3.7Å; I245-Y291 HydrophobicContact CG2-CE2 3.76Å; L278-Y291 WeakPolarHBondContact CD1-O 3.26Å; R285-Y291 PolarHBondContact NH1-O 3.08Å |
| 292 | L | 91.5 | Very high | 79 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.8 | 169.9 | -60.2 | 172.6 | 0 | 0 | 0 | 108.3 | I245 V246 F251 L274 Y277 L278 E296 F297 | I245-L292 CarbonylContact C-O 3.59Å; I245-L292 VanDerWaalsContact CA-O 3.31Å; I245-L292 WeakPolarHBondContact CA-O 3.28Å; V246-L292 HydrophobicContact CB-CB 4.42Å; V246-L292 PolarHBondContact N-O 3.36Å; V246-L292 PolarHBondContact O-N 3.13Å; F251-L292 HydrophobicContact CD2-CD1 3.83Å; F251-L292 HydrophobicContact CE2-CD1 3.9Å; L274-L292 HydrophobicContact CD2-CD1 3.85Å; L274-L292 HydrophobicContact CD2-CD2 3.97Å; L274-L292 HydrophobicContact CD2-CG 3.84Å; Y277-L292 HydrophobicContact CD1-CD2 4.1Å; Y277-L292 HydrophobicContact CE1-CD2 4.3Å; L278-L292 HydrophobicContact CD1-CD2 4.18Å; L278-L292 HydrophobicContact CD2-CD2 3.88Å; L278-L292 HydrophobicContact CG-CD2 4.16Å; L292-E296 HydrophobicContact CB-CB 4.26Å; L292-E296 HydrophobicContact CD2-CB 4.01Å; L292-F297 HydrophobicContact CB-CB 4.2Å; L292-F297 HydrophobicContact CD1-CB 4.25Å; L292-F297 HydrophobicContact CD1-CD2 4.08Å |
| 293 | S | 89.2 | Confident | 80.4 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 157.8 | 157 | 62.4 | 0 | 0 | 0 | 0 | 108.6 | Q244 Q295 E296 F297 | Q244-S293 CarbonylContact O-C 3.39Å; Q244-S293 WeakPolarHBondContact O-CA 3.12Å; S293-Q295 PolarHBondContact O-N 3.22Å; S293-E296 VanDerWaalsContact CB-OE2 3.24Å; S293-E296 WeakPolarHBondContact CB-OE2 3.42Å; S293-E296 PolarHBondContact N-OE2 3.07Å; S293-E296 PolarHBondContact O-N 3Å; S293-E296 VanDerWaalsContact OG-CD 3.26Å; S293-E296 WeakPolarHBondContact OG-CG 3.32Å; S293-E296 PolarHBondContact OG-N 3.05Å; S293-E296 PolarHBondContact OG-OE2 3.28Å; S293-F297 PolarHBondContact O-N 3.28Å |
| 294 | V | 89.7 | Confident | 82 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -48.9 | -37.5 | 172.3 | 161.7 | 0 | 0 | 0 | 0 | 111.2 | F232 G243 Q244 F297 L298 | F232-V294 HydrophobicContact CB-CG1 3.82Å; F232-V294 HydrophobicContact CD1-CB 4.41Å; F232-V294 HydrophobicContact CD1-CG1 3.63Å; F232-V294 HydrophobicContact CD1-CG2 3.85Å; F232-V294 HydrophobicContact CD2-CB 4.42Å; F232-V294 HydrophobicContact CD2-CG1 3.65Å; F232-V294 HydrophobicContact CD2-CG2 4.28Å; F232-V294 HydrophobicContact CE1-CB 4.44Å; F232-V294 HydrophobicContact CE1-CG1 4.14Å; F232-V294 HydrophobicContact CE1-CG2 3.46Å; F232-V294 VanDerWaalsContact CE1-CG2 3.46Å; F232-V294 HydrophobicContact CE2-CB 4.44Å; F232-V294 HydrophobicContact CE2-CG1 4.14Å; F232-V294 HydrophobicContact CE2-CG2 3.94Å; F232-V294 HydrophobicContact CG-CB 4.41Å; F232-V294 HydrophobicContact CG-CG1 3.38Å; F232-V294 HydrophobicContact CG-CG2 4.26Å; F232-V294 HydrophobicContact CZ-CB 4.48Å; F232-V294 HydrophobicContact CZ-CG1 4.38Å; F232-V294 HydrophobicContact CZ-CG2 3.53Å; G243-V294 WeakPolarHBondContact O-CG2 3.36Å; Q244-V294 PolarHBondContact O-N 3.49Å; V294-F297 PolarHBondContact O-N 3.29Å; V294-L298 WeakPolarHBondContact O-CG 3.49Å; V294-L298 PolarHBondContact O-N 3.06Å |
| 295 | Q | 84.9 | Confident | 83.7 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 179.5 | -151.9 | -145.2 | -60.9 | 0 | 0 | 112.8 | R223 Y227 S293 F297 L298 D299 | R223-Q295 VanDerWaalsContact CD-OE1 3.3Å; R223-Q295 VanDerWaalsContact CZ-NE2 3.29Å; R223-Q295 VanDerWaalsContact NH1-OE1 3.1Å; Y227-Q295 HydrophobicContact CD2-CG 4.32Å; S293-Q295 PolarHBondContact O-N 3.22Å; Q295-F297 VanDerWaalsContact C-N 3.26Å; Q295-F297 PolarHBondContact O-N 2.79Å; Q295-L298 PolarHBondContact O-N 2.72Å; Q295-D299 PolarHBondContact O-N 3.06Å |
| 296 | E | 88.5 | Confident | 85.1 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -28.2 | 176.1 | -69.4 | 151.2 | 148.4 | 0 | 0 | 111.9 | L278 R285 L292 S293 D299 Y300 | L278-E296 HydrophobicContact CD2-CG 4.46Å; R285-E296 IonicContact CZ-OE1 3.49Å; R285-E296 IonicContact CZ-OE2 3.02Å; R285-E296 VanDerWaalsContact CZ-OE2 3.27Å; R285-E296 IonicContact NH1-OE1 3.79Å; R285-E296 PolarHBondContact NH1-OE1 2.66Å; R285-E296 IonicContact NH1-OE2 2.92Å; R285-E296 PolarHBondContact NH1-OE2 3.27Å; R285-E296 IonicContact NH2-OE1 3.46Å; R285-E296 PolarHBondContact NH2-OE1 2.87Å; R285-E296 IonicContact NH2-OE2 3.37Å; R285-E296 PolarHBondContact NH2-OE2 3.39Å; L292-E296 HydrophobicContact CB-CB 4.26Å; L292-E296 HydrophobicContact CD2-CB 4.01Å; S293-E296 VanDerWaalsContact CB-OE2 3.24Å; S293-E296 WeakPolarHBondContact CB-OE2 3.42Å; S293-E296 PolarHBondContact N-OE2 3.07Å; S293-E296 PolarHBondContact O-N 3Å; S293-E296 VanDerWaalsContact OG-CD 3.26Å; S293-E296 WeakPolarHBondContact OG-CG 3.32Å; S293-E296 PolarHBondContact OG-N 3.05Å; S293-E296 PolarHBondContact OG-OE2 3.28Å; E296-D299 WeakPolarHBondContact O-CB 3.28Å; E296-D299 PolarHBondContact O-N 3.08Å; E296-Y300 WeakPolarHBondContact O-CB 3.47Å; E296-Y300 PolarHBondContact O-N 3.48Å |
| 297 | F | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 170.4 | 179.1 | -98.7 | 0 | 0 | 0 | 111.5 | F232 F236 V246 F251 F254 L292 S293 V294 Q295 D299 Y300 L301 | F232-F297 AromaticContact CD2-CD1 3.92Å; F232-F297 HydrophobicContact CD2-CD1 3.92Å; F232-F297 HydrophobicContact CD2-CE1 4.35Å; F232-F297 AromaticContact CE2-CD1 3.69Å; F232-F297 HydrophobicContact CE2-CD1 3.69Å; F232-F297 HydrophobicContact CE2-CE1 4.08Å; F236-F297 HydrophobicContact CB-CE1 3.95Å; F236-F297 AromaticContact CD1-CE1 3.95Å; F236-F297 HydrophobicContact CD1-CE1 3.95Å; F236-F297 HydrophobicContact CD1-CZ 4.22Å; F236-F297 HydrophobicContact CD2-CE1 4.41Å; F236-F297 AromaticContact CG-CE1 3.84Å; F236-F297 HydrophobicContact CG-CE1 3.84Å; V246-F297 HydrophobicContact CB-CD2 4.39Å; V246-F297 HydrophobicContact CG1-CD2 4.2Å; V246-F297 HydrophobicContact CG2-CB 3.92Å; V246-F297 HydrophobicContact CG2-CD1 4.36Å; V246-F297 HydrophobicContact CG2-CD2 4.11Å; V246-F297 HydrophobicContact CG2-CG 3.86Å; F251-F297 HydrophobicContact CD2-CD2 4.22Å; F251-F297 HydrophobicContact CD2-CE2 4.19Å; F251-F297 HydrophobicContact CE2-CE2 4.47Å; F254-F297 HydrophobicContact CB-CE2 4.43Å; F254-F297 AromaticContact CD1-CE2 3.91Å; F254-F297 HydrophobicContact CD1-CE2 3.91Å; F254-F297 HydrophobicContact CD1-CZ 4.2Å; F254-F297 HydrophobicContact CD2-CE2 4.2Å; F254-F297 AromaticContact CD2-CZ 3.7Å; F254-F297 HydrophobicContact CD2-CZ 3.7Å; F254-F297 HydrophobicContact CE1-CE2 4.25Å; F254-F297 HydrophobicContact CE1-CZ 4.35Å; F254-F297 HydrophobicContact CE2-CE2 4.5Å; F254-F297 AromaticContact CE2-CZ 3.85Å; F254-F297 HydrophobicContact CE2-CZ 3.85Å; F254-F297 AromaticContact CG-CE2 3.9Å; F254-F297 HydrophobicContact CG-CE2 3.9Å; F254-F297 AromaticContact CG-CZ 3.89Å; F254-F297 HydrophobicContact CG-CZ 3.89Å; F254-F297 HydrophobicContact CZ-CZ 4.18Å; L292-F297 HydrophobicContact CB-CB 4.2Å; L292-F297 HydrophobicContact CD1-CB 4.25Å; L292-F297 HydrophobicContact CD1-CD2 4.08Å; S293-F297 PolarHBondContact O-N 3.28Å; V294-F297 PolarHBondContact O-N 3.29Å; Q295-F297 VanDerWaalsContact C-N 3.26Å; Q295-F297 PolarHBondContact O-N 2.79Å; F297-D299 VanDerWaalsContact C-N 3.34Å; F297-D299 PolarHBondContact O-N 2.92Å; F297-Y300 WeakPolarHBondContact O-CB 3.21Å; F297-Y300 PolarHBondContact O-N 3.48Å; F297-L301 HydrophobicContact CE1-CD1 4.13Å; F297-L301 HydrophobicContact CE1-CD2 4.19Å; F297-L301 HydrophobicContact CE1-CG 4.26Å; F297-L301 HydrophobicContact CZ-CD2 4.02Å; F297-L301 WeakPolarHBondContact O-CG 3.42Å; F297-L301 PolarHBondContact O-N 3.04Å; F297-L301 VanDerWaalsContact O-N 3.12Å |
| 298 | L | 89 | Confident | 87.4 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 172.8 | -67.8 | 177.1 | 0 | 0 | 0 | 112.1 | Y227 L231 F232 V294 Q295 Y300 L301 F302 | Y227-L298 HydrophobicContact CD1-CB 3.9Å; Y227-L298 HydrophobicContact CD1-CD1 4.25Å; Y227-L298 HydrophobicContact CE1-CB 4.2Å; L231-L298 HydrophobicContact CD2-CD2 4.16Å; L231-L298 HydrophobicContact CG-CD2 4.46Å; F232-L298 HydrophobicContact CB-CD1 4.29Å; F232-L298 HydrophobicContact CB-CD2 4.19Å; F232-L298 HydrophobicContact CB-CG 4.48Å; F232-L298 HydrophobicContact CD2-CD2 4.39Å; V294-L298 WeakPolarHBondContact O-CG 3.49Å; V294-L298 PolarHBondContact O-N 3.06Å; Q295-L298 PolarHBondContact O-N 2.72Å; L298-Y300 VanDerWaalsContact C-N 3.3Å; L298-Y300 PolarHBondContact O-N 3.3Å; L298-L301 HydrophobicContact CD2-CD1 4.03Å; L298-L301 PolarHBondContact O-N 3.16Å; L298-F302 WeakPolarHBondContact O-CD2 3.38Å |
| 299 | D | 87.5 | Confident | 87.9 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 172.3 | -66 | -0.9 | 0 | 0 | 0 | 110.8 | Y227 Q295 E296 F297 L301 F302 S303 | Y227-D299 WeakPolarHBondContact CE1-OD1 3.41Å; Y227-D299 PolarHBondContact OH-OD1 3Å; Q295-D299 PolarHBondContact O-N 3.06Å; E296-D299 WeakPolarHBondContact O-CB 3.28Å; E296-D299 PolarHBondContact O-N 3.08Å; F297-D299 VanDerWaalsContact C-N 3.34Å; F297-D299 PolarHBondContact O-N 2.92Å; D299-L301 VanDerWaalsContact C-N 3.35Å; D299-L301 PolarHBondContact O-N 2.95Å; D299-F302 PolarHBondContact O-N 2.68Å; D299-S303 WeakPolarHBondContact O-CB 3.39Å; D299-S303 PolarHBondContact O-N 2.66Å; D299-S303 VanDerWaalsContact O-N 3.11Å |
| 300 | Y | 91 | Very high | 87.7 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 178.9 | 169.3 | -93.3 | 0 | 0 | 0 | 112.4 | F251 F254 F273 Y277 E296 F297 L298 F302 S303 N306 | F251-Y300 AromaticContact CE2-CD1 3.9Å; F251-Y300 HydrophobicContact CE2-CD1 3.9Å; F251-Y300 AromaticContact CE2-CE1 3.72Å; F251-Y300 HydrophobicContact CE2-CE1 3.72Å; F251-Y300 HydrophobicContact CE2-CE2 4.37Å; F251-Y300 HydrophobicContact CE2-CG 4.32Å; F251-Y300 AromaticContact CE2-CZ 3.96Å; F251-Y300 HydrophobicContact CZ-CD1 4.46Å; F251-Y300 HydrophobicContact CZ-CD2 4.46Å; F251-Y300 HydrophobicContact CZ-CE1 4.03Å; F251-Y300 HydrophobicContact CZ-CE2 4Å; F251-Y300 AromaticContact CZ-CZ 3.76Å; F254-Y300 AromaticContact CE1-CE1 3.92Å; F254-Y300 HydrophobicContact CE1-CE1 3.92Å; F273-Y300 HydrophobicContact CE1-CD2 4.22Å; F273-Y300 AromaticContact CE1-CE2 3.67Å; F273-Y300 HydrophobicContact CE1-CE2 3.67Å; F273-Y300 HydrophobicContact CZ-CD2 4.29Å; F273-Y300 AromaticContact CZ-CE2 3.62Å; F273-Y300 HydrophobicContact CZ-CE2 3.62Å; Y277-Y300 HydrophobicContact CE1-CD2 4.5Å; Y277-Y300 HydrophobicContact CE2-CD2 4.15Å; Y277-Y300 VanDerWaalsContact OH-CA 3.24Å; Y277-Y300 WeakPolarHBondContact OH-CA 3.32Å; Y277-Y300 PolarHBondContact OH-N 2.8Å; E296-Y300 WeakPolarHBondContact O-CB 3.47Å; E296-Y300 PolarHBondContact O-N 3.48Å; F297-Y300 WeakPolarHBondContact O-CB 3.21Å; F297-Y300 PolarHBondContact O-N 3.48Å; L298-Y300 VanDerWaalsContact C-N 3.3Å; L298-Y300 PolarHBondContact O-N 3.3Å; Y300-F302 PolarHBondContact O-N 3.1Å; Y300-F302 VanDerWaalsContact O-N 3.1Å; Y300-S303 VanDerWaalsContact O-CB 3.28Å; Y300-S303 WeakPolarHBondContact O-CB 3.27Å; Y300-S303 PolarHBondContact O-N 3.1Å; Y300-S303 PolarHBondContact O-OG 3.38Å; Y300-N306 HydrophobicContact CD1-CB 4.41Å; Y300-N306 HydrophobicContact CD2-CB 4.47Å; Y300-N306 HydrophobicContact CE1-CB 3.9Å; Y300-N306 WeakPolarHBondContact CE1-OD1 3.21Å; Y300-N306 HydrophobicContact CE2-CB 3.99Å; Y300-N306 VanDerWaalsContact CZ-OD1 3.3Å; Y300-N306 WeakPolarHBondContact O-CB 3.38Å; Y300-N306 PolarHBondContact OH-OD1 3.35Å |
| 301 | L | 90.7 | Very high | 87.1 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.9 | -31.6 | -179.6 | -65.8 | 178.9 | 0 | 0 | 0 | 113.5 | F236 F254 F297 L298 D299 N306 | F236-L301 HydrophobicContact CD2-CD1 4.15Å; F236-L301 HydrophobicContact CE1-CD1 4.43Å; F236-L301 HydrophobicContact CE2-CD1 3.58Å; F236-L301 HydrophobicContact CZ-CD1 3.74Å; F236-L301 HydrophobicContact CZ-CD2 4.49Å; F254-L301 HydrophobicContact CE1-CD2 4.29Å; F254-L301 HydrophobicContact CE2-CD2 4.1Å; F254-L301 HydrophobicContact CZ-CD2 3.56Å; F297-L301 HydrophobicContact CE1-CD1 4.13Å; F297-L301 HydrophobicContact CE1-CD2 4.19Å; F297-L301 HydrophobicContact CE1-CG 4.26Å; F297-L301 HydrophobicContact CZ-CD2 4.02Å; F297-L301 WeakPolarHBondContact O-CG 3.42Å; F297-L301 PolarHBondContact O-N 3.04Å; F297-L301 VanDerWaalsContact O-N 3.12Å; L298-L301 HydrophobicContact CD2-CD1 4.03Å; L298-L301 PolarHBondContact O-N 3.16Å; D299-L301 VanDerWaalsContact C-N 3.35Å; D299-L301 PolarHBondContact O-N 2.95Å; L301-N306 PolarHBondContact O-ND2 2.74Å |
| 302 | F | 87.1 | Confident | 86.6 | Confident | 151 Ų | 151 | 55.1 Ų | 55.1 | 66% | 0.662 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 6.2 | 178.8 | -60.9 | -83.3 | 0 | 0 | 0 | 113.2 | L298 D299 Y300 | L298-F302 WeakPolarHBondContact O-CD2 3.38Å; D299-F302 PolarHBondContact O-N 2.68Å; Y300-F302 PolarHBondContact O-N 3.1Å; Y300-F302 VanDerWaalsContact O-N 3.1Å |
| 303 | S | 90.2 | Very high | 86.2 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -75.8 | 162 | -178 | 74.9 | 0 | 0 | 0 | 0 | 111.8 | Y277 D299 Y300 E305 N306 | Y277-S303 WeakPolarHBondContact OH-CB 3.39Å; D299-S303 WeakPolarHBondContact O-CB 3.39Å; D299-S303 PolarHBondContact O-N 2.66Å; D299-S303 VanDerWaalsContact O-N 3.11Å; Y300-S303 VanDerWaalsContact O-CB 3.28Å; Y300-S303 WeakPolarHBondContact O-CB 3.27Å; Y300-S303 PolarHBondContact O-N 3.1Å; Y300-S303 PolarHBondContact O-OG 3.38Å; S303-E305 WeakPolarHBondContact CB-OE2 3.19Å; S303-E305 PolarHBondContact O-N 3.39Å; S303-E305 PolarHBondContact OG-OE2 3.1Å; S303-N306 PolarHBondContact O-N 2.96Å; S303-N306 PolarHBondContact OG-N 2.87Å |
| 304 | R | 85.6 | Confident | 85.7 | Confident | 183 Ų | 183 | 65.2 Ų | 65.2 | 69% | 0.691 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -71 | -21.3 | 178.3 | -65.6 | 177 | 178.4 | -176.1 | -3.5 | 111.7 | N306 S307 | R304-N306 VanDerWaalsContact C-N 3.3Å; R304-S307 WeakPolarHBondContact O-CB 3.26Å; R304-S307 PolarHBondContact O-N 3.1Å |
| 305 | E | 87.7 | Confident | 85.4 | Confident | 66 Ų | 66 | 74.6 Ų | 74.6 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -75.6 | -20.5 | 177 | -61.5 | 86.1 | 158.7 | 0 | 0 | 111.9 | P159 H160 F273 Y277 S303 | P159-E305 WeakPolarHBondContact CA-OE1 3.48Å; H160-E305 WeakPolarHBondContact CB-OE2 3.33Å; H160-E305 PolarHBondContact N-OE1 2.89Å; F273-E305 HydrophobicContact CE2-CB 4.05Å; F273-E305 HydrophobicContact CE2-CG 4.48Å; F273-E305 HydrophobicContact CZ-CB 3.83Å; F273-E305 HydrophobicContact CZ-CG 4.49Å; Y277-E305 HydrophobicContact CD2-CB 4.27Å; Y277-E305 HydrophobicContact CD2-CG 3.99Å; Y277-E305 HydrophobicContact CE2-CB 4.31Å; Y277-E305 HydrophobicContact CE2-CG 4.22Å; S303-E305 WeakPolarHBondContact CB-OE2 3.19Å; S303-E305 PolarHBondContact O-N 3.39Å; S303-E305 PolarHBondContact OG-OE2 3.1Å |
| 306 | N | 90 | Very high | 85.4 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -104.6 | 36 | 170.4 | -161.4 | 61.3 | 0 | 0 | 0 | 111.4 | Q259 Y300 L301 S303 R304 | Q259-N306 PolarHBondContact OE1-OD1 3.11Å; Y300-N306 HydrophobicContact CD1-CB 4.41Å; Y300-N306 HydrophobicContact CD2-CB 4.47Å; Y300-N306 HydrophobicContact CE1-CB 3.9Å; Y300-N306 WeakPolarHBondContact CE1-OD1 3.21Å; Y300-N306 HydrophobicContact CE2-CB 3.99Å; Y300-N306 VanDerWaalsContact CZ-OD1 3.3Å; Y300-N306 WeakPolarHBondContact O-CB 3.38Å; Y300-N306 PolarHBondContact OH-OD1 3.35Å; L301-N306 PolarHBondContact O-ND2 2.74Å; S303-N306 PolarHBondContact O-N 2.96Å; S303-N306 PolarHBondContact OG-N 2.87Å; R304-N306 VanDerWaalsContact C-N 3.3Å |
| 307 | S | 86 | Confident | 85.3 | Confident | 61 Ų | 61 | 80 Ų | 80 | 43% | 0.427 | 39% | 0.386 | S | S | . | . | trans | -73.1 | 140 | 179.7 | 164.7 | 0 | 0 | 0 | 0 | 111.1 | R304 L309 | R304-S307 WeakPolarHBondContact O-CB 3.26Å; R304-S307 PolarHBondContact O-N 3.1Å; S307-L309 PolarHBondContact O-N 2.85Å; S307-L309 PolarHBondContact OG-N 3.01Å; S307-L309 VanDerWaalsContact OG-N 3.1Å | ||
| 308 | L | 83.5 | Confident | 85.2 | Confident | 183 Ų | 183 | 84.9 Ų | 84.9 | 96% | 0.958 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -62.5 | -27.9 | 172.2 | -175.3 | 66.4 | 0 | 0 | 0 | 112.7 | D310 | L308-D310 PolarHBondContact O-N 3.49Š|
| 309 | L | 81.3 | Confident | 85.5 | Confident | 80 Ų | 80 | 88.4 Ų | 88.4 | 42% | 0.419 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -74.7 | 115.6 | 176.6 | 179.7 | 67.7 | 0 | 0 | 0 | 110.8 | S307 H313 K314 | S307-L309 PolarHBondContact O-N 2.85Å; S307-L309 PolarHBondContact OG-N 3.01Å; S307-L309 VanDerWaalsContact OG-N 3.1Å; L309-H313 HydrophobicContact CD1-CB 4Å; L309-K314 HydrophobicContact CD2-CG 4.31Å |
| 310 | D | 77.9 | Confident | 85.9 | Confident | 72 Ų | 72 | 89.4 Ų | 89.4 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | trans | -58.2 | 123.8 | 170.9 | -175.2 | -26.3 | 0 | 0 | 0 | 110.2 | L308 I312 H313 | L308-D310 PolarHBondContact O-N 3.49Å; D310-I312 PolarHBondContact O-N 3.32Å; D310-I312 VanDerWaalsContact O-N 3.1Å; D310-I312 WeakPolarHBondContact OD1-CB 3.43Å; D310-I312 WeakPolarHBondContact OD1-CG1 3.3Å; D310-I312 PolarHBondContact OD1-N 2.89Å; D310-H313 WeakPolarHBondContact O-CB 3.44Å; D310-H313 PolarHBondContact O-N 3.11Å | ||
| 311 | P | 75.7 | Confident | 86.3 | Confident | 89 Ų | 89 | 93.7 Ų | 93.7 | 58% | 0.578 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -54.2 | -25.5 | 177.5 | -26.4 | 34.9 | 0 | 0 | 0 | 115.3 | H313 K314 | P311-H313 PolarHBondContact O-N 2.95Å; P311-K314 WeakPolarHBondContact O-CB 3.27Å; P311-K314 PolarHBondContact O-N 2.8Å; P311-K314 VanDerWaalsContact O-N 3.11Å |
| 312 | I | 80.1 | Confident | 86.6 | Confident | 112 Ų | 112 | 99 Ų | 99 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -58.8 | -35.5 | 175.1 | -65.9 | 170.8 | 0 | 0 | 0 | 110.2 | D310 K314 R315 H317 | D310-I312 PolarHBondContact O-N 3.32Å; D310-I312 VanDerWaalsContact O-N 3.1Å; D310-I312 WeakPolarHBondContact OD1-CB 3.43Å; D310-I312 WeakPolarHBondContact OD1-CG1 3.3Å; D310-I312 PolarHBondContact OD1-N 2.89Å; I312-K314 PolarHBondContact O-N 2.64Å; I312-R315 PolarHBondContact O-N 3.29Å; I312-H317 HydrophobicContact CG2-CB 4.36Å |
| 313 | H | 83.7 | Confident | 87.1 | Confident | 90 Ų | 90 | 92.7 Ų | 92.7 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -74.2 | -8.3 | 179.8 | -61 | -47.3 | 0 | 0 | 0 | 114.5 | L309 D310 P311 R315 H317 | L309-H313 HydrophobicContact CD1-CB 4Å; D310-H313 WeakPolarHBondContact O-CB 3.44Å; D310-H313 PolarHBondContact O-N 3.11Å; P311-H313 PolarHBondContact O-N 2.95Å; H313-R315 PolarHBondContact O-N 3.26Å; H313-H317 AromaticContact CE1-CD2 3.76Å; H313-H317 AromaticContact CE1-NE2 3.63Å; H313-H317 AromaticContact CG-CE1 3.79Å; H313-H317 AromaticContact CG-NE2 3.98Å; H313-H317 AromaticContact ND1-CD2 3.25Å; H313-H317 PolarHBondContact ND1-CD2 3.44Å; H313-H317 VanDerWaalsContact ND1-CD2 3.25Å; H313-H317 AromaticContact ND1-CE1 3.14Å; H313-H317 PolarHBondContact ND1-CE1 2.75Å; H313-H317 AromaticContact ND1-CG 3.53Å; H313-H317 AromaticContact ND1-ND1 3.47Å; H313-H317 PolarHBondContact ND1-ND1 2.64Å; H313-H317 AromaticContact ND1-NE2 2.98Å; H313-H317 PolarHBondContact ND1-NE2 2.87Å |
| 314 | K | 78.9 | Confident | 87.5 | Confident | 146 Ų | 146 | 92.8 Ų | 92.8 | 64% | 0.635 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -74.3 | -9.1 | 171.9 | -63 | -178.9 | 179.3 | 173.8 | 0 | 113.1 | L309 P311 I312 | L309-K314 HydrophobicContact CD2-CG 4.31Å; P311-K314 WeakPolarHBondContact O-CB 3.27Å; P311-K314 PolarHBondContact O-N 2.8Å; P311-K314 VanDerWaalsContact O-N 3.11Å; I312-K314 PolarHBondContact O-N 2.64Å |
| 315 | R | 82.7 | Confident | 88 | Confident | 208 Ų | 208 | 84.6 Ų | 84.6 | 79% | 0.785 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -117.2 | 160.8 | 173.6 | -59.2 | -178.6 | -175.6 | -169.3 | 1.7 | 108.3 | I312 H313 H317 | I312-R315 PolarHBondContact O-N 3.29Å; H313-R315 PolarHBondContact O-N 3.26Å; R315-H317 PolarHBondContact O-N 2.99Å; R315-H317 PolarHBondContact O-ND1 3.36Å |
| 316 | V | 86.2 | Confident | 88.4 | Confident | 81 Ų | 81 | 85.7 Ų | 85.7 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | trans | -62.6 | 114 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | M320 Y410 | V316-M320 HydrophobicContact CG1-CE 4.33Å; V316-M320 HydrophobicContact CG1-CG 3.35Å; V316-M320 HydrophobicContact CG1-SD 3.67Å; V316-Y410 HydrophobicContact CB-CE2 4.29Å; V316-Y410 HydrophobicContact CG1-CE2 3.98Å; V316-Y410 HydrophobicContact CG2-CE2 3.93Å | ||
| 317 | H | 84.9 | Confident | 88.7 | Confident | 85 Ų | 85 | 85.9 Ų | 85.9 | 39% | 0.394 | 43% | 0.429 | S | S | . | . | trans | -125.1 | -9.2 | -175.5 | 62.3 | -84 | 0 | 0 | 0 | 111.5 | I312 H313 R315 | I312-H317 HydrophobicContact CG2-CB 4.36Å; H313-H317 AromaticContact CE1-CD2 3.76Å; H313-H317 AromaticContact CE1-NE2 3.63Å; H313-H317 AromaticContact CG-CE1 3.79Å; H313-H317 AromaticContact CG-NE2 3.98Å; H313-H317 AromaticContact ND1-CD2 3.25Å; H313-H317 PolarHBondContact ND1-CD2 3.44Å; H313-H317 VanDerWaalsContact ND1-CD2 3.25Å; H313-H317 AromaticContact ND1-CE1 3.14Å; H313-H317 PolarHBondContact ND1-CE1 2.75Å; H313-H317 AromaticContact ND1-CG 3.53Å; H313-H317 AromaticContact ND1-ND1 3.47Å; H313-H317 PolarHBondContact ND1-ND1 2.64Å; H313-H317 AromaticContact ND1-NE2 2.98Å; H313-H317 PolarHBondContact ND1-NE2 2.87Å; R315-H317 PolarHBondContact O-N 2.99Å; R315-H317 PolarHBondContact O-ND1 3.36Å | ||
| 318 | Q | 89.1 | Confident | 89.1 | Confident | 102 Ų | 102 | 90.8 Ų | 90.8 | 48% | 0.477 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -71.1 | 153.1 | 171.8 | -58.8 | 85.3 | -8.6 | 0 | 0 | 109.9 | M320 | Q318-M320 HydrophobicContact CB-SD 4.27Å; Q318-M320 WeakPolarHBondContact O-CG 3.25Å; Q318-M320 PolarHBondContact O-N 3.22Å; Q318-M320 VanDerWaalsContact O-N 3.14Å |
| 319 | D | 95.5 | Very high | 89.6 | Confident | 76 Ų | 76 | 82.9 Ų | 82.9 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | trans | -65.2 | 110.6 | 166.8 | 168.7 | 19.1 | 0 | 0 | 0 | 108.7 | T321 R322 Y327 | D319-T321 VanDerWaalsContact C-N 3.35Å; D319-T321 WeakPolarHBondContact OD1-CB 3.48Å; D319-T321 PolarHBondContact OD1-N 3.13Å; D319-T321 PolarHBondContact OD1-OG1 3.33Å; D319-R322 WeakPolarHBondContact OD2-CG 3.27Å; D319-R322 IonicContact OD2-NE 3.27Å; D319-R322 PolarHBondContact OD2-NE 3.44Å; D319-Y327 WeakPolarHBondContact O-CE1 3.39Å; D319-Y327 PolarHBondContact O-OH 3.22Å | ||
| 320 | M | 96.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 80.6 Ų | 80.6 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | trans | -94.9 | 12.7 | -178.4 | -61.7 | -59.5 | -71.4 | 0 | 0 | 113 | V316 Q318 Y327 Y410 S454 P455 E456 | V316-M320 HydrophobicContact CG1-CE 4.33Å; V316-M320 HydrophobicContact CG1-CG 3.35Å; V316-M320 HydrophobicContact CG1-SD 3.67Å; Q318-M320 HydrophobicContact CB-SD 4.27Å; Q318-M320 WeakPolarHBondContact O-CG 3.25Å; Q318-M320 PolarHBondContact O-N 3.22Å; Q318-M320 VanDerWaalsContact O-N 3.14Å; M320-Y327 WeakPolarHBondContact CA-OH 3.39Å; M320-Y327 HydrophobicContact CE-CD1 4.24Å; M320-Y327 HydrophobicContact CE-CE1 4.16Å; M320-Y327 HydrophobicContact SD-CD1 3.95Å; M320-Y327 HydrophobicContact SD-CE1 3.52Å; M320-Y327 VanDerWaalsContact SD-CE1 3.52Å; M320-Y410 HydrophobicContact CB-CE1 4Å; M320-Y410 HydrophobicContact CE-CD1 4.15Å; M320-Y410 HydrophobicContact CE-CD2 4.11Å; M320-Y410 HydrophobicContact CE-CE1 3.92Å; M320-Y410 HydrophobicContact CE-CE2 3.91Å; M320-Y410 HydrophobicContact CE-CG 4.25Å; M320-Y410 HydrophobicContact CG-CE1 4.22Å; M320-Y410 HydrophobicContact CG-CE2 4.42Å; M320-Y410 WeakPolarHBondContact CG-OH 3.37Å; M320-S454 WeakPolarHBondContact O-CB 3.42Å; M320-P455 HydrophobicContact CE-CB 3.72Å; M320-P455 HydrophobicContact CE-CG 3.86Å; M320-P455 WeakPolarHBondContact O-CD 3.42Å; M320-E456 HydrophobicContact CB-CG 3.7Å; M320-E456 VanDerWaalsContact O-CG 3.31Å; M320-E456 WeakPolarHBondContact O-CG 3.42Å; M320-E456 PolarHBondContact O-N 3.2Å | ||
| 321 | T | 97.8 | Very high | 91 | Very high | 94 Ų | 94 | 77.2 Ų | 77.2 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | trans | -96.3 | -2.8 | -179 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | D319 Y327 S454 E456 | D319-T321 VanDerWaalsContact C-N 3.35Å; D319-T321 WeakPolarHBondContact OD1-CB 3.48Å; D319-T321 PolarHBondContact OD1-N 3.13Å; D319-T321 PolarHBondContact OD1-OG1 3.33Å; T321-Y327 PolarHBondContact N-OH 3.19Å; T321-S454 VanDerWaalsContact O-CB 3.22Å; T321-S454 WeakPolarHBondContact O-CB 3.37Å; T321-E456 HydrophobicContact CG2-CB 4.49Å; T321-E456 HydrophobicContact CG2-CG 4.15Å | ||
| 322 | R | 97.7 | Very high | 91.9 | Very high | 140 Ų | 140 | 73 Ų | 73 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -77.4 | 162.5 | 174.2 | -52.5 | -174.6 | 169.3 | -136.7 | -3.1 | 112.7 | D319 D326 Y327 S454 P455 | D319-R322 WeakPolarHBondContact OD2-CG 3.27Å; D319-R322 IonicContact OD2-NE 3.27Å; D319-R322 PolarHBondContact OD2-NE 3.44Å; R322-D326 HydrophobicContact CB-CB 4.31Å; R322-Y327 WeakPolarHBondContact CA-OH 3.29Å; R322-Y327 HydrophobicContact CB-CE2 4.17Å; R322-Y327 VanDerWaalsContact CB-OH 3.28Å; R322-Y327 WeakPolarHBondContact CB-OH 3.48Å; R322-Y327 PolarHBondContact N-OH 3.32Å; R322-Y327 VanDerWaalsContact O-CE2 3.29Å; R322-Y327 WeakPolarHBondContact O-CE2 3.37Å; R322-Y327 PolarHBondContact O-OH 3.37Å; R322-S454 WeakPolarHBondContact O-CA 3.28Å; R322-S454 WeakPolarHBondContact O-CB 3.49Å; R322-P455 WeakPolarHBondContact O-CD 3.32Å |
| 323 | P | 97.9 | Very high | 92.7 | Very high | 19 Ų | 19 | 68.4 Ų | 68.4 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | trans | -54.5 | 144.2 | 177.9 | -29.1 | 38.1 | 0 | 0 | 0 | 113.6 | C325 D326 Y327 E451 L452 | P323-C325 PolarHBondContact O-N 3.17Å; P323-D326 WeakPolarHBondContact O-CB 3.26Å; P323-D326 PolarHBondContact O-N 3.07Å; P323-Y327 WeakPolarHBondContact O-CD2 3.36Å; P323-Y327 VanDerWaalsContact O-CE2 3.28Å; P323-Y327 WeakPolarHBondContact O-CE2 3.06Å; P323-E451 HydrophobicContact CG-CB 4.4Å; P323-E451 VanDerWaalsContact CG-CD 3.46Å; P323-E451 HydrophobicContact CG-CG 4.12Å; P323-E451 WeakPolarHBondContact CG-OE2 3.18Å; P323-L452 WeakPolarHBondContact CA-O 3.43Å; P323-L452 HydrophobicContact CB-CB 4.49Å; P323-L452 WeakPolarHBondContact CB-O 3.41Å | ||
| 324 | L | 97.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -55 | -26.9 | -176.4 | -174.4 | 62.1 | 0 | 0 | 0 | 114.4 | D326 Y327 I329 L452 P453 P455 L458 L463 L1029 | L324-D326 PolarHBondContact O-N 3.34Å; L324-Y327 PolarHBondContact O-N 3.46Å; L324-I329 HydrophobicContact CD1-CD1 4.05Å; L324-I329 HydrophobicContact CG-CD1 4.11Å; L324-L452 HydrophobicContact CB-CB 4.14Å; L324-L452 HydrophobicContact CB-CD1 4.46Å; L324-P453 VanDerWaalsContact CB-O 3.29Å; L324-P453 WeakPolarHBondContact CB-O 3.2Å; L324-P453 PolarHBondContact N-O 2.91Å; L324-P455 HydrophobicContact CD1-CG 3.96Å; L324-L458 HydrophobicContact CD2-CD1 4.04Å; L324-L463 HydrophobicContact CD2-CD1 4.37Å; L324-L1029 HydrophobicContact CD2-CD1 4.21Å |
| 325 | C | 96.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -69.7 | -11.5 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 115 | P323 Y327 L452 L1029 Q1055 | P323-C325 PolarHBondContact O-N 3.17Å; C325-Y327 VanDerWaalsContact C-N 3.29Å; C325-L452 HydrophobicContact CB-CD1 3.88Å; C325-L1029 HydrophobicContact CB-CD2 4.1Å; C325-Q1055 WeakPolarHBondContact O-CG 3.21Å; C325-Q1055 PolarHBondContact O-NE2 2.94Å |
| 326 | D | 96.5 | Very high | 94.7 | Very high | 89 Ų | 89 | 47.4 Ų | 47.4 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -82.3 | -6.8 | 179.5 | -71.6 | 5 | 0 | 0 | 0 | 113 | R322 P323 L324 | R322-D326 HydrophobicContact CB-CB 4.31Å; P323-D326 WeakPolarHBondContact O-CB 3.26Å; P323-D326 PolarHBondContact O-N 3.07Å; L324-D326 PolarHBondContact O-N 3.34Å |
| 327 | Y | 95.6 | Very high | 95 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -115.3 | 147.5 | -175.8 | -49.2 | -95.1 | 0 | 0 | 0 | 111.9 | D319 M320 T321 R322 P323 L324 C325 P455 Q1055 | D319-Y327 WeakPolarHBondContact O-CE1 3.39Å; D319-Y327 PolarHBondContact O-OH 3.22Å; M320-Y327 WeakPolarHBondContact CA-OH 3.39Å; M320-Y327 HydrophobicContact CE-CD1 4.24Å; M320-Y327 HydrophobicContact CE-CE1 4.16Å; M320-Y327 HydrophobicContact SD-CD1 3.95Å; M320-Y327 HydrophobicContact SD-CE1 3.52Å; M320-Y327 VanDerWaalsContact SD-CE1 3.52Å; T321-Y327 PolarHBondContact N-OH 3.19Å; R322-Y327 WeakPolarHBondContact CA-OH 3.29Å; R322-Y327 HydrophobicContact CB-CE2 4.17Å; R322-Y327 VanDerWaalsContact CB-OH 3.28Å; R322-Y327 WeakPolarHBondContact CB-OH 3.48Å; R322-Y327 PolarHBondContact N-OH 3.32Å; R322-Y327 VanDerWaalsContact O-CE2 3.29Å; R322-Y327 WeakPolarHBondContact O-CE2 3.37Å; R322-Y327 PolarHBondContact O-OH 3.37Å; P323-Y327 WeakPolarHBondContact O-CD2 3.36Å; P323-Y327 VanDerWaalsContact O-CE2 3.28Å; P323-Y327 WeakPolarHBondContact O-CE2 3.06Å; L324-Y327 PolarHBondContact O-N 3.46Å; C325-Y327 VanDerWaalsContact C-N 3.29Å; Y327-P455 HydrophobicContact CD2-CG 3.74Å; Y327-P455 VanDerWaalsContact CE2-CD 3.46Å; Y327-P455 HydrophobicContact CE2-CG 3.58Å; Y327-P455 HydrophobicContact CG-CG 4.3Å; Y327-Q1055 WeakPolarHBondContact O-CB 3.21Å; Y327-Q1055 WeakPolarHBondContact O-CG 3.17Å |
| 328 | W | 93.8 | Very high | 95.1 | Very high | 164 Ų | 164 | 41.1 Ų | 41.1 | 62% | 0.621 | 20% | 0.2 | S | C | * | . | trans | -76.8 | 136 | 162.4 | -61 | -38 | 0 | 0 | 0 | 110.2 | W1050 Q1055 | W328-W1050 AromaticContact CD1-CD1 3.63Å; W328-W1050 HydrophobicContact CD2-CB 4.46Å; W328-W1050 AromaticContact CD2-CD1 3.97Å; W328-W1050 HydrophobicContact CD2-CG 4.22Å; W328-W1050 AromaticContact CE2-CD1 3.99Å; W328-W1050 AromaticContact CG-CD1 3.76Å; W328-W1050 HydrophobicContact CG-CG 4.46Å; W328-W1050 HydrophobicContact CH2-CB 4.49Å; W328-W1050 HydrophobicContact CZ2-CB 3.8Å; W328-W1050 HydrophobicContact CZ2-CG 4.39Å; W328-W1050 AromaticContact NE1-CD1 3.76Å; W328-Q1055 WeakPolarHBondContact CA-O 3.39Å | ||
| 329 | I | 95.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113 | -175.8 | -57.1 | 174.1 | 0 | 0 | 0 | 107.7 | L324 S331 R360 C361 I413 L1029 Q1055 M1056 | L324-I329 HydrophobicContact CD1-CD1 4.05Å; L324-I329 HydrophobicContact CG-CD1 4.11Å; I329-S331 PolarHBondContact O-N 3.08Å; I329-S331 VanDerWaalsContact O-N 3.11Å; I329-R360 HydrophobicContact CG2-CB 3.8Å; I329-C361 HydrophobicContact CG2-CB 4.35Å; I329-I413 HydrophobicContact CD1-CD1 4.06Å; I329-I413 HydrophobicContact CG2-CD1 4.49Å; I329-L1029 HydrophobicContact CD1-CD2 4.28Å; I329-Q1055 PolarHBondContact N-O 2.98Å; I329-M1056 HydrophobicContact CB-CG 3.95Å; I329-M1056 HydrophobicContact CD1-CG 4.13Å; I329-M1056 HydrophobicContact CG2-CG 4.35Å |
| 330 | S | 93.5 | Very high | 94.7 | Very high | 32 Ų | 32 | 36 Ų | 36 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 114.3 | 174.9 | -173.3 | 0 | 0 | 0 | 0 | 110 | C359 R360 C361 Y1061 | S330-C359 PolarHBondContact O-SG 2.7Å; S330-R360 CarbonylContact O-C 3.56Å; S330-R360 PolarHBondContact O-N 3.03Å; S330-C361 PolarHBondContact O-N 3.14Å; S330-Y1061 PolarHBondContact OG-OH 3.33Å |
| 331 | S | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.2 | -170.2 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | I329 C361 A1058 L1059 Y1061 | I329-S331 PolarHBondContact O-N 3.08Å; I329-S331 VanDerWaalsContact O-N 3.11Å; S331-C361 WeakPolarHBondContact CA-O 3.26Å; S331-A1058 VanDerWaalsContact O-CA 3.29Å; S331-A1058 WeakPolarHBondContact O-CA 3.23Å; S331-L1059 PolarHBondContact O-N 3.44Å; S331-L1059 VanDerWaalsContact O-N 3.08Å; S331-Y1061 WeakPolarHBondContact O-CE2 3.4Å |
| 332 | S | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 147.1 | 175.6 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | T335 C359 C361 R1031 L1059 | S332-T335 WeakPolarHBondContact CB-OG1 3.45Å; S332-T335 WeakPolarHBondContact OG-CA 3.42Å; S332-T335 WeakPolarHBondContact OG-CB 3.28Å; S332-T335 PolarHBondContact OG-OG1 3.24Å; S332-C359 PolarHBondContact N-SG 3.38Å; S332-C359 VanDerWaalsContact N-SG 3.43Å; S332-C361 PolarHBondContact N-O 3.47Å; S332-R1031 PolarHBondContact O-NH2 3.37Å; S332-L1059 CarbonylContact C-O 3.57Å; S332-L1059 WeakPolarHBondContact CA-O 3.42Å |
| 333 | H | 95.5 | Very high | 92.1 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 7% | 0.069 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -111.5 | 136.3 | 171.8 | -179.9 | -103.9 | 0 | 0 | 0 | 110 | T335 E363 P1034 A1058 L1059 N1060 | H333-T335 VanDerWaalsContact C-N 3.26Å; H333-T335 PolarHBondContact O-N 3.36Å; H333-E363 VanDerWaalsContact CA-OE2 3.27Å; H333-E363 WeakPolarHBondContact CA-OE2 3.31Å; H333-E363 IonicContact CD2-OE2 2.82Å; H333-E363 PolarHBondContact CD2-OE2 2.81Å; H333-E363 IonicContact CG-OE2 2.7Å; H333-E363 IonicContact NE2-OE2 3.8Å; H333-P1034 HydrophobicContact CB-CG 4.24Å; H333-P1034 VanDerWaalsContact CG-CD 3.44Å; H333-A1058 HydrophobicContact CB-CB 4.03Å; H333-L1059 PolarHBondContact N-O 3.03Å; H333-N1060 PolarHBondContact ND1-OD1 3.03Å |
| 334 | N | 95.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 44.6 | 51.1 | -174.6 | -68.2 | -12.5 | 0 | 0 | 0 | 112.5 | Y336 L337 Q341 E363 | N334-Y336 PolarHBondContact O-N 2.69Å; N334-L337 HydrophobicContact CB-CD1 3.74Å; N334-L337 HydrophobicContact CB-CG 4.1Å; N334-L337 PolarHBondContact O-N 2.94Å; N334-Q341 PolarHBondContact ND2-NE2 3.36Å; N334-E363 PolarHBondContact N-OE2 2.96Å |
| 335 | T | 96.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.6 | -167.5 | -52.5 | 0 | 0 | 0 | 0 | 114.3 | S332 H333 L337 A350 Y351 A354 V362 E363 | S332-T335 WeakPolarHBondContact CB-OG1 3.45Å; S332-T335 WeakPolarHBondContact OG-CA 3.42Å; S332-T335 WeakPolarHBondContact OG-CB 3.28Å; S332-T335 PolarHBondContact OG-OG1 3.24Å; H333-T335 VanDerWaalsContact C-N 3.26Å; H333-T335 PolarHBondContact O-N 3.36Å; T335-L337 VanDerWaalsContact C-N 3.33Å; T335-L337 PolarHBondContact O-N 3.33Å; T335-A350 WeakPolarHBondContact O-CB 3.49Å; T335-Y351 HydrophobicContact CG2-CD1 3.56Å; T335-Y351 HydrophobicContact CG2-CE1 3.78Å; T335-Y351 HydrophobicContact CG2-CG 4.23Å; T335-A354 HydrophobicContact CG2-CB 3.76Å; T335-V362 HydrophobicContact CG2-CB 4.09Å; T335-V362 HydrophobicContact CG2-CG1 4Å; T335-E363 PolarHBondContact OG1-N 2.8Å |
| 336 | Y | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -21.4 | 179 | 49.2 | -92 | 0 | 0 | 0 | 113.9 | N334 S346 S347 Y351 D365 V381 H383 | N334-Y336 PolarHBondContact O-N 2.69Å; Y336-S346 WeakPolarHBondContact CD2-OG 3.44Å; Y336-S346 CarbonylContact O-C 3.54Å; Y336-S346 WeakPolarHBondContact O-CA 3.46Å; Y336-S347 PolarHBondContact O-N 2.98Å; Y336-Y351 WeakPolarHBondContact CD1-OH 3.35Å; Y336-D365 HydrophobicContact CE1-CB 3.77Å; Y336-D365 WeakPolarHBondContact OH-CB 3.49Å; Y336-V381 HydrophobicContact CD1-CG1 3.71Å; Y336-V381 HydrophobicContact CE1-CG1 4.19Å; Y336-V381 HydrophobicContact CG-CG1 4.1Å; Y336-H383 HydrophobicContact CE2-CB 3.99Å; Y336-H383 VanDerWaalsContact CE2-N 3.31Å; Y336-H383 VanDerWaalsContact OH-CA 3.22Å; Y336-H383 WeakPolarHBondContact OH-CA 3.38Å; Y336-H383 WeakPolarHBondContact OH-CB 3.37Å; Y336-H383 PolarHBondContact OH-N 3.08Å |
| 337 | L | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -78.2 | 143.1 | -174.2 | -65.5 | -179.6 | 0 | 0 | 0 | 113.4 | N334 T335 Q341 T388 Q1062 | N334-L337 HydrophobicContact CB-CD1 3.74Å; N334-L337 HydrophobicContact CB-CG 4.1Å; N334-L337 PolarHBondContact O-N 2.94Å; T335-L337 VanDerWaalsContact C-N 3.33Å; T335-L337 PolarHBondContact O-N 3.33Å; L337-Q341 HydrophobicContact CD1-CG 4.42Å; L337-T388 HydrophobicContact CD2-CG2 3.59Å; L337-Q1062 WeakPolarHBondContact O-CB 3.3Å |
| 338 | T | 87 | Confident | 89.5 | Confident | 33 Ų | 33 | 31 Ų | 31 | 20% | 0.202 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -101 | -8.1 | 173.7 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | V127 E345 | V127-T338 HydrophobicContact CG2-CG2 4.2Å; V127-T338 WeakPolarHBondContact CG2-O 3.08Å; T338-E345 WeakPolarHBondContact CB-O 3.45Å; T338-E345 WeakPolarHBondContact CG2-O 3.24Å; T338-E345 PolarHBondContact N-O 3.41Å; T338-E345 PolarHBondContact OG1-O 2.81Å |
| 339 | G | 88.9 | Confident | 89.1 | Confident | 21 Ų | 21 | 25.5 Ų | 25.5 | 22% | 0.216 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -154.8 | -132 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S344 S1041 Q1062 | G339-S344 VanDerWaalsContact C-OG 3.28Å; G339-S344 VanDerWaalsContact CA-CB 3.48Å; G339-S344 WeakPolarHBondContact CA-OG 3.36Å; G339-S344 PolarHBondContact N-OG 3.4Å; G339-S344 VanDerWaalsContact N-OG 3.17Å; G339-S1041 WeakPolarHBondContact O-CB 3.35Å; G339-S1041 PolarHBondContact O-OG 2.79Å; G339-Q1062 WeakPolarHBondContact O-CG 3.06Å; G339-Q1062 PolarHBondContact O-NE2 3.17Å; G339-Q1062 VanDerWaalsContact O-NE2 3.12Å |
| 340 | D | 87 | Confident | 88.9 | Confident | 50 Ų | 50 | 24.9 Ų | 24.9 | 27% | 0.267 | 14% | 0.142 | S | C | . | . | trans | -65.5 | 162 | 179.9 | 69.1 | 92.3 | 0 | 0 | 0 | 113.3 | L342 T343 S344 S1041 | D340-L342 VanDerWaalsContact C-N 3.28Å; D340-L342 PolarHBondContact O-N 2.95Å; D340-L342 WeakPolarHBondContact OD1-CA 3.48Å; D340-L342 PolarHBondContact OD1-N 3.12Å; D340-T343 PolarHBondContact OD1-N 3.37Å; D340-T343 PolarHBondContact OD1-OG1 3.15Å; D340-T343 VanDerWaalsContact OD1-OG1 3.13Å; D340-T343 PolarHBondContact OD2-OG1 3.16Å; D340-S344 PolarHBondContact N-OG 3.07Å; D340-S344 VanDerWaalsContact O-CB 3.28Å; D340-S344 WeakPolarHBondContact O-CB 3.42Å; D340-S344 PolarHBondContact O-OG 3.22Å; D340-S1041 WeakPolarHBondContact CA-OG 3.3Å | ||
| 341 | Q | 83.4 | Confident | 88.9 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 2% | 0.023 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.7 | -175.7 | -62 | -173.5 | -36.6 | 0 | 0 | 113.8 | N334 L337 H383 T386 R1038 L1039 S1041 | N334-Q341 PolarHBondContact ND2-NE2 3.36Å; L337-Q341 HydrophobicContact CD1-CG 4.42Å; Q341-H383 PolarHBondContact O-ND1 3.41Å; Q341-T386 WeakPolarHBondContact O-CG2 3.45Å; Q341-R1038 PolarHBondContact OE1-O 2.71Å; Q341-L1039 PolarHBondContact N-O 2.88Å; Q341-S1041 WeakPolarHBondContact CG-OG 3.37Å |
| 342 | L | 78.2 | Confident | 88.7 | Confident | 77 Ų | 77 | 23.6 Ų | 23.6 | 40% | 0.403 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -40.4 | -169.3 | -66.3 | -178.9 | 0 | 0 | 0 | 113.5 | D340 T386 M387 T388 L1039 | D340-L342 VanDerWaalsContact C-N 3.28Å; D340-L342 PolarHBondContact O-N 2.95Å; D340-L342 WeakPolarHBondContact OD1-CA 3.48Å; D340-L342 PolarHBondContact OD1-N 3.12Å; L342-T386 HydrophobicContact CD2-CG2 4.26Å; L342-T386 WeakPolarHBondContact O-CB 3.45Å; L342-M387 CarbonylContact O-C 3.53Å; L342-M387 WeakPolarHBondContact O-CA 3.46Å; L342-M387 WeakPolarHBondContact O-CB 3.49Å; L342-M387 PolarHBondContact O-N 2.92Å; L342-T388 PolarHBondContact O-N 2.71Å; L342-L1039 HydrophobicContact CD1-CB 4.4Å; L342-L1039 HydrophobicContact CD1-CD1 4.26Å; L342-L1039 HydrophobicContact CD1-CD2 4.41Å; L342-L1039 HydrophobicContact CD2-CD2 4.09Å; L342-L1039 HydrophobicContact CG-CD2 4.29Å |
| 343 | T | 76.4 | Confident | 88.3 | Confident | 86 Ų | 86 | 25.4 Ų | 25.4 | 53% | 0.528 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.4 | -8.2 | -166 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | D340 M387 | D340-T343 PolarHBondContact OD1-N 3.37Å; D340-T343 PolarHBondContact OD1-OG1 3.15Å; D340-T343 VanDerWaalsContact OD1-OG1 3.13Å; D340-T343 PolarHBondContact OD2-OG1 3.16Å; T343-M387 HydrophobicContact CG2-CB 4.25Å |
| 344 | S | 84.6 | Confident | 88.1 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 160 | -175.5 | 75.6 | 0 | 0 | 0 | 0 | 113.6 | G339 D340 T388 | G339-S344 VanDerWaalsContact C-OG 3.28Å; G339-S344 VanDerWaalsContact CA-CB 3.48Å; G339-S344 WeakPolarHBondContact CA-OG 3.36Å; G339-S344 PolarHBondContact N-OG 3.4Å; G339-S344 VanDerWaalsContact N-OG 3.17Å; D340-S344 PolarHBondContact N-OG 3.07Å; D340-S344 VanDerWaalsContact O-CB 3.28Å; D340-S344 WeakPolarHBondContact O-CB 3.42Å; D340-S344 PolarHBondContact O-OG 3.22Å; S344-T388 WeakPolarHBondContact O-CA 3.43Å; S344-T388 WeakPolarHBondContact O-CB 3.4Å |
| 345 | E | 85.4 | Confident | 88.1 | Confident | 92 Ų | 92 | 24.5 Ų | 24.5 | 43% | 0.43 | 14% | 0.136 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 133.5 | 176.5 | -179.5 | -176.4 | 176.3 | 0 | 0 | 110.2 | T338 | T338-E345 WeakPolarHBondContact CB-O 3.45Å; T338-E345 WeakPolarHBondContact CG2-O 3.24Å; T338-E345 PolarHBondContact N-O 3.41Å; T338-E345 PolarHBondContact OG1-O 2.81Å |
| 346 | S | 87.6 | Confident | 87.7 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 131.6 | 161.6 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | Y336 T389 L391 | Y336-S346 WeakPolarHBondContact CD2-OG 3.44Å; Y336-S346 CarbonylContact O-C 3.54Å; Y336-S346 WeakPolarHBondContact O-CA 3.46Å; S346-T389 WeakPolarHBondContact CB-O 3.41Å; S346-T389 PolarHBondContact N-OG1 2.8Å; S346-T389 PolarHBondContact O-OG1 2.59Å; S346-T389 PolarHBondContact OG-O 3.32Å; S346-L391 WeakPolarHBondContact O-CD2 3.45Å |
| 347 | S | 87.2 | Confident | 87.4 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | trans | -139.2 | 141.7 | -175.7 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | Y336 E349 A350 | Y336-S347 PolarHBondContact O-N 2.98Å; S347-E349 PolarHBondContact O-N 3.26Å; S347-E349 WeakPolarHBondContact OG-CB 3.13Å; S347-E349 PolarHBondContact OG-N 2.94Å; S347-A350 VanDerWaalsContact O-CB 3.23Å; S347-A350 WeakPolarHBondContact O-CB 3.44Å; S347-A350 PolarHBondContact O-N 3.17Å; S347-A350 VanDerWaalsContact O-N 3.15Å | ||
| 348 | L | 85.7 | Confident | 87.2 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 10% | 0.099 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -31.4 | 171.9 | -62 | 171.3 | 0 | 0 | 0 | 112.7 | V100 A350 Y351 T352 L391 D395 V396 T399 | V100-L348 HydrophobicContact CB-CD1 3.51Å; V100-L348 HydrophobicContact CG1-CD1 3.39Å; V100-L348 HydrophobicContact CG2-CD1 3.27Å; L348-A350 PolarHBondContact O-N 2.79Å; L348-A350 VanDerWaalsContact O-N 3.16Å; L348-Y351 WeakPolarHBondContact O-CB 3.34Å; L348-Y351 PolarHBondContact O-N 3.09Å; L348-T352 PolarHBondContact O-N 3.21Å; L348-T352 VanDerWaalsContact O-N 3.17Å; L348-L391 HydrophobicContact CD2-CD1 4.08Å; L348-L391 HydrophobicContact CD2-CD2 4.5Å; L348-L391 HydrophobicContact CG-CD1 4.4Å; L348-L391 HydrophobicContact CG-CD2 4.24Å; L348-D395 HydrophobicContact CD1-CB 4.22Å; L348-D395 HydrophobicContact CD2-CB 4.27Å; L348-V396 HydrophobicContact CD2-CB 4.2Å; L348-V396 HydrophobicContact CD2-CG2 3.58Å; L348-T399 HydrophobicContact CB-CG2 4.26Å |
| 349 | E | 84.2 | Confident | 87.5 | Confident | 49 Ų | 49 | 31.2 Ų | 31.2 | 23% | 0.229 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -29.8 | 176.1 | -172.3 | 60.3 | -148.1 | 0 | 0 | 110.4 | S347 Y351 T352 R353 | S347-E349 PolarHBondContact O-N 3.26Å; S347-E349 WeakPolarHBondContact OG-CB 3.13Å; S347-E349 PolarHBondContact OG-N 2.94Å; E349-Y351 VanDerWaalsContact C-N 3.32Å; E349-Y351 PolarHBondContact O-N 3.01Å; E349-T352 WeakPolarHBondContact O-CB 2.97Å; E349-T352 PolarHBondContact O-N 3.21Å; E349-R353 HydrophobicContact CG-CG 3.98Å; E349-R353 WeakPolarHBondContact O-CB 3.44Å; E349-R353 WeakPolarHBondContact O-CG 3.38Å; E349-R353 PolarHBondContact O-N 3.15Å; E349-R353 VanDerWaalsContact OE1-CD 3.26Å; E349-R353 WeakPolarHBondContact OE1-CD 3.24Å |
| 350 | A | 91 | Very high | 87.9 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F126 T335 S347 L348 A354 | F126-A350 HydrophobicContact CE1-CB 3.71Å; F126-A350 HydrophobicContact CZ-CB 3.89Å; F126-A350 WeakPolarHBondContact CZ-O 3.46Å; T335-A350 WeakPolarHBondContact O-CB 3.49Å; S347-A350 VanDerWaalsContact O-CB 3.23Å; S347-A350 WeakPolarHBondContact O-CB 3.44Å; S347-A350 PolarHBondContact O-N 3.17Å; S347-A350 VanDerWaalsContact O-N 3.15Å; L348-A350 PolarHBondContact O-N 2.79Å; L348-A350 VanDerWaalsContact O-N 3.16Å; A350-A354 WeakPolarHBondContact O-CB 3.23Å; A350-A354 PolarHBondContact O-N 3.4Å |
| 351 | Y | 94.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 170.7 | -71.1 | -75.5 | 0 | 0 | 0 | 112.1 | T335 Y336 L348 E349 R353 A354 L355 V362 E363 L364 L391 V396 I400 | T335-Y351 HydrophobicContact CG2-CD1 3.56Å; T335-Y351 HydrophobicContact CG2-CE1 3.78Å; T335-Y351 HydrophobicContact CG2-CG 4.23Å; Y336-Y351 WeakPolarHBondContact CD1-OH 3.35Å; L348-Y351 WeakPolarHBondContact O-CB 3.34Å; L348-Y351 PolarHBondContact O-N 3.09Å; E349-Y351 VanDerWaalsContact C-N 3.32Å; E349-Y351 PolarHBondContact O-N 3.01Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 3.21Å; Y351-A354 PolarHBondContact O-N 3.33Å; Y351-L355 WeakPolarHBondContact O-CB 3.39Å; Y351-L355 VanDerWaalsContact O-CG 3.3Å; Y351-L355 WeakPolarHBondContact O-CG 3.19Å; Y351-L355 PolarHBondContact O-N 3.39Å; Y351-V362 HydrophobicContact CD1-CB 4.2Å; Y351-V362 HydrophobicContact CD1-CG2 4.37Å; Y351-V362 HydrophobicContact CE1-CB 4.22Å; Y351-V362 HydrophobicContact CE1-CG2 4.39Å; Y351-E363 WeakPolarHBondContact CE1-O 3.41Å; Y351-E363 PolarHBondContact OH-O 2.92Å; Y351-L364 HydrophobicContact CE1-CD1 4.48Å; Y351-L364 HydrophobicContact CE1-CG 4.38Å; Y351-L391 HydrophobicContact CE2-CD1 4.42Å; Y351-V396 HydrophobicContact CD2-CG1 3.92Å; Y351-V396 HydrophobicContact CD2-CG2 4.46Å; Y351-V396 HydrophobicContact CE1-CG1 4.21Å; Y351-V396 HydrophobicContact CE2-CB 4.32Å; Y351-V396 HydrophobicContact CE2-CG1 3.46Å; Y351-V396 VanDerWaalsContact CE2-CG1 3.46Å; Y351-V396 HydrophobicContact CE2-CG2 3.92Å; Y351-V396 HydrophobicContact CG-CG1 4.46Å; Y351-I400 HydrophobicContact CD1-CD1 3.87Å; Y351-I400 HydrophobicContact CD1-CG1 3.98Å; Y351-I400 HydrophobicContact CE1-CD1 4.04Å; Y351-I400 HydrophobicContact CG-CD1 4.44Å; Y351-I400 HydrophobicContact CG-CG1 4.22Å |
| 352 | T | 90 | Very high | 89.2 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.7 | -49.5 | 176.6 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | L348 E349 L355 L356 T399 Y403 | L348-T352 PolarHBondContact O-N 3.21Å; L348-T352 VanDerWaalsContact O-N 3.17Å; E349-T352 WeakPolarHBondContact O-CB 2.97Å; E349-T352 PolarHBondContact O-N 3.21Å; T352-L355 PolarHBondContact O-N 3.41Å; T352-L356 HydrophobicContact CG2-CD1 3.77Å; T352-L356 HydrophobicContact CG2-CG 4.34Å; T352-L356 WeakPolarHBondContact O-CB 3.43Å; T352-L356 VanDerWaalsContact O-CG 3.24Å; T352-L356 WeakPolarHBondContact O-CG 3.25Å; T352-L356 PolarHBondContact O-N 3Å; T352-T399 WeakPolarHBondContact OG1-CG2 3.36Å; T352-Y403 HydrophobicContact CG2-CD1 3.9Å; T352-Y403 HydrophobicContact CG2-CD2 3.8Å; T352-Y403 HydrophobicContact CG2-CE1 3.72Å; T352-Y403 HydrophobicContact CG2-CE2 3.63Å; T352-Y403 HydrophobicContact CG2-CG 3.94Å; T352-Y403 VanDerWaalsContact OG1-CD2 3.29Å; T352-Y403 WeakPolarHBondContact OG1-CD2 3.42Å; T352-Y403 WeakPolarHBondContact OG1-CE2 3.11Å |
| 353 | R | 87.5 | Confident | 90.2 | Very high | 38 Ų | 38 | 25.2 Ų | 25.2 | 14% | 0.143 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | -179.5 | -65.9 | -57.8 | -55.3 | 157.2 | 10.1 | 111.8 | F126 E349 Y351 L355 L356 M357 | F126-R353 HydrophobicContact CD2-CB 3.84Å; F126-R353 HydrophobicContact CE2-CB 3.55Å; F126-R353 HydrophobicContact CZ-CB 4.05Å; F126-R353 WeakPolarHBondContact O-CG 3.29Å; E349-R353 HydrophobicContact CG-CG 3.98Å; E349-R353 WeakPolarHBondContact O-CB 3.44Å; E349-R353 WeakPolarHBondContact O-CG 3.38Å; E349-R353 PolarHBondContact O-N 3.15Å; E349-R353 VanDerWaalsContact OE1-CD 3.26Å; E349-R353 WeakPolarHBondContact OE1-CD 3.24Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 3.21Å; R353-L355 VanDerWaalsContact C-N 3.34Å; R353-L355 PolarHBondContact O-N 3.43Å; R353-L356 PolarHBondContact O-N 3.1Å; R353-M357 VanDerWaalsContact O-CB 3.26Å; R353-M357 WeakPolarHBondContact O-CB 3.21Å; R353-M357 WeakPolarHBondContact O-CG 3.38Å; R353-M357 PolarHBondContact O-N 3.35Å |
| 354 | A | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F126 T335 A350 Y351 M357 C359 V362 Y1061 | F126-A354 HydrophobicContact CE2-CB 4.29Å; T335-A354 HydrophobicContact CG2-CB 3.76Å; A350-A354 WeakPolarHBondContact O-CB 3.23Å; A350-A354 PolarHBondContact O-N 3.4Å; Y351-A354 PolarHBondContact O-N 3.33Å; A354-M357 CarbonylContact O-C 3.54Å; A354-M357 PolarHBondContact O-N 2.86Å; A354-M357 VanDerWaalsContact O-N 3.15Å; A354-C359 HydrophobicContact CB-CB 4.03Å; A354-C359 WeakPolarHBondContact O-CB 3.48Å; A354-C359 PolarHBondContact O-N 3.44Å; A354-V362 HydrophobicContact CB-CG1 4.46Å; A354-Y1061 HydrophobicContact CB-CD1 4.18Å; A354-Y1061 HydrophobicContact CB-CE1 4.42Å |
| 355 | L | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | -179.4 | -67.9 | 169.9 | 0 | 0 | 0 | 112.4 | Y351 T352 R353 M357 N358 V362 I400 T407 L412 | Y351-L355 WeakPolarHBondContact O-CB 3.39Å; Y351-L355 VanDerWaalsContact O-CG 3.3Å; Y351-L355 WeakPolarHBondContact O-CG 3.19Å; Y351-L355 PolarHBondContact O-N 3.39Å; T352-L355 PolarHBondContact O-N 3.41Å; R353-L355 VanDerWaalsContact C-N 3.34Å; R353-L355 PolarHBondContact O-N 3.43Å; L355-M357 PolarHBondContact O-N 2.93Å; L355-N358 PolarHBondContact O-N 2.91Å; L355-V362 HydrophobicContact CD2-CG1 4.17Å; L355-I400 HydrophobicContact CD1-CB 4.48Å; L355-I400 HydrophobicContact CD1-CG1 4.45Å; L355-I400 HydrophobicContact CD1-CG2 4.32Å; L355-T407 PolarHBondContact O-OG1 3.01Å; L355-T407 VanDerWaalsContact O-OG1 3.08Å; L355-L412 HydrophobicContact CD2-CD1 3.58Å; L355-L412 HydrophobicContact CD2-CD2 3.85Å; L355-L412 HydrophobicContact CD2-CG 4.38Å |
| 356 | L | 89.6 | Confident | 92.5 | Very high | 57 Ų | 57 | 16.3 Ų | 16.3 | 30% | 0.298 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -65.6 | -16.7 | 174.8 | -69.5 | 177.3 | 0 | 0 | 0 | 113.4 | T352 R353 N358 Y403 V406 T407 | T352-L356 HydrophobicContact CG2-CD1 3.77Å; T352-L356 HydrophobicContact CG2-CG 4.34Å; T352-L356 WeakPolarHBondContact O-CB 3.43Å; T352-L356 VanDerWaalsContact O-CG 3.24Å; T352-L356 WeakPolarHBondContact O-CG 3.25Å; T352-L356 PolarHBondContact O-N 3Å; R353-L356 PolarHBondContact O-N 3.1Å; L356-N358 VanDerWaalsContact C-N 3.27Å; L356-Y403 HydrophobicContact CD2-CD1 4.18Å; L356-Y403 HydrophobicContact CG-CD1 4.33Å; L356-V406 HydrophobicContact CD2-CB 4.28Å; L356-V406 HydrophobicContact CD2-CG1 3.81Å; L356-T407 HydrophobicContact CD2-CG2 3.92Å |
| 357 | M | 87.7 | Confident | 92.9 | Very high | 35 Ų | 35 | 18.2 Ų | 18.2 | 17% | 0.172 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 26.1 | 173.1 | -69 | 170 | 69.3 | 0 | 0 | 111.4 | F126 R353 A354 L355 C359 Y1061 L1072 | F126-M357 HydrophobicContact CD2-SD 3.91Å; F126-M357 HydrophobicContact CE2-SD 4.46Å; R353-M357 VanDerWaalsContact O-CB 3.26Å; R353-M357 WeakPolarHBondContact O-CB 3.21Å; R353-M357 WeakPolarHBondContact O-CG 3.38Å; R353-M357 PolarHBondContact O-N 3.35Å; A354-M357 CarbonylContact O-C 3.54Å; A354-M357 PolarHBondContact O-N 2.86Å; A354-M357 VanDerWaalsContact O-N 3.15Å; L355-M357 PolarHBondContact O-N 2.93Å; M357-C359 PolarHBondContact O-N 3.44Å; M357-C359 VanDerWaalsContact O-N 3.1Å; M357-Y1061 HydrophobicContact CB-CE1 4.41Å; M357-L1072 HydrophobicContact CB-CD2 3.75Å; M357-L1072 HydrophobicContact CE-CD1 3.2Å; M357-L1072 HydrophobicContact CE-CD2 3.4Å; M357-L1072 VanDerWaalsContact CE-CD2 3.4Å; M357-L1072 HydrophobicContact CE-CG 3.92Å; M357-L1072 HydrophobicContact CG-CD2 4.28Å |
| 358 | N | 89.9 | Confident | 93.1 | Very high | 82 Ų | 82 | 19.8 Ų | 19.8 | 44% | 0.439 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 18.9 | 179.3 | -70 | -38.1 | 0 | 0 | 0 | 115.2 | L355 L356 R360 T407 | L355-N358 PolarHBondContact O-N 2.91Å; L356-N358 VanDerWaalsContact C-N 3.27Å; N358-R360 PolarHBondContact O-N 3.08Å; N358-T407 WeakPolarHBondContact OD1-CB 3.47Å; N358-T407 PolarHBondContact OD1-O 3.1Å; N358-T407 PolarHBondContact OD1-OG1 2.89Å |
| 359 | C | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -61.2 | 128 | 172.2 | -169.8 | 0 | 0 | 0 | 0 | 109.7 | S330 S332 A354 M357 C361 Y1061 | S330-C359 PolarHBondContact O-SG 2.7Å; S332-C359 PolarHBondContact N-SG 3.38Å; S332-C359 VanDerWaalsContact N-SG 3.43Å; A354-C359 HydrophobicContact CB-CB 4.03Å; A354-C359 WeakPolarHBondContact O-CB 3.48Å; A354-C359 PolarHBondContact O-N 3.44Å; M357-C359 PolarHBondContact O-N 3.44Å; M357-C359 VanDerWaalsContact O-N 3.1Å; C359-C361 PolarHBondContact SG-O 3.06Å; C359-Y1061 HydrophobicContact CB-CE1 3.88Å | ||
| 360 | R | 97 | Very high | 92.7 | Very high | 21 Ų | 21 | 22 Ų | 22 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | trans | -112.7 | 1.5 | -178.9 | -64.5 | -59.3 | 82.8 | -173 | 0.4 | 113.1 | I329 S330 N358 A404 S408 Y410 I413 | I329-R360 HydrophobicContact CG2-CB 3.8Å; S330-R360 CarbonylContact O-C 3.56Å; S330-R360 PolarHBondContact O-N 3.03Å; N358-R360 PolarHBondContact O-N 3.08Å; R360-A404 VanDerWaalsContact CZ-O 3.27Å; R360-A404 PolarHBondContact NH1-O 2.79Å; R360-A404 PolarHBondContact NH2-O 3.16Å; R360-S408 PolarHBondContact NH1-O 3.27Å; R360-Y410 PolarHBondContact NH1-O 2.98Å; R360-I413 PolarHBondContact O-N 3.26Å | ||
| 361 | C | 98.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 119.2 | 164.4 | 176.4 | 0 | 0 | 0 | 0 | 112 | I329 S330 S331 S332 C359 I413 M1056 | I329-C361 HydrophobicContact CG2-CB 4.35Å; S330-C361 PolarHBondContact O-N 3.14Å; S331-C361 WeakPolarHBondContact CA-O 3.26Å; S332-C361 PolarHBondContact N-O 3.47Å; C359-C361 PolarHBondContact SG-O 3.06Å; C361-I413 VanDerWaalsContact CA-O 3.25Å; C361-I413 WeakPolarHBondContact CA-O 3.12Å; C361-I413 HydrophobicContact CB-CB 4.04Å; C361-M1056 HydrophobicContact CB-CE 3.49Å; C361-M1056 VanDerWaalsContact CB-CE 3.49Å; C361-M1056 WeakPolarHBondContact SG-CE 3.15Å |
| 362 | V | 98.6 | Very high | 90 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 152.7 | 179 | -62.6 | 0 | 0 | 0 | 0 | 111 | T335 Y351 A354 L355 L364 I400 L412 I413 L414 S415 | T335-V362 HydrophobicContact CG2-CB 4.09Å; T335-V362 HydrophobicContact CG2-CG1 4Å; Y351-V362 HydrophobicContact CD1-CB 4.2Å; Y351-V362 HydrophobicContact CD1-CG2 4.37Å; Y351-V362 HydrophobicContact CE1-CB 4.22Å; Y351-V362 HydrophobicContact CE1-CG2 4.39Å; A354-V362 HydrophobicContact CB-CG1 4.46Å; L355-V362 HydrophobicContact CD2-CG1 4.17Å; V362-L364 HydrophobicContact CG2-CD1 4.33Å; V362-I400 HydrophobicContact CG2-CD1 4.2Å; V362-L412 HydrophobicContact CG1-CD1 4.45Å; V362-L412 HydrophobicContact CG2-CD1 4.32Å; V362-I413 PolarHBondContact N-O 3.25Å; V362-L414 HydrophobicContact CG2-CD2 3.51Å; V362-S415 PolarHBondContact O-N 2.96Å |
| 363 | E | 98.4 | Very high | 88.6 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.4 | -175.2 | -175 | 153 | -122.4 | 0 | 0 | 112.4 | H333 N334 T335 Y351 S415 R1031 | H333-E363 VanDerWaalsContact CA-OE2 3.27Å; H333-E363 WeakPolarHBondContact CA-OE2 3.31Å; H333-E363 IonicContact CD2-OE2 2.82Å; H333-E363 PolarHBondContact CD2-OE2 2.81Å; H333-E363 IonicContact CG-OE2 2.7Å; H333-E363 IonicContact NE2-OE2 3.8Å; N334-E363 PolarHBondContact N-OE2 2.96Å; T335-E363 PolarHBondContact OG1-N 2.8Å; Y351-E363 WeakPolarHBondContact CE1-O 3.41Å; Y351-E363 PolarHBondContact OH-O 2.92Å; E363-S415 WeakPolarHBondContact CA-O 3.28Å; E363-R1031 VanDerWaalsContact CD-NH2 3.26Å; E363-R1031 IonicContact OE1-CZ 3.67Å; E363-R1031 IonicContact OE1-NH1 3.86Å; E363-R1031 PolarHBondContact OE1-NH1 3.04Å; E363-R1031 IonicContact OE1-NH2 3.41Å; E363-R1031 PolarHBondContact OE1-NH2 2.9Å; E363-R1031 IonicContact OE2-CZ 3.79Å; E363-R1031 IonicContact OE2-NH1 3.21Å; E363-R1031 IonicContact OE2-NH2 3.21Å; E363-R1031 PolarHBondContact OE2-NH2 3.34Å |
| 364 | L | 98.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116.3 | 176.5 | -64 | 84 | 0 | 0 | 0 | 108.3 | Y351 V362 L393 V396 L397 I400 L414 S415 E417 | Y351-L364 HydrophobicContact CE1-CD1 4.48Å; Y351-L364 HydrophobicContact CE1-CG 4.38Å; V362-L364 HydrophobicContact CG2-CD1 4.33Å; L364-L393 HydrophobicContact CD2-CD1 4.12Å; L364-V396 HydrophobicContact CD2-CG1 3.81Å; L364-V396 HydrophobicContact CG-CG1 4.36Å; L364-L397 HydrophobicContact CD2-CD2 3.93Å; L364-I400 HydrophobicContact CD1-CD1 4.27Å; L364-I400 HydrophobicContact CD2-CD1 4.31Å; L364-L414 HydrophobicContact CD1-CB 4.16Å; L364-L414 HydrophobicContact CD1-CD2 4.27Å; L364-S415 PolarHBondContact N-O 3.02Å; L364-E417 PolarHBondContact O-N 2.79Å |
| 365 | D | 98.1 | Very high | 85.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 93.9 | 174.7 | -173.9 | -1.3 | 0 | 0 | 0 | 108.7 | Y336 W367 V381 Y382 H383 G384 E417 N419 | Y336-D365 HydrophobicContact CE1-CB 3.77Å; Y336-D365 WeakPolarHBondContact OH-CB 3.49Å; D365-W367 PolarHBondContact OD1-NE1 3.04Å; D365-V381 VanDerWaalsContact O-CA 3.27Å; D365-V381 WeakPolarHBondContact O-CA 3.39Å; D365-Y382 VanDerWaalsContact CB-O 3.31Å; D365-Y382 WeakPolarHBondContact CB-O 3.46Å; D365-Y382 PolarHBondContact O-N 2.87Å; D365-H383 IonicContact OD2-CD2 3.86Å; D365-G384 PolarHBondContact OD2-N 3.32Å; D365-E417 CarbonylContact C-O 3.58Å; D365-E417 WeakPolarHBondContact CA-O 2.95Å; D365-E417 HydrophobicContact CB-CB 4.39Å; D365-N419 PolarHBondContact OD1-ND2 2.93Å |
| 366 | C | 98.2 | Very high | 85 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130 | -168.2 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | I379 E417 N419 L428 | C366-I379 HydrophobicContact CB-CG2 4.12Å; C366-E417 PolarHBondContact N-O 3Å; C366-N419 CarbonylContact O-C 3.36Å; C366-N419 WeakPolarHBondContact O-CA 3.39Å; C366-N419 WeakPolarHBondContact O-CB 3.41Å; C366-N419 PolarHBondContact O-N 3.01Å; C366-L428 HydrophobicContact CB-CD2 4.37Å |
| 367 | W | 96.2 | Very high | 84.7 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 16% | 0.163 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.8 | 178.9 | -67.8 | 76.7 | 0 | 0 | 0 | 111.6 | D365 G369 V380 Y382 H385 N419 | D365-W367 PolarHBondContact OD1-NE1 3.04Å; W367-G369 PolarHBondContact O-N 3.3Å; W367-V380 HydrophobicContact CB-CG2 4.07Å; W367-V380 PolarHBondContact N-O 2.77Å; W367-V380 PolarHBondContact O-N 3.36Å; W367-Y382 HydrophobicContact CB-CD1 4.37Å; W367-Y382 HydrophobicContact CB-CE1 3.67Å; W367-Y382 AromaticContact CD1-CD1 3.76Å; W367-Y382 AromaticContact CD1-CE1 3.46Å; W367-Y382 VanDerWaalsContact CD1-CE1 3.46Å; W367-Y382 HydrophobicContact CD2-CE1 4.01Å; W367-Y382 HydrophobicContact CG-CD1 4.12Å; W367-Y382 AromaticContact CG-CE1 3.4Å; W367-Y382 HydrophobicContact CG-CE1 3.4Å; W367-Y382 VanDerWaalsContact CG-CE1 3.4Å; W367-H385 AromaticContact CH2-CE1 3.99Å; W367-H385 AromaticContact CH2-NE2 3.84Å; W367-N419 HydrophobicContact CD2-CB 3.44Å; W367-N419 VanDerWaalsContact CD2-CB 3.44Å; W367-N419 VanDerWaalsContact CE2-CG 3.47Å; W367-N419 HydrophobicContact CE3-CB 3.63Å; W367-N419 HydrophobicContact CG-CB 4Å; W367-N419 HydrophobicContact CH2-CB 3.76Å; W367-N419 HydrophobicContact CZ2-CB 3.55Å; W367-N419 VanDerWaalsContact CZ2-ND2 3.28Å; W367-N419 WeakPolarHBondContact CZ2-ND2 3.27Å; W367-N419 HydrophobicContact CZ3-CB 3.8Å; W367-N419 PolarHBondContact NE1-ND2 2.78Å |
| 368 | D | 92.9 | Very high | 84.7 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 120.8 | 166 | -67.1 | 9.9 | 0 | 0 | 0 | 109.3 | C420 T421 Y424 | D368-C420 WeakPolarHBondContact OD1-CA 3.11Å; D368-C420 WeakPolarHBondContact OD1-CB 3.48Å; D368-T421 PolarHBondContact OD1-N 2.78Å; D368-T421 WeakPolarHBondContact OD2-CB 3.4Å; D368-T421 WeakPolarHBondContact OD2-CG2 3.47Å; D368-T421 PolarHBondContact OD2-N 2.87Å; D368-T421 PolarHBondContact OD2-OG1 2.83Å; D368-Y424 HydrophobicContact CB-CD1 4.39Å; D368-Y424 HydrophobicContact CB-CD2 4.21Å; D368-Y424 HydrophobicContact CB-CE1 4.31Å; D368-Y424 HydrophobicContact CB-CE2 4.06Å; D368-Y424 HydrophobicContact CB-CG 4.32Å; D368-Y424 VanDerWaalsContact CG-CD2 3.42Å; D368-Y424 VanDerWaalsContact OD1-CB 3.27Å; D368-Y424 WeakPolarHBondContact OD1-CB 3.46Å; D368-Y424 WeakPolarHBondContact OD1-CD2 3.32Å; D368-Y424 VanDerWaalsContact OD1-CG 3.28Å; D368-Y424 WeakPolarHBondContact OD2-CD2 3.25Å |
| 369 | G | 85.4 | Confident | 84.9 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 19% | 0.186 | 21% | 0.214 | C | C | . | . | trans | -89.5 | -158.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W367 E378 | W367-G369 PolarHBondContact O-N 3.3Å; G369-E378 WeakPolarHBondContact CA-O 3.13Å; G369-E378 PolarHBondContact N-O 2.75Å | ||
| 370 | Q | 74.9 | Confident | 84.9 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 45% | 0.449 | 22% | 0.218 | S | C | . | . | trans | -86.3 | 123.8 | -176.8 | -154.5 | 168.4 | -1.8 | 0 | 0 | 109.8 | R372 Y786 N790 | Q370-R372 PolarHBondContact O-N 3.34Å; Q370-Y786 PolarHBondContact NE2-OH 2.87Å; Q370-N790 PolarHBondContact NE2-OD1 3.13Å | ||
| 371 | K | 65.1 | Low | 84.8 | Confident | 90 Ų | 90 | 41.2 Ų | 41.2 | 39% | 0.391 | 21% | 0.214 | S | C | . | . | trans | -67.2 | 118 | 174.9 | -70.6 | -175.1 | 179.3 | 179.6 | 0 | 109.9 | Y424 | K371-Y424 WeakPolarHBondContact CG-OH 3.31Š| ||
| 372 | R | 63.5 | Low | 84.6 | Confident | 140 Ų | 140 | 42.4 Ų | 42.4 | 53% | 0.528 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -85.4 | -38.6 | 176 | -63 | -179.1 | -175.8 | -167.7 | 1.5 | 111.4 | Q370 E378 | Q370-R372 PolarHBondContact O-N 3.34Å; R372-E378 IonicContact CZ-OE1 3.14Å; R372-E378 IonicContact CZ-OE2 3.55Å; R372-E378 IonicContact NE-OE2 3.2Å; R372-E378 PolarHBondContact NE-OE2 2.95Å; R372-E378 VanDerWaalsContact NH2-CD 3.33Å; R372-E378 IonicContact NH2-OE1 2.79Å; R372-E378 PolarHBondContact NH2-OE1 3.29Å; R372-E378 IonicContact NH2-OE2 3.64Å; R372-E378 PolarHBondContact NH2-OE2 3.33Å |
| 373 | T | 60.5 | Low | 84.1 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 28% | 0.282 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -140.6 | 169.7 | 172.9 | 71.8 | 0 | 0 | 0 | 0 | 109.2 | T375 D376 | T373-T375 PolarHBondContact O-N 3.23Å; T373-T375 PolarHBondContact OG1-N 2.81Å; T373-T375 PolarHBondContact OG1-OG1 3.47Å; T373-D376 PolarHBondContact O-N 3.27Å; T373-D376 WeakPolarHBondContact OG1-CB 3.46Å; T373-D376 PolarHBondContact OG1-N 3.18Å |
| 374 | P | 58.8 | Low | 83.4 | Confident | 90 Ų | 90 | 44.7 Ų | 44.7 | 58% | 0.584 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -58.5 | -28 | 176.8 | -24.3 | 34.5 | 0 | 0 | 0 | 113.7 | ||
| 375 | T | 64.5 | Low | 82.4 | Confident | 127 Ų | 127 | 50.7 Ų | 50.7 | 78% | 0.779 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -101.6 | -18.1 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | T373 | T373-T375 PolarHBondContact O-N 3.23Å; T373-T375 PolarHBondContact OG1-N 2.81Å; T373-T375 PolarHBondContact OG1-OG1 3.47Å |
| 376 | D | 74.6 | Confident | 81.5 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | trans | -95.7 | 98.2 | -177.9 | -166.9 | 16 | 0 | 0 | 0 | 110.8 | T373 | T373-D376 PolarHBondContact O-N 3.27Å; T373-D376 WeakPolarHBondContact OG1-CB 3.46Å; T373-D376 PolarHBondContact OG1-N 3.18Å | ||
| 377 | L | 83.9 | Confident | 80.4 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | trans | -92.3 | 106.5 | 179.9 | -60.6 | -177.9 | 0 | 0 | 0 | 109.9 | P423 Y424 Q427 | L377-P423 HydrophobicContact CD1-CB 4.01Å; L377-Y424 HydrophobicContact CB-CD1 3.86Å; L377-Y424 HydrophobicContact CB-CE1 3.67Å; L377-Y424 HydrophobicContact CB-CG 4.45Å; L377-Y424 HydrophobicContact CD1-CD2 4.41Å; L377-Y424 HydrophobicContact CD1-CG 4.43Å; L377-Y424 HydrophobicContact CD2-CD2 4.24Å; L377-Y424 HydrophobicContact CD2-CE1 4.08Å; L377-Y424 HydrophobicContact CD2-CE2 3.73Å; L377-Y424 HydrophobicContact CG-CE1 4.38Å; L377-Q427 HydrophobicContact CB-CB 4.29Å; L377-Q427 HydrophobicContact CB-CG 4.18Å; L377-Q427 HydrophobicContact CD1-CB 4.28Å | ||
| 378 | E | 87.4 | Confident | 79.6 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | trans | -89.1 | 121.6 | 175.5 | 177.4 | 164.3 | -153.1 | 0 | 0 | 110.9 | G369 R372 V380 N392 Y424 | G369-E378 WeakPolarHBondContact CA-O 3.13Å; G369-E378 PolarHBondContact N-O 2.75Å; R372-E378 IonicContact CZ-OE1 3.14Å; R372-E378 IonicContact CZ-OE2 3.55Å; R372-E378 IonicContact NE-OE2 3.2Å; R372-E378 PolarHBondContact NE-OE2 2.95Å; R372-E378 VanDerWaalsContact NH2-CD 3.33Å; R372-E378 IonicContact NH2-OE1 2.79Å; R372-E378 PolarHBondContact NH2-OE1 3.29Å; R372-E378 IonicContact NH2-OE2 3.64Å; R372-E378 PolarHBondContact NH2-OE2 3.33Å; E378-V380 HydrophobicContact CG-CG1 4.36Å; E378-N392 PolarHBondContact OE1-ND2 3.26Å; E378-Y424 VanDerWaalsContact O-CE1 3.28Å; E378-Y424 WeakPolarHBondContact O-CE1 3.46Å | ||
| 379 | I | 94.2 | Very high | 79.2 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 138.8 | 172.7 | -59.7 | 159.4 | 0 | 0 | 0 | 109.1 | C366 L393 Y424 Q427 L428 | C366-I379 HydrophobicContact CB-CG2 4.12Å; I379-L393 HydrophobicContact CB-CB 3.75Å; I379-L393 HydrophobicContact CB-CD2 3.75Å; I379-L393 HydrophobicContact CB-CG 4.35Å; I379-L393 HydrophobicContact CD1-CD2 3.51Å; I379-L393 HydrophobicContact CG1-CD2 4.24Å; I379-L393 HydrophobicContact CG2-CB 3.89Å; I379-L393 HydrophobicContact CG2-CD2 3.84Å; I379-L393 HydrophobicContact CG2-CG 4.3Å; I379-L393 WeakPolarHBondContact O-CB 3.43Å; I379-L393 PolarHBondContact O-N 2.91Å; I379-Y424 WeakPolarHBondContact CD1-O 3.25Å; I379-Y424 HydrophobicContact CG1-CD1 3.74Å; I379-Q427 HydrophobicContact CD1-CB 4.12Å; I379-Q427 HydrophobicContact CD1-CG 4.19Å; I379-L428 HydrophobicContact CD1-CB 3.72Å |
| 380 | V | 93.7 | Very high | 79.3 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147 | 178.3 | -65 | 0 | 0 | 0 | 0 | 112 | W367 E378 Y382 K390 L391 | W367-V380 HydrophobicContact CB-CG2 4.07Å; W367-V380 PolarHBondContact N-O 2.77Å; W367-V380 PolarHBondContact O-N 3.36Å; E378-V380 HydrophobicContact CG-CG1 4.36Å; V380-Y382 HydrophobicContact CG2-CD1 4.14Å; V380-Y382 HydrophobicContact CG2-CE1 4.12Å; V380-K390 HydrophobicContact CB-CB 4.25Å; V380-K390 HydrophobicContact CB-CD 4.45Å; V380-K390 HydrophobicContact CG2-CD 4.11Å; V380-L391 CarbonylContact C-O 3.52Å; V380-L391 WeakPolarHBondContact CA-O 3.42Å |
| 381 | V | 95.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.3 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 110 | Y336 D365 L391 L393 V396 | Y336-V381 HydrophobicContact CD1-CG1 3.71Å; Y336-V381 HydrophobicContact CE1-CG1 4.19Å; Y336-V381 HydrophobicContact CG-CG1 4.1Å; D365-V381 VanDerWaalsContact O-CA 3.27Å; D365-V381 WeakPolarHBondContact O-CA 3.39Å; V381-L391 HydrophobicContact CB-CB 4.49Å; V381-L391 PolarHBondContact N-O 2.73Å; V381-L391 PolarHBondContact O-N 2.95Å; V381-L393 HydrophobicContact CG2-CB 4.5Å; V381-L393 HydrophobicContact CG2-CD1 3.96Å; V381-V396 HydrophobicContact CB-CG2 4.33Å; V381-V396 HydrophobicContact CG2-CG2 4.24Å |
| 382 | Y | 92.7 | Very high | 81.2 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -169.7 | 168.1 | 176.7 | 75.7 | -66.6 | 0 | 0 | 0 | 111 | D365 W367 V380 G384 T389 K390 | D365-Y382 VanDerWaalsContact CB-O 3.31Å; D365-Y382 WeakPolarHBondContact CB-O 3.46Å; D365-Y382 PolarHBondContact O-N 2.87Å; W367-Y382 HydrophobicContact CB-CD1 4.37Å; W367-Y382 HydrophobicContact CB-CE1 3.67Å; W367-Y382 AromaticContact CD1-CD1 3.76Å; W367-Y382 AromaticContact CD1-CE1 3.46Å; W367-Y382 VanDerWaalsContact CD1-CE1 3.46Å; W367-Y382 HydrophobicContact CD2-CE1 4.01Å; W367-Y382 HydrophobicContact CG-CD1 4.12Å; W367-Y382 AromaticContact CG-CE1 3.4Å; W367-Y382 HydrophobicContact CG-CE1 3.4Å; W367-Y382 VanDerWaalsContact CG-CE1 3.4Å; V380-Y382 HydrophobicContact CG2-CD1 4.14Å; V380-Y382 HydrophobicContact CG2-CE1 4.12Å; Y382-G384 PolarHBondContact O-N 3.21Å; Y382-T389 VanDerWaalsContact CB-O 3.27Å; Y382-T389 WeakPolarHBondContact CB-O 3.43Å; Y382-K390 HydrophobicContact CD1-CD 4.18Å; Y382-K390 HydrophobicContact CD1-CG 3.88Å; Y382-K390 HydrophobicContact CD2-CG 4.18Å; Y382-K390 HydrophobicContact CE1-CD 4.28Å; Y382-K390 HydrophobicContact CE1-CG 4.44Å; Y382-K390 HydrophobicContact CG-CD 4.44Å; Y382-K390 HydrophobicContact CG-CG 3.75Å |
| 383 | H | 88.2 | Confident | 82.6 | Confident | 43 Ų | 43 | 51 Ų | 51 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | trans | -78.2 | 109.9 | 177 | -174.1 | -137.5 | 0 | 0 | 0 | 110.1 | Y336 Q341 D365 T386 T388 | Y336-H383 HydrophobicContact CE2-CB 3.99Å; Y336-H383 VanDerWaalsContact CE2-N 3.31Å; Y336-H383 VanDerWaalsContact OH-CA 3.22Å; Y336-H383 WeakPolarHBondContact OH-CA 3.38Å; Y336-H383 WeakPolarHBondContact OH-CB 3.37Å; Y336-H383 PolarHBondContact OH-N 3.08Å; Q341-H383 PolarHBondContact O-ND1 3.41Å; D365-H383 IonicContact OD2-CD2 3.86Å; H383-T386 WeakPolarHBondContact ND1-CG2 3.32Å; H383-T386 PolarHBondContact O-N 3.39Å; H383-T386 PolarHBondContact O-OG1 2.77Å; H383-T388 HydrophobicContact CB-CG2 4.27Å; H383-T388 PolarHBondContact N-OG1 3.43Å; H383-T388 PolarHBondContact O-OG1 3.21Å | ||
| 384 | G | 83.6 | Confident | 84.1 | Confident | 11 Ų | 11 | 52 Ų | 52 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 146 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D365 Y382 T386 | D365-G384 PolarHBondContact OD2-N 3.32Å; Y382-G384 PolarHBondContact O-N 3.21Å; G384-T386 WeakPolarHBondContact O-CG2 3.44Å; G384-T386 PolarHBondContact O-N 3.08Å; G384-T386 VanDerWaalsContact O-N 3.1Å |
| 385 | H | 78.6 | Confident | 85.5 | Confident | 128 Ų | 128 | 49.6 Ų | 49.6 | 59% | 0.593 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 23.1 | 178.3 | -54.4 | -46.1 | 0 | 0 | 0 | 115.5 | W367 R610 | W367-H385 AromaticContact CH2-CE1 3.99Å; W367-H385 AromaticContact CH2-NE2 3.84Å; H385-R610 PolarHBondContact CE1-NH2 2.86Å; H385-R610 VanDerWaalsContact CE1-NH2 3.31Å |
| 386 | T | 78.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -119.2 | -179.2 | 174 | 74 | 0 | 0 | 0 | 0 | 111.5 | Q341 L342 H383 G384 T388 | Q341-T386 WeakPolarHBondContact O-CG2 3.45Å; L342-T386 HydrophobicContact CD2-CG2 4.26Å; L342-T386 WeakPolarHBondContact O-CB 3.45Å; H383-T386 WeakPolarHBondContact ND1-CG2 3.32Å; H383-T386 PolarHBondContact O-N 3.39Å; H383-T386 PolarHBondContact O-OG1 2.77Å; G384-T386 WeakPolarHBondContact O-CG2 3.44Å; G384-T386 PolarHBondContact O-N 3.08Å; G384-T386 VanDerWaalsContact O-N 3.1Å; T386-T388 VanDerWaalsContact C-N 3.34Å; T386-T388 WeakPolarHBondContact OG1-CG2 3.21Å; T386-T388 PolarHBondContact OG1-N 3.5Å; T386-T388 PolarHBondContact OG1-OG1 2.73Å |
| 387 | M | 76 | Confident | 87.9 | Confident | 155 Ų | 155 | 39.9 Ų | 39.9 | 76% | 0.764 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -94.4 | 11 | 174.6 | -60.5 | -175.3 | 68.9 | 0 | 0 | 112.7 | L342 T343 | L342-M387 CarbonylContact O-C 3.53Å; L342-M387 WeakPolarHBondContact O-CA 3.46Å; L342-M387 WeakPolarHBondContact O-CB 3.49Å; L342-M387 PolarHBondContact O-N 2.92Å; T343-M387 HydrophobicContact CG2-CB 4.25Å |
| 388 | T | 78.4 | Confident | 88.3 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | trans | -62 | 145 | 175.8 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | L337 L342 S344 H383 T386 | L337-T388 HydrophobicContact CD2-CG2 3.59Å; L342-T388 PolarHBondContact O-N 2.71Å; S344-T388 WeakPolarHBondContact O-CA 3.43Å; S344-T388 WeakPolarHBondContact O-CB 3.4Å; H383-T388 HydrophobicContact CB-CG2 4.27Å; H383-T388 PolarHBondContact N-OG1 3.43Å; H383-T388 PolarHBondContact O-OG1 3.21Å; T386-T388 VanDerWaalsContact C-N 3.34Å; T386-T388 WeakPolarHBondContact OG1-CG2 3.21Å; T386-T388 PolarHBondContact OG1-N 3.5Å; T386-T388 PolarHBondContact OG1-OG1 2.73Å | ||
| 389 | T | 83.9 | Confident | 88.4 | Confident | 66 Ų | 66 | 41 Ų | 41 | 41% | 0.405 | 20% | 0.2 | S | C | . | . | trans | -71.3 | 162.6 | -179.4 | 60.7 | 0 | 0 | 0 | 0 | 111 | S346 Y382 | S346-T389 WeakPolarHBondContact CB-O 3.41Å; S346-T389 PolarHBondContact N-OG1 2.8Å; S346-T389 PolarHBondContact O-OG1 2.59Å; S346-T389 PolarHBondContact OG-O 3.32Å; Y382-T389 VanDerWaalsContact CB-O 3.27Å; Y382-T389 WeakPolarHBondContact CB-O 3.43Å | ||
| 390 | K | 87.5 | Confident | 88.5 | Confident | 119 Ų | 119 | 40.9 Ų | 40.9 | 52% | 0.517 | 20% | 0.199 | S | C | . | . | trans | -108 | 140.2 | -174.6 | -58.7 | -177.7 | 177.6 | -174.2 | 0 | 111.1 | V380 Y382 | V380-K390 HydrophobicContact CB-CB 4.25Å; V380-K390 HydrophobicContact CB-CD 4.45Å; V380-K390 HydrophobicContact CG2-CD 4.11Å; Y382-K390 HydrophobicContact CD1-CD 4.18Å; Y382-K390 HydrophobicContact CD1-CG 3.88Å; Y382-K390 HydrophobicContact CD2-CG 4.18Å; Y382-K390 HydrophobicContact CE1-CD 4.28Å; Y382-K390 HydrophobicContact CE1-CG 4.44Å; Y382-K390 HydrophobicContact CG-CD 4.44Å; Y382-K390 HydrophobicContact CG-CG 3.75Å | ||
| 391 | L | 89.1 | Confident | 88.6 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 12% | 0.12 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 145.1 | 171.3 | -61.7 | 174.9 | 0 | 0 | 0 | 109.8 | S346 L348 Y351 V380 V381 V396 | S346-L391 WeakPolarHBondContact O-CD2 3.45Å; L348-L391 HydrophobicContact CD2-CD1 4.08Å; L348-L391 HydrophobicContact CD2-CD2 4.5Å; L348-L391 HydrophobicContact CG-CD1 4.4Å; L348-L391 HydrophobicContact CG-CD2 4.24Å; Y351-L391 HydrophobicContact CE2-CD1 4.42Å; V380-L391 CarbonylContact C-O 3.52Å; V380-L391 WeakPolarHBondContact CA-O 3.42Å; V381-L391 HydrophobicContact CB-CB 4.49Å; V381-L391 PolarHBondContact N-O 2.73Å; V381-L391 PolarHBondContact O-N 2.95Å; L391-V396 HydrophobicContact CB-CG2 3.81Å; L391-V396 HydrophobicContact CD1-CG2 4Å |
| 392 | N | 91 | Very high | 88.4 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 136.7 | 169.3 | -178.5 | -79.2 | 0 | 0 | 0 | 109.8 | E378 R394 D395 V396 | E378-N392 PolarHBondContact OE1-ND2 3.26Å; N392-R394 PolarHBondContact O-N 3.32Å; N392-R394 WeakPolarHBondContact OD1-CB 3.3Å; N392-R394 PolarHBondContact OD1-N 2.95Å; N392-D395 HydrophobicContact CB-CB 4.22Å; N392-D395 WeakPolarHBondContact O-CB 3.18Å; N392-D395 PolarHBondContact O-N 3.12Å; N392-D395 PolarHBondContact OD1-N 3.07Å; N392-V396 WeakPolarHBondContact O-CG2 3.11Å; N392-V396 PolarHBondContact O-N 3.23Å; N392-V396 VanDerWaalsContact O-N 3.16Å |
| 393 | L | 94.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | -178.8 | 175.1 | 71.6 | 0 | 0 | 0 | 112.3 | L364 I379 V381 D395 V396 L397 L428 D431 | L364-L393 HydrophobicContact CD2-CD1 4.12Å; I379-L393 HydrophobicContact CB-CB 3.75Å; I379-L393 HydrophobicContact CB-CD2 3.75Å; I379-L393 HydrophobicContact CB-CG 4.35Å; I379-L393 HydrophobicContact CD1-CD2 3.51Å; I379-L393 HydrophobicContact CG1-CD2 4.24Å; I379-L393 HydrophobicContact CG2-CB 3.89Å; I379-L393 HydrophobicContact CG2-CD2 3.84Å; I379-L393 HydrophobicContact CG2-CG 4.3Å; I379-L393 WeakPolarHBondContact O-CB 3.43Å; I379-L393 PolarHBondContact O-N 2.91Å; V381-L393 HydrophobicContact CG2-CB 4.5Å; V381-L393 HydrophobicContact CG2-CD1 3.96Å; L393-D395 VanDerWaalsContact C-N 3.26Å; L393-D395 PolarHBondContact O-N 2.81Å; L393-V396 CarbonylContact O-C 3.46Å; L393-V396 WeakPolarHBondContact O-CA 3.14Å; L393-V396 WeakPolarHBondContact O-CB 3.4Å; L393-V396 PolarHBondContact O-N 2.9Å; L393-L397 HydrophobicContact CD1-CD1 4.36Å; L393-L397 HydrophobicContact CD1-CD2 4.09Å; L393-L397 HydrophobicContact CD1-CG 4.06Å; L393-L397 HydrophobicContact CD2-CD1 4.35Å; L393-L397 HydrophobicContact CG-CD1 4.06Å; L393-L397 HydrophobicContact CG-CG 4.08Å; L393-L397 WeakPolarHBondContact O-CG 3.48Å; L393-L397 PolarHBondContact O-N 2.78Å; L393-L428 HydrophobicContact CD1-CD1 4.03Å; L393-L428 HydrophobicContact CD2-CD1 3.43Å; L393-L428 VanDerWaalsContact CD2-CD1 3.43Å; L393-L428 HydrophobicContact CG-CD1 4.36Å; L393-D431 HydrophobicContact CD2-CB 4.26Å |
| 394 | R | 91.4 | Very high | 88.8 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 26% | 0.26 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -38.5 | -175.1 | -66.5 | -171.7 | 66.1 | 100.2 | 1 | 111 | N392 V396 L397 Y398 D431 D434 | N392-R394 PolarHBondContact O-N 3.32Å; N392-R394 WeakPolarHBondContact OD1-CB 3.3Å; N392-R394 PolarHBondContact OD1-N 2.95Å; R394-V396 VanDerWaalsContact C-N 3.35Å; R394-V396 PolarHBondContact O-N 3.15Å; R394-L397 PolarHBondContact O-N 2.96Å; R394-Y398 HydrophobicContact CB-CD2 4.46Å; R394-Y398 HydrophobicContact CB-CE2 4.36Å; R394-Y398 PolarHBondContact NH2-OH 2.65Å; R394-Y398 VanDerWaalsContact NH2-OH 3.1Å; R394-Y398 WeakPolarHBondContact O-CD2 3.34Å; R394-Y398 PolarHBondContact O-N 2.81Å; R394-D431 HydrophobicContact CG-CB 4.49Å; R394-D431 IonicContact CZ-OD1 3.84Å; R394-D431 IonicContact NH1-OD1 3.97Å; R394-D431 PolarHBondContact NH1-OD1 2.68Å; R394-D434 IonicContact CZ-OD2 3.61Å; R394-D434 IonicContact NH1-OD2 3.41Å; R394-D434 PolarHBondContact NH1-OD2 3.09Å; R394-D434 IonicContact NH2-OD2 2.77Å; R394-D434 PolarHBondContact NH2-OD2 3.43Å |
| 395 | D | 87.6 | Confident | 89.4 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 172.4 | -76.6 | -8.8 | 0 | 0 | 0 | 112.5 | V100 L348 N392 L393 T399 | V100-D395 HydrophobicContact CG2-CB 3.66Å; V100-D395 VanDerWaalsContact CG2-CG 3.45Å; L348-D395 HydrophobicContact CD1-CB 4.22Å; L348-D395 HydrophobicContact CD2-CB 4.27Å; N392-D395 HydrophobicContact CB-CB 4.22Å; N392-D395 WeakPolarHBondContact O-CB 3.18Å; N392-D395 PolarHBondContact O-N 3.12Å; N392-D395 PolarHBondContact OD1-N 3.07Å; L393-D395 VanDerWaalsContact C-N 3.26Å; L393-D395 PolarHBondContact O-N 2.81Å; D395-T399 WeakPolarHBondContact O-CB 3.45Å; D395-T399 PolarHBondContact O-N 3Å; D395-T399 PolarHBondContact O-OG1 3.42Å |
| 396 | V | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -48.4 | 173 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | L348 Y351 L364 V381 L391 N392 L393 R394 T399 I400 | L348-V396 HydrophobicContact CD2-CB 4.2Å; L348-V396 HydrophobicContact CD2-CG2 3.58Å; Y351-V396 HydrophobicContact CD2-CG1 3.92Å; Y351-V396 HydrophobicContact CD2-CG2 4.46Å; Y351-V396 HydrophobicContact CE1-CG1 4.21Å; Y351-V396 HydrophobicContact CE2-CB 4.32Å; Y351-V396 HydrophobicContact CE2-CG1 3.46Å; Y351-V396 VanDerWaalsContact CE2-CG1 3.46Å; Y351-V396 HydrophobicContact CE2-CG2 3.92Å; Y351-V396 HydrophobicContact CG-CG1 4.46Å; L364-V396 HydrophobicContact CD2-CG1 3.81Å; L364-V396 HydrophobicContact CG-CG1 4.36Å; V381-V396 HydrophobicContact CB-CG2 4.33Å; V381-V396 HydrophobicContact CG2-CG2 4.24Å; L391-V396 HydrophobicContact CB-CG2 3.81Å; L391-V396 HydrophobicContact CD1-CG2 4Å; N392-V396 WeakPolarHBondContact O-CG2 3.11Å; N392-V396 PolarHBondContact O-N 3.23Å; N392-V396 VanDerWaalsContact O-N 3.16Å; L393-V396 CarbonylContact O-C 3.46Å; L393-V396 WeakPolarHBondContact O-CA 3.14Å; L393-V396 WeakPolarHBondContact O-CB 3.4Å; L393-V396 PolarHBondContact O-N 2.9Å; R394-V396 VanDerWaalsContact C-N 3.35Å; R394-V396 PolarHBondContact O-N 3.15Å; V396-T399 WeakPolarHBondContact O-CB 3.27Å; V396-T399 PolarHBondContact O-N 3.48Å; V396-I400 HydrophobicContact CG1-CD1 3.72Å; V396-I400 HydrophobicContact CG1-CG1 4.41Å; V396-I400 VanDerWaalsContact O-CG1 3.31Å; V396-I400 WeakPolarHBondContact O-CG1 3.25Å; V396-I400 PolarHBondContact O-N 3.27Å |
| 397 | L | 96.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | -177.7 | -60.6 | -173.9 | 0 | 0 | 0 | 112.5 | L364 L393 R394 T399 I400 R401 D431 L432 V435 F436 | L364-L397 HydrophobicContact CD2-CD2 3.93Å; L393-L397 HydrophobicContact CD1-CD1 4.36Å; L393-L397 HydrophobicContact CD1-CD2 4.09Å; L393-L397 HydrophobicContact CD1-CG 4.06Å; L393-L397 HydrophobicContact CD2-CD1 4.35Å; L393-L397 HydrophobicContact CG-CD1 4.06Å; L393-L397 HydrophobicContact CG-CG 4.08Å; L393-L397 WeakPolarHBondContact O-CG 3.48Å; L393-L397 PolarHBondContact O-N 2.78Å; R394-L397 PolarHBondContact O-N 2.96Å; L397-T399 VanDerWaalsContact C-N 3.34Å; L397-I400 PolarHBondContact O-N 2.84Å; L397-R401 PolarHBondContact O-N 3.43Å; L397-D431 HydrophobicContact CD1-CB 3.96Å; L397-L432 HydrophobicContact CD1-CD2 4.04Å; L397-L432 HydrophobicContact CD1-CG 4.39Å; L397-L432 HydrophobicContact CD2-CD2 3.82Å; L397-V435 HydrophobicContact CB-CB 4.09Å; L397-V435 HydrophobicContact CB-CG1 3.76Å; L397-V435 HydrophobicContact CB-CG2 4.14Å; L397-V435 HydrophobicContact CD1-CB 4.46Å; L397-V435 HydrophobicContact CD1-CG2 4.34Å; L397-F436 HydrophobicContact CB-CE2 4.45Å; L397-F436 HydrophobicContact CB-CZ 4.46Å; L397-F436 HydrophobicContact CD2-CE2 3.87Å; L397-F436 HydrophobicContact CD2-CZ 4.21Å |
| 398 | Y | 92.3 | Very high | 91.3 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 28% | 0.282 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64 | -40.3 | 175.6 | -77.4 | -61.9 | 0 | 0 | 0 | 111.6 | M99 R394 I400 R401 E402 V435 | M99-Y398 HydrophobicContact CE-CD2 3.96Å; M99-Y398 HydrophobicContact CE-CE2 3.81Å; M99-Y398 HydrophobicContact SD-CD1 4.22Å; M99-Y398 HydrophobicContact SD-CD2 3.79Å; M99-Y398 HydrophobicContact SD-CE1 4.41Å; M99-Y398 HydrophobicContact SD-CE2 4Å; M99-Y398 HydrophobicContact SD-CG 3.92Å; R394-Y398 HydrophobicContact CB-CD2 4.46Å; R394-Y398 HydrophobicContact CB-CE2 4.36Å; R394-Y398 PolarHBondContact NH2-OH 2.65Å; R394-Y398 VanDerWaalsContact NH2-OH 3.1Å; R394-Y398 WeakPolarHBondContact O-CD2 3.34Å; R394-Y398 PolarHBondContact O-N 2.81Å; Y398-I400 VanDerWaalsContact C-N 3.34Å; Y398-I400 PolarHBondContact O-N 2.97Å; Y398-R401 PolarHBondContact O-N 2.99Å; Y398-E402 PolarHBondContact O-N 3.39Å; Y398-E402 VanDerWaalsContact O-N 3.07Å; Y398-V435 HydrophobicContact CD1-CG1 3.81Å; Y398-V435 HydrophobicContact CD1-CG2 4.45Å; Y398-V435 HydrophobicContact CE1-CG1 4.01Å; Y398-V435 HydrophobicContact CE1-CG2 4.04Å; Y398-V435 HydrophobicContact CE2-CG2 4.12Å; Y398-V435 HydrophobicContact CG-CG1 4.25Å |
| 399 | T | 88.5 | Confident | 92.2 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 173.7 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | L348 T352 D395 V396 L397 E402 Y403 | L348-T399 HydrophobicContact CB-CG2 4.26Å; T352-T399 WeakPolarHBondContact OG1-CG2 3.36Å; D395-T399 WeakPolarHBondContact O-CB 3.45Å; D395-T399 PolarHBondContact O-N 3Å; D395-T399 PolarHBondContact O-OG1 3.42Å; V396-T399 WeakPolarHBondContact O-CB 3.27Å; V396-T399 PolarHBondContact O-N 3.48Å; L397-T399 VanDerWaalsContact C-N 3.34Å; T399-E402 PolarHBondContact O-N 2.93Å; T399-Y403 HydrophobicContact CG2-CD2 4.1Å; T399-Y403 HydrophobicContact CG2-CE2 4.32Å; T399-Y403 VanDerWaalsContact O-CD2 3.27Å; T399-Y403 WeakPolarHBondContact O-CD2 3.32Å; T399-Y403 PolarHBondContact O-N 2.96Å |
| 400 | I | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 177.4 | -69 | 168.3 | 0 | 0 | 0 | 110.8 | Y351 L355 V362 L364 V396 L397 Y398 E402 Y403 A404 L412 L414 F436 | Y351-I400 HydrophobicContact CD1-CD1 3.87Å; Y351-I400 HydrophobicContact CD1-CG1 3.98Å; Y351-I400 HydrophobicContact CE1-CD1 4.04Å; Y351-I400 HydrophobicContact CG-CD1 4.44Å; Y351-I400 HydrophobicContact CG-CG1 4.22Å; L355-I400 HydrophobicContact CD1-CB 4.48Å; L355-I400 HydrophobicContact CD1-CG1 4.45Å; L355-I400 HydrophobicContact CD1-CG2 4.32Å; V362-I400 HydrophobicContact CG2-CD1 4.2Å; L364-I400 HydrophobicContact CD1-CD1 4.27Å; L364-I400 HydrophobicContact CD2-CD1 4.31Å; V396-I400 HydrophobicContact CG1-CD1 3.72Å; V396-I400 HydrophobicContact CG1-CG1 4.41Å; V396-I400 VanDerWaalsContact O-CG1 3.31Å; V396-I400 WeakPolarHBondContact O-CG1 3.25Å; V396-I400 PolarHBondContact O-N 3.27Å; L397-I400 PolarHBondContact O-N 2.84Å; Y398-I400 VanDerWaalsContact C-N 3.34Å; Y398-I400 PolarHBondContact O-N 2.97Å; I400-E402 VanDerWaalsContact C-N 3.28Å; I400-E402 PolarHBondContact O-N 3.16Å; I400-Y403 PolarHBondContact O-N 3.05Å; I400-A404 WeakPolarHBondContact O-CA 3.45Å; I400-A404 WeakPolarHBondContact O-CB 3.19Å; I400-A404 PolarHBondContact O-N 2.81Å; I400-L412 HydrophobicContact CG2-CD2 3.45Å; I400-L412 VanDerWaalsContact CG2-CD2 3.45Å; I400-L414 HydrophobicContact CD1-CD2 4.25Å; I400-L414 HydrophobicContact CG2-CD2 4.15Å; I400-F436 HydrophobicContact CB-CE1 4.4Å; I400-F436 HydrophobicContact CB-CZ 4.14Å; I400-F436 HydrophobicContact CG2-CE1 3.91Å; I400-F436 HydrophobicContact CG2-CZ 3.77Å |
| 401 | R | 96.1 | Very high | 93.3 | Very high | 66 Ų | 66 | 41.4 Ų | 41.4 | 25% | 0.249 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.3 | -44.4 | 178.7 | -178.1 | -172.2 | 178.4 | 81.8 | 1.1 | 111.7 | L397 Y398 V435 F436 M439 | L397-R401 PolarHBondContact O-N 3.43Å; Y398-R401 PolarHBondContact O-N 2.99Å; R401-V435 HydrophobicContact CB-CG1 4.29Å; R401-V435 VanDerWaalsContact CD-O 3.22Å; R401-V435 WeakPolarHBondContact CD-O 3.41Å; R401-V435 PolarHBondContact NH1-O 2.92Å; R401-F436 HydrophobicContact CB-CD1 4.19Å; R401-F436 HydrophobicContact CB-CE1 3.98Å; R401-F436 VanDerWaalsContact NH1-C 3.26Å; R401-F436 PolarHBondContact NH1-O 3.11Å; R401-M439 HydrophobicContact CG-CE 4.16Å; R401-M439 HydrophobicContact CG-SD 3.99Å |
| 402 | E | 91.1 | Very high | 93.8 | Very high | 135 Ų | 135 | 40.3 Ų | 40.3 | 63% | 0.631 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63.1 | -44 | -178.9 | -175.7 | 62.8 | -164.9 | 0 | 0 | 112.1 | Y398 T399 I400 V406 | Y398-E402 PolarHBondContact O-N 3.39Å; Y398-E402 VanDerWaalsContact O-N 3.07Å; T399-E402 PolarHBondContact O-N 2.93Å; I400-E402 VanDerWaalsContact C-N 3.28Å; I400-E402 PolarHBondContact O-N 3.16Å; E402-V406 WeakPolarHBondContact O-CG2 3.44Å |
| 403 | Y | 93.2 | Very high | 94.2 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -99.2 | -8.9 | -172.8 | -65.3 | -74 | 0 | 0 | 0 | 114.7 | T352 L356 T399 I400 F405 V406 | T352-Y403 HydrophobicContact CG2-CD1 3.9Å; T352-Y403 HydrophobicContact CG2-CD2 3.8Å; T352-Y403 HydrophobicContact CG2-CE1 3.72Å; T352-Y403 HydrophobicContact CG2-CE2 3.63Å; T352-Y403 HydrophobicContact CG2-CG 3.94Å; T352-Y403 VanDerWaalsContact OG1-CD2 3.29Å; T352-Y403 WeakPolarHBondContact OG1-CD2 3.42Å; T352-Y403 WeakPolarHBondContact OG1-CE2 3.11Å; L356-Y403 HydrophobicContact CD2-CD1 4.18Å; L356-Y403 HydrophobicContact CG-CD1 4.33Å; T399-Y403 HydrophobicContact CG2-CD2 4.1Å; T399-Y403 HydrophobicContact CG2-CE2 4.32Å; T399-Y403 VanDerWaalsContact O-CD2 3.27Å; T399-Y403 WeakPolarHBondContact O-CD2 3.32Å; T399-Y403 PolarHBondContact O-N 2.96Å; I400-Y403 PolarHBondContact O-N 3.05Å; Y403-F405 PolarHBondContact O-N 3.43Å; Y403-F405 VanDerWaalsContact O-N 3.1Å; Y403-V406 HydrophobicContact CD1-CG2 4.24Å; Y403-V406 PolarHBondContact O-N 3.46Å |
| 404 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -43.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R360 I400 L412 | R360-A404 VanDerWaalsContact CZ-O 3.27Å; R360-A404 PolarHBondContact NH1-O 2.79Å; R360-A404 PolarHBondContact NH2-O 3.16Å; I400-A404 WeakPolarHBondContact O-CA 3.45Å; I400-A404 WeakPolarHBondContact O-CB 3.19Å; I400-A404 PolarHBondContact O-N 2.81Å; A404-L412 HydrophobicContact CB-CD2 3.79Å |
| 405 | F | 96.7 | Very high | 94.7 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 18.4 | -172.2 | -51.8 | -67.1 | 0 | 0 | 0 | 114.6 | Y403 S408 L412 M439 R460 V462 | Y403-F405 PolarHBondContact O-N 3.43Å; Y403-F405 VanDerWaalsContact O-N 3.1Å; F405-S408 CarbonylContact C-O 3.55Å; F405-S408 WeakPolarHBondContact CA-O 3.45Å; F405-L412 HydrophobicContact CE1-CB 4.48Å; F405-M439 HydrophobicContact CD2-SD 4.41Å; F405-M439 HydrophobicContact CE2-CB 4.5Å; F405-M439 HydrophobicContact CE2-CG 4.43Å; F405-M439 HydrophobicContact CE2-SD 3.97Å; F405-R460 HydrophobicContact CD2-CB 4.39Å; F405-R460 VanDerWaalsContact CE1-CA 3.48Å; F405-R460 HydrophobicContact CE2-CB 4.35Å; F405-R460 HydrophobicContact CG-CB 4.5Å; F405-R460 HydrophobicContact CG-CG 4.44Å; F405-R460 HydrophobicContact CZ-CB 4.44Å; F405-R460 WeakPolarHBondContact CZ-O 3.18Å; F405-V462 HydrophobicContact CE2-CG2 4.29Å; F405-V462 HydrophobicContact CZ-CG2 3.96Å |
| 406 | V | 90.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 33.7 Ų | 33.7 | 53% | 0.533 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -68.6 | -41.5 | -177.5 | 171 | 0 | 0 | 0 | 0 | 112.1 | L356 E402 Y403 | L356-V406 HydrophobicContact CD2-CB 4.28Å; L356-V406 HydrophobicContact CD2-CG1 3.81Å; E402-V406 WeakPolarHBondContact O-CG2 3.44Å; Y403-V406 HydrophobicContact CD1-CG2 4.24Å; Y403-V406 PolarHBondContact O-N 3.46Å |
| 407 | T | 89.7 | Confident | 95.4 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 37% | 0.368 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -105.6 | -12.1 | -177.9 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | L355 L356 N358 | L355-T407 PolarHBondContact O-OG1 3.01Å; L355-T407 VanDerWaalsContact O-OG1 3.08Å; L356-T407 HydrophobicContact CD2-CG2 3.92Å; N358-T407 WeakPolarHBondContact OD1-CB 3.47Å; N358-T407 PolarHBondContact OD1-O 3.1Å; N358-T407 PolarHBondContact OD1-OG1 2.89Å |
| 408 | S | 92.4 | Very high | 95.3 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | trans | -154.8 | 132.4 | -178.2 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | R360 F405 Y410 | R360-S408 PolarHBondContact NH1-O 3.27Å; F405-S408 CarbonylContact C-O 3.55Å; F405-S408 WeakPolarHBondContact CA-O 3.45Å; S408-Y410 VanDerWaalsContact C-N 3.28Å; S408-Y410 PolarHBondContact OG-N 2.91Å | ||
| 409 | E | 96.2 | Very high | 95.5 | Very high | 109 Ų | 109 | 38.6 Ų | 38.6 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | trans | -81.3 | -8.8 | 174.8 | -61.7 | -173.1 | 97.6 | 0 | 0 | 113 | K459 R460 | E409-K459 HydrophobicContact CB-CG 4.38Å; E409-K459 CarbonylContact O-C 3.53Å; E409-K459 WeakPolarHBondContact O-CA 3.45Å; E409-R460 HydrophobicContact CB-CG 4.49Å; E409-R460 PolarHBondContact O-N 3.39Å | ||
| 410 | Y | 97.7 | Very high | 95.8 | Very high | 35 Ų | 35 | 38 Ų | 38 | 14% | 0.137 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -72.4 | 156.3 | -178.3 | -68.3 | -59.7 | 0 | 0 | 0 | 112.3 | V316 M320 R360 S408 P455 E456 K459 | V316-Y410 HydrophobicContact CB-CE2 4.29Å; V316-Y410 HydrophobicContact CG1-CE2 3.98Å; V316-Y410 HydrophobicContact CG2-CE2 3.93Å; M320-Y410 HydrophobicContact CB-CE1 4Å; M320-Y410 HydrophobicContact CE-CD1 4.15Å; M320-Y410 HydrophobicContact CE-CD2 4.11Å; M320-Y410 HydrophobicContact CE-CE1 3.92Å; M320-Y410 HydrophobicContact CE-CE2 3.91Å; M320-Y410 HydrophobicContact CE-CG 4.25Å; M320-Y410 HydrophobicContact CG-CE1 4.22Å; M320-Y410 HydrophobicContact CG-CE2 4.42Å; M320-Y410 WeakPolarHBondContact CG-OH 3.37Å; R360-Y410 PolarHBondContact NH1-O 2.98Å; S408-Y410 VanDerWaalsContact C-N 3.28Å; S408-Y410 PolarHBondContact OG-N 2.91Å; Y410-P455 HydrophobicContact CD1-CB 3.45Å; Y410-P455 VanDerWaalsContact CD1-CB 3.45Å; Y410-P455 WeakPolarHBondContact CD1-O 3.43Å; Y410-P455 HydrophobicContact CE1-CB 3.84Å; Y410-P455 HydrophobicContact CG-CB 4.25Å; Y410-E456 HydrophobicContact CE1-CG 4.39Å; Y410-E456 VanDerWaalsContact CE1-OE1 3.28Å; Y410-E456 WeakPolarHBondContact CE1-OE1 3.18Å; Y410-E456 PolarHBondContact OH-OE1 2.84Å; Y410-K459 HydrophobicContact CD1-CG 4.35Å; Y410-K459 HydrophobicContact CE1-CG 4.43Å |
| 411 | P | 98.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | trans | -58 | 150.3 | -169.1 | 22.1 | -36.3 | 0 | 0 | 0 | 114.3 | L458 K461 L463 | P411-L458 HydrophobicContact CB-CB 3.84Å; P411-L458 HydrophobicContact CB-CD1 4.45Å; P411-L458 HydrophobicContact CG-CB 3.61Å; P411-L458 HydrophobicContact CG-CD1 4.07Å; P411-K461 CarbonylContact C-O 3.4Å; P411-K461 WeakPolarHBondContact CA-O 3.46Å; P411-K461 WeakPolarHBondContact CB-O 3.45Å; P411-L463 HydrophobicContact CB-CD1 4.49Å | ||
| 412 | L | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.7 | 173.8 | 178.7 | 65 | 0 | 0 | 0 | 110.3 | L355 V362 I400 A404 F405 L414 K461 V462 L463 | L355-L412 HydrophobicContact CD2-CD1 3.58Å; L355-L412 HydrophobicContact CD2-CD2 3.85Å; L355-L412 HydrophobicContact CD2-CG 4.38Å; V362-L412 HydrophobicContact CG1-CD1 4.45Å; V362-L412 HydrophobicContact CG2-CD1 4.32Å; I400-L412 HydrophobicContact CG2-CD2 3.45Å; I400-L412 VanDerWaalsContact CG2-CD2 3.45Å; A404-L412 HydrophobicContact CB-CD2 3.79Å; F405-L412 HydrophobicContact CE1-CB 4.48Å; L412-L414 HydrophobicContact CD2-CD2 3.99Å; L412-L414 HydrophobicContact CG-CD2 4.1Å; L412-K461 PolarHBondContact N-O 3.24Å; L412-V462 CarbonylContact O-C 3.43Å; L412-V462 VanDerWaalsContact O-CA 3.3Å; L412-V462 WeakPolarHBondContact O-CA 3.43Å; L412-L463 PolarHBondContact O-N 2.62Å |
| 413 | I | 98.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.9 | 175.7 | -57 | 168.5 | 0 | 0 | 0 | 110 | I329 R360 C361 V362 L463 K465 M1056 | I329-I413 HydrophobicContact CD1-CD1 4.06Å; I329-I413 HydrophobicContact CG2-CD1 4.49Å; R360-I413 PolarHBondContact O-N 3.26Å; C361-I413 VanDerWaalsContact CA-O 3.25Å; C361-I413 WeakPolarHBondContact CA-O 3.12Å; C361-I413 HydrophobicContact CB-CB 4.04Å; V362-I413 PolarHBondContact N-O 3.25Å; I413-L463 CarbonylContact C-O 3.28Å; I413-L463 WeakPolarHBondContact CA-O 3.48Å; I413-L463 HydrophobicContact CG1-CB 4.18Å; I413-L463 HydrophobicContact CG1-CD1 4.17Å; I413-K465 HydrophobicContact CG2-CB 3.85Å; I413-M1056 HydrophobicContact CD1-CE 3.98Å; I413-M1056 HydrophobicContact CD1-SD 4.27Å; I413-M1056 HydrophobicContact CG2-CE 4.21Å |
| 414 | L | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 107.9 | 169.8 | -53.1 | -171.9 | 0 | 0 | 0 | 109.3 | V362 L364 I400 L412 I416 L432 F436 V462 L463 I464 K465 | V362-L414 HydrophobicContact CG2-CD2 3.51Å; L364-L414 HydrophobicContact CD1-CB 4.16Å; L364-L414 HydrophobicContact CD1-CD2 4.27Å; I400-L414 HydrophobicContact CD1-CD2 4.25Å; I400-L414 HydrophobicContact CG2-CD2 4.15Å; L412-L414 HydrophobicContact CD2-CD2 3.99Å; L412-L414 HydrophobicContact CG-CD2 4.1Å; L414-I416 PolarHBondContact O-N 3.01Å; L414-L432 HydrophobicContact CD1-CD2 4.01Å; L414-F436 HydrophobicContact CD1-CD2 4.41Å; L414-F436 HydrophobicContact CD1-CE2 3.47Å; L414-F436 VanDerWaalsContact CD1-CE2 3.47Å; L414-F436 HydrophobicContact CD1-CZ 3.78Å; L414-V462 HydrophobicContact CD1-CG1 3.7Å; L414-V462 HydrophobicContact CD2-CG1 4.41Å; L414-V462 HydrophobicContact CG-CG1 3.71Å; L414-L463 PolarHBondContact N-O 3.16Å; L414-I464 HydrophobicContact CB-CD1 4Å; L414-I464 HydrophobicContact CD1-CD1 3.91Å; L414-I464 HydrophobicContact CG-CD1 4.23Å; L414-K465 PolarHBondContact O-N 3.48Å |
| 415 | S | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 99.8 | 172.3 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | V362 E363 L364 K465 | V362-S415 PolarHBondContact O-N 2.96Å; E363-S415 WeakPolarHBondContact CA-O 3.28Å; L364-S415 PolarHBondContact N-O 3.02Å; S415-K465 VanDerWaalsContact OG-CD 3.32Å; S415-K465 WeakPolarHBondContact OG-CD 3.3Å; S415-K465 PolarHBondContact OG-NZ 2.98Å |
| 416 | I | 98.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.9 | 178.6 | -56.2 | 179 | 0 | 0 | 0 | 109 | L414 D418 L428 L432 I464 K465 L981 | L414-I416 PolarHBondContact O-N 3.01Å; I416-D418 HydrophobicContact CG2-CB 4.14Å; I416-L428 HydrophobicContact CD1-CD2 4.41Å; I416-L428 HydrophobicContact CG2-CD2 4.1Å; I416-L432 HydrophobicContact CD1-CD1 3.83Å; I416-I464 HydrophobicContact CD1-CG2 3.69Å; I416-I464 HydrophobicContact CG1-CG2 4.39Å; I416-K465 PolarHBondContact N-O 3.27Å; I416-L981 HydrophobicContact CD1-CD1 4.35Å |
| 417 | E | 96.5 | Very high | 95.6 | Very high | 88 Ų | 88 | 34.7 Ų | 34.7 | 41% | 0.411 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 104.9 | 160.2 | -179.6 | 161 | -175.4 | 0 | 0 | 107.6 | L364 D365 C366 | L364-E417 PolarHBondContact O-N 2.79Å; D365-E417 CarbonylContact C-O 3.58Å; D365-E417 WeakPolarHBondContact CA-O 2.95Å; D365-E417 HydrophobicContact CB-CB 4.39Å; C366-E417 PolarHBondContact N-O 3Å |
| 418 | D | 95.2 | Very high | 96 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.7 | -170.2 | 178.9 | 18.8 | 0 | 0 | 0 | 111.2 | I416 C420 Q425 H466 | I416-D418 HydrophobicContact CG2-CB 4.14Å; D418-C420 VanDerWaalsContact OD1-CB 3.25Å; D418-C420 WeakPolarHBondContact OD1-CB 3.28Å; D418-C420 PolarHBondContact OD1-N 3.23Å; D418-Q425 VanDerWaalsContact OD2-CG 3.31Å; D418-Q425 WeakPolarHBondContact OD2-CG 3.14Å; D418-Q425 PolarHBondContact OD2-NE2 2.88Å; D418-Q425 PolarHBondContact OD2-OE1 2.84Å; D418-H466 WeakPolarHBondContact CB-NE2 3.4Å; D418-H466 IonicContact OD2-CE1 2.71Å; D418-H466 IonicContact OD2-NE2 3.88Å; D418-H466 PolarHBondContact OD2-NE2 2.88Å |
| 419 | N | 95.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 30.9 Ų | 30.9 | 29% | 0.289 | 16% | 0.155 | S | C | . | . | trans | -111.3 | 12.9 | 171.3 | -66.7 | -73.4 | 0 | 0 | 0 | 111.8 | D365 C366 W367 | D365-N419 PolarHBondContact OD1-ND2 2.93Å; C366-N419 CarbonylContact O-C 3.36Å; C366-N419 WeakPolarHBondContact O-CA 3.39Å; C366-N419 WeakPolarHBondContact O-CB 3.41Å; C366-N419 PolarHBondContact O-N 3.01Å; W367-N419 HydrophobicContact CD2-CB 3.44Å; W367-N419 VanDerWaalsContact CD2-CB 3.44Å; W367-N419 VanDerWaalsContact CE2-CG 3.47Å; W367-N419 HydrophobicContact CE3-CB 3.63Å; W367-N419 HydrophobicContact CG-CB 4Å; W367-N419 HydrophobicContact CH2-CB 3.76Å; W367-N419 HydrophobicContact CZ2-CB 3.55Å; W367-N419 VanDerWaalsContact CZ2-ND2 3.28Å; W367-N419 WeakPolarHBondContact CZ2-ND2 3.27Å; W367-N419 HydrophobicContact CZ3-CB 3.8Å; W367-N419 PolarHBondContact NE1-ND2 2.78Å | ||
| 420 | C | 94.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | trans | -80.7 | 154.1 | -177.7 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | D368 D418 Q425 | D368-C420 WeakPolarHBondContact OD1-CA 3.11Å; D368-C420 WeakPolarHBondContact OD1-CB 3.48Å; D418-C420 VanDerWaalsContact OD1-CB 3.25Å; D418-C420 WeakPolarHBondContact OD1-CB 3.28Å; D418-C420 PolarHBondContact OD1-N 3.23Å; C420-Q425 HydrophobicContact CB-CG 3.88Å; C420-Q425 PolarHBondContact O-NE2 2.77Å | ||
| 421 | T | 92.5 | Very high | 96.2 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 36% | 0.362 | 15% | 0.146 | S | C | . | . | trans | -76.6 | 162.4 | 166.6 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | D368 Y424 Q425 | D368-T421 PolarHBondContact OD1-N 2.78Å; D368-T421 WeakPolarHBondContact OD2-CB 3.4Å; D368-T421 WeakPolarHBondContact OD2-CG2 3.47Å; D368-T421 PolarHBondContact OD2-N 2.87Å; D368-T421 PolarHBondContact OD2-OG1 2.83Å; T421-Y424 CarbonylContact O-C 3.6Å; T421-Y424 WeakPolarHBondContact O-CA 3.35Å; T421-Y424 PolarHBondContact O-N 3.04Å; T421-Y424 VanDerWaalsContact OG1-CD2 3.28Å; T421-Y424 WeakPolarHBondContact OG1-CD2 3.49Å; T421-Q425 WeakPolarHBondContact O-CG 3.34Å; T421-Q425 PolarHBondContact O-N 3.49Å | ||
| 422 | L | 92.8 | Very high | 96.2 | Very high | 36 Ų | 36 | 26.9 Ų | 26.9 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.3 | -42.4 | -174.5 | -67.7 | 176.8 | 0 | 0 | 0 | 114.3 | Y424 Q425 R426 E972 I977 A978 | L422-Y424 VanDerWaalsContact C-N 3.34Å; L422-Y424 PolarHBondContact O-N 3.32Å; L422-Q425 PolarHBondContact O-N 3.31Å; L422-R426 WeakPolarHBondContact O-CG 3.31Å; L422-R426 PolarHBondContact O-N 2.97Å; L422-R426 VanDerWaalsContact O-N 3.13Å; L422-E972 HydrophobicContact CD1-CB 4.18Å; L422-E972 HydrophobicContact CD2-CB 4.42Å; L422-I977 VanDerWaalsContact CD2-C 3.5Å; L422-A978 HydrophobicContact CD2-CB 4.2Å |
| 423 | P | 91.8 | Very high | 96.2 | Very high | 69 Ų | 69 | 31.6 Ų | 31.6 | 45% | 0.448 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.3 | -40 | 174.7 | -24 | 35.9 | 0 | 0 | 0 | 113 | L377 R426 Q427 | L377-P423 HydrophobicContact CD1-CB 4.01Å; P423-R426 WeakPolarHBondContact O-CB 3.16Å; P423-R426 PolarHBondContact O-N 2.73Å; P423-Q427 PolarHBondContact O-N 3.41Å; P423-Q427 VanDerWaalsContact O-N 3.11Å |
| 424 | Y | 94.5 | Very high | 96 | Very high | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.7 | -31.3 | 176.5 | -77.2 | -96.7 | 0 | 0 | 0 | 112.4 | D368 K371 L377 E378 I379 T421 L422 R426 Q427 L428 | D368-Y424 HydrophobicContact CB-CD1 4.39Å; D368-Y424 HydrophobicContact CB-CD2 4.21Å; D368-Y424 HydrophobicContact CB-CE1 4.31Å; D368-Y424 HydrophobicContact CB-CE2 4.06Å; D368-Y424 HydrophobicContact CB-CG 4.32Å; D368-Y424 VanDerWaalsContact CG-CD2 3.42Å; D368-Y424 VanDerWaalsContact OD1-CB 3.27Å; D368-Y424 WeakPolarHBondContact OD1-CB 3.46Å; D368-Y424 WeakPolarHBondContact OD1-CD2 3.32Å; D368-Y424 VanDerWaalsContact OD1-CG 3.28Å; D368-Y424 WeakPolarHBondContact OD2-CD2 3.25Å; K371-Y424 WeakPolarHBondContact CG-OH 3.31Å; L377-Y424 HydrophobicContact CB-CD1 3.86Å; L377-Y424 HydrophobicContact CB-CE1 3.67Å; L377-Y424 HydrophobicContact CB-CG 4.45Å; L377-Y424 HydrophobicContact CD1-CD2 4.41Å; L377-Y424 HydrophobicContact CD1-CG 4.43Å; L377-Y424 HydrophobicContact CD2-CD2 4.24Å; L377-Y424 HydrophobicContact CD2-CE1 4.08Å; L377-Y424 HydrophobicContact CD2-CE2 3.73Å; L377-Y424 HydrophobicContact CG-CE1 4.38Å; E378-Y424 VanDerWaalsContact O-CE1 3.28Å; E378-Y424 WeakPolarHBondContact O-CE1 3.46Å; I379-Y424 WeakPolarHBondContact CD1-O 3.25Å; I379-Y424 HydrophobicContact CG1-CD1 3.74Å; T421-Y424 CarbonylContact O-C 3.6Å; T421-Y424 WeakPolarHBondContact O-CA 3.35Å; T421-Y424 PolarHBondContact O-N 3.04Å; T421-Y424 VanDerWaalsContact OG1-CD2 3.28Å; T421-Y424 WeakPolarHBondContact OG1-CD2 3.49Å; L422-Y424 VanDerWaalsContact C-N 3.34Å; L422-Y424 PolarHBondContact O-N 3.32Å; Y424-R426 VanDerWaalsContact C-N 3.28Å; Y424-R426 PolarHBondContact O-N 3.49Å; Y424-Q427 CarbonylContact O-C 3.59Å; Y424-Q427 PolarHBondContact O-N 2.88Å; Y424-L428 WeakPolarHBondContact O-CB 3.17Å; Y424-L428 PolarHBondContact O-N 3.25Å |
| 425 | Q | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.2 | -33.3 | 171.8 | -68.9 | 179.6 | 23.6 | 0 | 0 | 112.2 | D418 C420 T421 L422 L428 A429 R976 I977 A978 L981 | D418-Q425 VanDerWaalsContact OD2-CG 3.31Å; D418-Q425 WeakPolarHBondContact OD2-CG 3.14Å; D418-Q425 PolarHBondContact OD2-NE2 2.88Å; D418-Q425 PolarHBondContact OD2-OE1 2.84Å; C420-Q425 HydrophobicContact CB-CG 3.88Å; C420-Q425 PolarHBondContact O-NE2 2.77Å; T421-Q425 WeakPolarHBondContact O-CG 3.34Å; T421-Q425 PolarHBondContact O-N 3.49Å; L422-Q425 PolarHBondContact O-N 3.31Å; Q425-L428 WeakPolarHBondContact O-CB 3.47Å; Q425-L428 PolarHBondContact O-N 3.32Å; Q425-A429 PolarHBondContact O-N 3.38Å; Q425-R976 PolarHBondContact NE2-O 3.09Å; Q425-R976 PolarHBondContact OE1-O 3.19Å; Q425-I977 VanDerWaalsContact OE1-CA 3.28Å; Q425-A978 HydrophobicContact CB-CB 3.63Å; Q425-L981 HydrophobicContact CB-CD2 4.17Å; Q425-L981 HydrophobicContact CG-CD2 4.22Å |
| 426 | R | 95 | Very high | 95.8 | Very high | 78 Ų | 78 | 35.1 Ų | 35.1 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.3 | -44.8 | 171 | -65.1 | -176.3 | 168.7 | 85.4 | 3.2 | 111.4 | L422 P423 Y424 L428 A429 S430 E972 A978 E980 | L422-R426 WeakPolarHBondContact O-CG 3.31Å; L422-R426 PolarHBondContact O-N 2.97Å; L422-R426 VanDerWaalsContact O-N 3.13Å; P423-R426 WeakPolarHBondContact O-CB 3.16Å; P423-R426 PolarHBondContact O-N 2.73Å; Y424-R426 VanDerWaalsContact C-N 3.28Å; Y424-R426 PolarHBondContact O-N 3.49Å; R426-L428 VanDerWaalsContact C-N 3.34Å; R426-L428 PolarHBondContact O-N 3.1Å; R426-A429 PolarHBondContact O-N 3.19Å; R426-S430 PolarHBondContact O-N 2.84Å; R426-E972 IonicContact CZ-OE2 3.2Å; R426-E972 IonicContact NH2-OE1 3.96Å; R426-E972 PolarHBondContact NH2-OE1 3.31Å; R426-E972 VanDerWaalsContact NH2-OE1 3.07Å; R426-E972 IonicContact NH2-OE2 4Å; R426-E972 PolarHBondContact NH2-OE2 3.27Å; R426-A978 HydrophobicContact CG-CB 3.99Å; R426-E980 VanDerWaalsContact CD-OE1 3.26Å; R426-E980 WeakPolarHBondContact CD-OE1 3.47Å; R426-E980 HydrophobicContact CG-CG 4.39Å; R426-E980 WeakPolarHBondContact CG-OE2 3.27Å; R426-E980 IonicContact CZ-OE1 3.47Å; R426-E980 IonicContact CZ-OE2 2.68Å; R426-E980 IonicContact NE-OE1 3.65Å; R426-E980 PolarHBondContact NE-OE1 3.34Å; R426-E980 IonicContact NE-OE2 3.13Å; R426-E980 PolarHBondContact NE-OE2 3.23Å; R426-E980 IonicContact NH2-OE2 2.87Å |
| 427 | Q | 94.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.3 | -171.6 | 62.3 | 48.5 | 0 | 0 | 111.5 | L377 I379 P423 Y424 A429 S430 D431 | L377-Q427 HydrophobicContact CB-CB 4.29Å; L377-Q427 HydrophobicContact CB-CG 4.18Å; L377-Q427 HydrophobicContact CD1-CB 4.28Å; I379-Q427 HydrophobicContact CD1-CB 4.12Å; I379-Q427 HydrophobicContact CD1-CG 4.19Å; P423-Q427 PolarHBondContact O-N 3.41Å; P423-Q427 VanDerWaalsContact O-N 3.11Å; Y424-Q427 CarbonylContact O-C 3.59Å; Y424-Q427 PolarHBondContact O-N 2.88Å; Q427-A429 VanDerWaalsContact C-N 3.33Å; Q427-A429 PolarHBondContact O-N 2.81Å; Q427-S430 CarbonylContact O-C 3.43Å; Q427-S430 WeakPolarHBondContact O-CB 3.39Å; Q427-S430 PolarHBondContact O-N 2.96Å; Q427-S430 VanDerWaalsContact O-N 3.15Å; Q427-D431 PolarHBondContact NE2-OD1 2.68Å; Q427-D431 WeakPolarHBondContact O-CB 3.42Å; Q427-D431 PolarHBondContact O-N 2.71Å |
| 428 | L | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.5 | -47.8 | 175 | 175.7 | 54.9 | 0 | 0 | 0 | 110.9 | C366 I379 L393 I416 Y424 Q425 R426 S430 D431 L432 L981 | C366-L428 HydrophobicContact CB-CD2 4.37Å; I379-L428 HydrophobicContact CD1-CB 3.72Å; L393-L428 HydrophobicContact CD1-CD1 4.03Å; L393-L428 HydrophobicContact CD2-CD1 3.43Å; L393-L428 VanDerWaalsContact CD2-CD1 3.43Å; L393-L428 HydrophobicContact CG-CD1 4.36Å; I416-L428 HydrophobicContact CD1-CD2 4.41Å; I416-L428 HydrophobicContact CG2-CD2 4.1Å; Y424-L428 WeakPolarHBondContact O-CB 3.17Å; Y424-L428 PolarHBondContact O-N 3.25Å; Q425-L428 WeakPolarHBondContact O-CB 3.47Å; Q425-L428 PolarHBondContact O-N 3.32Å; R426-L428 VanDerWaalsContact C-N 3.34Å; R426-L428 PolarHBondContact O-N 3.1Å; L428-S430 VanDerWaalsContact C-N 3.34Å; L428-S430 PolarHBondContact O-N 3.36Å; L428-D431 PolarHBondContact O-N 3.26Å; L428-L432 HydrophobicContact CD1-CD1 4.03Å; L428-L432 HydrophobicContact CD1-CG 4.14Å; L428-L432 HydrophobicContact CG-CD1 4.11Å; L428-L432 WeakPolarHBondContact O-CB 3.43Å; L428-L432 WeakPolarHBondContact O-CG 3.48Å; L428-L432 PolarHBondContact O-N 2.81Å; L428-L981 HydrophobicContact CD2-CD1 4.28Å; L428-L981 HydrophobicContact CD2-CD2 4.05Å; L428-L981 HydrophobicContact CG-CD1 4.28Å |
| 429 | A | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q425 R426 Q427 K433 E980 L981 L984 | Q425-A429 PolarHBondContact O-N 3.38Å; R426-A429 PolarHBondContact O-N 3.19Å; Q427-A429 VanDerWaalsContact C-N 3.33Å; Q427-A429 PolarHBondContact O-N 2.81Å; A429-K433 WeakPolarHBondContact O-CG 3.19Å; A429-K433 PolarHBondContact O-N 3.28Å; A429-K433 VanDerWaalsContact O-N 3.09Å; A429-E980 HydrophobicContact CB-CB 3.8Å; A429-L981 HydrophobicContact CB-CB 4.21Å; A429-L984 HydrophobicContact CB-CD1 3.9Å |
| 430 | S | 96.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 44% | 0.441 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -48.2 | 175.2 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | R426 Q427 L428 L432 K433 D434 | R426-S430 PolarHBondContact O-N 2.84Å; Q427-S430 CarbonylContact O-C 3.43Å; Q427-S430 WeakPolarHBondContact O-CB 3.39Å; Q427-S430 PolarHBondContact O-N 2.96Å; Q427-S430 VanDerWaalsContact O-N 3.15Å; L428-S430 VanDerWaalsContact C-N 3.34Å; L428-S430 PolarHBondContact O-N 3.36Å; S430-L432 PolarHBondContact O-N 2.75Å; S430-K433 PolarHBondContact O-N 2.82Å; S430-D434 VanDerWaalsContact O-CB 3.25Å; S430-D434 WeakPolarHBondContact O-CB 3.49Å; S430-D434 PolarHBondContact O-N 3.25Å |
| 431 | D | 96.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 179 | -73.6 | -9.4 | 0 | 0 | 0 | 111.5 | L393 R394 L397 Q427 L428 V435 | L393-D431 HydrophobicContact CD2-CB 4.26Å; R394-D431 HydrophobicContact CG-CB 4.49Å; R394-D431 IonicContact CZ-OD1 3.84Å; R394-D431 IonicContact NH1-OD1 3.97Å; R394-D431 PolarHBondContact NH1-OD1 2.68Å; L397-D431 HydrophobicContact CD1-CB 3.96Å; Q427-D431 PolarHBondContact NE2-OD1 2.68Å; Q427-D431 WeakPolarHBondContact O-CB 3.42Å; Q427-D431 PolarHBondContact O-N 2.71Å; L428-D431 PolarHBondContact O-N 3.26Å; D431-V435 VanDerWaalsContact O-CB 3.28Å; D431-V435 WeakPolarHBondContact O-CB 3.46Å; D431-V435 VanDerWaalsContact O-CG2 3.26Å; D431-V435 WeakPolarHBondContact O-CG2 3.44Å; D431-V435 PolarHBondContact O-N 3.07Å |
| 432 | L | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 174.2 | -73.9 | 168.1 | 0 | 0 | 0 | 111.4 | L397 L414 I416 L428 S430 F436 L440 I464 L981 L984 | L397-L432 HydrophobicContact CD1-CD2 4.04Å; L397-L432 HydrophobicContact CD1-CG 4.39Å; L397-L432 HydrophobicContact CD2-CD2 3.82Å; L414-L432 HydrophobicContact CD1-CD2 4.01Å; I416-L432 HydrophobicContact CD1-CD1 3.83Å; L428-L432 HydrophobicContact CD1-CD1 4.03Å; L428-L432 HydrophobicContact CD1-CG 4.14Å; L428-L432 HydrophobicContact CG-CD1 4.11Å; L428-L432 WeakPolarHBondContact O-CB 3.43Å; L428-L432 WeakPolarHBondContact O-CG 3.48Å; L428-L432 PolarHBondContact O-N 2.81Å; S430-L432 PolarHBondContact O-N 2.75Å; L432-F436 HydrophobicContact CD2-CD2 4.05Å; L432-F436 HydrophobicContact CD2-CE2 3.76Å; L432-F436 WeakPolarHBondContact O-CB 3.17Å; L432-F436 WeakPolarHBondContact O-CD2 3.38Å; L432-F436 PolarHBondContact O-N 2.99Å; L432-L440 HydrophobicContact CB-CD2 4.22Å; L432-I464 HydrophobicContact CD1-CD1 4.12Å; L432-I464 HydrophobicContact CD2-CD1 4.1Å; L432-L981 HydrophobicContact CD1-CD1 4.16Å; L432-L984 HydrophobicContact CB-CD1 4Å; L432-L984 HydrophobicContact CD1-CD1 3.84Å |
| 433 | K | 97.6 | Very high | 96.2 | Very high | 100 Ų | 100 | 41.2 Ų | 41.2 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 178.8 | -74 | 179.2 | 179.9 | -176.5 | 0 | 112.1 | A429 S430 Q437 L440 L984 | A429-K433 WeakPolarHBondContact O-CG 3.19Å; A429-K433 PolarHBondContact O-N 3.28Å; A429-K433 VanDerWaalsContact O-N 3.09Å; S430-K433 PolarHBondContact O-N 2.82Å; K433-Q437 VanDerWaalsContact O-CA 3.29Å; K433-Q437 WeakPolarHBondContact O-CA 3.14Å; K433-Q437 PolarHBondContact O-N 3.5Å; K433-L440 HydrophobicContact CB-CD2 4.48Å; K433-L440 HydrophobicContact CG-CD2 3.92Å; K433-L984 HydrophobicContact CD-CD2 4.29Å; K433-L984 VanDerWaalsContact CE-CD2 3.41Å; K433-L984 HydrophobicContact CG-CD2 3.93Å |
| 434 | D | 95.5 | Very high | 96.3 | Very high | 75 Ų | 75 | 41 Ų | 41 | 40% | 0.401 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -43.8 | -177.8 | 178.2 | 39.4 | 0 | 0 | 0 | 111.9 | R394 S430 Q437 | R394-D434 IonicContact CZ-OD2 3.61Å; R394-D434 IonicContact NH1-OD2 3.41Å; R394-D434 PolarHBondContact NH1-OD2 3.09Å; R394-D434 IonicContact NH2-OD2 2.77Å; R394-D434 PolarHBondContact NH2-OD2 3.43Å; S430-D434 VanDerWaalsContact O-CB 3.25Å; S430-D434 WeakPolarHBondContact O-CB 3.49Å; S430-D434 PolarHBondContact O-N 3.25Å; D434-Q437 WeakPolarHBondContact O-CG 3.48Å; D434-Q437 PolarHBondContact O-NE2 3.43Å; D434-Q437 VanDerWaalsContact O-NE2 3.12Å |
| 435 | V | 95.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76 | -46.2 | -179.6 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | L397 Y398 R401 D431 | L397-V435 HydrophobicContact CB-CB 4.09Å; L397-V435 HydrophobicContact CB-CG1 3.76Å; L397-V435 HydrophobicContact CB-CG2 4.14Å; L397-V435 HydrophobicContact CD1-CB 4.46Å; L397-V435 HydrophobicContact CD1-CG2 4.34Å; Y398-V435 HydrophobicContact CD1-CG1 3.81Å; Y398-V435 HydrophobicContact CD1-CG2 4.45Å; Y398-V435 HydrophobicContact CE1-CG1 4.01Å; Y398-V435 HydrophobicContact CE1-CG2 4.04Å; Y398-V435 HydrophobicContact CE2-CG2 4.12Å; Y398-V435 HydrophobicContact CG-CG1 4.25Å; R401-V435 HydrophobicContact CB-CG1 4.29Å; R401-V435 VanDerWaalsContact CD-O 3.22Å; R401-V435 WeakPolarHBondContact CD-O 3.41Å; R401-V435 PolarHBondContact NH1-O 2.92Å; D431-V435 VanDerWaalsContact O-CB 3.28Å; D431-V435 WeakPolarHBondContact O-CB 3.46Å; D431-V435 VanDerWaalsContact O-CG2 3.26Å; D431-V435 WeakPolarHBondContact O-CG2 3.44Å; D431-V435 PolarHBondContact O-N 3.07Å |
| 436 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -88.7 | -26.4 | -174.2 | -69.4 | -62.6 | 0 | 0 | 0 | 114.5 | L397 I400 R401 L414 L432 D438 M439 L440 V462 | L397-F436 HydrophobicContact CB-CE2 4.45Å; L397-F436 HydrophobicContact CB-CZ 4.46Å; L397-F436 HydrophobicContact CD2-CE2 3.87Å; L397-F436 HydrophobicContact CD2-CZ 4.21Å; I400-F436 HydrophobicContact CB-CE1 4.4Å; I400-F436 HydrophobicContact CB-CZ 4.14Å; I400-F436 HydrophobicContact CG2-CE1 3.91Å; I400-F436 HydrophobicContact CG2-CZ 3.77Å; R401-F436 HydrophobicContact CB-CD1 4.19Å; R401-F436 HydrophobicContact CB-CE1 3.98Å; R401-F436 VanDerWaalsContact NH1-C 3.26Å; R401-F436 PolarHBondContact NH1-O 3.11Å; L414-F436 HydrophobicContact CD1-CD2 4.41Å; L414-F436 HydrophobicContact CD1-CE2 3.47Å; L414-F436 VanDerWaalsContact CD1-CE2 3.47Å; L414-F436 HydrophobicContact CD1-CZ 3.78Å; L432-F436 HydrophobicContact CD2-CD2 4.05Å; L432-F436 HydrophobicContact CD2-CE2 3.76Å; L432-F436 WeakPolarHBondContact O-CB 3.17Å; L432-F436 WeakPolarHBondContact O-CD2 3.38Å; L432-F436 PolarHBondContact O-N 2.99Å; F436-D438 PolarHBondContact O-N 3.04Å; F436-M439 HydrophobicContact CB-CB 4.38Å; F436-M439 VanDerWaalsContact O-CB 3.25Å; F436-M439 WeakPolarHBondContact O-CB 3.34Å; F436-M439 WeakPolarHBondContact O-CG 3.23Å; F436-M439 PolarHBondContact O-N 3.37Å; F436-L440 HydrophobicContact CB-CB 3.8Å; F436-V462 HydrophobicContact CD1-CG2 4.01Å; F436-V462 HydrophobicContact CD2-CG1 4.39Å; F436-V462 HydrophobicContact CE1-CG2 4.27Å; F436-V462 HydrophobicContact CE2-CG1 4.37Å; F436-V462 HydrophobicContact CG-CG1 4.5Å; F436-V462 HydrophobicContact CG-CG2 4.47Å |
| 437 | Q | 96.9 | Very high | 95.4 | Very high | 112 Ų | 112 | 49.3 Ų | 49.3 | 52% | 0.523 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | 51.5 | -124.9 | 175.4 | -54.4 | 176.5 | -3.2 | 0 | 0 | 111.8 | K433 D434 M439 L440 | K433-Q437 VanDerWaalsContact O-CA 3.29Å; K433-Q437 WeakPolarHBondContact O-CA 3.14Å; K433-Q437 PolarHBondContact O-N 3.5Å; D434-Q437 WeakPolarHBondContact O-CG 3.48Å; D434-Q437 PolarHBondContact O-NE2 3.43Å; D434-Q437 VanDerWaalsContact O-NE2 3.12Å; Q437-M439 PolarHBondContact O-N 2.97Å; Q437-L440 WeakPolarHBondContact O-CB 3.3Å; Q437-L440 PolarHBondContact O-N 3.37Å |
| 438 | D | 94.4 | Very high | 95.2 | Very high | 98 Ų | 98 | 53.6 Ų | 53.6 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -61.5 | -20.3 | 179.5 | 65.2 | -62 | 0 | 0 | 0 | 114.4 | F436 L440 K461 | F436-D438 PolarHBondContact O-N 3.04Å; D438-L440 VanDerWaalsContact C-N 3.33Å; D438-K461 PolarHBondContact O-NZ 3.05Å |
| 439 | M | 98 | Very high | 94.9 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -72.2 | -29.8 | 174.2 | -54.5 | -178.4 | -174.4 | 0 | 0 | 111.2 | R401 F405 F436 Q437 L441 K461 V462 | R401-M439 HydrophobicContact CG-CE 4.16Å; R401-M439 HydrophobicContact CG-SD 3.99Å; F405-M439 HydrophobicContact CD2-SD 4.41Å; F405-M439 HydrophobicContact CE2-CB 4.5Å; F405-M439 HydrophobicContact CE2-CG 4.43Å; F405-M439 HydrophobicContact CE2-SD 3.97Å; F436-M439 HydrophobicContact CB-CB 4.38Å; F436-M439 VanDerWaalsContact O-CB 3.25Å; F436-M439 WeakPolarHBondContact O-CB 3.34Å; F436-M439 WeakPolarHBondContact O-CG 3.23Å; F436-M439 PolarHBondContact O-N 3.37Å; Q437-M439 PolarHBondContact O-N 2.97Å; M439-L441 PolarHBondContact O-N 2.86Å; M439-K461 CarbonylContact O-C 3.56Å; M439-K461 VanDerWaalsContact O-CA 3.31Å; M439-K461 WeakPolarHBondContact O-CA 3.36Å; M439-V462 HydrophobicContact CB-CG2 4.16Å; M439-V462 PolarHBondContact O-N 3.46Å |
| 440 | L | 98.7 | Very high | 94.7 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 122.8 | -178.3 | -169.7 | 62.4 | 0 | 0 | 0 | 110.6 | L432 K433 F436 Q437 D438 T442 V462 I464 L984 | L432-L440 HydrophobicContact CB-CD2 4.22Å; K433-L440 HydrophobicContact CB-CD2 4.48Å; K433-L440 HydrophobicContact CG-CD2 3.92Å; F436-L440 HydrophobicContact CB-CB 3.8Å; Q437-L440 WeakPolarHBondContact O-CB 3.3Å; Q437-L440 PolarHBondContact O-N 3.37Å; D438-L440 VanDerWaalsContact C-N 3.33Å; L440-T442 HydrophobicContact CD2-CG2 4.11Å; L440-T442 HydrophobicContact CG-CG2 4.07Å; L440-T442 PolarHBondContact O-N 3.5Å; L440-V462 HydrophobicContact CD1-CB 4.4Å; L440-V462 HydrophobicContact CD1-CG1 4.23Å; L440-I464 HydrophobicContact CD1-CD1 3.8Å; L440-I464 HydrophobicContact CD1-CG1 3.8Å; L440-L984 HydrophobicContact CD2-CD1 4.29Å; L440-L984 HydrophobicContact CD2-CD2 3.83Å |
| 441 | L | 98.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | trans | -80.8 | 114.8 | 172 | -170.5 | 78.1 | 0 | 0 | 0 | 110 | M439 V443 L445 L458 K461 V462 L463 V986 Y987 | M439-L441 PolarHBondContact O-N 2.86Å; L441-V443 WeakPolarHBondContact CD1-O 3.27Å; L441-V443 WeakPolarHBondContact CG-O 3.49Å; L441-L445 HydrophobicContact CD1-CD2 3.76Å; L441-L445 HydrophobicContact CD1-CG 4.4Å; L441-L458 HydrophobicContact CD2-CD2 4.1Å; L441-K461 HydrophobicContact CD1-CD 4.46Å; L441-V462 PolarHBondContact N-O 2.87Å; L441-L463 HydrophobicContact CB-CD2 3.73Å; L441-L463 HydrophobicContact CD2-CD2 3.47Å; L441-L463 VanDerWaalsContact CD2-CD2 3.47Å; L441-L463 HydrophobicContact CG-CD2 4.24Å; L441-V986 HydrophobicContact CD2-CB 4.1Å; L441-V986 HydrophobicContact CD2-CG1 3.99Å; L441-V986 HydrophobicContact CD2-CG2 4.36Å; L441-V986 HydrophobicContact CG-CG2 4.35Å; L441-Y987 HydrophobicContact CD2-CD2 3.57Å; L441-Y987 HydrophobicContact CD2-CE2 3.47Å; L441-Y987 VanDerWaalsContact CD2-CE2 3.47Å | ||
| 442 | T | 94.5 | Very high | 94.7 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | trans | -110.7 | -12.4 | -179.6 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | L440 L984 | L440-T442 HydrophobicContact CD2-CG2 4.11Å; L440-T442 HydrophobicContact CG-CG2 4.07Å; L440-T442 PolarHBondContact O-N 3.5Å; T442-L984 HydrophobicContact CG2-CD2 3.74Å | ||
| 443 | V | 92.7 | Very high | 94.7 | Very high | 94 Ų | 94 | 62 Ų | 62 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -137.3 | 146.1 | -176.8 | -163.3 | 0 | 0 | 0 | 0 | 108.5 | L441 | L441-V443 WeakPolarHBondContact CD1-O 3.27Å; L441-V443 WeakPolarHBondContact CG-O 3.49Å |
| 444 | P | 94.5 | Very high | 94.7 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | trans | -54 | 143.8 | 170.7 | -24.8 | 33.3 | 0 | 0 | 0 | 112.1 | D446 V986 Y987 | P444-D446 VanDerWaalsContact C-N 3.28Å; P444-V986 HydrophobicContact CB-CG1 4.23Å; P444-V986 HydrophobicContact CG-CG1 3.87Å; P444-Y987 WeakPolarHBondContact CA-OH 3.4Å | ||
| 445 | L | 93.7 | Very high | 94.8 | Very high | 79 Ų | 79 | 54.1 Ų | 54.1 | 41% | 0.414 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -67.2 | -32.7 | 174.4 | -63.6 | -176.6 | 0 | 0 | 0 | 112.2 | L441 P453 Q457 L458 Y987 | L441-L445 HydrophobicContact CD1-CD2 3.76Å; L441-L445 HydrophobicContact CD1-CG 4.4Å; L445-P453 HydrophobicContact CD1-CB 4Å; L445-P453 HydrophobicContact CD1-CG 4.47Å; L445-Q457 HydrophobicContact CD1-CB 3.85Å; L445-L458 HydrophobicContact CD1-CD2 3.87Å; L445-L458 HydrophobicContact CD1-CG 4.42Å; L445-L458 HydrophobicContact CG-CD2 4.47Å; L445-Y987 PolarHBondContact N-OH 3.31Å |
| 446 | D | 90.5 | Very high | 95 | Very high | 88 Ų | 88 | 56.9 Ų | 56.9 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | trans | -140 | 125.2 | 176.1 | 177.2 | 5.7 | 0 | 0 | 0 | 107.6 | P444 D448 A449 | P444-D446 VanDerWaalsContact C-N 3.28Å; D446-D448 VanDerWaalsContact C-N 3.34Å; D446-D448 PolarHBondContact OD1-N 2.93Å; D446-A449 HydrophobicContact CB-CB 4.11Å; D446-A449 WeakPolarHBondContact O-CB 3.19Å | ||
| 447 | A | 83.8 | Confident | 95 | Very high | 95 Ų | 95 | 62.7 Ų | 62.7 | 79% | 0.785 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -27.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A449 | A447-A449 VanDerWaalsContact C-N 3.33Š|
| 448 | D | 89.6 | Confident | 95.1 | Very high | 145 Ų | 145 | 57.3 Ų | 57.3 | 78% | 0.775 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 9.3 | -179.4 | -61.7 | -44.6 | 0 | 0 | 0 | 112.1 | D446 T450 | D446-D448 VanDerWaalsContact C-N 3.34Å; D446-D448 PolarHBondContact OD1-N 2.93Å; D448-T450 PolarHBondContact O-N 3.35Å |
| 449 | A | 91.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 56 Ų | 56 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | trans | -56.2 | 134.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | D446 A447 F1002 | D446-A449 HydrophobicContact CB-CB 4.11Å; D446-A449 WeakPolarHBondContact O-CB 3.19Å; A447-A449 VanDerWaalsContact C-N 3.33Å; A449-F1002 HydrophobicContact CB-CE2 4.49Å; A449-F1002 HydrophobicContact CB-CZ 3.95Å; A449-F1002 WeakPolarHBondContact O-CE1 3.14Å; A449-F1002 VanDerWaalsContact O-CZ 3.23Å; A449-F1002 WeakPolarHBondContact O-CZ 3.42Å | ||
| 450 | T | 92.8 | Very high | 95.3 | Very high | 100 Ų | 100 | 60.4 Ų | 60.4 | 61% | 0.613 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -104.9 | -6 | 176.9 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | D448 F1002 R1027 | D448-T450 PolarHBondContact O-N 3.35Å; T450-F1002 WeakPolarHBondContact O-CD1 3.34Å; T450-R1027 PolarHBondContact O-NE 2.76Å; T450-R1027 PolarHBondContact O-NH2 3.36Å |
| 451 | E | 95.9 | Very high | 95.3 | Very high | 111 Ų | 111 | 62.9 Ų | 62.9 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -145.2 | 169.9 | -179.2 | 61.7 | -175.8 | -167.5 | 0 | 0 | 111.6 | P323 F1002 | P323-E451 HydrophobicContact CG-CB 4.4Å; P323-E451 VanDerWaalsContact CG-CD 3.46Å; P323-E451 HydrophobicContact CG-CG 4.12Å; P323-E451 WeakPolarHBondContact CG-OE2 3.18Å; E451-F1002 WeakPolarHBondContact O-CD2 3.19Å; E451-F1002 WeakPolarHBondContact O-CE2 3.44Å |
| 452 | L | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 140.9 | 176.9 | -75.4 | 166.7 | 0 | 0 | 0 | 110.2 | P323 L324 C325 Y987 F1002 L1029 | P323-L452 WeakPolarHBondContact CA-O 3.43Å; P323-L452 HydrophobicContact CB-CB 4.49Å; P323-L452 WeakPolarHBondContact CB-O 3.41Å; L324-L452 HydrophobicContact CB-CB 4.14Å; L324-L452 HydrophobicContact CB-CD1 4.46Å; C325-L452 HydrophobicContact CB-CD1 3.88Å; L452-Y987 HydrophobicContact CD2-CD1 4.11Å; L452-Y987 HydrophobicContact CD2-CG 4.26Å; L452-F1002 HydrophobicContact CD2-CD2 3.98Å; L452-F1002 WeakPolarHBondContact CD2-O 3.43Å; L452-F1002 HydrophobicContact CG-CB 4.43Å; L452-F1002 HydrophobicContact CG-CD2 3.99Å; L452-F1002 WeakPolarHBondContact CG-O 3.38Å; L452-L1029 HydrophobicContact CD1-CD1 4.34Å; L452-L1029 HydrophobicContact CD1-CD2 4.26Å; L452-L1029 HydrophobicContact CD1-CG 3.88Å |
| 453 | P | 98 | Very high | 95.5 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 159.5 | 172.7 | 30.4 | -37.9 | 0 | 0 | 0 | 111 | L324 L445 Q457 L458 Y987 | L324-P453 VanDerWaalsContact CB-O 3.29Å; L324-P453 WeakPolarHBondContact CB-O 3.2Å; L324-P453 PolarHBondContact N-O 2.91Å; L445-P453 HydrophobicContact CD1-CB 4Å; L445-P453 HydrophobicContact CD1-CG 4.47Å; P453-Q457 HydrophobicContact CB-CB 4.24Å; P453-L458 HydrophobicContact CB-CD1 4.38Å; P453-L458 HydrophobicContact CB-CG 4.12Å; P453-L458 HydrophobicContact CG-CD1 3.68Å; P453-L458 HydrophobicContact CG-CD2 3.93Å; P453-L458 HydrophobicContact CG-CG 3.78Å; P453-Y987 HydrophobicContact CG-CD2 3.88Å; P453-Y987 HydrophobicContact CG-CE1 4.26Å; P453-Y987 HydrophobicContact CG-CE2 3.54Å; P453-Y987 HydrophobicContact CG-CG 4.37Å |
| 454 | S | 98.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 158.7 | 178.2 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | M320 T321 R322 E456 Q457 L458 | M320-S454 WeakPolarHBondContact O-CB 3.42Å; T321-S454 VanDerWaalsContact O-CB 3.22Å; T321-S454 WeakPolarHBondContact O-CB 3.37Å; R322-S454 WeakPolarHBondContact O-CA 3.28Å; R322-S454 WeakPolarHBondContact O-CB 3.49Å; S454-E456 PolarHBondContact O-N 2.87Å; S454-Q457 PolarHBondContact O-N 3.41Å; S454-Q457 VanDerWaalsContact O-N 3.17Å; S454-Q457 WeakPolarHBondContact OG-CG 3.41Å; S454-Q457 PolarHBondContact OG-N 3.3Å; S454-Q457 PolarHBondContact OG-OE1 3.02Å; S454-L458 PolarHBondContact O-N 3Å; S454-L458 VanDerWaalsContact O-N 3.12Å |
| 455 | P | 98.4 | Very high | 96 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -37.9 | 169.2 | -26.8 | 33.8 | 0 | 0 | 0 | 113.3 | M320 R322 L324 Y327 Y410 L458 K459 | M320-P455 HydrophobicContact CE-CB 3.72Å; M320-P455 HydrophobicContact CE-CG 3.86Å; M320-P455 WeakPolarHBondContact O-CD 3.42Å; R322-P455 WeakPolarHBondContact O-CD 3.32Å; L324-P455 HydrophobicContact CD1-CG 3.96Å; Y327-P455 HydrophobicContact CD2-CG 3.74Å; Y327-P455 VanDerWaalsContact CE2-CD 3.46Å; Y327-P455 HydrophobicContact CE2-CG 3.58Å; Y327-P455 HydrophobicContact CG-CG 4.3Å; Y410-P455 HydrophobicContact CD1-CB 3.45Å; Y410-P455 VanDerWaalsContact CD1-CB 3.45Å; Y410-P455 WeakPolarHBondContact CD1-O 3.43Å; Y410-P455 HydrophobicContact CE1-CB 3.84Å; Y410-P455 HydrophobicContact CG-CB 4.25Å; P455-L458 CarbonylContact O-C 3.53Å; P455-L458 PolarHBondContact O-N 3.33Å; P455-K459 PolarHBondContact O-N 2.93Å |
| 456 | E | 97.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -45.7 | 175.8 | -78.4 | -64.2 | 138.3 | 0 | 0 | 112.6 | M320 T321 Y410 S454 L458 K459 | M320-E456 HydrophobicContact CB-CG 3.7Å; M320-E456 VanDerWaalsContact O-CG 3.31Å; M320-E456 WeakPolarHBondContact O-CG 3.42Å; M320-E456 PolarHBondContact O-N 3.2Å; T321-E456 HydrophobicContact CG2-CB 4.49Å; T321-E456 HydrophobicContact CG2-CG 4.15Å; Y410-E456 HydrophobicContact CE1-CG 4.39Å; Y410-E456 VanDerWaalsContact CE1-OE1 3.28Å; Y410-E456 WeakPolarHBondContact CE1-OE1 3.18Å; Y410-E456 PolarHBondContact OH-OE1 2.84Å; S454-E456 PolarHBondContact O-N 2.87Å; E456-L458 PolarHBondContact O-N 2.85Å; E456-K459 VanDerWaalsContact CD-CE 3.44Å; E456-K459 WeakPolarHBondContact O-CG 3.34Å; E456-K459 PolarHBondContact O-N 2.83Å; E456-K459 WeakPolarHBondContact OE1-CE 3.44Å; E456-K459 IonicContact OE1-NZ 2.67Å; E456-K459 PolarHBondContact OE1-NZ 3.29Å; E456-K459 WeakPolarHBondContact OE2-CE 3.41Å; E456-K459 IonicContact OE2-NZ 2.73Å; E456-K459 PolarHBondContact OE2-NZ 3.41Å |
| 457 | Q | 98.3 | Very high | 96.4 | Very high | 121 Ų | 121 | 52 Ų | 52 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.7 | 176.5 | -72.3 | 171.7 | -53.9 | 0 | 0 | 112.8 | L445 P453 S454 | L445-Q457 HydrophobicContact CD1-CB 3.85Å; P453-Q457 HydrophobicContact CB-CB 4.24Å; S454-Q457 PolarHBondContact O-N 3.41Å; S454-Q457 VanDerWaalsContact O-N 3.17Å; S454-Q457 WeakPolarHBondContact OG-CG 3.41Å; S454-Q457 PolarHBondContact OG-N 3.3Å; S454-Q457 PolarHBondContact OG-OE1 3.02Å |
| 458 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 14.7 | -178.2 | -70 | 175 | 0 | 0 | 0 | 113.8 | L324 P411 L441 L445 P453 S454 P455 E456 R460 K461 L463 Y987 | L324-L458 HydrophobicContact CD2-CD1 4.04Å; P411-L458 HydrophobicContact CB-CB 3.84Å; P411-L458 HydrophobicContact CB-CD1 4.45Å; P411-L458 HydrophobicContact CG-CB 3.61Å; P411-L458 HydrophobicContact CG-CD1 4.07Å; L441-L458 HydrophobicContact CD2-CD2 4.1Å; L445-L458 HydrophobicContact CD1-CD2 3.87Å; L445-L458 HydrophobicContact CD1-CG 4.42Å; L445-L458 HydrophobicContact CG-CD2 4.47Å; P453-L458 HydrophobicContact CB-CD1 4.38Å; P453-L458 HydrophobicContact CB-CG 4.12Å; P453-L458 HydrophobicContact CG-CD1 3.68Å; P453-L458 HydrophobicContact CG-CD2 3.93Å; P453-L458 HydrophobicContact CG-CG 3.78Å; S454-L458 PolarHBondContact O-N 3Å; S454-L458 VanDerWaalsContact O-N 3.12Å; P455-L458 CarbonylContact O-C 3.53Å; P455-L458 PolarHBondContact O-N 3.33Å; E456-L458 PolarHBondContact O-N 2.85Å; L458-R460 PolarHBondContact O-N 2.87Å; L458-K461 VanDerWaalsContact O-CB 3.32Å; L458-K461 WeakPolarHBondContact O-CB 3.29Å; L458-K461 PolarHBondContact O-N 3.49Å; L458-L463 HydrophobicContact CD1-CD1 4.05Å; L458-L463 HydrophobicContact CD2-CD2 4.22Å; L458-Y987 HydrophobicContact CD2-CD2 4.48Å; L458-Y987 HydrophobicContact CD2-CE2 4.36Å |
| 459 | K | 98.3 | Very high | 97 | Very high | 69 Ų | 69 | 43.9 Ų | 43.9 | 30% | 0.3 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 133.3 | 178.3 | -87.6 | 178.4 | 168 | 168.7 | 0 | 111.8 | E409 Y410 P455 E456 K461 | E409-K459 HydrophobicContact CB-CG 4.38Å; E409-K459 CarbonylContact O-C 3.53Å; E409-K459 WeakPolarHBondContact O-CA 3.45Å; Y410-K459 HydrophobicContact CD1-CG 4.35Å; Y410-K459 HydrophobicContact CE1-CG 4.43Å; P455-K459 PolarHBondContact O-N 2.93Å; E456-K459 VanDerWaalsContact CD-CE 3.44Å; E456-K459 WeakPolarHBondContact O-CG 3.34Å; E456-K459 PolarHBondContact O-N 2.83Å; E456-K459 WeakPolarHBondContact OE1-CE 3.44Å; E456-K459 IonicContact OE1-NZ 2.67Å; E456-K459 PolarHBondContact OE1-NZ 3.29Å; E456-K459 WeakPolarHBondContact OE2-CE 3.41Å; E456-K459 IonicContact OE2-NZ 2.73Å; E456-K459 PolarHBondContact OE2-NZ 3.41Å; K459-K461 PolarHBondContact O-N 3.43Å |
| 460 | R | 98.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 46.5 Ų | 46.5 | 42% | 0.423 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 23 | -179.6 | -52.4 | -175.4 | 73.3 | -111.2 | 1 | 114 | F405 E409 L458 | F405-R460 HydrophobicContact CD2-CB 4.39Å; F405-R460 VanDerWaalsContact CE1-CA 3.48Å; F405-R460 HydrophobicContact CE2-CB 4.35Å; F405-R460 HydrophobicContact CG-CB 4.5Å; F405-R460 HydrophobicContact CG-CG 4.44Å; F405-R460 HydrophobicContact CZ-CB 4.44Å; F405-R460 WeakPolarHBondContact CZ-O 3.18Å; E409-R460 HydrophobicContact CB-CG 4.49Å; E409-R460 PolarHBondContact O-N 3.39Å; L458-R460 PolarHBondContact O-N 2.87Å |
| 461 | K | 98.7 | Very high | 95.3 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | trans | -99.9 | 140.9 | 175.3 | -61.1 | -61.3 | 177.5 | 179.5 | 0 | 112.9 | P411 L412 D438 M439 L441 L458 K459 | P411-K461 CarbonylContact C-O 3.4Å; P411-K461 WeakPolarHBondContact CA-O 3.46Å; P411-K461 WeakPolarHBondContact CB-O 3.45Å; L412-K461 PolarHBondContact N-O 3.24Å; D438-K461 PolarHBondContact O-NZ 3.05Å; M439-K461 CarbonylContact O-C 3.56Å; M439-K461 VanDerWaalsContact O-CA 3.31Å; M439-K461 WeakPolarHBondContact O-CA 3.36Å; L441-K461 HydrophobicContact CD1-CD 4.46Å; L458-K461 VanDerWaalsContact O-CB 3.32Å; L458-K461 WeakPolarHBondContact O-CB 3.29Å; L458-K461 PolarHBondContact O-N 3.49Å; K459-K461 PolarHBondContact O-N 3.43Å | ||
| 462 | V | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.3 | 172.1 | 178.9 | 0 | 0 | 0 | 0 | 107.8 | F405 L412 L414 F436 M439 L440 L441 | F405-V462 HydrophobicContact CE2-CG2 4.29Å; F405-V462 HydrophobicContact CZ-CG2 3.96Å; L412-V462 CarbonylContact O-C 3.43Å; L412-V462 VanDerWaalsContact O-CA 3.3Å; L412-V462 WeakPolarHBondContact O-CA 3.43Å; L414-V462 HydrophobicContact CD1-CG1 3.7Å; L414-V462 HydrophobicContact CD2-CG1 4.41Å; L414-V462 HydrophobicContact CG-CG1 3.71Å; F436-V462 HydrophobicContact CD1-CG2 4.01Å; F436-V462 HydrophobicContact CD2-CG1 4.39Å; F436-V462 HydrophobicContact CE1-CG2 4.27Å; F436-V462 HydrophobicContact CE2-CG1 4.37Å; F436-V462 HydrophobicContact CG-CG1 4.5Å; F436-V462 HydrophobicContact CG-CG2 4.47Å; M439-V462 HydrophobicContact CB-CG2 4.16Å; M439-V462 PolarHBondContact O-N 3.46Å; L440-V462 HydrophobicContact CD1-CB 4.4Å; L440-V462 HydrophobicContact CD1-CG1 4.23Å; L441-V462 PolarHBondContact N-O 2.87Å |
| 463 | L | 98.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139 | -179.9 | -55.8 | -176 | 0 | 0 | 0 | 110.1 | L324 P411 L412 I413 L414 L441 L458 | L324-L463 HydrophobicContact CD2-CD1 4.37Å; P411-L463 HydrophobicContact CB-CD1 4.49Å; L412-L463 PolarHBondContact O-N 2.62Å; I413-L463 CarbonylContact C-O 3.28Å; I413-L463 WeakPolarHBondContact CA-O 3.48Å; I413-L463 HydrophobicContact CG1-CB 4.18Å; I413-L463 HydrophobicContact CG1-CD1 4.17Å; L414-L463 PolarHBondContact N-O 3.16Å; L441-L463 HydrophobicContact CB-CD2 3.73Å; L441-L463 HydrophobicContact CD2-CD2 3.47Å; L441-L463 VanDerWaalsContact CD2-CD2 3.47Å; L441-L463 HydrophobicContact CG-CD2 4.24Å; L458-L463 HydrophobicContact CD1-CD1 4.05Å; L458-L463 HydrophobicContact CD2-CD2 4.22Å |
| 464 | I | 98.8 | Very high | 87.3 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.4 | 174.4 | -54.6 | -53.9 | 0 | 0 | 0 | 110 | L414 I416 L432 L440 H466 L984 V985 | L414-I464 HydrophobicContact CB-CD1 4Å; L414-I464 HydrophobicContact CD1-CD1 3.91Å; L414-I464 HydrophobicContact CG-CD1 4.23Å; I416-I464 HydrophobicContact CD1-CG2 3.69Å; I416-I464 HydrophobicContact CG1-CG2 4.39Å; L432-I464 HydrophobicContact CD1-CD1 4.12Å; L432-I464 HydrophobicContact CD2-CD1 4.1Å; L440-I464 HydrophobicContact CD1-CD1 3.8Å; L440-I464 HydrophobicContact CD1-CG1 3.8Å; I464-H466 HydrophobicContact CG2-CB 4.12Å; I464-L984 HydrophobicContact CB-CB 4.4Å; I464-L984 HydrophobicContact CG1-CB 4.08Å; I464-V985 HydrophobicContact CG2-CG2 4.37Å |
| 465 | K | 98.5 | Very high | 84.1 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 10% | 0.096 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.3 | 167 | 174.6 | -102.6 | 177.9 | -179.6 | 0 | 108.9 | I413 L414 S415 I416 C988 M1005 | I413-K465 HydrophobicContact CG2-CB 3.85Å; L414-K465 PolarHBondContact O-N 3.48Å; S415-K465 VanDerWaalsContact OG-CD 3.32Å; S415-K465 WeakPolarHBondContact OG-CD 3.3Å; S415-K465 PolarHBondContact OG-NZ 2.98Å; I416-K465 PolarHBondContact N-O 3.27Å; K465-C988 WeakPolarHBondContact CA-O 3.33Å; K465-C988 HydrophobicContact CB-CB 3.66Å; K465-C988 HydrophobicContact CG-CB 4.17Å; K465-M1005 HydrophobicContact CB-SD 4.38Å; K465-M1005 HydrophobicContact CG-CE 4.32Å; K465-M1005 HydrophobicContact CG-SD 3.56Å; K465-M1005 VanDerWaalsContact CG-SD 3.56Å |
| 466 | H | 98.2 | Very high | 80.7 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.06 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 171.3 | 177.3 | -167.9 | -98.2 | 0 | 0 | 0 | 110.4 | D418 I464 V985 C988 A990 | D418-H466 WeakPolarHBondContact CB-NE2 3.4Å; D418-H466 IonicContact OD2-CE1 2.71Å; D418-H466 IonicContact OD2-NE2 3.88Å; D418-H466 PolarHBondContact OD2-NE2 2.88Å; I464-H466 HydrophobicContact CG2-CB 4.12Å; H466-V985 HydrophobicContact CB-CG2 3.66Å; H466-C988 PolarHBondContact N-O 2.86Å; H466-A990 PolarHBondContact O-N 3.24Å |
| 467 | K | 95.7 | Very high | 77.3 | Confident | 132 Ų | 132 | 72.5 Ų | 72.5 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | trans | -71.2 | 151.5 | 168.9 | -66.4 | 176.7 | -177.9 | 168.6 | 0 | 110.1 | I977 A990 | K467-I977 HydrophobicContact CB-CD1 3.51Å; K467-I977 HydrophobicContact CB-CG1 4.45Å; K467-I977 HydrophobicContact CD-CD1 4.31Å; K467-A990 HydrophobicContact CG-CB 4.35Å | ||
| 468 | K | 93.2 | Very high | 73.8 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | trans | -123.4 | 142.9 | -179.3 | -164.1 | 170.7 | -171.8 | 164 | 0 | 110.7 | S982 V985 Q989 | K468-S982 WeakPolarHBondContact CE-O 3.19Å; K468-S982 VanDerWaalsContact CG-OG 3.27Å; K468-S982 WeakPolarHBondContact CG-OG 3.42Å; K468-V985 HydrophobicContact CB-CB 4.42Å; K468-V985 HydrophobicContact CB-CG1 4.45Å; K468-V985 HydrophobicContact CD-CB 4.25Å; K468-V985 WeakPolarHBondContact CE-O 3.4Å; K468-V985 HydrophobicContact CG-CB 4.47Å; K468-V985 PolarHBondContact NZ-O 2.86Å; K468-Q989 HydrophobicContact CB-CG 3.82Å | ||
| 469 | L | 91.5 | Very high | 70.3 | Confident | 12 Ų | 12 | 79 Ų | 79 | 6% | 0.063 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 142 | 170.7 | -68.7 | 173.7 | 0 | 0 | 0 | 109.8 | V471 L968 E972 L975 I977 S982 | L469-V471 PolarHBondContact O-N 3.1Å; L469-L968 HydrophobicContact CD1-CD1 4.12Å; L469-E972 HydrophobicContact CD1-CG 3.96Å; L469-L975 HydrophobicContact CD2-CB 4.12Å; L469-L975 HydrophobicContact CD2-CD1 3.76Å; L469-I977 HydrophobicContact CD2-CB 3.97Å; L469-I977 HydrophobicContact CD2-CG2 4.35Å; L469-I977 HydrophobicContact CG-CB 4.27Å; L469-I977 HydrophobicContact CG-CG2 4.09Å; L469-S982 PolarHBondContact N-OG 3.41Å |
| 470 | P | 83.5 | Confident | 66.8 | Low | 80 Ų | 80 | 80.7 Ų | 80.7 | 52% | 0.519 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 128.2 | 173.6 | -20.6 | 31.6 | 0 | 0 | 0 | 111.2 | L975 | P470-L975 HydrophobicContact CG-CD1 4.15Š|
| 471 | V | 66.3 | Low | 63.2 | Low | 118 Ų | 118 | 80.2 Ų | 80.2 | 72% | 0.715 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 130 | 171.5 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | L469 S473 | L469-V471 PolarHBondContact O-N 3.1Å; V471-S473 PolarHBondContact O-N 3.36Å; V471-S473 VanDerWaalsContact O-N 3.07Å |
| 472 | D | 52.8 | Low | 59.6 | Low | 112 Ų | 112 | 81.7 Ų | 81.7 | 60% | 0.599 | 49% | 0.485 | S | S | * | . | trans | -72.6 | 96.7 | 169.6 | -65 | -41 | 0 | 0 | 0 | 107.5 | S474 K971 | D472-S474 PolarHBondContact O-N 2.76Å; D472-K971 IonicContact OD1-NZ 3.72Å; D472-K971 PolarHBondContact OD1-NZ 3.48Å; D472-K971 IonicContact OD2-NZ 2.81Å; D472-K971 PolarHBondContact OD2-NZ 3.09Å | ||
| 473 | S | 40.3 | Very low | 56.1 | Low | 69 Ų | 69 | 85.6 Ų | 85.6 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | trans | -61.2 | 128.7 | 162.2 | 41.6 | 0 | 0 | 0 | 0 | 107.6 | V471 D475 | V471-S473 PolarHBondContact O-N 3.36Å; V471-S473 VanDerWaalsContact O-N 3.07Å; S473-D475 CarbonylContact O-C 3.59Å; S473-D475 PolarHBondContact O-N 3.48Å; S473-D475 VanDerWaalsContact O-O 3.13Å | ||
| 474 | S | 30.5 | Very low | 52.4 | Low | 129 Ų | 129 | 94.4 Ų | 94.4 | 90% | 0.902 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -56.8 | -7.8 | 173.8 | 39.3 | 0 | 0 | 0 | 0 | 114 | D472 G476 | D472-S474 PolarHBondContact O-N 2.76Å; S474-G476 PolarHBondContact O-N 2.99Å; S474-G476 VanDerWaalsContact O-N 3.1Å |
| 475 | D | 30.5 | Very low | 48.9 | Very low | 118 Ų | 118 | 101.2 Ų | 101.2 | 63% | 0.631 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -65.8 | 105.3 | 161.1 | -70.4 | -25.4 | 0 | 0 | 0 | 109.2 | S473 R477 | S473-D475 CarbonylContact O-C 3.59Å; S473-D475 PolarHBondContact O-N 3.48Å; S473-D475 VanDerWaalsContact O-O 3.13Å; D475-R477 PolarHBondContact O-N 3.16Å |
| 476 | G | 26.4 | Very low | 45.2 | Very low | 77 Ų | 77 | 105.1 Ų | 105.1 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | trans | -55.8 | 17.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S474 T478 | S474-G476 PolarHBondContact O-N 2.99Å; S474-G476 VanDerWaalsContact O-N 3.1Å; G476-T478 PolarHBondContact O-N 2.98Å | ||
| 477 | R | 27.7 | Very low | 41.8 | Very low | 215 Ų | 215 | 110.8 Ų | 110.8 | 81% | 0.811 | 65% | 0.654 | S | S | * | * | trans | -75.9 | 79.3 | 159.5 | -64.1 | -177.1 | -172.1 | 174.2 | 4.6 | 108.3 | D475 N479 | D475-R477 PolarHBondContact O-N 3.16Å; R477-N479 PolarHBondContact O-N 3.32Å | ||
| 478 | T | 24.5 | Very low | 38.3 | Very low | 108 Ų | 108 | 111.5 Ų | 111.5 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | trans | -41 | 117.1 | 157.2 | 46 | 0 | 0 | 0 | 0 | 108.6 | G476 S480 | G476-T478 PolarHBondContact O-N 2.98Å; T478-S480 PolarHBondContact O-N 2.87Å | ||
| 479 | N | 25.2 | Very low | 35.1 | Very low | 149 Ų | 149 | 114.7 Ų | 114.7 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -69.3 | 37 | 170.3 | -85.2 | -41 | 0 | 0 | 0 | 111.3 | R477 S481 | R477-N479 PolarHBondContact O-N 3.32Å; N479-S481 PolarHBondContact O-N 3.19Å |
| 480 | S | 24.2 | Very low | 31.8 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -82.1 | 4.9 | 176.1 | -70.3 | 0 | 0 | 0 | 0 | 112.8 | T478 | T478-S480 PolarHBondContact O-N 2.87Š| ||
| 481 | S | 23 | Very low | 29 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -108.9 | 58.4 | 173.7 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | N479 | N479-S481 PolarHBondContact O-N 3.19Š| ||
| 482 | A | 23.5 | Very low | 26.8 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -86.1 | 23.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 483 | A | 24.6 | Very low | 25.4 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -97.5 | 108.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 484 | F | 22.5 | Very low | 24.4 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | trans | -66.9 | 121.2 | -177.5 | -145.2 | -98.4 | 0 | 0 | 0 | 111 | ||||
| 485 | I | 23.6 | Very low | 23.8 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | -132.8 | 128.7 | 151.6 | -61 | -178.9 | 0 | 0 | 0 | 106.4 | ||||
| 486 | P | 22.4 | Very low | 23.4 | Very low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | trans | -84.1 | 119.2 | -177.3 | 31.9 | -28.4 | 0 | 0 | 0 | 110 | ||||
| 487 | T | 25.8 | Very low | 23.1 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -139.3 | 128.5 | 162.2 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 488 | D | 23.6 | Very low | 22.8 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -63.1 | 176.2 | 170.7 | -151.3 | -17.6 | 0 | 0 | 0 | 111.4 | ||||
| 489 | D | 25.8 | Very low | 22.6 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | trans | 92 | 92.2 | 172 | -61.1 | -32.8 | 0 | 0 | 0 | 119.2 | ||||
| 490 | R | 21.5 | Very low | 22.4 | Very low | 236 Ų | 236 | 139.6 Ų | 139.6 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | 23.8 | 97 | 121 | -58.5 | 179.5 | -176.6 | -170.8 | 0.6 | 116.7 | |||||
| 491 | I | 23.5 | Very low | 22.3 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -131.2 | 105.4 | 150.5 | -55.8 | -179.2 | 0 | 0 | 0 | 108.7 | V493 | I491-V493 HydrophobicContact CG2-CG2 3.62Š| ||
| 492 | S | 20.8 | Very low | 22.2 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 113.6 | 162.8 | 47.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 493 | V | 22.8 | Very low | 22 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -113.1 | 122.6 | 168.9 | -165.2 | 0 | 0 | 0 | 0 | 108.3 | I491 | I491-V493 HydrophobicContact CG2-CG2 3.62Š| ||
| 494 | Q | 19.4 | Very low | 21.8 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -76.1 | 143.5 | -173.8 | -172.5 | 171.8 | -22.3 | 0 | 0 | 110.4 | ||||
| 495 | F | 18.3 | Very low | 21.7 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -55.8 | 127.4 | 176.7 | -96.3 | -109.9 | 0 | 0 | 0 | 112 | ||||
| 496 | D | 23.1 | Very low | 21.5 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -119.8 | 118.9 | 155.9 | -96.3 | -30.9 | 0 | 0 | 0 | 109.6 | ||||
| 497 | L | 19.2 | Very low | 21.5 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 117.8 | 170.3 | -110.5 | 76.6 | 0 | 0 | 0 | 108.4 | ||||
| 498 | F | 21.6 | Very low | 21.4 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -133.4 | 102.9 | 156.2 | -92.1 | -79.8 | 0 | 0 | 0 | 111.2 | ||||
| 499 | S | 21 | Very low | 21.4 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 41.3 | 89.1 | 137.2 | -155.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 500 | S | 21.2 | Very low | 21.4 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -111.9 | 99.9 | 157.6 | -62 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 501 | S | 20.3 | Very low | 21.8 | Very low | 97 Ų | 97 | 146.8 Ų | 146.8 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -126.8 | 74.7 | 175.1 | -63.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 502 | I | 21.3 | Very low | 22.1 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -137.4 | 95.5 | 158 | -59.4 | -177.1 | 0 | 0 | 0 | 107.4 | ||||
| 503 | F | 18.8 | Very low | 22.6 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 75% | 0.746 | 77% | 0.769 | S | S | * | * | trans | -72.5 | 147.9 | 160.1 | -80.9 | -101.1 | 0 | 0 | 0 | 109.2 | ||||
| 504 | F | 21.1 | Very low | 23.4 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | 165.8 | 121.8 | 111.9 | -98.3 | -92.8 | 0 | 0 | 0 | 112.5 | |||||
| 505 | F | 20.3 | Very low | 24.9 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | 42.9 | 116.1 | 139.6 | -73.1 | -103.8 | 0 | 0 | 0 | 122.4 | ||||
| 506 | G | 20.2 | Very low | 26.6 | Very low | 66 Ų | 66 | 134.7 Ų | 134.7 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | 81.3 | 103.8 | 89.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 507 | I | 22.5 | Very low | 28.1 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 81% | 0.805 | 69% | 0.693 | S | S | * | * | trans | 60.5 | 104.2 | 146.8 | -50.1 | 176.1 | 0 | 0 | 0 | 116.7 | P509 | I507-P509 WeakPolarHBondContact O-CD 3.31Å; I507-P509 WeakPolarHBondContact O-CG 3.4Å | ||
| 508 | F | 22.8 | Very low | 30 | Very low | 207 Ų | 207 | 126 Ų | 126 | 91% | 0.908 | 68% | 0.681 | S | S | * | * | trans | -52.2 | 112.4 | 169.6 | -67.9 | -90.3 | 0 | 0 | 0 | 114.1 | ||||
| 509 | P | 24.9 | Very low | 31.9 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 71% | 0.708 | 66% | 0.655 | S | S | * | * | trans | -108.7 | 165.9 | 157.5 | 11.6 | 14.9 | 0 | 0 | 0 | 109.6 | I507 | I507-P509 WeakPolarHBondContact O-CD 3.31Å; I507-P509 WeakPolarHBondContact O-CG 3.4Å | ||
| 510 | A | 25.8 | Very low | 34 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 79% | 0.793 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -33.9 | 130.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q512 | A510-Q512 PolarHBondContact O-N 2.89Š|
| 511 | F | 28 | Very low | 36.5 | Very low | 178 Ų | 178 | 119.1 Ų | 119.1 | 78% | 0.781 | 64% | 0.641 | S | S | * | * | trans | -42.5 | 99.3 | 174.3 | -94.8 | -107.2 | 0 | 0 | 0 | 111.9 | ||||
| 512 | Q | 29.7 | Very low | 39.4 | Very low | 156 Ų | 156 | 115.9 Ų | 115.9 | 73% | 0.729 | 62% | 0.618 | S | S | * | * | trans | -95.2 | 141.4 | 156.9 | -100.6 | 178.9 | -15.7 | 0 | 0 | 107.8 | A510 N514 D515 | A510-Q512 PolarHBondContact O-N 2.89Å; Q512-N514 PolarHBondContact O-N 3.21Å; Q512-D515 PolarHBondContact O-N 2.88Å; Q512-D515 VanDerWaalsContact O-N 3.09Å | ||
| 513 | D | 32.9 | Very low | 42.5 | Very low | 87 Ų | 87 | 113 Ų | 113 | 47% | 0.465 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -43.2 | -25.2 | -176.1 | -74.8 | -38.6 | 0 | 0 | 0 | 115.7 | ||
| 514 | N | 39.9 | Very low | 45.9 | Very low | 133 Ų | 133 | 106.7 Ų | 106.7 | 71% | 0.711 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.7 | -19.2 | -175.4 | -73.3 | -21.8 | 0 | 0 | 0 | 114.7 | Q512 S518 | Q512-N514 PolarHBondContact O-N 3.21Å; N514-S518 PolarHBondContact O-OG 3.3Å |
| 515 | D | 50.8 | Low | 49.2 | Very low | 106 Ų | 106 | 103.8 Ų | 103.8 | 57% | 0.567 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -89.2 | -26.4 | -168 | -147.8 | 22.5 | 0 | 0 | 0 | 114.3 | Q512 L517 S518 | Q512-D515 PolarHBondContact O-N 2.88Å; Q512-D515 VanDerWaalsContact O-N 3.09Å; D515-L517 VanDerWaalsContact C-N 3.29Å; D515-L517 PolarHBondContact O-N 2.82Å; D515-S518 WeakPolarHBondContact CA-OG 3.22Å; D515-S518 PolarHBondContact O-OG 2.82Å; D515-S518 PolarHBondContact OD1-OG 3.07Å |
| 516 | L | 52.1 | Low | 52.5 | Low | 26 Ų | 26 | 96 Ų | 96 | 14% | 0.136 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 174.9 | -168.9 | 72.5 | 0 | 0 | 0 | 111.2 | N519 V544 F546 Y553 | L516-N519 WeakPolarHBondContact O-CB 3.31Å; L516-N519 PolarHBondContact O-N 2.84Å; L516-V544 HydrophobicContact CD2-CB 4.37Å; L516-V544 HydrophobicContact CD2-CG2 4.13Å; L516-F546 HydrophobicContact CD1-CE2 4.07Å; L516-F546 HydrophobicContact CD1-CZ 3.61Å; L516-F546 HydrophobicContact CG-CZ 4.12Å; L516-Y553 HydrophobicContact CD2-CE1 4.2Å |
| 517 | L | 56.6 | Low | 55.8 | Low | 39 Ų | 39 | 95.2 Ų | 95.2 | 20% | 0.204 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -82.4 | -18.6 | -173.4 | -68 | 174.2 | 0 | 0 | 0 | 114.3 | D515 K525 L542 V544 | D515-L517 VanDerWaalsContact C-N 3.29Å; D515-L517 PolarHBondContact O-N 2.82Å; L517-K525 HydrophobicContact CD2-CD 3.94Å; L517-K525 PolarHBondContact O-NZ 2.8Å; L517-L542 HydrophobicContact CD1-CD2 3.93Å; L517-L542 HydrophobicContact CD2-CD2 3.64Å; L517-L542 HydrophobicContact CG-CD2 4.29Å; L517-V544 HydrophobicContact CD2-CG2 3.88Å |
| 518 | S | 58 | Low | 59.2 | Low | 77 Ų | 77 | 87.9 Ų | 87.9 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -4.9 | 173.3 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | N514 D515 | N514-S518 PolarHBondContact O-OG 3.3Å; D515-S518 WeakPolarHBondContact CA-OG 3.22Å; D515-S518 PolarHBondContact O-OG 2.82Å; D515-S518 PolarHBondContact OD1-OG 3.07Å |
| 519 | N | 60.7 | Low | 62.5 | Low | 48 Ų | 48 | 81.1 Ų | 81.1 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | trans | -65.6 | 122 | -177.8 | -174.2 | -34.7 | 0 | 0 | 0 | 110.5 | L516 D521 V522 F546 | L516-N519 WeakPolarHBondContact O-CB 3.31Å; L516-N519 PolarHBondContact O-N 2.84Å; N519-D521 PolarHBondContact O-N 3.24Å; N519-D521 VanDerWaalsContact O-N 3.13Å; N519-D521 VanDerWaalsContact OD1-CB 3.31Å; N519-D521 WeakPolarHBondContact OD1-CB 3.39Å; N519-D521 PolarHBondContact OD1-N 3.3Å; N519-V522 HydrophobicContact CB-CG2 4.04Å; N519-V522 WeakPolarHBondContact O-CB 3.27Å; N519-V522 VanDerWaalsContact O-CG2 3.24Å; N519-V522 WeakPolarHBondContact O-CG2 3.29Å; N519-V522 PolarHBondContact O-N 3.13Å; N519-V522 VanDerWaalsContact O-N 3.13Å; N519-F546 HydrophobicContact CB-CE1 4.23Å | ||
| 520 | P | 66.6 | Low | 65.7 | Low | 121 Ų | 121 | 77 Ų | 77 | 79% | 0.786 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.2 | -176.8 | 27.5 | -35.9 | 0 | 0 | 0 | 113.6 | V522 | P520-V522 VanDerWaalsContact C-N 3.28Å; P520-V522 PolarHBondContact O-N 2.98Å |
| 521 | D | 73.8 | Confident | 68.7 | Low | 99 Ų | 99 | 75.3 Ų | 75.3 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -6.3 | 178.2 | -62.9 | -31.8 | 0 | 0 | 0 | 113.2 | N519 Q523 F546 | N519-D521 PolarHBondContact O-N 3.24Å; N519-D521 VanDerWaalsContact O-N 3.13Å; N519-D521 VanDerWaalsContact OD1-CB 3.31Å; N519-D521 WeakPolarHBondContact OD1-CB 3.39Å; N519-D521 PolarHBondContact OD1-N 3.3Å; D521-Q523 PolarHBondContact O-N 3.23Å; D521-Q523 VanDerWaalsContact O-N 3.14Å; D521-Q523 PolarHBondContact O-NE2 2.86Å; D521-F546 HydrophobicContact CB-CD1 4.2Å |
| 522 | V | 80.1 | Confident | 71.2 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | trans | -63.6 | 114.4 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | N519 P520 K525 V544 F546 | N519-V522 HydrophobicContact CB-CG2 4.04Å; N519-V522 WeakPolarHBondContact O-CB 3.27Å; N519-V522 VanDerWaalsContact O-CG2 3.24Å; N519-V522 WeakPolarHBondContact O-CG2 3.29Å; N519-V522 PolarHBondContact O-N 3.13Å; N519-V522 VanDerWaalsContact O-N 3.13Å; P520-V522 VanDerWaalsContact C-N 3.28Å; P520-V522 PolarHBondContact O-N 2.98Å; V522-K525 HydrophobicContact CG1-CB 4.28Å; V522-V544 HydrophobicContact CB-CG1 4.32Å; V522-V544 HydrophobicContact CG1-CG1 3.74Å; V522-V544 HydrophobicContact CG2-CG1 3.6Å; V522-F546 HydrophobicContact CG2-CD1 4.29Å; V522-F546 HydrophobicContact CG2-CE1 3.56Å; V522-F546 HydrophobicContact CG2-CZ 3.82Å | ||
| 523 | Q | 87 | Confident | 73.1 | Confident | 108 Ų | 108 | 72.3 Ų | 72.3 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | trans | -81.9 | -36.5 | 178.3 | -58.2 | -58.2 | -63.5 | 0 | 0 | 111.4 | D521 L545 L957 | D521-Q523 PolarHBondContact O-N 3.23Å; D521-Q523 VanDerWaalsContact O-N 3.14Å; D521-Q523 PolarHBondContact O-NE2 2.86Å; Q523-L545 WeakPolarHBondContact CB-O 3.29Å; Q523-L545 PolarHBondContact N-O 3.01Å; Q523-L957 HydrophobicContact CB-CD1 3.71Å; Q523-L957 HydrophobicContact CG-CD1 3.78Å; Q523-L957 HydrophobicContact CG-CD2 4.28Å | ||
| 524 | K | 90.4 | Very high | 74.7 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 17% | 0.17 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 147.7 | -179.3 | -166.1 | 178.7 | -169.5 | 73.4 | 0 | 110.5 | L545 D949 W950 | K524-L545 HydrophobicContact CB-CB 3.98Å; K524-L545 HydrophobicContact CB-CD2 4.08Å; K524-L545 PolarHBondContact N-O 2.89Å; K524-L545 PolarHBondContact O-N 2.72Å; K524-D949 IonicContact NZ-OD1 3.78Å; K524-D949 PolarHBondContact NZ-OD1 2.81Å; K524-D949 IonicContact NZ-OD2 3.48Å; K524-D949 PolarHBondContact NZ-OD2 3.28Å; K524-W950 HydrophobicContact CB-CH2 4.5Å; K524-W950 HydrophobicContact CD-CD2 3.87Å; K524-W950 HydrophobicContact CD-CE3 3.9Å; K524-W950 HydrophobicContact CD-CG 4.45Å; K524-W950 HydrophobicContact CD-CH2 4.25Å; K524-W950 HydrophobicContact CD-CZ2 4.21Å; K524-W950 HydrophobicContact CD-CZ3 4.1Å; K524-W950 HydrophobicContact CG-CH2 4.15Å; K524-W950 HydrophobicContact CG-CZ2 4.17Å; K524-W950 HydrophobicContact CG-CZ3 4.39Å |
| 525 | K | 89.2 | Confident | 75.7 | Confident | 115 Ų | 115 | 71.8 Ų | 71.8 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151.5 | 171.1 | 60.1 | -179.2 | 171.9 | -170.1 | 0 | 111.1 | L517 V522 F543 | L517-K525 HydrophobicContact CD2-CD 3.94Å; L517-K525 PolarHBondContact O-NZ 2.8Å; V522-K525 HydrophobicContact CG1-CB 4.28Å; K525-F543 VanDerWaalsContact CA-O 3.25Å; K525-F543 WeakPolarHBondContact CA-O 3.49Å |
| 526 | G | 89.5 | Confident | 76.6 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | 160.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F543 | G526-F543 PolarHBondContact N-O 3.19Å; G526-F543 PolarHBondContact O-N 2.79Å |
| 527 | V | 90.9 | Very high | 78 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 30% | 0.297 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.3 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | P540 H541 L542 | V527-P540 HydrophobicContact CG1-CB 3.78Å; V527-H541 WeakPolarHBondContact CA-O 3.19Å; V527-L542 HydrophobicContact CG2-CD1 4.01Å |
| 528 | L | 93.3 | Very high | 79.4 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.016 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 157.8 | 168.5 | -57.6 | 172.4 | 0 | 0 | 0 | 109 | H541 F543 V939 A941 W950 | L528-H541 PolarHBondContact N-O 3.44Å; L528-H541 PolarHBondContact O-N 2.82Å; L528-F543 HydrophobicContact CB-CD2 3.56Å; L528-F543 HydrophobicContact CB-CE2 3.66Å; L528-F543 HydrophobicContact CB-CG 4.39Å; L528-F543 HydrophobicContact CD1-CB 4.3Å; L528-F543 HydrophobicContact CD1-CD1 4.38Å; L528-F543 HydrophobicContact CD1-CD2 3.95Å; L528-F543 HydrophobicContact CD1-CE2 4.39Å; L528-F543 HydrophobicContact CD1-CG 3.95Å; L528-F543 HydrophobicContact CG-CD2 3.97Å; L528-F543 HydrophobicContact CG-CE2 4.47Å; L528-F543 HydrophobicContact CG-CG 4.37Å; L528-V939 HydrophobicContact CB-CB 4.26Å; L528-V939 HydrophobicContact CD1-CB 4.35Å; L528-V939 HydrophobicContact CD1-CG2 4.02Å; L528-A941 HydrophobicContact CD2-CB 3.85Å; L528-W950 HydrophobicContact CD1-CD2 3.95Å; L528-W950 HydrophobicContact CD1-CE3 4.3Å; L528-W950 HydrophobicContact CD1-CG 4.23Å; L528-W950 HydrophobicContact CD1-CZ2 4.44Å; L528-W950 HydrophobicContact CD2-CG 4.31Å |
| 529 | Y | 92.8 | Very high | 80.7 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 26% | 0.255 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119.7 | 178.4 | -65.3 | -106 | 0 | 0 | 0 | 108.7 | W538 Q539 P540 K919 V939 A940 N942 | Y529-W538 VanDerWaalsContact O-CZ3 3.23Å; Y529-W538 WeakPolarHBondContact O-CZ3 3.49Å; Y529-Q539 CarbonylContact C-O 3.47Å; Y529-Q539 WeakPolarHBondContact CA-O 3.5Å; Y529-P540 HydrophobicContact CD1-CB 4.26Å; Y529-P540 HydrophobicContact CE1-CB 4.08Å; Y529-K919 VanDerWaalsContact CE2-NZ 3.27Å; Y529-V939 CarbonylContact O-C 3.36Å; Y529-V939 WeakPolarHBondContact O-CA 3.26Å; Y529-A940 PolarHBondContact N-O 2.74Å; Y529-A940 PolarHBondContact O-N 3.33Å; Y529-N942 WeakPolarHBondContact CE2-OD1 3.28Å |
| 530 | L | 92.1 | Very high | 82.1 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 135 | 176.1 | -175.9 | 66.2 | 0 | 0 | 0 | 109.5 | W538 Q539 Y552 I937 V939 | L530-W538 WeakPolarHBondContact O-CA 3.45Å; L530-Q539 PolarHBondContact N-O 2.91Å; L530-Q539 PolarHBondContact O-N 3.08Å; L530-Y552 HydrophobicContact CD2-CD2 4.42Å; L530-Y552 HydrophobicContact CD2-CE2 4.04Å; L530-I937 HydrophobicContact CD1-CB 3.75Å; L530-I937 HydrophobicContact CD1-CD1 4.44Å; L530-I937 HydrophobicContact CD1-CG2 4.11Å; L530-V939 HydrophobicContact CD1-CG1 3.77Å |
| 531 | K | 88.3 | Confident | 83.3 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 126 | 172.6 | -170.2 | 178.2 | -175.4 | 175.1 | 0 | 109.8 | W538 S917 I938 | K531-W538 HydrophobicContact CB-CD2 4.23Å; K531-W538 HydrophobicContact CB-CE3 3.99Å; K531-W538 HydrophobicContact CB-CH2 3.95Å; K531-W538 HydrophobicContact CB-CZ2 4.15Å; K531-W538 HydrophobicContact CB-CZ3 3.83Å; K531-W538 HydrophobicContact CD-CH2 4.41Å; K531-W538 HydrophobicContact CD-CZ2 4.07Å; K531-W538 HydrophobicContact CG-CZ2 4.24Å; K531-S917 PolarHBondContact NZ-OG 3.09Å; K531-I938 HydrophobicContact CB-CB 4.19Å; K531-I938 HydrophobicContact CB-CG2 4.43Å; K531-I938 HydrophobicContact CD-CG2 4.44Å; K531-I938 PolarHBondContact N-O 3.06Å |
| 532 | E | 80.6 | Confident | 83.9 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 144.7 | 175 | -76 | -172.5 | 147.3 | 0 | 0 | 111.4 | D534 A535 A537 Q539 | E532-D534 VanDerWaalsContact C-N 3.27Å; E532-D534 PolarHBondContact O-N 2.67Å; E532-A535 HydrophobicContact CB-CB 4.39Å; E532-A537 PolarHBondContact N-O 3.46Å; E532-A537 VanDerWaalsContact N-O 3.17Å; E532-Q539 PolarHBondContact OE1-NE2 2.94Å; E532-Q539 PolarHBondContact OE1-OE1 2.82Å; E532-Q539 PolarHBondContact OE2-NE2 3.25Å |
| 533 | K | 69.8 | Low | 84.5 | Confident | 195 Ų | 195 | 62.7 Ų | 62.7 | 85% | 0.848 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -63.6 | -31.1 | -175.6 | -69.6 | -176 | 178.6 | 178.3 | 0 | 113.3 | ||
| 534 | D | 65.8 | Low | 84.6 | Confident | 168 Ų | 168 | 57.6 Ų | 57.6 | 90% | 0.898 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -113.7 | -1.7 | -171.6 | -60.8 | -41.3 | 0 | 0 | 0 | 114.3 | E532 | E532-D534 VanDerWaalsContact C-N 3.27Å; E532-D534 PolarHBondContact O-N 2.67Å |
| 535 | A | 62.2 | Low | 84.6 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -135.6 | 145.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | E532 A537 | E532-A535 HydrophobicContact CB-CB 4.39Å; A535-A537 HydrophobicContact CB-CB 3.85Å; A535-A537 PolarHBondContact O-N 2.72Å |
| 536 | E | 69.2 | Low | 84.5 | Confident | 147 Ų | 147 | 50.3 Ų | 50.3 | 69% | 0.687 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -70 | 19.4 | 164.1 | -71.9 | -145.6 | 140.9 | 0 | 0 | 112.9 | ||
| 537 | A | 80.4 | Confident | 84.3 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | trans | -80.8 | 139.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E532 A535 | E532-A537 PolarHBondContact N-O 3.46Å; E532-A537 VanDerWaalsContact N-O 3.17Å; A535-A537 HydrophobicContact CB-CB 3.85Å; A535-A537 PolarHBondContact O-N 2.72Å | ||
| 538 | W | 86.6 | Confident | 83.8 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.5 | 177.7 | -71.7 | 86.8 | 0 | 0 | 0 | 109.1 | Y529 L530 K531 S917 S918 K919 S922 I938 A940 | Y529-W538 VanDerWaalsContact O-CZ3 3.23Å; Y529-W538 WeakPolarHBondContact O-CZ3 3.49Å; L530-W538 WeakPolarHBondContact O-CA 3.45Å; K531-W538 HydrophobicContact CB-CD2 4.23Å; K531-W538 HydrophobicContact CB-CE3 3.99Å; K531-W538 HydrophobicContact CB-CH2 3.95Å; K531-W538 HydrophobicContact CB-CZ2 4.15Å; K531-W538 HydrophobicContact CB-CZ3 3.83Å; K531-W538 HydrophobicContact CD-CH2 4.41Å; K531-W538 HydrophobicContact CD-CZ2 4.07Å; K531-W538 HydrophobicContact CG-CZ2 4.24Å; W538-S917 WeakPolarHBondContact CZ2-OG 3.46Å; W538-S918 PolarHBondContact NE1-OG 3.4Å; W538-K919 HydrophobicContact CB-CD 4.36Å; W538-K919 HydrophobicContact CD2-CB 3.89Å; W538-K919 HydrophobicContact CD2-CD 3.96Å; W538-K919 HydrophobicContact CE3-CB 4.43Å; W538-K919 HydrophobicContact CE3-CD 4.23Å; W538-K919 HydrophobicContact CG-CB 4.36Å; W538-K919 HydrophobicContact CG-CD 4.03Å; W538-K919 HydrophobicContact CH2-CB 4.07Å; W538-K919 HydrophobicContact CZ2-CB 3.48Å; W538-K919 VanDerWaalsContact CZ2-CB 3.48Å; W538-S922 WeakPolarHBondContact CH2-OG 3.45Å; W538-I938 HydrophobicContact CH2-CG2 3.91Å; W538-I938 HydrophobicContact CZ3-CG2 4.5Å; W538-A940 HydrophobicContact CE3-CB 3.98Å; W538-A940 HydrophobicContact CH2-CB 3.81Å; W538-A940 HydrophobicContact CZ3-CB 3.43Å; W538-A940 VanDerWaalsContact CZ3-CB 3.43Å |
| 539 | Q | 86.4 | Confident | 83.5 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.8 | -175.8 | -66.9 | -173.3 | 2.4 | 0 | 0 | 111.8 | Y529 L530 E532 H541 R554 | Y529-Q539 CarbonylContact C-O 3.47Å; Y529-Q539 WeakPolarHBondContact CA-O 3.5Å; L530-Q539 PolarHBondContact N-O 2.91Å; L530-Q539 PolarHBondContact O-N 3.08Å; E532-Q539 PolarHBondContact OE1-NE2 2.94Å; E532-Q539 PolarHBondContact OE1-OE1 2.82Å; E532-Q539 PolarHBondContact OE2-NE2 3.25Å; Q539-H541 PolarHBondContact O-N 3.18Å; Q539-H541 PolarHBondContact O-ND1 3.31Å; Q539-R554 VanDerWaalsContact CD-CZ 3.48Å |
| 540 | P | 90 | Very high | 83.4 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 127.1 | 178.2 | 29.2 | -33.8 | 0 | 0 | 0 | 110.4 | V527 Y529 C555 | V527-P540 HydrophobicContact CG1-CB 3.78Å; Y529-P540 HydrophobicContact CD1-CB 4.26Å; Y529-P540 HydrophobicContact CE1-CB 4.08Å; P540-C555 HydrophobicContact CB-CB 4.5Å; P540-C555 HydrophobicContact CG-CB 4.46Å; P540-C555 PolarHBondContact O-N 3.48Å; P540-C555 VanDerWaalsContact O-N 3.14Å |
| 541 | H | 90 | Very high | 83.3 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.4 | 173.7 | -71.6 | 67 | 0 | 0 | 0 | 108.3 | V527 L528 Q539 F543 Y553 R554 | V527-H541 WeakPolarHBondContact CA-O 3.19Å; L528-H541 PolarHBondContact N-O 3.44Å; L528-H541 PolarHBondContact O-N 2.82Å; Q539-H541 PolarHBondContact O-N 3.18Å; Q539-H541 PolarHBondContact O-ND1 3.31Å; H541-F543 HydrophobicContact CB-CD2 4.18Å; H541-F543 HydrophobicContact CB-CE2 3.64Å; H541-F543 HydrophobicContact CB-CZ 4.4Å; H541-F543 WeakPolarHBondContact O-CD2 3.4Å; H541-Y553 CarbonylContact C-O 3.59Å; H541-Y553 WeakPolarHBondContact CA-O 3.48Å; H541-Y553 WeakPolarHBondContact CB-O 3.32Å; H541-Y553 VanDerWaalsContact CD2-C 3.45Å; H541-R554 VanDerWaalsContact CD2-CA 3.43Å; H541-R554 WeakPolarHBondContact CD2-CA 3.27Å; H541-R554 PolarHBondContact CD2-N 3.2Å |
| 542 | L | 88 | Confident | 83.3 | Confident | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.4 | 171 | -174.3 | 64.3 | 0 | 0 | 0 | 108.4 | L517 V527 V544 Y552 Y553 | L517-L542 HydrophobicContact CD1-CD2 3.93Å; L517-L542 HydrophobicContact CD2-CD2 3.64Å; L517-L542 HydrophobicContact CG-CD2 4.29Å; V527-L542 HydrophobicContact CG2-CD1 4.01Å; L542-V544 HydrophobicContact CG-CG2 4.37Å; L542-Y552 WeakPolarHBondContact O-CA 3.4Å; L542-Y553 HydrophobicContact CB-CE1 4.15Å; L542-Y553 HydrophobicContact CB-CE2 4.32Å; L542-Y553 HydrophobicContact CD2-CE1 3.96Å; L542-Y553 HydrophobicContact CD2-CE2 4.34Å; L542-Y553 WeakPolarHBondContact CD2-OH 3.25Å; L542-Y553 HydrophobicContact CG-CE1 4.34Å; L542-Y553 PolarHBondContact N-O 3.22Å; L542-Y553 PolarHBondContact O-N 3.28Å |
| 543 | F | 92.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.1 | 174.6 | -75.8 | -101.8 | 0 | 0 | 0 | 109.6 | K525 G526 L528 H541 L550 C551 Y552 I937 V939 W950 | K525-F543 VanDerWaalsContact CA-O 3.25Å; K525-F543 WeakPolarHBondContact CA-O 3.49Å; G526-F543 PolarHBondContact N-O 3.19Å; G526-F543 PolarHBondContact O-N 2.79Å; L528-F543 HydrophobicContact CB-CD2 3.56Å; L528-F543 HydrophobicContact CB-CE2 3.66Å; L528-F543 HydrophobicContact CB-CG 4.39Å; L528-F543 HydrophobicContact CD1-CB 4.3Å; L528-F543 HydrophobicContact CD1-CD1 4.38Å; L528-F543 HydrophobicContact CD1-CD2 3.95Å; L528-F543 HydrophobicContact CD1-CE2 4.39Å; L528-F543 HydrophobicContact CD1-CG 3.95Å; L528-F543 HydrophobicContact CG-CD2 3.97Å; L528-F543 HydrophobicContact CG-CE2 4.47Å; L528-F543 HydrophobicContact CG-CG 4.37Å; H541-F543 HydrophobicContact CB-CD2 4.18Å; H541-F543 HydrophobicContact CB-CE2 3.64Å; H541-F543 HydrophobicContact CB-CZ 4.4Å; H541-F543 WeakPolarHBondContact O-CD2 3.4Å; F543-L550 HydrophobicContact CB-CD1 4.3Å; F543-L550 HydrophobicContact CD1-CD1 3.98Å; F543-L550 HydrophobicContact CD1-CD2 3.96Å; F543-L550 HydrophobicContact CD1-CG 4.05Å; F543-L550 HydrophobicContact CE1-CD2 4.3Å; F543-C551 WeakPolarHBondContact CA-O 3.45Å; F543-Y552 VanDerWaalsContact CD1-CB 3.46Å; F543-Y552 HydrophobicContact CD1-CD1 4.01Å; F543-Y552 AromaticContact CD1-CG 3.95Å; F543-Y552 HydrophobicContact CD1-CG 3.95Å; F543-Y552 VanDerWaalsContact CE1-CB 3.44Å; F543-Y552 AromaticContact CE1-CD1 3.52Å; F543-Y552 HydrophobicContact CE1-CD1 3.52Å; F543-Y552 HydrophobicContact CE1-CD2 4.16Å; F543-Y552 HydrophobicContact CE1-CE1 4.31Å; F543-Y552 AromaticContact CE1-CG 3.43Å; F543-Y552 HydrophobicContact CE1-CG 3.43Å; F543-Y552 VanDerWaalsContact CE1-CG 3.43Å; F543-Y552 HydrophobicContact CZ-CD1 4.24Å; F543-Y552 HydrophobicContact CZ-CD2 4.05Å; F543-Y552 AromaticContact CZ-CG 3.75Å; F543-Y552 HydrophobicContact CZ-CG 3.75Å; F543-I937 HydrophobicContact CE1-CD1 3.84Å; F543-I937 HydrophobicContact CZ-CD1 4.29Å; F543-V939 HydrophobicContact CE1-CG1 3.95Å; F543-V939 HydrophobicContact CE2-CG1 4.1Å; F543-V939 HydrophobicContact CZ-CB 4.45Å; F543-V939 HydrophobicContact CZ-CG1 3.41Å; F543-V939 VanDerWaalsContact CZ-CG1 3.41Å; F543-W950 HydrophobicContact CB-CH2 3.68Å; F543-W950 HydrophobicContact CB-CZ2 4.22Å; F543-W950 HydrophobicContact CB-CZ3 4.21Å |
| 544 | V | 87.9 | Confident | 84 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 112.1 | 178.9 | -172.2 | 0 | 0 | 0 | 0 | 108.1 | L516 L517 V522 L542 F546 C551 | L516-V544 HydrophobicContact CD2-CB 4.37Å; L516-V544 HydrophobicContact CD2-CG2 4.13Å; L517-V544 HydrophobicContact CD2-CG2 3.88Å; V522-V544 HydrophobicContact CB-CG1 4.32Å; V522-V544 HydrophobicContact CG1-CG1 3.74Å; V522-V544 HydrophobicContact CG2-CG1 3.6Å; L542-V544 HydrophobicContact CG-CG2 4.37Å; V544-F546 HydrophobicContact CB-CE2 4.19Å; V544-F546 HydrophobicContact CG1-CD2 4.41Å; V544-F546 HydrophobicContact CG1-CE2 3.64Å; V544-F546 HydrophobicContact CG1-CZ 3.74Å; V544-C551 PolarHBondContact N-O 3.49Å; V544-C551 PolarHBondContact O-N 3.26Å |
| 545 | L | 91.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.6 | -177.3 | -174.2 | 62.1 | 0 | 0 | 0 | 109.8 | Q523 K524 L550 L907 W950 I954 L957 | Q523-L545 WeakPolarHBondContact CB-O 3.29Å; Q523-L545 PolarHBondContact N-O 3.01Å; K524-L545 HydrophobicContact CB-CB 3.98Å; K524-L545 HydrophobicContact CB-CD2 4.08Å; K524-L545 PolarHBondContact N-O 2.89Å; K524-L545 PolarHBondContact O-N 2.72Å; L545-L550 HydrophobicContact CB-CD1 4.06Å; L545-L550 HydrophobicContact CD1-CB 4.16Å; L545-L550 HydrophobicContact CD1-CD1 3.9Å; L545-L907 HydrophobicContact CD1-CD1 3.7Å; L545-L907 HydrophobicContact CD1-CD2 4.11Å; L545-L907 HydrophobicContact CD1-CG 4.41Å; L545-W950 HydrophobicContact CB-CZ3 4.02Å; L545-W950 HydrophobicContact CD2-CZ3 4.3Å; L545-I954 HydrophobicContact CD1-CG1 4.22Å; L545-I954 HydrophobicContact CD2-CG1 4.11Å; L545-L957 HydrophobicContact CD1-CD1 4.29Å; L545-L957 HydrophobicContact CD2-CD1 3.62Å; L545-L957 HydrophobicContact CG-CD1 3.67Å |
| 546 | F | 86.9 | Confident | 84 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | trans | -103.3 | 173.7 | 171.5 | -63.1 | -88.6 | 0 | 0 | 0 | 109.9 | L516 N519 D521 V522 V544 D548 R549 C551 L907 | L516-F546 HydrophobicContact CD1-CE2 4.07Å; L516-F546 HydrophobicContact CD1-CZ 3.61Å; L516-F546 HydrophobicContact CG-CZ 4.12Å; N519-F546 HydrophobicContact CB-CE1 4.23Å; D521-F546 HydrophobicContact CB-CD1 4.2Å; V522-F546 HydrophobicContact CG2-CD1 4.29Å; V522-F546 HydrophobicContact CG2-CE1 3.56Å; V522-F546 HydrophobicContact CG2-CZ 3.82Å; V544-F546 HydrophobicContact CB-CE2 4.19Å; V544-F546 HydrophobicContact CG1-CD2 4.41Å; V544-F546 HydrophobicContact CG1-CE2 3.64Å; V544-F546 HydrophobicContact CG1-CZ 3.74Å; F546-D548 PolarHBondContact O-N 3.11Å; F546-R549 WeakPolarHBondContact CA-O 3.45Å; F546-R549 HydrophobicContact CB-CG 3.98Å; F546-R549 WeakPolarHBondContact CB-O 3.49Å; F546-R549 HydrophobicContact CD2-CG 3.9Å; F546-R549 HydrophobicContact CG-CG 4.23Å; F546-R549 PolarHBondContact N-O 2.79Å; F546-C551 HydrophobicContact CE2-CB 4.29Å; F546-L907 VanDerWaalsContact O-CD1 3.27Å; F546-L907 WeakPolarHBondContact O-CD1 3.48Å | ||
| 547 | S | 85.4 | Confident | 82.8 | Confident | 47 Ų | 47 | 39.6 Ų | 39.6 | 33% | 0.329 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -66.4 | -15.5 | 178.5 | 69.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 548 | D | 81.1 | Confident | 80.9 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -131.5 | -12.4 | -174.3 | 68.4 | -20.8 | 0 | 0 | 0 | 115 | F546 L907 | F546-D548 PolarHBondContact O-N 3.11Å; D548-L907 WeakPolarHBondContact O-CB 3.49Å; D548-L907 PolarHBondContact O-N 3.31Å |
| 549 | R | 87.1 | Confident | 78.4 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 156.5 | -177 | 68 | -171.9 | 175.8 | -88 | 2.7 | 112.5 | F546 T904 L905 | F546-R549 WeakPolarHBondContact CA-O 3.45Å; F546-R549 HydrophobicContact CB-CG 3.98Å; F546-R549 WeakPolarHBondContact CB-O 3.49Å; F546-R549 HydrophobicContact CD2-CG 3.9Å; F546-R549 HydrophobicContact CG-CG 4.23Å; F546-R549 PolarHBondContact N-O 2.79Å; R549-T904 HydrophobicContact CB-CG2 3.99Å; R549-T904 HydrophobicContact CG-CG2 4.29Å; R549-L905 CarbonylContact C-O 3.49Å; R549-L905 VanDerWaalsContact CA-O 3.26Å; R549-L905 WeakPolarHBondContact CA-O 3.38Å; R549-L905 WeakPolarHBondContact CB-O 3.39Å |
| 550 | L | 90.5 | Very high | 75.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.8 | 169.1 | 177.7 | 66.2 | 0 | 0 | 0 | 108.5 | F543 L545 T904 L905 L907 I925 W950 I954 | F543-L550 HydrophobicContact CB-CD1 4.3Å; F543-L550 HydrophobicContact CD1-CD1 3.98Å; F543-L550 HydrophobicContact CD1-CD2 3.96Å; F543-L550 HydrophobicContact CD1-CG 4.05Å; F543-L550 HydrophobicContact CE1-CD2 4.3Å; L545-L550 HydrophobicContact CB-CD1 4.06Å; L545-L550 HydrophobicContact CD1-CB 4.16Å; L545-L550 HydrophobicContact CD1-CD1 3.9Å; L550-T904 CarbonylContact O-C 3.55Å; L550-T904 WeakPolarHBondContact O-CA 3.46Å; L550-L905 PolarHBondContact N-O 2.72Å; L550-L905 PolarHBondContact O-N 2.9Å; L550-L907 HydrophobicContact CB-CD2 4.43Å; L550-I925 HydrophobicContact CD2-CD1 3.87Å; L550-I925 HydrophobicContact CD2-CG2 4.47Å; L550-W950 HydrophobicContact CD1-CZ3 4.15Å; L550-I954 HydrophobicContact CD2-CD1 4.49Å |
| 551 | C | 88.9 | Confident | 73.2 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147 | 174.4 | -59.7 | 0 | 0 | 0 | 0 | 110.2 | F543 V544 F546 V902 E903 | F543-C551 WeakPolarHBondContact CA-O 3.45Å; V544-C551 PolarHBondContact N-O 3.49Å; V544-C551 PolarHBondContact O-N 3.26Å; F546-C551 HydrophobicContact CE2-CB 4.29Å; C551-V902 HydrophobicContact CB-CG1 3.98Å; C551-E903 CarbonylContact C-O 3.59Å; C551-E903 VanDerWaalsContact CA-O 3.26Å; C551-E903 WeakPolarHBondContact CA-O 3.43Å |
| 552 | Y | 88 | Confident | 70.4 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 152.5 | 173 | 58.6 | -84.7 | 0 | 0 | 0 | 113 | L530 L542 F543 E903 L905 I937 | L530-Y552 HydrophobicContact CD2-CD2 4.42Å; L530-Y552 HydrophobicContact CD2-CE2 4.04Å; L542-Y552 WeakPolarHBondContact O-CA 3.4Å; F543-Y552 VanDerWaalsContact CD1-CB 3.46Å; F543-Y552 HydrophobicContact CD1-CD1 4.01Å; F543-Y552 AromaticContact CD1-CG 3.95Å; F543-Y552 HydrophobicContact CD1-CG 3.95Å; F543-Y552 VanDerWaalsContact CE1-CB 3.44Å; F543-Y552 AromaticContact CE1-CD1 3.52Å; F543-Y552 HydrophobicContact CE1-CD1 3.52Å; F543-Y552 HydrophobicContact CE1-CD2 4.16Å; F543-Y552 HydrophobicContact CE1-CE1 4.31Å; F543-Y552 AromaticContact CE1-CG 3.43Å; F543-Y552 HydrophobicContact CE1-CG 3.43Å; F543-Y552 VanDerWaalsContact CE1-CG 3.43Å; F543-Y552 HydrophobicContact CZ-CD1 4.24Å; F543-Y552 HydrophobicContact CZ-CD2 4.05Å; F543-Y552 AromaticContact CZ-CG 3.75Å; F543-Y552 HydrophobicContact CZ-CG 3.75Å; Y552-E903 HydrophobicContact CD1-CB 4.37Å; Y552-E903 HydrophobicContact CD2-CB 4.05Å; Y552-E903 HydrophobicContact CE1-CB 3.9Å; Y552-E903 HydrophobicContact CE2-CB 3.52Å; Y552-E903 HydrophobicContact CE2-CG 4.05Å; Y552-E903 WeakPolarHBondContact CE2-OE2 3.45Å; Y552-E903 HydrophobicContact CG-CB 4.43Å; Y552-E903 VanDerWaalsContact CZ-CB 3.43Å; Y552-E903 PolarHBondContact N-O 3.23Å; Y552-E903 PolarHBondContact O-N 3.07Å; Y552-E903 PolarHBondContact OH-OE2 3.03Å; Y552-L905 HydrophobicContact CE1-CD1 4.02Å; Y552-L905 HydrophobicContact CE1-CG 4.16Å; Y552-I937 HydrophobicContact CD1-CD1 4.33Å; Y552-I937 HydrophobicContact CE1-CD1 3.8Å |
| 553 | Y | 83.2 | Confident | 67.6 | Low | 24 Ų | 24 | 72 Ų | 72 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 156.7 | 178.9 | 60.1 | -85 | 0 | 0 | 0 | 110.9 | L516 H541 L542 V900 V902 | L516-Y553 HydrophobicContact CD2-CE1 4.2Å; H541-Y553 CarbonylContact C-O 3.59Å; H541-Y553 WeakPolarHBondContact CA-O 3.48Å; H541-Y553 WeakPolarHBondContact CB-O 3.32Å; H541-Y553 VanDerWaalsContact CD2-C 3.45Å; L542-Y553 HydrophobicContact CB-CE1 4.15Å; L542-Y553 HydrophobicContact CB-CE2 4.32Å; L542-Y553 HydrophobicContact CD2-CE1 3.96Å; L542-Y553 HydrophobicContact CD2-CE2 4.34Å; L542-Y553 WeakPolarHBondContact CD2-OH 3.25Å; L542-Y553 HydrophobicContact CG-CE1 4.34Å; L542-Y553 PolarHBondContact N-O 3.22Å; L542-Y553 PolarHBondContact O-N 3.28Å; Y553-V900 HydrophobicContact CD2-CG1 3.83Å; Y553-V900 HydrophobicContact CG-CG1 4.12Å; Y553-V902 HydrophobicContact CD1-CG2 4.35Å; Y553-V902 HydrophobicContact CG-CG2 4.5Å |
| 554 | R | 82.3 | Confident | 64.6 | Low | 137 Ų | 137 | 78.2 Ų | 78.2 | 52% | 0.517 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.7 | -174.3 | -172.4 | 175.6 | 179 | 153.4 | 7.6 | 111.4 | Q539 H541 T556 | Q539-R554 VanDerWaalsContact CD-CZ 3.48Å; H541-R554 VanDerWaalsContact CD2-CA 3.43Å; H541-R554 WeakPolarHBondContact CD2-CA 3.27Å; H541-R554 PolarHBondContact CD2-N 3.2Å; R554-T556 PolarHBondContact O-N 2.75Å |
| 555 | C | 71.3 | Confident | 61.8 | Low | 50 Ų | 50 | 80.9 Ų | 80.9 | 34% | 0.338 | 46% | 0.463 | S | S | . | . | trans | -73.5 | 108.6 | 170.9 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | P540 | P540-C555 HydrophobicContact CB-CB 4.5Å; P540-C555 HydrophobicContact CG-CB 4.46Å; P540-C555 PolarHBondContact O-N 3.48Å; P540-C555 VanDerWaalsContact O-N 3.14Å | ||
| 556 | T | 57.5 | Low | 58.8 | Low | 111 Ų | 111 | 89 Ų | 89 | 68% | 0.681 | 51% | 0.506 | S | S | * | . | trans | -74.8 | 136.3 | 170.8 | 47.9 | 0 | 0 | 0 | 0 | 110 | R554 D558 | R554-T556 PolarHBondContact O-N 2.75Å; T556-D558 PolarHBondContact O-N 3.49Å | ||
| 557 | G | 44.7 | Very low | 55.9 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 89% | 0.887 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -66.1 | 20 | -165.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | G559 | G557-G559 PolarHBondContact O-N 3.02Š|
| 558 | D | 40 | Very low | 53.2 | Low | 157 Ų | 157 | 104 Ų | 104 | 84% | 0.84 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -86.4 | 88.9 | 173.7 | -94.3 | -18.6 | 0 | 0 | 0 | 111.3 | T556 N560 | T556-D558 PolarHBondContact O-N 3.49Å; D558-N560 PolarHBondContact O-N 3.46Å |
| 559 | G | 34.4 | Very low | 50.6 | Low | 72 Ų | 72 | 110 Ų | 110 | 74% | 0.742 | 60% | 0.597 | S | S | * | * | S | Bend | 76.2 | -19.5 | 129.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | G557 V561 | G557-G559 PolarHBondContact O-N 3.02Å; G559-V561 PolarHBondContact O-N 3.02Å | |
| 560 | N | 33.1 | Very low | 47.8 | Very low | 146 Ų | 146 | 112.2 Ų | 112.2 | 78% | 0.781 | 62% | 0.62 | S | S | * | * | trans | -100 | 77.8 | 177.7 | -110.9 | 1.6 | 0 | 0 | 0 | 111.8 | D558 F562 | D558-N560 PolarHBondContact O-N 3.46Å; N560-F562 PolarHBondContact O-N 2.92Å | ||
| 561 | V | 33.3 | Very low | 44.8 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | -59.8 | 97.4 | 166.7 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | G559 R563 | G559-V561 PolarHBondContact O-N 3.02Å; V561-R563 HydrophobicContact CG1-CG 4.47Å; V561-R563 PolarHBondContact O-N 2.99Å | ||
| 562 | F | 31.5 | Very low | 41.7 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | trans | -59.4 | 106.8 | 163.4 | -92.3 | -92.4 | 0 | 0 | 0 | 107.6 | N560 P564 | N560-F562 PolarHBondContact O-N 2.92Å; F562-P564 WeakPolarHBondContact O-CD 3.49Å | ||
| 563 | R | 29.2 | Very low | 38.9 | Very low | 226 Ų | 226 | 134.8 Ų | 134.8 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -78.8 | 119.8 | 170.1 | -75.1 | -176.8 | 174.7 | 177.8 | -1.3 | 108 | V561 | V561-R563 HydrophobicContact CG1-CG 4.47Å; V561-R563 PolarHBondContact O-N 2.99Å | ||
| 564 | P | 29.4 | Very low | 36.2 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -75.9 | 124.6 | 168.6 | 30.1 | -27.7 | 0 | 0 | 0 | 108.2 | F562 | F562-P564 WeakPolarHBondContact O-CD 3.49Š| ||
| 565 | G | 28.5 | Very low | 33.7 | Very low | 56 Ų | 56 | 140.4 Ų | 140.4 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | trans | 148.8 | 62.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 566 | D | 27.8 | Very low | 31.6 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -113.2 | 87.4 | 149.4 | -79.2 | -33.5 | 0 | 0 | 0 | 105.8 | E568 | D566-E568 PolarHBondContact O-N 2.92Å; D566-E568 VanDerWaalsContact O-N 3.13Å | ||
| 567 | E | 27.9 | Very low | 30 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -68.9 | 95.7 | 176.8 | -65.8 | 173.6 | 170.8 | 0 | 0 | 108.8 | Q569 | E567-Q569 PolarHBondContact O-N 2.9Š| ||
| 568 | E | 28.3 | Very low | 29.3 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -73.2 | 105.1 | 162.1 | -81.3 | -168.4 | 164 | 0 | 0 | 109 | D566 T570 | D566-E568 PolarHBondContact O-N 2.92Å; D566-E568 VanDerWaalsContact O-N 3.13Å; E568-T570 PolarHBondContact O-N 3.47Å | ||
| 569 | Q | 25.1 | Very low | 28.6 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -50.2 | 107.3 | 171.1 | -72 | 174.2 | -13.5 | 0 | 0 | 110.5 | E567 | E567-Q569 PolarHBondContact O-N 2.9Š| ||
| 570 | T | 28.6 | Very low | 28.3 | Very low | 132 Ų | 132 | 157.1 Ų | 157.1 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -104.5 | 120.3 | 166.7 | 35.8 | 0 | 0 | 0 | 0 | 109.3 | E568 | E568-T570 PolarHBondContact O-N 3.47Š| ||
| 571 | D | 27.1 | Very low | 28 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -63.7 | 130.4 | -173.9 | -154.9 | -3 | 0 | 0 | 0 | 110.8 | N573 | D571-N573 PolarHBondContact O-N 3.43Š| ||
| 572 | Q | 24.5 | Very low | 27.6 | Very low | 177 Ų | 177 | 162.4 Ų | 162.4 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -78.7 | 114.9 | -179.4 | -67.4 | 174.2 | 2.1 | 0 | 0 | 108.5 | ||||
| 573 | N | 28.5 | Very low | 27.4 | Very low | 142 Ų | 142 | 164.2 Ų | 164.2 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | trans | -128.9 | 108.6 | 158.6 | -143.1 | 3.9 | 0 | 0 | 0 | 110.1 | D571 | D571-N573 PolarHBondContact O-N 3.43Š| ||
| 574 | P | 28.1 | Very low | 27.5 | Very low | 114 Ų | 114 | 158.8 Ų | 158.8 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | trans | -91.8 | 104.9 | -179.4 | 32.9 | -26.5 | 0 | 0 | 0 | 109.7 | ||||
| 575 | E | 29.1 | Very low | 27.4 | Very low | 165 Ų | 165 | 158.7 Ų | 158.7 | 77% | 0.771 | 82% | 0.82 | S | S | * | * | trans | -123.8 | 111.5 | 167.6 | -79.3 | -170.3 | 169.2 | 0 | 0 | 112.1 | ||||
| 576 | E | 27.6 | Very low | 27.3 | Very low | 158 Ų | 158 | 162.3 Ų | 162.3 | 74% | 0.738 | 83% | 0.831 | S | S | * | * | trans | 62.6 | 91.6 | 138 | -58.2 | -165.9 | 161.9 | 0 | 0 | 119.6 | K578 | E576-K578 PolarHBondContact O-N 2.85Š| ||
| 577 | T | 24.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 159.8 Ų | 159.8 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -27 | 114.8 | 139 | 31.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 578 | K | 28.7 | Very low | 27.1 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -118.8 | 109 | 151.1 | -79.4 | -176 | -177.6 | 173.6 | 0 | 109.4 | E576 E580 | E576-K578 PolarHBondContact O-N 2.85Å; K578-E580 PolarHBondContact O-N 3.03Å | ||
| 579 | N | 25.8 | Very low | 27 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -62 | 113.1 | 167.6 | -69.4 | -27.8 | 0 | 0 | 0 | 108.8 | ||||
| 580 | E | 28.5 | Very low | 27.1 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -110.6 | 125.7 | 157.7 | -75.4 | -165.5 | 168.6 | 0 | 0 | 109 | K578 | K578-E580 PolarHBondContact O-N 3.03Š| ||
| 581 | E | 27.3 | Very low | 26.9 | Very low | 188 Ų | 188 | 153 Ų | 153 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -65.7 | 137 | -165.2 | -66 | 172.4 | 146.7 | 0 | 0 | 113 | K583 | E581-K583 PolarHBondContact O-N 3Š| ||
| 582 | E | 24.1 | Very low | 26.8 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -52.6 | 123.9 | 164.1 | -68.1 | 177 | 138.5 | 0 | 0 | 111.1 | ||||
| 583 | K | 28.1 | Very low | 26.8 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -114.4 | 132.9 | 154.1 | -96 | -179.3 | 179.5 | 171 | 0 | 110 | E581 | E581-K583 PolarHBondContact O-N 3Š| ||
| 584 | P | 30.5 | Very low | 26.7 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -75.3 | 162.2 | -168 | 31.2 | -35.5 | 0 | 0 | 0 | 113 | ||||
| 585 | P | 27.8 | Very low | 27 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -80.8 | 128.9 | -161.5 | 29.1 | -26.8 | 0 | 0 | 0 | 112.3 | T587 | P585-T587 PolarHBondContact O-N 2.85Š| ||
| 586 | T | 26.4 | Very low | 27.6 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 105.1 | 171 | 43.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 587 | T | 26.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 136 Ų | 136 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | 22.5 | 103.2 | 142.5 | 55.5 | 0 | 0 | 0 | 0 | 118.5 | P585 D589 | P585-T587 PolarHBondContact O-N 2.85Å; T587-D589 PolarHBondContact O-N 2.81Å | ||
| 588 | S | 24.6 | Very low | 29.5 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 24.5 | 86.3 | 136.5 | 66.7 | 0 | 0 | 0 | 0 | 117.8 | N590 | S588-N590 PolarHBondContact O-N 2.92Š| ||
| 589 | D | 27.1 | Very low | 30.7 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -81.5 | 108.4 | 154.7 | -84.4 | -29.6 | 0 | 0 | 0 | 108.6 | T587 V591 | T587-D589 PolarHBondContact O-N 2.81Å; D589-V591 PolarHBondContact O-N 3.22Å; D589-V591 VanDerWaalsContact O-N 3.13Å | ||
| 590 | N | 26.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 127 Ų | 127 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -53.2 | 116 | 173.1 | -76 | -57.7 | 0 | 0 | 0 | 109.8 | S588 A592 | S588-N590 PolarHBondContact O-N 2.92Å; N590-A592 VanDerWaalsContact C-N 3.25Å; N590-A592 PolarHBondContact O-N 2.86Å | ||
| 591 | V | 24.2 | Very low | 34.6 | Very low | 141 Ų | 141 | 118.5 Ų | 118.5 | 86% | 0.855 | 68% | 0.678 | S | S | * | * | trans | -65.7 | 85.8 | 172 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | D589 V593 | D589-V591 PolarHBondContact O-N 3.22Å; D589-V591 VanDerWaalsContact O-N 3.13Å; V591-V593 PolarHBondContact O-N 2.96Å | ||
| 592 | A | 25.7 | Very low | 36.5 | Very low | 78 Ų | 78 | 112.1 Ų | 112.1 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | trans | -72.2 | 115.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | N590 T594 | N590-A592 VanDerWaalsContact C-N 3.25Å; N590-A592 PolarHBondContact O-N 2.86Å; A592-T594 PolarHBondContact O-N 3.14Å | ||
| 593 | V | 23.9 | Very low | 38.5 | Very low | 139 Ų | 139 | 106.2 Ų | 106.2 | 84% | 0.842 | 63% | 0.626 | S | S | * | * | trans | -50.8 | 105.5 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | V591 S595 | V591-V593 PolarHBondContact O-N 2.96Å; V593-S595 PolarHBondContact O-N 3.12Å; V593-S595 VanDerWaalsContact O-N 3.08Å | ||
| 594 | T | 27.4 | Very low | 41.1 | Very low | 133 Ų | 133 | 99.1 Ų | 99.1 | 82% | 0.816 | 60% | 0.596 | S | S | * | * | trans | -78.1 | 95.4 | -179.9 | 48 | 0 | 0 | 0 | 0 | 110 | A592 | A592-T594 PolarHBondContact O-N 3.14Š| ||
| 595 | S | 34.4 | Very low | 43.4 | Very low | 90 Ų | 90 | 99.9 Ų | 99.9 | 63% | 0.629 | 59% | 0.59 | S | S | * | * | trans | -52.8 | 139.5 | 162.7 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | V593 A597 | V593-S595 PolarHBondContact O-N 3.12Å; V593-S595 VanDerWaalsContact O-N 3.08Å; S595-A597 PolarHBondContact O-N 2.75Å; S595-A597 VanDerWaalsContact O-N 3.14Å | ||
| 596 | N | 40.8 | Very low | 46.3 | Very low | 65 Ų | 65 | 93.8 Ų | 93.8 | 35% | 0.348 | 55% | 0.551 | S | S | . | * | trans | -41.4 | 111.4 | -179.7 | -88.1 | -16.6 | 0 | 0 | 0 | 113.7 | D598 E599 K973 | N596-D598 PolarHBondContact O-N 3.1Å; N596-E599 HydrophobicContact CB-CB 4.46Å; N596-E599 PolarHBondContact ND2-OE2 2.76Å; N596-E599 VanDerWaalsContact ND2-OE2 3.15Å; N596-E599 PolarHBondContact O-N 2.69Å; N596-K973 WeakPolarHBondContact OD1-CE 3.11Å; N596-K973 PolarHBondContact OD1-NZ 2.93Å | ||
| 597 | A | 44.5 | Very low | 49.3 | Very low | 58 Ų | 58 | 87.8 Ų | 87.8 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -61.9 | -26.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S595 E599 | S595-A597 PolarHBondContact O-N 2.75Å; S595-A597 VanDerWaalsContact O-N 3.14Å; A597-E599 VanDerWaalsContact C-N 3.32Å; A597-E599 PolarHBondContact O-N 2.66Å |
| 598 | D | 47.5 | Very low | 52.1 | Low | 122 Ų | 122 | 82.8 Ų | 82.8 | 65% | 0.652 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -72.3 | -23.4 | -177 | -74.4 | -21.4 | 0 | 0 | 0 | 113.6 | N596 H601 | N596-D598 PolarHBondContact O-N 3.1Å; D598-H601 PolarHBondContact O-CE1 2.95Å; D598-H601 VanDerWaalsContact O-CE1 3.23Å; D598-H601 PolarHBondContact O-ND1 2.64Å |
| 599 | E | 53.7 | Low | 54.7 | Low | 103 Ų | 103 | 78 Ų | 78 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -103.3 | -1 | -174.5 | -69.7 | 172.3 | 157.9 | 0 | 0 | 113.3 | N596 A597 H601 M602 | N596-E599 HydrophobicContact CB-CB 4.46Å; N596-E599 PolarHBondContact ND2-OE2 2.76Å; N596-E599 VanDerWaalsContact ND2-OE2 3.15Å; N596-E599 PolarHBondContact O-N 2.69Å; A597-E599 VanDerWaalsContact C-N 3.32Å; A597-E599 PolarHBondContact O-N 2.66Å; E599-H601 PolarHBondContact O-N 3.32Å; E599-M602 HydrophobicContact CB-SD 4.4Å; E599-M602 HydrophobicContact CG-SD 4.21Å; E599-M602 WeakPolarHBondContact O-CB 3.37Å; E599-M602 PolarHBondContact O-N 2.88Å |
| 600 | L | 62.9 | Low | 57.2 | Low | 63 Ų | 63 | 77.4 Ų | 77.4 | 33% | 0.33 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -57 | -29.4 | -177.2 | -68.1 | 175.9 | 0 | 0 | 0 | 113.7 | M602 T603 Y681 | L600-M602 VanDerWaalsContact C-N 3.33Å; L600-T603 PolarHBondContact O-OG1 2.93Å; L600-Y681 HydrophobicContact CB-CD2 4.11Å; L600-Y681 HydrophobicContact CB-CG 4.17Å |
| 601 | H | 73.1 | Confident | 60 | Low | 14 Ų | 14 | 71.1 Ų | 71.1 | 7% | 0.065 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -75.6 | -21.8 | 178.6 | 66.2 | -80.5 | 0 | 0 | 0 | 113.3 | D598 E599 T603 E604 W606 F607 L680 | D598-H601 PolarHBondContact O-CE1 2.95Å; D598-H601 VanDerWaalsContact O-CE1 3.23Å; D598-H601 PolarHBondContact O-ND1 2.64Å; E599-H601 PolarHBondContact O-N 3.32Å; H601-T603 PolarHBondContact O-N 3.12Å; H601-E604 WeakPolarHBondContact O-CB 3.2Å; H601-E604 PolarHBondContact O-N 2.65Å; H601-W606 HydrophobicContact CB-CH2 3.53Å; H601-W606 HydrophobicContact CB-CZ2 4.17Å; H601-W606 HydrophobicContact CB-CZ3 4.29Å; H601-F607 AromaticContact CD2-CD2 3.78Å; H601-F607 AromaticContact CD2-CE2 3.66Å; H601-F607 AromaticContact CD2-CZ 3.84Å; H601-F607 AromaticContact NE2-CZ 3.97Å; H601-F607 WeakPolarHBondContact O-CB 3.38Å; H601-L680 HydrophobicContact CB-CB 4.08Å; H601-L680 HydrophobicContact CB-CD2 4.43Å |
| 602 | M | 66.8 | Low | 62.9 | Low | 55 Ų | 55 | 72.4 Ų | 72.4 | 27% | 0.271 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -68.7 | -20.4 | 179.1 | -66.6 | -177.8 | 57.5 | 0 | 0 | 112.1 | E599 L600 F607 R768 L769 | E599-M602 HydrophobicContact CB-SD 4.4Å; E599-M602 HydrophobicContact CG-SD 4.21Å; E599-M602 WeakPolarHBondContact O-CB 3.37Å; E599-M602 PolarHBondContact O-N 2.88Å; L600-M602 VanDerWaalsContact C-N 3.33Å; M602-F607 HydrophobicContact CG-CE1 4.4Å; M602-R768 WeakPolarHBondContact O-CB 3.26Å; M602-R768 WeakPolarHBondContact O-CD 3.08Å; M602-R768 WeakPolarHBondContact O-CG 3.47Å; M602-L769 HydrophobicContact CE-CD1 4.1Å |
| 603 | T | 67.2 | Low | 65.9 | Low | 68 Ų | 68 | 75.5 Ų | 75.5 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -89.2 | -6.8 | 179.5 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | L600 H601 | L600-T603 PolarHBondContact O-OG1 2.93Å; H601-T603 PolarHBondContact O-N 3.12Å |
| 604 | E | 81.7 | Confident | 69 | Low | 52 Ų | 52 | 75.6 Ų | 75.6 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -88.1 | 138.5 | -173.3 | -67 | -73.4 | 116.4 | 0 | 0 | 112.9 | H601 W606 F607 Y681 Q707 | H601-E604 WeakPolarHBondContact O-CB 3.2Å; H601-E604 PolarHBondContact O-N 2.65Å; E604-W606 HydrophobicContact CB-CD2 3.93Å; E604-W606 VanDerWaalsContact CB-CE2 3.41Å; E604-W606 HydrophobicContact CB-CG 4.2Å; E604-W606 HydrophobicContact CB-CZ2 3.78Å; E604-W606 VanDerWaalsContact CB-NE1 3.33Å; E604-W606 HydrophobicContact CG-CZ2 3.67Å; E604-W606 PolarHBondContact O-N 3.09Å; E604-W606 PolarHBondContact OE2-NE1 3.19Å; E604-F607 PolarHBondContact O-N 3.26Å; E604-Y681 HydrophobicContact CG-CD2 3.8Å; E604-Y681 HydrophobicContact CG-CE2 3.9Å; E604-Q707 PolarHBondContact O-NE2 3.31Å |
| 605 | E | 79.2 | Confident | 71.8 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -33 | -179.6 | -68.6 | -175 | 143.1 | 0 | 0 | 113.2 | F607 H608 P704 | E605-F607 PolarHBondContact O-N 3.19Å; E605-H608 PolarHBondContact O-NE2 3.06Å; E605-P704 HydrophobicContact CB-CB 4.04Å |
| 606 | W | 89.6 | Confident | 74.5 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.9 | 179.2 | 51.9 | -98.9 | 0 | 0 | 0 | 113.3 | H601 E604 F631 L632 V633 L680 Y681 I684 P704 | H601-W606 HydrophobicContact CB-CH2 3.53Å; H601-W606 HydrophobicContact CB-CZ2 4.17Å; H601-W606 HydrophobicContact CB-CZ3 4.29Å; E604-W606 HydrophobicContact CB-CD2 3.93Å; E604-W606 VanDerWaalsContact CB-CE2 3.41Å; E604-W606 HydrophobicContact CB-CG 4.2Å; E604-W606 HydrophobicContact CB-CZ2 3.78Å; E604-W606 VanDerWaalsContact CB-NE1 3.33Å; E604-W606 HydrophobicContact CG-CZ2 3.67Å; E604-W606 PolarHBondContact O-N 3.09Å; E604-W606 PolarHBondContact OE2-NE1 3.19Å; W606-F631 HydrophobicContact CB-CD2 4.07Å; W606-F631 HydrophobicContact CB-CE2 3.39Å; W606-F631 HydrophobicContact CB-CZ 3.72Å; W606-F631 AromaticContact CD1-CZ 3.96Å; W606-F631 HydrophobicContact CD2-CE2 4.18Å; W606-F631 AromaticContact CG-CE2 3.61Å; W606-F631 HydrophobicContact CG-CE2 3.61Å; W606-F631 AromaticContact CG-CZ 3.85Å; W606-F631 HydrophobicContact CG-CZ 3.85Å; W606-L632 CarbonylContact O-C 3.57Å; W606-L632 VanDerWaalsContact O-CA 3.25Å; W606-L632 WeakPolarHBondContact O-CA 3.16Å; W606-V633 HydrophobicContact CE3-CB 3.74Å; W606-V633 HydrophobicContact CE3-CG2 3.53Å; W606-V633 HydrophobicContact CZ3-CB 3.85Å; W606-V633 HydrophobicContact CZ3-CG1 4.38Å; W606-V633 HydrophobicContact CZ3-CG2 3.75Å; W606-V633 PolarHBondContact O-N 3.25Å; W606-L680 HydrophobicContact CH2-CD2 4.36Å; W606-L680 HydrophobicContact CH2-CG 4.49Å; W606-L680 HydrophobicContact CZ3-CD2 4.05Å; W606-L680 HydrophobicContact CZ3-CG 4.49Å; W606-Y681 HydrophobicContact CZ2-CD2 4.4Å; W606-I684 HydrophobicContact CD2-CG1 4.46Å; W606-I684 HydrophobicContact CD2-CG2 3.9Å; W606-I684 HydrophobicContact CE3-CG1 4.1Å; W606-I684 HydrophobicContact CE3-CG2 4.35Å; W606-I684 HydrophobicContact CG-CG2 4.34Å; W606-I684 HydrophobicContact CH2-CB 3.92Å; W606-I684 HydrophobicContact CH2-CG1 3.59Å; W606-I684 HydrophobicContact CH2-CG2 4.33Å; W606-I684 HydrophobicContact CZ2-CB 3.81Å; W606-I684 HydrophobicContact CZ2-CG1 4.01Å; W606-I684 HydrophobicContact CZ2-CG2 3.89Å; W606-I684 HydrophobicContact CZ3-CB 4.37Å; W606-I684 HydrophobicContact CZ3-CG1 3.66Å; W606-P704 HydrophobicContact CB-CB 3.88Å; W606-P704 HydrophobicContact CB-CG 4.48Å |
| 607 | F | 88.5 | Confident | 77 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -94.6 | 115.9 | -179.5 | -172.9 | -104.3 | 0 | 0 | 0 | 111.8 | H601 M602 E604 E605 V633 Y643 L680 Q707 | H601-F607 AromaticContact CD2-CD2 3.78Å; H601-F607 AromaticContact CD2-CE2 3.66Å; H601-F607 AromaticContact CD2-CZ 3.84Å; H601-F607 AromaticContact NE2-CZ 3.97Å; H601-F607 WeakPolarHBondContact O-CB 3.38Å; M602-F607 HydrophobicContact CG-CE1 4.4Å; E604-F607 PolarHBondContact O-N 3.26Å; E605-F607 PolarHBondContact O-N 3.19Å; F607-V633 HydrophobicContact CD2-CB 4.24Å; F607-V633 HydrophobicContact CD2-CG1 4.2Å; F607-V633 HydrophobicContact CE2-CG1 4.47Å; F607-Y643 AromaticContact CE2-CD1 3.87Å; F607-Y643 HydrophobicContact CE2-CD1 3.87Å; F607-Y643 AromaticContact CE2-CE1 3.58Å; F607-Y643 HydrophobicContact CE2-CE1 3.58Å; F607-Y643 HydrophobicContact CZ-CD1 4.43Å; F607-Y643 AromaticContact CZ-CE1 3.74Å; F607-Y643 HydrophobicContact CZ-CE1 3.74Å; F607-L680 HydrophobicContact CD2-CD2 3.88Å; F607-L680 HydrophobicContact CE2-CD2 3.78Å; F607-Q707 PolarHBondContact O-NE2 3.05Å |
| 608 | H | 86 | Confident | 79.2 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | trans | -108 | 5 | -172.6 | -73.5 | -138.1 | 0 | 0 | 0 | 113.1 | E605 R610 I611 L632 V633 C705 P706 | E605-H608 PolarHBondContact O-NE2 3.06Å; H608-R610 PolarHBondContact O-N 2.8Å; H608-I611 HydrophobicContact CB-CD1 3.63Å; H608-I611 HydrophobicContact CB-CG1 3.99Å; H608-L632 HydrophobicContact CB-CD1 4.44Å; H608-V633 PolarHBondContact N-O 2.82Å; H608-C705 PolarHBondContact NE2-O 3.25Å; H608-P706 PolarHBondContact CE1-O 3.42Å | ||
| 609 | G | 79 | Confident | 81.2 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | trans | 55.5 | -129.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I611 R634 E635 | G609-I611 PolarHBondContact O-N 2.78Å; G609-R634 CarbonylContact O-C 3.29Å; G609-R634 VanDerWaalsContact O-CA 3.3Å; G609-R634 WeakPolarHBondContact O-CA 3.31Å; G609-R634 WeakPolarHBondContact O-CB 3.21Å; G609-E635 PolarHBondContact O-N 3.49Å | ||
| 610 | R | 79.7 | Confident | 83 | Confident | 147 Ų | 147 | 62.1 Ų | 62.1 | 56% | 0.555 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -86.7 | 80.5 | -176.4 | -72.4 | -176.9 | 179.8 | -174.8 | 2.6 | 112.7 | H385 H608 E635 | H385-R610 PolarHBondContact CE1-NH2 2.86Å; H385-R610 VanDerWaalsContact CE1-NH2 3.31Å; H608-R610 PolarHBondContact O-N 2.8Å; R610-E635 HydrophobicContact CG-CB 4.26Å; R610-E635 VanDerWaalsContact CG-CD 3.41Å; R610-E635 HydrophobicContact CG-CG 4.25Å; R610-E635 VanDerWaalsContact CG-OE2 3.23Å; R610-E635 WeakPolarHBondContact CG-OE2 3.41Å; R610-E635 IonicContact CZ-OE2 2.9Å; R610-E635 IonicContact NE-OE1 4Å; R610-E635 IonicContact NE-OE2 3.19Å; R610-E635 PolarHBondContact NE-OE2 2.9Å; R610-E635 IonicContact NH2-OE2 3.09Å |
| 611 | I | 83.5 | Confident | 84.3 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.087 | 28% | 0.284 | C | S | . | . | trans | -117.1 | 146.5 | 166.5 | 61 | 165.8 | 0 | 0 | 0 | 111.7 | H608 G609 Q615 A616 I619 L632 R634 | H608-I611 HydrophobicContact CB-CD1 3.63Å; H608-I611 HydrophobicContact CB-CG1 3.99Å; G609-I611 PolarHBondContact O-N 2.78Å; I611-Q615 HydrophobicContact CB-CB 4.48Å; I611-A616 HydrophobicContact CD1-CB 3.81Å; I611-I619 HydrophobicContact CD1-CD1 4.12Å; I611-L632 HydrophobicContact CD1-CD1 3.99Å; I611-L632 HydrophobicContact CD1-CD2 4.35Å; I611-R634 HydrophobicContact CD1-CB 4.4Å; I611-R634 HydrophobicContact CG1-CB 3.68Å; I611-R634 HydrophobicContact CG1-CG 4.39Å; I611-R634 WeakPolarHBondContact O-CD 3.46Å | ||
| 612 | R | 85.2 | Confident | 85 | Confident | 168 Ų | 168 | 69.9 Ų | 69.9 | 63% | 0.634 | 31% | 0.309 | S | S | * | . | trans | -71.2 | 157.5 | 175.3 | -67.5 | -174.1 | -178.3 | 177.1 | 2.5 | 110.6 | E614 Q615 A616 | R612-E614 PolarHBondContact O-N 3.04Å; R612-Q615 PolarHBondContact O-N 2.82Å; R612-Q615 VanDerWaalsContact O-N 3.16Å; R612-A616 PolarHBondContact O-N 3.02Å | ||
| 613 | R | 89.1 | Confident | 86.1 | Confident | 143 Ų | 143 | 69.2 Ų | 69.2 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.7 | -43.6 | 176.4 | -176.8 | 177.5 | 177.8 | 167.2 | -6.9 | 112.2 | Q615 A616 V617 H655 | R613-Q615 VanDerWaalsContact C-N 3.34Å; R613-Q615 PolarHBondContact O-N 3.07Å; R613-A616 WeakPolarHBondContact O-CB 3.44Å; R613-A616 PolarHBondContact O-N 2.98Å; R613-V617 WeakPolarHBondContact O-CG2 3.28Å; R613-V617 PolarHBondContact O-N 3.39Å; R613-H655 VanDerWaalsContact CZ-CD2 3.44Å; R613-H655 PolarHBondContact NE-CD2 3.37Å; R613-H655 PolarHBondContact NE-NE2 3.27Å; R613-H655 VanDerWaalsContact NE-NE2 3.19Å; R613-H655 PolarHBondContact NH2-CD2 2.92Å; R613-H655 VanDerWaalsContact NH2-CD2 3.32Å |
| 614 | E | 89.2 | Confident | 87.1 | Confident | 140 Ų | 140 | 75.2 Ų | 75.2 | 65% | 0.654 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | -179.4 | -58.1 | 159.3 | -119.9 | 0 | 0 | 111.7 | R612 V617 R618 | R612-E614 PolarHBondContact O-N 3.04Å; E614-V617 PolarHBondContact O-N 3.47Å; E614-R618 PolarHBondContact O-N 3.18Å |
| 615 | Q | 86.6 | Confident | 87.4 | Confident | 89 Ų | 89 | 78.9 Ų | 78.9 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 177.7 | -166.6 | 173.4 | 2.4 | 0 | 0 | 111.4 | I611 R612 R613 V617 R618 I619 | I611-Q615 HydrophobicContact CB-CB 4.48Å; R612-Q615 PolarHBondContact O-N 2.82Å; R612-Q615 VanDerWaalsContact O-N 3.16Å; R613-Q615 VanDerWaalsContact C-N 3.34Å; R613-Q615 PolarHBondContact O-N 3.07Å; Q615-V617 VanDerWaalsContact C-N 3.31Å; Q615-V617 PolarHBondContact O-N 3.26Å; Q615-R618 PolarHBondContact O-N 3.44Å; Q615-I619 HydrophobicContact CG-CD1 4.08Å; Q615-I619 VanDerWaalsContact O-CG1 3.25Å; Q615-I619 WeakPolarHBondContact O-CG1 3.26Å; Q615-I619 PolarHBondContact O-N 3.33Å |
| 616 | A | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I611 R612 R613 L620 L632 | I611-A616 HydrophobicContact CD1-CB 3.81Å; R612-A616 PolarHBondContact O-N 3.02Å; R613-A616 WeakPolarHBondContact O-CB 3.44Å; R613-A616 PolarHBondContact O-N 2.98Å; A616-L620 WeakPolarHBondContact O-CB 3.25Å; A616-L620 VanDerWaalsContact O-CG 3.31Å; A616-L620 WeakPolarHBondContact O-CG 3.41Å; A616-L620 PolarHBondContact O-N 3.23Å; A616-L620 VanDerWaalsContact O-N 3.17Å; A616-L632 HydrophobicContact CB-CD1 3.97Å; A616-L632 HydrophobicContact CB-CD2 4.26Å |
| 617 | V | 93.8 | Very high | 87.8 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 174.6 | 172 | 0 | 0 | 0 | 0 | 110 | R613 E614 Q615 I619 L620 E621 V653 | R613-V617 WeakPolarHBondContact O-CG2 3.28Å; R613-V617 PolarHBondContact O-N 3.39Å; E614-V617 PolarHBondContact O-N 3.47Å; Q615-V617 VanDerWaalsContact C-N 3.31Å; Q615-V617 PolarHBondContact O-N 3.26Å; V617-I619 PolarHBondContact O-N 3.38Å; V617-L620 PolarHBondContact O-N 2.96Å; V617-E621 HydrophobicContact CG1-CG 4.3Å; V617-E621 WeakPolarHBondContact CG1-OE1 3.33Å; V617-E621 WeakPolarHBondContact O-CG 3.22Å; V617-E621 PolarHBondContact O-N 3.45Å; V617-V653 HydrophobicContact CG2-CB 4.41Å; V617-V653 HydrophobicContact CG2-CG1 4.1Å |
| 618 | R | 90.6 | Very high | 87.8 | Confident | 152 Ų | 152 | 80.3 Ų | 80.3 | 57% | 0.574 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -55.3 | -47.5 | 178.5 | -75.5 | 179.9 | 55.6 | -160.2 | -9 | 112.9 | E614 Q615 L620 E621 E622 | E614-R618 PolarHBondContact O-N 3.18Å; Q615-R618 PolarHBondContact O-N 3.44Å; R618-L620 VanDerWaalsContact C-N 3.34Å; R618-L620 PolarHBondContact O-N 3.02Å; R618-E621 PolarHBondContact O-N 2.81Å; R618-E622 IonicContact NE-OE1 3.16Å; R618-E622 IonicContact NH2-OE1 3.8Å; R618-E622 WeakPolarHBondContact O-CB 3.48Å; R618-E622 WeakPolarHBondContact O-CG 3.28Å; R618-E622 PolarHBondContact O-N 2.84Å |
| 619 | I | 89.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 79.7 Ų | 79.7 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | -179.6 | -67.6 | 165.2 | 0 | 0 | 0 | 111.3 | I611 Q615 V617 E621 N623 L632 | I611-I619 HydrophobicContact CD1-CD1 4.12Å; Q615-I619 HydrophobicContact CG-CD1 4.08Å; Q615-I619 VanDerWaalsContact O-CG1 3.25Å; Q615-I619 WeakPolarHBondContact O-CG1 3.26Å; Q615-I619 PolarHBondContact O-N 3.33Å; V617-I619 PolarHBondContact O-N 3.38Å; I619-E621 VanDerWaalsContact C-N 3.34Å; I619-N623 PolarHBondContact O-N 2.98Å; I619-N623 PolarHBondContact O-ND2 3.44Å; I619-L632 HydrophobicContact CG2-CD2 4.32Å |
| 620 | L | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68 | -33.6 | 176.9 | -72.5 | 169.8 | 0 | 0 | 0 | 112.4 | A616 V617 R618 N623 R624 L630 L632 V653 C705 | A616-L620 WeakPolarHBondContact O-CB 3.25Å; A616-L620 VanDerWaalsContact O-CG 3.31Å; A616-L620 WeakPolarHBondContact O-CG 3.41Å; A616-L620 PolarHBondContact O-N 3.23Å; A616-L620 VanDerWaalsContact O-N 3.17Å; V617-L620 PolarHBondContact O-N 2.96Å; R618-L620 VanDerWaalsContact C-N 3.34Å; R618-L620 PolarHBondContact O-N 3.02Å; L620-N623 CarbonylContact O-C 2.9Å; L620-R624 PolarHBondContact O-N 3.15Å; L620-L630 HydrophobicContact CD2-CB 4.44Å; L620-L630 HydrophobicContact CD2-CD2 3.79Å; L620-L630 HydrophobicContact CD2-CG 3.69Å; L620-L632 HydrophobicContact CD1-CD2 4.34Å; L620-L632 HydrophobicContact CD1-CG 4.49Å; L620-L632 HydrophobicContact CD2-CD2 4.23Å; L620-L632 HydrophobicContact CG-CD2 3.94Å; L620-V653 HydrophobicContact CB-CG2 4.02Å; L620-V653 HydrophobicContact CD1-CG1 3.59Å; L620-V653 HydrophobicContact CD1-CG2 4.16Å; L620-C705 HydrophobicContact CD2-CB 3.98Å |
| 621 | E | 90.5 | Very high | 89.6 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.9 | -42.9 | 176.7 | -73.4 | 177.2 | 168 | 0 | 0 | 112.5 | V617 R618 I619 N623 R624 | V617-E621 HydrophobicContact CG1-CG 4.3Å; V617-E621 WeakPolarHBondContact CG1-OE1 3.33Å; V617-E621 WeakPolarHBondContact O-CG 3.22Å; V617-E621 PolarHBondContact O-N 3.45Å; R618-E621 PolarHBondContact O-N 2.81Å; I619-E621 VanDerWaalsContact C-N 3.34Å; E621-N623 PolarHBondContact O-N 3.43Å; E621-R624 WeakPolarHBondContact O-CB 3.13Å; E621-R624 PolarHBondContact O-N 3.28Å |
| 622 | E | 87.7 | Confident | 90.2 | Very high | 127 Ų | 127 | 71.9 Ų | 71.9 | 59% | 0.593 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.4 | -32.9 | 175.3 | -74.3 | 168.8 | -168.7 | 0 | 0 | 111.3 | R618 | R618-E622 IonicContact NE-OE1 3.16Å; R618-E622 IonicContact NH2-OE1 3.8Å; R618-E622 WeakPolarHBondContact O-CB 3.48Å; R618-E622 WeakPolarHBondContact O-CG 3.28Å; R618-E622 PolarHBondContact O-N 2.84Å |
| 623 | N | 89.9 | Confident | 90.6 | Very high | 40 Ų | 40 | 63.9 Ų | 63.9 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 19.8 | 179 | -67.9 | -83.9 | 0 | 0 | 0 | 113.8 | I619 L620 E621 N625 L626 L630 P706 | I619-N623 PolarHBondContact O-N 2.98Å; I619-N623 PolarHBondContact O-ND2 3.44Å; L620-N623 CarbonylContact O-C 2.9Å; E621-N623 PolarHBondContact O-N 3.43Å; N623-N625 WeakPolarHBondContact CA-OD1 3.3Å; N623-N625 PolarHBondContact O-N 3.04Å; N623-N625 PolarHBondContact O-OD1 3.04Å; N623-L626 HydrophobicContact CB-CD1 4.06Å; N623-L626 HydrophobicContact CB-CG 4.5Å; N623-L626 WeakPolarHBondContact O-CB 3.49Å; N623-L626 PolarHBondContact O-N 3.36Å; N623-L630 HydrophobicContact CB-CD2 3.92Å; N623-L630 VanDerWaalsContact O-CD2 3.31Å; N623-L630 WeakPolarHBondContact O-CD2 3.17Å; N623-P706 WeakPolarHBondContact OD1-CG 3.47Å |
| 624 | R | 88.5 | Confident | 90.7 | Very high | 195 Ų | 195 | 57.4 Ų | 57.4 | 74% | 0.736 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -57.7 | -24.4 | -175.1 | 81.6 | 176.8 | -154.8 | -176.1 | 3.8 | 114.1 | L620 E621 L626 G627 L648 | L620-R624 PolarHBondContact O-N 3.15Å; E621-R624 WeakPolarHBondContact O-CB 3.13Å; E621-R624 PolarHBondContact O-N 3.28Å; R624-L626 PolarHBondContact O-N 2.9Å; R624-G627 PolarHBondContact O-N 3.14Å; R624-G627 VanDerWaalsContact O-N 3.08Å; R624-L648 HydrophobicContact CB-CD2 4.2Å |
| 625 | N | 87.8 | Confident | 90.7 | Very high | 129 Ų | 129 | 53.9 Ų | 53.9 | 69% | 0.69 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -61.9 | -21 | 177.9 | 58.5 | -38.6 | 0 | 0 | 0 | 113 | N623 G627 | N623-N625 WeakPolarHBondContact CA-OD1 3.3Å; N623-N625 PolarHBondContact O-N 3.04Å; N623-N625 PolarHBondContact O-OD1 3.04Å; N625-G627 PolarHBondContact O-N 2.84Å |
| 626 | L | 89 | Confident | 90.6 | Very high | 71 Ų | 71 | 50 Ų | 50 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -71.8 | -9.5 | 173.6 | -61.9 | 179.8 | 0 | 0 | 0 | 113.6 | N623 R624 L630 T703 P706 | N623-L626 HydrophobicContact CB-CD1 4.06Å; N623-L626 HydrophobicContact CB-CG 4.5Å; N623-L626 WeakPolarHBondContact O-CB 3.49Å; N623-L626 PolarHBondContact O-N 3.36Å; R624-L626 PolarHBondContact O-N 2.9Å; L626-L630 HydrophobicContact CB-CD1 3.87Å; L626-L630 HydrophobicContact CB-CD2 4.41Å; L626-L630 HydrophobicContact CD1-CD1 3.68Å; L626-L630 HydrophobicContact CG-CD1 4.42Å; L626-T703 HydrophobicContact CB-CG2 4.25Å; L626-T703 HydrophobicContact CD1-CG2 4.35Å; L626-P706 HydrophobicContact CD1-CG 4.21Å |
| 627 | G | 86.4 | Confident | 90 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | trans | 90.7 | -176.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116 | R624 N625 L630 | R624-G627 PolarHBondContact O-N 3.14Å; R624-G627 VanDerWaalsContact O-N 3.08Å; N625-G627 PolarHBondContact O-N 2.84Å; G627-L630 WeakPolarHBondContact O-CB 3.42Å; G627-L630 PolarHBondContact O-N 3.22Å | ||
| 628 | N | 89.3 | Confident | 89.3 | Confident | 65 Ų | 65 | 57.6 Ų | 57.6 | 35% | 0.348 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 131.3 | -175.7 | -165.8 | 5.7 | 0 | 0 | 0 | 111.3 | L648 H649 N650 | N628-L648 PolarHBondContact OD1-O 3.18Å; N628-H649 VanDerWaalsContact OD1-CA 3.23Å; N628-H649 WeakPolarHBondContact OD1-CA 3.24Å; N628-H649 PolarHBondContact OD1-ND1 3.37Å; N628-N650 PolarHBondContact ND2-OD1 2.98Å; N628-N650 PolarHBondContact OD1-N 3.04Å |
| 629 | G | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 6.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L648 R702 T703 | G629-L648 PolarHBondContact N-O 3.44Å; G629-R702 PolarHBondContact O-N 2.75Å; G629-T703 PolarHBondContact O-N 3.2Å |
| 630 | L | 95.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 129.5 | 169.1 | -178.8 | 70.9 | 0 | 0 | 0 | 110.2 | L620 N623 L626 G627 L648 T703 C705 | L620-L630 HydrophobicContact CD2-CB 4.44Å; L620-L630 HydrophobicContact CD2-CD2 3.79Å; L620-L630 HydrophobicContact CD2-CG 3.69Å; N623-L630 HydrophobicContact CB-CD2 3.92Å; N623-L630 VanDerWaalsContact O-CD2 3.31Å; N623-L630 WeakPolarHBondContact O-CD2 3.17Å; L626-L630 HydrophobicContact CB-CD1 3.87Å; L626-L630 HydrophobicContact CB-CD2 4.41Å; L626-L630 HydrophobicContact CD1-CD1 3.68Å; L626-L630 HydrophobicContact CG-CD1 4.42Å; G627-L630 WeakPolarHBondContact O-CB 3.42Å; G627-L630 PolarHBondContact O-N 3.22Å; L630-L648 HydrophobicContact CB-CB 4.09Å; L630-L648 HydrophobicContact CB-CD2 4.29Å; L630-L648 HydrophobicContact CD2-CD2 4.24Å; L630-L648 PolarHBondContact O-N 2.81Å; L630-T703 VanDerWaalsContact CA-O 3.29Å; L630-T703 WeakPolarHBondContact CA-O 3.47Å; L630-T703 HydrophobicContact CD1-CG2 4.2Å; L630-T703 WeakPolarHBondContact CD1-O 3.16Å; L630-C705 HydrophobicContact CD1-CB 3.82Å; L630-C705 HydrophobicContact CG-CB 4.09Å |
| 631 | F | 97 | Very high | 87.3 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.9 | -172.4 | 76.5 | -77.6 | 0 | 0 | 0 | 113.8 | W606 L645 S646 L647 I684 Q688 L701 T703 P704 C705 | W606-F631 HydrophobicContact CB-CD2 4.07Å; W606-F631 HydrophobicContact CB-CE2 3.39Å; W606-F631 HydrophobicContact CB-CZ 3.72Å; W606-F631 AromaticContact CD1-CZ 3.96Å; W606-F631 HydrophobicContact CD2-CE2 4.18Å; W606-F631 AromaticContact CG-CE2 3.61Å; W606-F631 HydrophobicContact CG-CE2 3.61Å; W606-F631 AromaticContact CG-CZ 3.85Å; W606-F631 HydrophobicContact CG-CZ 3.85Å; F631-L645 HydrophobicContact CB-CD1 4.2Å; F631-L645 HydrophobicContact CD2-CD1 3.86Å; F631-L645 HydrophobicContact CG-CD1 4.45Å; F631-S646 CarbonylContact C-O 3.34Å; F631-S646 VanDerWaalsContact CA-O 3.26Å; F631-S646 WeakPolarHBondContact CA-O 3.41Å; F631-L647 HydrophobicContact CB-CD1 3.83Å; F631-I684 HydrophobicContact CE2-CG2 3.61Å; F631-I684 HydrophobicContact CZ-CG2 3.96Å; F631-Q688 HydrophobicContact CZ-CG 4.34Å; F631-L701 HydrophobicContact CB-CD2 4.03Å; F631-L701 HydrophobicContact CD1-CB 3.69Å; F631-L701 HydrophobicContact CD1-CD2 4.41Å; F631-L701 HydrophobicContact CD2-CB 4.21Å; F631-L701 HydrophobicContact CD2-CD1 3.99Å; F631-L701 HydrophobicContact CD2-CD2 4.19Å; F631-L701 HydrophobicContact CD2-CG 4.35Å; F631-L701 HydrophobicContact CE1-CB 3.66Å; F631-L701 HydrophobicContact CE2-CB 4.16Å; F631-L701 HydrophobicContact CE2-CD1 3.97Å; F631-L701 HydrophobicContact CG-CB 3.98Å; F631-L701 HydrophobicContact CG-CD1 4.47Å; F631-L701 HydrophobicContact CG-CD2 3.94Å; F631-L701 HydrophobicContact CG-CG 4.34Å; F631-L701 HydrophobicContact CZ-CB 3.9Å; F631-L701 HydrophobicContact CZ-CD1 4.45Å; F631-T703 WeakPolarHBondContact CD1-O 3.41Å; F631-T703 PolarHBondContact N-O 2.82Å; F631-P704 HydrophobicContact CE1-CG 4.19Å; F631-P704 HydrophobicContact CZ-CG 4.27Å; F631-C705 WeakPolarHBondContact O-CB 3.28Å; F631-C705 PolarHBondContact O-N 2.97Å |
| 632 | L | 95.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 159.3 | 169.2 | 65 | 84.5 | 0 | 0 | 0 | 110.8 | W606 H608 I611 A616 I619 L620 R634 S646 C705 | W606-L632 CarbonylContact O-C 3.57Å; W606-L632 VanDerWaalsContact O-CA 3.25Å; W606-L632 WeakPolarHBondContact O-CA 3.16Å; H608-L632 HydrophobicContact CB-CD1 4.44Å; I611-L632 HydrophobicContact CD1-CD1 3.99Å; I611-L632 HydrophobicContact CD1-CD2 4.35Å; A616-L632 HydrophobicContact CB-CD1 3.97Å; A616-L632 HydrophobicContact CB-CD2 4.26Å; I619-L632 HydrophobicContact CG2-CD2 4.32Å; L620-L632 HydrophobicContact CD1-CD2 4.34Å; L620-L632 HydrophobicContact CD1-CG 4.49Å; L620-L632 HydrophobicContact CD2-CD2 4.23Å; L620-L632 HydrophobicContact CG-CD2 3.94Å; L632-R634 HydrophobicContact CD1-CB 4.29Å; L632-R634 HydrophobicContact CD1-CG 4.33Å; L632-S646 PolarHBondContact N-O 2.79Å; L632-S646 PolarHBondContact O-N 3.19Å; L632-C705 HydrophobicContact CB-CB 4.14Å; L632-C705 HydrophobicContact CD2-CB 4.35Å |
| 633 | V | 94.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.2 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 109 | W606 F607 H608 S644 L645 I658 L680 I684 | W606-V633 HydrophobicContact CE3-CB 3.74Å; W606-V633 HydrophobicContact CE3-CG2 3.53Å; W606-V633 HydrophobicContact CZ3-CB 3.85Å; W606-V633 HydrophobicContact CZ3-CG1 4.38Å; W606-V633 HydrophobicContact CZ3-CG2 3.75Å; W606-V633 PolarHBondContact O-N 3.25Å; F607-V633 HydrophobicContact CD2-CB 4.24Å; F607-V633 HydrophobicContact CD2-CG1 4.2Å; F607-V633 HydrophobicContact CE2-CG1 4.47Å; H608-V633 PolarHBondContact N-O 2.82Å; V633-S644 WeakPolarHBondContact CA-O 3.22Å; V633-L645 HydrophobicContact CG2-CD1 4Å; V633-I658 HydrophobicContact CG1-CD1 3.77Å; V633-I658 HydrophobicContact CG2-CD1 4.39Å; V633-L680 HydrophobicContact CG1-CD2 3.77Å; V633-I684 HydrophobicContact CG2-CD1 3.61Å; V633-I684 HydrophobicContact CG2-CG1 3.99Å |
| 634 | R | 92.2 | Very high | 87.8 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 161.6 | -177.4 | 61.7 | -177.8 | -179.6 | 79.5 | 3.8 | 110.8 | G609 I611 L632 Y643 S644 S646 | G609-R634 CarbonylContact O-C 3.29Å; G609-R634 VanDerWaalsContact O-CA 3.3Å; G609-R634 WeakPolarHBondContact O-CA 3.31Å; G609-R634 WeakPolarHBondContact O-CB 3.21Å; I611-R634 HydrophobicContact CD1-CB 4.4Å; I611-R634 HydrophobicContact CG1-CB 3.68Å; I611-R634 HydrophobicContact CG1-CG 4.39Å; I611-R634 WeakPolarHBondContact O-CD 3.46Å; L632-R634 HydrophobicContact CD1-CB 4.29Å; L632-R634 HydrophobicContact CD1-CG 4.33Å; R634-Y643 CarbonylContact O-C 3.56Å; R634-Y643 WeakPolarHBondContact O-CA 3.46Å; R634-S644 PolarHBondContact N-O 2.95Å; R634-S644 PolarHBondContact O-N 3.21Å; R634-S646 PolarHBondContact NE-OG 2.88Å |
| 635 | E | 88.7 | Confident | 88.1 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 141.3 | 166.9 | -74.9 | -177.2 | -147.9 | 0 | 0 | 110.6 | G609 R610 T637 Y643 | G609-E635 PolarHBondContact O-N 3.49Å; R610-E635 HydrophobicContact CG-CB 4.26Å; R610-E635 VanDerWaalsContact CG-CD 3.41Å; R610-E635 HydrophobicContact CG-CG 4.25Å; R610-E635 VanDerWaalsContact CG-OE2 3.23Å; R610-E635 WeakPolarHBondContact CG-OE2 3.41Å; R610-E635 IonicContact CZ-OE2 2.9Å; R610-E635 IonicContact NE-OE1 4Å; R610-E635 IonicContact NE-OE2 3.19Å; R610-E635 PolarHBondContact NE-OE2 2.9Å; R610-E635 IonicContact NH2-OE2 3.09Å; E635-T637 PolarHBondContact O-N 2.92Å; E635-Y643 HydrophobicContact CG-CD1 4.11Å; E635-Y643 HydrophobicContact CG-CE1 3.77Å |
| 636 | S | 83.6 | Confident | 88.5 | Confident | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | trans | -79 | 110.7 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | T638 F639 D642 | S636-T638 PolarHBondContact O-N 3.41Å; S636-F639 WeakPolarHBondContact CB-O 3.38Å; S636-F639 CarbonylContact O-C 3.59Å; S636-F639 PolarHBondContact O-N 3.37Å; S636-F639 PolarHBondContact OG-N 3.08Å; S636-D642 VanDerWaalsContact CB-O 3.22Å; S636-D642 WeakPolarHBondContact CB-O 3.46Å; S636-D642 PolarHBondContact N-O 3.21Å | ||
| 637 | T | 79.1 | Confident | 88.9 | Confident | 87 Ų | 87 | 33.7 Ų | 33.7 | 53% | 0.534 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -66.5 | -16.8 | 172.5 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | E635 | E635-T637 PolarHBondContact O-N 2.92Š|
| 638 | T | 78.5 | Confident | 89.2 | Confident | 106 Ų | 106 | 32.9 Ų | 32.9 | 65% | 0.65 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -97.6 | -27.1 | -178.4 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | S636 | S636-T638 PolarHBondContact O-N 3.41Š|
| 639 | F | 80.1 | Confident | 89.4 | Confident | 91 Ų | 91 | 30.9 Ų | 30.9 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -133.4 | 92.1 | -176.4 | -59.3 | -77.3 | 0 | 0 | 0 | 108.6 | S636 G641 D642 R657 | S636-F639 WeakPolarHBondContact CB-O 3.38Å; S636-F639 CarbonylContact O-C 3.59Å; S636-F639 PolarHBondContact O-N 3.37Å; S636-F639 PolarHBondContact OG-N 3.08Å; F639-G641 PolarHBondContact O-N 3.13Å; F639-D642 HydrophobicContact CB-CB 4.13Å; F639-D642 WeakPolarHBondContact O-CB 3.49Å; F639-D642 PolarHBondContact O-N 3.37Å; F639-D642 VanDerWaalsContact O-N 3.13Å; F639-R657 VanDerWaalsContact CD1-CZ 3.48Å; F639-R657 VanDerWaalsContact CD1-NH1 3.34Å; F639-R657 HydrophobicContact CD2-CG 4.33Å; F639-R657 VanDerWaalsContact CE1-NH1 3.25Å; F639-R657 VanDerWaalsContact CG-CZ 3.43Å |
| 640 | V | 75.8 | Confident | 89.3 | Confident | 146 Ų | 146 | 36.6 Ų | 36.6 | 89% | 0.885 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 131.7 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 641 | G | 74.1 | Confident | 88.8 | Confident | 46 Ų | 46 | 40.1 Ų | 40.1 | 47% | 0.474 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -11.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F639 K667 | F639-G641 PolarHBondContact O-N 3.13Å; G641-K667 PolarHBondContact O-NZ 2.87Å |
| 642 | D | 89.3 | Confident | 88.5 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | trans | -102.7 | 167.3 | 174.6 | -82.4 | -5.7 | 0 | 0 | 0 | 112.3 | S636 F639 R657 I658 S660 | S636-D642 VanDerWaalsContact CB-O 3.22Å; S636-D642 WeakPolarHBondContact CB-O 3.46Å; S636-D642 PolarHBondContact N-O 3.21Å; F639-D642 HydrophobicContact CB-CB 4.13Å; F639-D642 WeakPolarHBondContact O-CB 3.49Å; F639-D642 PolarHBondContact O-N 3.37Å; F639-D642 VanDerWaalsContact O-N 3.13Å; D642-R657 IonicContact OD2-CZ 2.84Å; D642-R657 IonicContact OD2-NE 2.79Å; D642-R657 PolarHBondContact OD2-NE 3.29Å; D642-R657 IonicContact OD2-NH2 2.68Å; D642-R657 PolarHBondContact OD2-NH2 3.46Å; D642-I658 WeakPolarHBondContact CB-O 3.41Å; D642-S660 WeakPolarHBondContact OD1-CB 3.34Å; D642-S660 PolarHBondContact OD1-N 3.4Å; D642-S660 PolarHBondContact OD1-OG 3.14Å | ||
| 643 | Y | 93.6 | Very high | 88.4 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 165.9 | 176.1 | -63.2 | -79.3 | 0 | 0 | 0 | 111.7 | F607 R634 E635 I658 Y669 L680 | F607-Y643 AromaticContact CE2-CD1 3.87Å; F607-Y643 HydrophobicContact CE2-CD1 3.87Å; F607-Y643 AromaticContact CE2-CE1 3.58Å; F607-Y643 HydrophobicContact CE2-CE1 3.58Å; F607-Y643 HydrophobicContact CZ-CD1 4.43Å; F607-Y643 AromaticContact CZ-CE1 3.74Å; F607-Y643 HydrophobicContact CZ-CE1 3.74Å; R634-Y643 CarbonylContact O-C 3.56Å; R634-Y643 WeakPolarHBondContact O-CA 3.46Å; E635-Y643 HydrophobicContact CG-CD1 4.11Å; E635-Y643 HydrophobicContact CG-CE1 3.77Å; Y643-I658 PolarHBondContact N-O 2.85Å; Y643-I658 PolarHBondContact O-N 2.74Å; Y643-Y669 HydrophobicContact CD2-CD1 4.13Å; Y643-Y669 AromaticContact CD2-CE1 3.77Å; Y643-Y669 HydrophobicContact CD2-CE1 3.77Å; Y643-Y669 HydrophobicContact CE2-CD1 4.39Å; Y643-Y669 AromaticContact CE2-CE1 3.61Å; Y643-Y669 HydrophobicContact CE2-CE1 3.61Å; Y643-L680 HydrophobicContact CD1-CD2 4.28Å; Y643-L680 HydrophobicContact CD2-CD1 3.47Å; Y643-L680 VanDerWaalsContact CD2-CD1 3.47Å; Y643-L680 HydrophobicContact CD2-CD2 4.12Å; Y643-L680 HydrophobicContact CD2-CG 4.45Å; Y643-L680 HydrophobicContact CE1-CD2 4.47Å; Y643-L680 HydrophobicContact CE2-CD1 4.03Å; Y643-L680 HydrophobicContact CE2-CD2 4.27Å; Y643-L680 HydrophobicContact CG-CD1 3.94Å; Y643-L680 HydrophobicContact CG-CD2 4.11Å |
| 644 | S | 94.8 | Very high | 88.4 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123.4 | 175.2 | -70 | 0 | 0 | 0 | 0 | 109.6 | V633 R634 C656 | V633-S644 WeakPolarHBondContact CA-O 3.22Å; R634-S644 PolarHBondContact N-O 2.95Å; R634-S644 PolarHBondContact O-N 3.21Å; S644-C656 CarbonylContact C-O 3.48Å; S644-C656 WeakPolarHBondContact CA-O 3.18Å |
| 645 | L | 95.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 126.1 | 166.4 | 172.5 | 66.6 | 0 | 0 | 0 | 108.5 | F631 V633 H655 C656 I658 L671 I684 L692 L701 | F631-L645 HydrophobicContact CB-CD1 4.2Å; F631-L645 HydrophobicContact CD2-CD1 3.86Å; F631-L645 HydrophobicContact CG-CD1 4.45Å; V633-L645 HydrophobicContact CG2-CD1 4Å; L645-H655 CarbonylContact O-C 3.59Å; L645-H655 VanDerWaalsContact O-CA 3.26Å; L645-H655 WeakPolarHBondContact O-CA 3.43Å; L645-C656 HydrophobicContact CB-CB 4.34Å; L645-C656 PolarHBondContact N-O 3.47Å; L645-C656 PolarHBondContact O-N 2.97Å; L645-I658 HydrophobicContact CB-CD1 4.14Å; L645-I658 HydrophobicContact CB-CG1 4.25Å; L645-L671 HydrophobicContact CD2-CD1 3.93Å; L645-L671 HydrophobicContact CD2-CD2 4.49Å; L645-I684 HydrophobicContact CD1-CD1 4.47Å; L645-L692 HydrophobicContact CD2-CD2 3.88Å; L645-L701 HydrophobicContact CD1-CD1 4.16Å; L645-L701 HydrophobicContact CD1-CD2 3.98Å; L645-L701 HydrophobicContact CD2-CD1 4.43Å; L645-L701 HydrophobicContact CD2-CD2 3.97Å |
| 646 | S | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125 | 171.5 | -50 | 0 | 0 | 0 | 0 | 108.5 | F631 L632 R634 H654 H655 | F631-S646 CarbonylContact C-O 3.34Å; F631-S646 VanDerWaalsContact CA-O 3.26Å; F631-S646 WeakPolarHBondContact CA-O 3.41Å; L632-S646 PolarHBondContact N-O 2.79Å; L632-S646 PolarHBondContact O-N 3.19Å; R634-S646 PolarHBondContact NE-OG 2.88Å; S646-H654 CarbonylContact C-O 3.58Å; S646-H654 WeakPolarHBondContact CA-O 3.34Å; S646-H655 WeakPolarHBondContact CB-ND1 3.3Å; S646-H655 PolarHBondContact OG-ND1 2.81Å |
| 647 | L | 96 | Very high | 89 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.5 | -168.1 | 171.7 | 70.6 | 0 | 0 | 0 | 110.2 | F631 V653 H654 F697 L701 | F631-L647 HydrophobicContact CB-CD1 3.83Å; L647-V653 WeakPolarHBondContact O-CA 3.26Å; L647-H654 PolarHBondContact N-O 2.88Å; L647-H654 PolarHBondContact O-N 2.85Å; L647-F697 HydrophobicContact CD2-CD2 3.96Å; L647-F697 HydrophobicContact CD2-CE2 3.44Å; L647-F697 VanDerWaalsContact CD2-CE2 3.44Å; L647-F697 HydrophobicContact CD2-CZ 3.91Å; L647-L701 HydrophobicContact CD1-CD2 3.87Å; L647-L701 HydrophobicContact CD2-CD2 4.44Å |
| 648 | L | 94.2 | Very high | 89.7 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 114 | 169.5 | -175.1 | 66.9 | 0 | 0 | 0 | 109.6 | R624 N628 G629 L630 V653 | R624-L648 HydrophobicContact CB-CD2 4.2Å; N628-L648 PolarHBondContact OD1-O 3.18Å; G629-L648 PolarHBondContact N-O 3.44Å; L630-L648 HydrophobicContact CB-CB 4.09Å; L630-L648 HydrophobicContact CB-CD2 4.29Å; L630-L648 HydrophobicContact CD2-CD2 4.24Å; L630-L648 PolarHBondContact O-N 2.81Å; L648-V653 HydrophobicContact CD1-CG2 3.96Å |
| 649 | H | 92.7 | Very high | 90.3 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.8 | 174.9 | -173.3 | 69.2 | 0 | 0 | 0 | 112.3 | N628 G651 S652 F697 | N628-H649 VanDerWaalsContact OD1-CA 3.23Å; N628-H649 WeakPolarHBondContact OD1-CA 3.24Å; N628-H649 PolarHBondContact OD1-ND1 3.37Å; H649-G651 PolarHBondContact O-N 3.04Å; H649-G651 VanDerWaalsContact O-N 3.14Å; H649-S652 PolarHBondContact N-O 3.25Å; H649-S652 PolarHBondContact O-N 3.28Å; H649-S652 VanDerWaalsContact O-O 3.11Å; H649-F697 HydrophobicContact CB-CB 4.45Å; H649-F697 WeakPolarHBondContact CD2-CB 3.28Å |
| 650 | N | 87.8 | Confident | 90.6 | Very high | 121 Ų | 121 | 42.4 Ų | 42.4 | 65% | 0.647 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 43.8 | 179.1 | -66.3 | -6.4 | 0 | 0 | 0 | 113.6 | N628 S652 | N628-N650 PolarHBondContact ND2-OD1 2.98Å; N628-N650 PolarHBondContact OD1-N 3.04Å; N650-S652 VanDerWaalsContact C-N 3.31Å; N650-S652 PolarHBondContact O-N 2.82Å |
| 651 | G | 85.5 | Confident | 91.1 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 75% | 0.753 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81 | -0.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | H649 | H649-G651 PolarHBondContact O-N 3.04Å; H649-G651 VanDerWaalsContact O-N 3.14Å |
| 652 | S | 91.1 | Very high | 91.4 | Very high | 67 Ų | 67 | 42.2 Ų | 42.2 | 47% | 0.469 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.7 | 177.6 | -65.7 | 0 | 0 | 0 | 0 | 112 | H649 N650 H654 | H649-S652 PolarHBondContact N-O 3.25Å; H649-S652 PolarHBondContact O-N 3.28Å; H649-S652 VanDerWaalsContact O-O 3.11Å; N650-S652 VanDerWaalsContact C-N 3.31Å; N650-S652 PolarHBondContact O-N 2.82Å; S652-H654 PolarHBondContact O-CD2 2.87Å |
| 653 | V | 93.6 | Very high | 90.6 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.1 | 173.8 | 180 | 0 | 0 | 0 | 0 | 110.1 | V617 L620 L647 L648 | V617-V653 HydrophobicContact CG2-CB 4.41Å; V617-V653 HydrophobicContact CG2-CG1 4.1Å; L620-V653 HydrophobicContact CB-CG2 4.02Å; L620-V653 HydrophobicContact CD1-CG1 3.59Å; L620-V653 HydrophobicContact CD1-CG2 4.16Å; L647-V653 WeakPolarHBondContact O-CA 3.26Å; L648-V653 HydrophobicContact CD1-CG2 3.96Å |
| 654 | H | 93.1 | Very high | 89.2 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.1 | 175.3 | -63.9 | -86.4 | 0 | 0 | 0 | 110.5 | S646 L647 S652 F697 | S646-H654 CarbonylContact C-O 3.58Å; S646-H654 WeakPolarHBondContact CA-O 3.34Å; L647-H654 PolarHBondContact N-O 2.88Å; L647-H654 PolarHBondContact O-N 2.85Å; S652-H654 PolarHBondContact O-CD2 2.87Å; H654-F697 HydrophobicContact CB-CD1 4Å; H654-F697 HydrophobicContact CB-CE1 3.72Å; H654-F697 AromaticContact CG-CD1 3.7Å; H654-F697 AromaticContact CG-CE1 3.96Å; H654-F697 AromaticContact ND1-CD1 3.83Å |
| 655 | H | 93.2 | Very high | 87.7 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.9 | 174.8 | -52.4 | -88.3 | 0 | 0 | 0 | 110.3 | R613 L645 S646 | R613-H655 VanDerWaalsContact CZ-CD2 3.44Å; R613-H655 PolarHBondContact NE-CD2 3.37Å; R613-H655 PolarHBondContact NE-NE2 3.27Å; R613-H655 VanDerWaalsContact NE-NE2 3.19Å; R613-H655 PolarHBondContact NH2-CD2 2.92Å; R613-H655 VanDerWaalsContact NH2-CD2 3.32Å; L645-H655 CarbonylContact O-C 3.59Å; L645-H655 VanDerWaalsContact O-CA 3.26Å; L645-H655 WeakPolarHBondContact O-CA 3.43Å; S646-H655 WeakPolarHBondContact CB-ND1 3.3Å; S646-H655 PolarHBondContact OG-ND1 2.81Å |
| 656 | C | 92 | Very high | 86.6 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.2 | 177 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | S644 L645 I658 L671 F697 | S644-C656 CarbonylContact C-O 3.48Å; S644-C656 WeakPolarHBondContact CA-O 3.18Å; L645-C656 HydrophobicContact CB-CB 4.34Å; L645-C656 PolarHBondContact N-O 3.47Å; L645-C656 PolarHBondContact O-N 2.97Å; C656-I658 PolarHBondContact O-N 3Å; C656-L671 HydrophobicContact CB-CD2 3.54Å; C656-F697 VanDerWaalsContact SG-CZ 3.59Å |
| 657 | R | 92.3 | Very high | 85.7 | Confident | 97 Ų | 97 | 56.7 Ų | 56.7 | 37% | 0.366 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.1 | 174 | 179.6 | -177.6 | 176.1 | -175.4 | -2.9 | 109.3 | F639 D642 K659 | F639-R657 VanDerWaalsContact CD1-CZ 3.48Å; F639-R657 VanDerWaalsContact CD1-NH1 3.34Å; F639-R657 HydrophobicContact CD2-CG 4.33Å; F639-R657 VanDerWaalsContact CE1-NH1 3.25Å; F639-R657 VanDerWaalsContact CG-CZ 3.43Å; D642-R657 IonicContact OD2-CZ 2.84Å; D642-R657 IonicContact OD2-NE 2.79Å; D642-R657 PolarHBondContact OD2-NE 3.29Å; D642-R657 IonicContact OD2-NH2 2.68Å; D642-R657 PolarHBondContact OD2-NH2 3.46Å; R657-K659 HydrophobicContact CG-CG 4.2Å |
| 658 | I | 94.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 108.2 | 165.8 | -58.4 | 170.7 | 0 | 0 | 0 | 106.2 | V633 D642 Y643 L645 C656 Y669 L671 L680 L683 I684 | V633-I658 HydrophobicContact CG1-CD1 3.77Å; V633-I658 HydrophobicContact CG2-CD1 4.39Å; D642-I658 WeakPolarHBondContact CB-O 3.41Å; Y643-I658 PolarHBondContact N-O 2.85Å; Y643-I658 PolarHBondContact O-N 2.74Å; L645-I658 HydrophobicContact CB-CD1 4.14Å; L645-I658 HydrophobicContact CB-CG1 4.25Å; C656-I658 PolarHBondContact O-N 3Å; I658-Y669 HydrophobicContact CG2-CD1 4.29Å; I658-L671 HydrophobicContact CG1-CD1 4.47Å; I658-L671 HydrophobicContact CG1-CD2 3.87Å; I658-L671 HydrophobicContact CG1-CG 4.03Å; I658-L680 HydrophobicContact CD1-CD1 4.12Å; I658-L680 HydrophobicContact CG2-CD1 3.95Å; I658-L683 HydrophobicContact CG1-CD2 4.42Å; I658-L683 HydrophobicContact CG2-CD2 3.54Å; I658-I684 HydrophobicContact CD1-CD1 4.41Å |
| 659 | K | 90.6 | Very high | 85.1 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 147.3 | 178.9 | -62.9 | 175.1 | -178.8 | 179.7 | 0 | 109.3 | R657 Y669 Y670 | R657-K659 HydrophobicContact CG-CG 4.2Å; K659-Y669 WeakPolarHBondContact O-CA 3.49Å; K659-Y670 HydrophobicContact CB-CD1 4.19Å; K659-Y670 HydrophobicContact CB-CD2 4.27Å; K659-Y670 HydrophobicContact CB-CE1 3.68Å; K659-Y670 HydrophobicContact CB-CE2 3.81Å; K659-Y670 HydrophobicContact CB-CG 4.44Å; K659-Y670 VanDerWaalsContact CB-CZ 3.46Å; K659-Y670 HydrophobicContact CD-CD2 4.4Å; K659-Y670 HydrophobicContact CD-CE2 3.56Å; K659-Y670 HydrophobicContact CG-CE2 4.31Å; K659-Y670 PolarHBondContact N-O 3.44Å; K659-Y670 WeakPolarHBondContact O-CD1 3.44Å; K659-Y670 PolarHBondContact O-N 2.98Å |
| 660 | S | 86.5 | Confident | 85.1 | Confident | 34 Ų | 34 | 59 Ų | 59 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.7 | 167.6 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | D642 K667 H668 | D642-S660 WeakPolarHBondContact OD1-CB 3.34Å; D642-S660 PolarHBondContact OD1-N 3.4Å; D642-S660 PolarHBondContact OD1-OG 3.14Å; S660-K667 VanDerWaalsContact OG-CE 3.23Å; S660-K667 WeakPolarHBondContact OG-CE 3.01Å; S660-H668 CarbonylContact C-O 3.35Å; S660-H668 VanDerWaalsContact CA-O 3.26Å; S660-H668 WeakPolarHBondContact CA-O 3.46Å |
| 661 | T | 85.3 | Confident | 85.2 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 149.3 | 173.2 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | I663 K667 H668 Y670 K676 | T661-I663 HydrophobicContact CG2-CD1 4.09Å; T661-I663 HydrophobicContact CG2-CG1 4.13Å; T661-K667 CarbonylContact O-C 3.46Å; T661-K667 WeakPolarHBondContact O-CA 3.22Å; T661-H668 HydrophobicContact CG2-CB 4.18Å; T661-H668 PolarHBondContact N-O 3.47Å; T661-H668 PolarHBondContact O-N 2.93Å; T661-Y670 HydrophobicContact CG2-CD1 4.24Å; T661-Y670 HydrophobicContact CG2-CE1 3.75Å; T661-K676 HydrophobicContact CG2-CD 4.26Å |
| 662 | Q | 80.7 | Confident | 85.2 | Confident | 145 Ų | 145 | 54.3 Ų | 54.3 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.9 | 169.9 | -80.5 | 177.9 | -27.4 | 0 | 0 | 109.5 | V666 K667 | Q662-V666 WeakPolarHBondContact CA-O 3.41Å; Q662-K667 HydrophobicContact CG-CB 4.44Å |
| 663 | I | 71.9 | Confident | 84.6 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.5 | 173 | -58.1 | 171.6 | 0 | 0 | 0 | 105.5 | T661 G665 V666 K676 | T661-I663 HydrophobicContact CG2-CD1 4.09Å; T661-I663 HydrophobicContact CG2-CG1 4.13Å; I663-G665 PolarHBondContact O-N 3.46Å; I663-V666 PolarHBondContact N-O 2.8Å; I663-V666 PolarHBondContact O-N 3.41Å; I663-K676 HydrophobicContact CD1-CD 3.88Å |
| 664 | A | 64.9 | Low | 84 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 78% | 0.777 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 36 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V666 | A664-V666 PolarHBondContact O-N 3.2Š|
| 665 | G | 63.8 | Low | 83.6 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -16.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I663 | I663-G665 PolarHBondContact O-N 3.46Š|
| 666 | V | 71.2 | Confident | 83.4 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 39% | 0.394 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | Q662 I663 A664 H668 | Q662-V666 WeakPolarHBondContact CA-O 3.41Å; I663-V666 PolarHBondContact N-O 2.8Å; I663-V666 PolarHBondContact O-N 3.41Å; A664-V666 PolarHBondContact O-N 3.2Å; V666-H668 PolarHBondContact O-ND1 2.7Å |
| 667 | K | 78.5 | Confident | 83.3 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 30% | 0.3 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 125.5 | 177.1 | -170 | 173.1 | 179.5 | -175.8 | 0 | 108.9 | G641 S660 T661 Q662 Y669 | G641-K667 PolarHBondContact O-NZ 2.87Å; S660-K667 VanDerWaalsContact OG-CE 3.23Å; S660-K667 WeakPolarHBondContact OG-CE 3.01Å; T661-K667 CarbonylContact O-C 3.46Å; T661-K667 WeakPolarHBondContact O-CA 3.22Å; Q662-K667 HydrophobicContact CG-CB 4.44Å; K667-Y669 HydrophobicContact CD-CE1 4.34Å; K667-Y669 WeakPolarHBondContact CD-OH 3.32Å; K667-Y669 HydrophobicContact CG-CE2 4.44Å |
| 668 | H | 86.1 | Confident | 82.9 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143.9 | 176.9 | -62.8 | 69.8 | 0 | 0 | 0 | 110.5 | S660 T661 V666 K676 M677 D678 | S660-H668 CarbonylContact C-O 3.35Å; S660-H668 VanDerWaalsContact CA-O 3.26Å; S660-H668 WeakPolarHBondContact CA-O 3.46Å; T661-H668 HydrophobicContact CG2-CB 4.18Å; T661-H668 PolarHBondContact N-O 3.47Å; T661-H668 PolarHBondContact O-N 2.93Å; V666-H668 PolarHBondContact O-ND1 2.7Å; H668-K676 HydrophobicContact CB-CB 4.25Å; H668-M677 CarbonylContact C-O 3.55Å; H668-M677 WeakPolarHBondContact CA-O 3.38Å; H668-D678 IonicContact CD2-OD1 3.75Å; H668-D678 PolarHBondContact CD2-OD1 2.81Å; H668-D678 IonicContact NE2-OD1 2.9Å; H668-D678 PolarHBondContact NE2-OD1 2.9Å |
| 669 | Y | 91.3 | Very high | 82.5 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 11% | 0.106 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.7 | -179.3 | -58.5 | -84.1 | 0 | 0 | 0 | 111.1 | Y643 I658 K659 K667 M677 L680 | Y643-Y669 HydrophobicContact CD2-CD1 4.13Å; Y643-Y669 AromaticContact CD2-CE1 3.77Å; Y643-Y669 HydrophobicContact CD2-CE1 3.77Å; Y643-Y669 HydrophobicContact CE2-CD1 4.39Å; Y643-Y669 AromaticContact CE2-CE1 3.61Å; Y643-Y669 HydrophobicContact CE2-CE1 3.61Å; I658-Y669 HydrophobicContact CG2-CD1 4.29Å; K659-Y669 WeakPolarHBondContact O-CA 3.49Å; K667-Y669 HydrophobicContact CD-CE1 4.34Å; K667-Y669 WeakPolarHBondContact CD-OH 3.32Å; K667-Y669 HydrophobicContact CG-CE2 4.44Å; Y669-M677 PolarHBondContact N-O 2.79Å; Y669-M677 PolarHBondContact O-N 3.3Å; Y669-L680 HydrophobicContact CD1-CD1 3.74Å; Y669-L680 HydrophobicContact CE1-CD1 4.21Å; Y669-L680 HydrophobicContact CG-CD1 3.98Å |
| 670 | Y | 92.6 | Very high | 82.3 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 10% | 0.102 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 146.5 | 179.4 | 62.7 | -77.1 | 0 | 0 | 0 | 113.3 | K659 T661 E673 K675 K676 | K659-Y670 HydrophobicContact CB-CD1 4.19Å; K659-Y670 HydrophobicContact CB-CD2 4.27Å; K659-Y670 HydrophobicContact CB-CE1 3.68Å; K659-Y670 HydrophobicContact CB-CE2 3.81Å; K659-Y670 HydrophobicContact CB-CG 4.44Å; K659-Y670 VanDerWaalsContact CB-CZ 3.46Å; K659-Y670 HydrophobicContact CD-CD2 4.4Å; K659-Y670 HydrophobicContact CD-CE2 3.56Å; K659-Y670 HydrophobicContact CG-CE2 4.31Å; K659-Y670 PolarHBondContact N-O 3.44Å; K659-Y670 WeakPolarHBondContact O-CD1 3.44Å; K659-Y670 PolarHBondContact O-N 2.98Å; T661-Y670 HydrophobicContact CG2-CD1 4.24Å; T661-Y670 HydrophobicContact CG2-CE1 3.75Å; Y670-E673 HydrophobicContact CE2-CG 4.1Å; Y670-K675 WeakPolarHBondContact CB-O 3.13Å; Y670-K676 HydrophobicContact CD1-CG 4.13Å; Y670-K676 HydrophobicContact CG-CG 4.11Å |
| 671 | L | 90.5 | Very high | 82.4 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -30.6 | 167.6 | -79.4 | 157.6 | 0 | 0 | 0 | 111.5 | L645 C656 I658 L683 Y687 L692 | L645-L671 HydrophobicContact CD2-CD1 3.93Å; L645-L671 HydrophobicContact CD2-CD2 4.49Å; C656-L671 HydrophobicContact CB-CD2 3.54Å; I658-L671 HydrophobicContact CG1-CD1 4.47Å; I658-L671 HydrophobicContact CG1-CD2 3.87Å; I658-L671 HydrophobicContact CG1-CG 4.03Å; L671-L683 HydrophobicContact CD1-CD2 4.46Å; L671-L683 HydrophobicContact CG-CD2 4.43Å; L671-Y687 HydrophobicContact CB-CE2 3.97Å; L671-Y687 HydrophobicContact CD1-CD2 3.63Å; L671-Y687 HydrophobicContact CD1-CE2 3.52Å; L671-Y687 HydrophobicContact CD1-CG 4.46Å; L671-Y687 HydrophobicContact CG-CE2 4.28Å; L671-L692 HydrophobicContact CB-CD1 4.16Å; L671-L692 HydrophobicContact CD1-CD1 4.37Å; L671-L692 HydrophobicContact CD1-CD2 4.13Å |
| 672 | L | 84.8 | Confident | 82.6 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 37% | 0.366 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136 | 177.6 | -64.8 | 172.9 | 0 | 0 | 0 | 108.3 | T674 K675 L692 | L672-T674 PolarHBondContact O-N 3.21Å; L672-T674 VanDerWaalsContact O-N 3.09Å; L672-K675 CarbonylContact O-C 3.52Å; L672-K675 PolarHBondContact O-N 3.21Å; L672-L692 HydrophobicContact CD1-CD1 4.36Å; L672-L692 HydrophobicContact CG-CD1 4.45Å |
| 673 | E | 79.8 | Confident | 83.2 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.4 | -172.9 | -134.4 | 151.4 | -139.8 | 0 | 0 | 113.3 | Y670 K675 | Y670-E673 HydrophobicContact CE2-CG 4.1Å; E673-K675 VanDerWaalsContact C-N 3.3Å; E673-K675 PolarHBondContact O-N 2.84Å |
| 674 | T | 80.9 | Confident | 84.2 | Confident | 132 Ų | 132 | 57 Ų | 57 | 81% | 0.81 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -12 | 176.2 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | L672 | L672-T674 PolarHBondContact O-N 3.21Å; L672-T674 VanDerWaalsContact O-N 3.09Å |
| 675 | K | 84.8 | Confident | 85.4 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 93.7 | -176.3 | -158.1 | 76.8 | -173.6 | 174.8 | 0 | 112 | Y670 L672 E673 M677 Y686 | Y670-K675 WeakPolarHBondContact CB-O 3.13Å; L672-K675 CarbonylContact O-C 3.52Å; L672-K675 PolarHBondContact O-N 3.21Å; E673-K675 VanDerWaalsContact C-N 3.3Å; E673-K675 PolarHBondContact O-N 2.84Å; K675-M677 HydrophobicContact CD-CE 4.45Å; K675-M677 HydrophobicContact CG-CE 4.14Å; K675-Y686 HydrophobicContact CD-CE1 4.4Å; K675-Y686 HydrophobicContact CD-CE2 4.38Å; K675-Y686 HydrophobicContact CG-CD1 4.33Å; K675-Y686 HydrophobicContact CG-CE1 3.94Å |
| 676 | K | 88.4 | Confident | 86.8 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.7 | 176.1 | -59.7 | 176.8 | -174.7 | 173.6 | 0 | 110.1 | T661 I663 H668 Y670 | T661-K676 HydrophobicContact CG2-CD 4.26Å; I663-K676 HydrophobicContact CD1-CD 3.88Å; H668-K676 HydrophobicContact CB-CB 4.25Å; Y670-K676 HydrophobicContact CD1-CG 4.13Å; Y670-K676 HydrophobicContact CG-CG 4.11Å |
| 677 | M | 89.1 | Confident | 87.8 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 16% | 0.158 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.4 | 176.4 | -60.1 | -59.8 | -167.8 | 0 | 0 | 109.9 | H668 Y669 K675 T679 Q682 L683 Y686 | H668-M677 CarbonylContact C-O 3.55Å; H668-M677 WeakPolarHBondContact CA-O 3.38Å; Y669-M677 PolarHBondContact N-O 2.79Å; Y669-M677 PolarHBondContact O-N 3.3Å; K675-M677 HydrophobicContact CD-CE 4.45Å; K675-M677 HydrophobicContact CG-CE 4.14Å; M677-T679 VanDerWaalsContact C-N 3.34Å; M677-Q682 HydrophobicContact CB-CB 3.98Å; M677-Q682 HydrophobicContact CG-CB 4.27Å; M677-L683 HydrophobicContact CB-CB 4.15Å; M677-L683 HydrophobicContact CB-CD1 4.45Å; M677-L683 HydrophobicContact CG-CB 4.14Å; M677-L683 HydrophobicContact CG-CD1 3.94Å; M677-Y686 HydrophobicContact CE-CD1 4.4Å; M677-Y686 HydrophobicContact CE-CD2 3.76Å; M677-Y686 HydrophobicContact CE-CG 3.68Å |
| 678 | D | 84.4 | Confident | 88.5 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 41% | 0.406 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -75.6 | -30.4 | -175 | -54.3 | -18.5 | 0 | 0 | 0 | 110.9 | H668 | H668-D678 IonicContact CD2-OD1 3.75Å; H668-D678 PolarHBondContact CD2-OD1 2.81Å; H668-D678 IonicContact NE2-OD1 2.9Å; H668-D678 PolarHBondContact NE2-OD1 2.9Å |
| 679 | T | 86.5 | Confident | 88.7 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -126.4 | 154 | -179.9 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | M677 Y681 Q682 L683 | M677-T679 VanDerWaalsContact C-N 3.34Å; T679-Y681 PolarHBondContact O-N 3.02Å; T679-Q682 PolarHBondContact O-N 3.23Å; T679-Q682 WeakPolarHBondContact OG1-CG 3.34Å; T679-Q682 PolarHBondContact OG1-N 3.2Å; T679-L683 PolarHBondContact O-N 3.07Å; T679-L683 VanDerWaalsContact O-N 3.12Å |
| 680 | L | 87.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -38.3 | 172.6 | -148.9 | 76.6 | 0 | 0 | 0 | 110.9 | H601 W606 F607 V633 Y643 I658 Y669 L683 I684 | H601-L680 HydrophobicContact CB-CB 4.08Å; H601-L680 HydrophobicContact CB-CD2 4.43Å; W606-L680 HydrophobicContact CH2-CD2 4.36Å; W606-L680 HydrophobicContact CH2-CG 4.49Å; W606-L680 HydrophobicContact CZ3-CD2 4.05Å; W606-L680 HydrophobicContact CZ3-CG 4.49Å; F607-L680 HydrophobicContact CD2-CD2 3.88Å; F607-L680 HydrophobicContact CE2-CD2 3.78Å; V633-L680 HydrophobicContact CG1-CD2 3.77Å; Y643-L680 HydrophobicContact CD1-CD2 4.28Å; Y643-L680 HydrophobicContact CD2-CD1 3.47Å; Y643-L680 VanDerWaalsContact CD2-CD1 3.47Å; Y643-L680 HydrophobicContact CD2-CD2 4.12Å; Y643-L680 HydrophobicContact CD2-CG 4.45Å; Y643-L680 HydrophobicContact CE1-CD2 4.47Å; Y643-L680 HydrophobicContact CE2-CD1 4.03Å; Y643-L680 HydrophobicContact CE2-CD2 4.27Å; Y643-L680 HydrophobicContact CG-CD1 3.94Å; Y643-L680 HydrophobicContact CG-CD2 4.11Å; I658-L680 HydrophobicContact CD1-CD1 4.12Å; I658-L680 HydrophobicContact CG2-CD1 3.95Å; Y669-L680 HydrophobicContact CD1-CD1 3.74Å; Y669-L680 HydrophobicContact CE1-CD1 4.21Å; Y669-L680 HydrophobicContact CG-CD1 3.98Å; L680-L683 WeakPolarHBondContact O-CB 3.35Å; L680-L683 PolarHBondContact O-N 2.99Å; L680-I684 WeakPolarHBondContact O-CG1 3.42Å; L680-I684 PolarHBondContact O-N 3.09Å |
| 681 | Y | 88 | Confident | 88.6 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 38% | 0.384 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 177.1 | -176.6 | -90.1 | 0 | 0 | 0 | 111.9 | L600 E604 W606 T679 L683 I684 G685 | L600-Y681 HydrophobicContact CB-CD2 4.11Å; L600-Y681 HydrophobicContact CB-CG 4.17Å; E604-Y681 HydrophobicContact CG-CD2 3.8Å; E604-Y681 HydrophobicContact CG-CE2 3.9Å; W606-Y681 HydrophobicContact CZ2-CD2 4.4Å; T679-Y681 PolarHBondContact O-N 3.02Å; Y681-L683 VanDerWaalsContact C-N 3.34Å; Y681-L683 PolarHBondContact O-N 2.98Å; Y681-I684 PolarHBondContact O-N 2.73Å; Y681-G685 PolarHBondContact O-N 3.23Å |
| 682 | Q | 89.6 | Confident | 88.6 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 176.8 | -73.8 | 173.8 | -1.3 | 0 | 0 | 112.3 | M677 T679 Y686 | M677-Q682 HydrophobicContact CB-CB 3.98Å; M677-Q682 HydrophobicContact CG-CB 4.27Å; T679-Q682 PolarHBondContact O-N 3.23Å; T679-Q682 WeakPolarHBondContact OG1-CG 3.34Å; T679-Q682 PolarHBondContact OG1-N 3.2Å; Q682-Y686 WeakPolarHBondContact O-CB 3.41Å; Q682-Y686 PolarHBondContact O-N 3.32Å |
| 683 | L | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 177.8 | -172.8 | 70.4 | 0 | 0 | 0 | 111.6 | I658 L671 M677 T679 L680 Y681 Y686 Y687 | I658-L683 HydrophobicContact CG1-CD2 4.42Å; I658-L683 HydrophobicContact CG2-CD2 3.54Å; L671-L683 HydrophobicContact CD1-CD2 4.46Å; L671-L683 HydrophobicContact CG-CD2 4.43Å; M677-L683 HydrophobicContact CB-CB 4.15Å; M677-L683 HydrophobicContact CB-CD1 4.45Å; M677-L683 HydrophobicContact CG-CB 4.14Å; M677-L683 HydrophobicContact CG-CD1 3.94Å; T679-L683 PolarHBondContact O-N 3.07Å; T679-L683 VanDerWaalsContact O-N 3.12Å; L680-L683 WeakPolarHBondContact O-CB 3.35Å; L680-L683 PolarHBondContact O-N 2.99Å; Y681-L683 VanDerWaalsContact C-N 3.34Å; Y681-L683 PolarHBondContact O-N 2.98Å; L683-Y686 WeakPolarHBondContact O-CB 3.41Å; L683-Y686 PolarHBondContact O-N 3.25Å; L683-Y687 HydrophobicContact CD1-CD2 4.22Å; L683-Y687 HydrophobicContact CD1-CE2 3.71Å; L683-Y687 HydrophobicContact CG-CD2 4.25Å; L683-Y687 HydrophobicContact CG-CE2 4.18Å; L683-Y687 VanDerWaalsContact O-CD2 3.26Å; L683-Y687 WeakPolarHBondContact O-CD2 3.28Å; L683-Y687 PolarHBondContact O-N 3.12Å |
| 684 | I | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 178.7 | -63.2 | -51.8 | 0 | 0 | 0 | 110.8 | W606 F631 V633 L645 I658 L680 Y681 Y686 Y687 Q688 L701 | W606-I684 HydrophobicContact CD2-CG1 4.46Å; W606-I684 HydrophobicContact CD2-CG2 3.9Å; W606-I684 HydrophobicContact CE3-CG1 4.1Å; W606-I684 HydrophobicContact CE3-CG2 4.35Å; W606-I684 HydrophobicContact CG-CG2 4.34Å; W606-I684 HydrophobicContact CH2-CB 3.92Å; W606-I684 HydrophobicContact CH2-CG1 3.59Å; W606-I684 HydrophobicContact CH2-CG2 4.33Å; W606-I684 HydrophobicContact CZ2-CB 3.81Å; W606-I684 HydrophobicContact CZ2-CG1 4.01Å; W606-I684 HydrophobicContact CZ2-CG2 3.89Å; W606-I684 HydrophobicContact CZ3-CB 4.37Å; W606-I684 HydrophobicContact CZ3-CG1 3.66Å; F631-I684 HydrophobicContact CE2-CG2 3.61Å; F631-I684 HydrophobicContact CZ-CG2 3.96Å; V633-I684 HydrophobicContact CG2-CD1 3.61Å; V633-I684 HydrophobicContact CG2-CG1 3.99Å; L645-I684 HydrophobicContact CD1-CD1 4.47Å; I658-I684 HydrophobicContact CD1-CD1 4.41Å; L680-I684 WeakPolarHBondContact O-CG1 3.42Å; L680-I684 PolarHBondContact O-N 3.09Å; Y681-I684 PolarHBondContact O-N 2.73Å; I684-Y686 PolarHBondContact O-N 3.44Å; I684-Y687 CarbonylContact O-C 3.54Å; I684-Y687 PolarHBondContact O-N 3.34Å; I684-Q688 HydrophobicContact CG2-CG 4.36Å; I684-Q688 WeakPolarHBondContact O-CG 3.44Å; I684-Q688 PolarHBondContact O-N 3.23Å; I684-L701 HydrophobicContact CD1-CD1 3.91Å; I684-L701 HydrophobicContact CG2-CD1 3.99Å |
| 685 | G | 89.9 | Confident | 88.9 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.1 | -33.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y681 K689 | Y681-G685 PolarHBondContact O-N 3.23Å; G685-K689 PolarHBondContact O-N 3.27Å |
| 686 | Y | 91.8 | Very high | 88.8 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 29% | 0.29 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 172.2 | 177.3 | -96.2 | 0 | 0 | 0 | 112.2 | K675 M677 Q682 L683 I684 Q688 K689 Q690 | K675-Y686 HydrophobicContact CD-CE1 4.4Å; K675-Y686 HydrophobicContact CD-CE2 4.38Å; K675-Y686 HydrophobicContact CG-CD1 4.33Å; K675-Y686 HydrophobicContact CG-CE1 3.94Å; M677-Y686 HydrophobicContact CE-CD1 4.4Å; M677-Y686 HydrophobicContact CE-CD2 3.76Å; M677-Y686 HydrophobicContact CE-CG 3.68Å; Q682-Y686 WeakPolarHBondContact O-CB 3.41Å; Q682-Y686 PolarHBondContact O-N 3.32Å; L683-Y686 WeakPolarHBondContact O-CB 3.41Å; L683-Y686 PolarHBondContact O-N 3.25Å; I684-Y686 PolarHBondContact O-N 3.44Å; Y686-Q688 VanDerWaalsContact C-N 3.29Å; Y686-Q688 PolarHBondContact O-N 3.17Å; Y686-K689 PolarHBondContact O-N 3.23Å; Y686-K689 VanDerWaalsContact O-N 3.08Å; Y686-Q690 HydrophobicContact CD1-CB 4.47Å; Y686-Q690 HydrophobicContact CD2-CG 4.47Å; Y686-Q690 HydrophobicContact CE1-CB 4.01Å; Y686-Q690 HydrophobicContact CE1-CG 4.44Å; Y686-Q690 HydrophobicContact CE2-CB 4.36Å; Y686-Q690 HydrophobicContact CE2-CG 3.9Å; Y686-Q690 PolarHBondContact O-N 3.24Å |
| 687 | Y | 94.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -77.3 | -10.3 | -179.5 | -72.1 | -66.7 | 0 | 0 | 0 | 114.7 | L671 L683 I684 Q690 L692 L701 | L671-Y687 HydrophobicContact CB-CE2 3.97Å; L671-Y687 HydrophobicContact CD1-CD2 3.63Å; L671-Y687 HydrophobicContact CD1-CE2 3.52Å; L671-Y687 HydrophobicContact CD1-CG 4.46Å; L671-Y687 HydrophobicContact CG-CE2 4.28Å; L683-Y687 HydrophobicContact CD1-CD2 4.22Å; L683-Y687 HydrophobicContact CD1-CE2 3.71Å; L683-Y687 HydrophobicContact CG-CD2 4.25Å; L683-Y687 HydrophobicContact CG-CE2 4.18Å; L683-Y687 VanDerWaalsContact O-CD2 3.26Å; L683-Y687 WeakPolarHBondContact O-CD2 3.28Å; L683-Y687 PolarHBondContact O-N 3.12Å; I684-Y687 CarbonylContact O-C 3.54Å; I684-Y687 PolarHBondContact O-N 3.34Å; Y687-Q690 CarbonylContact C-O 3.58Å; Y687-Q690 VanDerWaalsContact CA-O 3.24Å; Y687-Q690 WeakPolarHBondContact CA-O 3.25Å; Y687-L692 HydrophobicContact CD1-CB 3.74Å; Y687-L692 HydrophobicContact CD1-CD1 4.13Å; Y687-L692 HydrophobicContact CE1-CB 4Å; Y687-L692 HydrophobicContact CE1-CD1 3.57Å; Y687-L692 HydrophobicContact CE1-CG 4.38Å; Y687-L692 HydrophobicContact CG-CB 4.44Å; Y687-L701 PolarHBondContact O-N 2.9Å |
| 688 | Q | 92.3 | Very high | 88.9 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 163 | -73.1 | 178 | -44.5 | 0 | 0 | 111.3 | F631 I684 Y686 L701 | F631-Q688 HydrophobicContact CZ-CG 4.34Å; I684-Q688 HydrophobicContact CG2-CG 4.36Å; I684-Q688 WeakPolarHBondContact O-CG 3.44Å; I684-Q688 PolarHBondContact O-N 3.23Å; Y686-Q688 VanDerWaalsContact C-N 3.29Å; Y686-Q688 PolarHBondContact O-N 3.17Å; Q688-L701 WeakPolarHBondContact CA-O 3.45Å; Q688-L701 HydrophobicContact CG-CB 3.87Å; Q688-L701 WeakPolarHBondContact CG-O 3.37Å |
| 689 | K | 90.7 | Very high | 89.1 | Confident | 159 Ų | 159 | 62.2 Ų | 62.2 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -86.2 | -38.8 | 179.5 | -63.4 | 177.1 | -174.6 | 178.6 | 0 | 112.6 | G685 Y686 K700 | G685-K689 PolarHBondContact O-N 3.27Å; Y686-K689 PolarHBondContact O-N 3.23Å; Y686-K689 VanDerWaalsContact O-N 3.08Å; K689-K700 WeakPolarHBondContact O-CE 3.3Å; K689-K700 PolarHBondContact O-NZ 3.33Å |
| 690 | Q | 89.8 | Confident | 89.4 | Confident | 96 Ų | 96 | 66 Ų | 66 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -113.1 | 138 | -175.9 | -67.5 | -63.4 | -19.4 | 0 | 0 | 111.7 | Y686 Y687 L692 | Y686-Q690 HydrophobicContact CD1-CB 4.47Å; Y686-Q690 HydrophobicContact CD2-CG 4.47Å; Y686-Q690 HydrophobicContact CE1-CB 4.01Å; Y686-Q690 HydrophobicContact CE1-CG 4.44Å; Y686-Q690 HydrophobicContact CE2-CB 4.36Å; Y686-Q690 HydrophobicContact CE2-CG 3.9Å; Y686-Q690 PolarHBondContact O-N 3.24Å; Y687-Q690 CarbonylContact C-O 3.58Å; Y687-Q690 VanDerWaalsContact CA-O 3.24Å; Y687-Q690 WeakPolarHBondContact CA-O 3.25Å; Q690-L692 PolarHBondContact O-N 2.59Å |
| 691 | P | 90.6 | Very high | 89.8 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | trans | -69.9 | 134.1 | -178.6 | 29.1 | -32.2 | 0 | 0 | 0 | 111.1 | I693 R698 S699 K700 | P691-I693 PolarHBondContact O-N 2.94Å; P691-R698 HydrophobicContact CB-CG 4.19Å; P691-S699 WeakPolarHBondContact CA-O 3.41Å; P691-K700 HydrophobicContact CB-CG 3.95Å | ||
| 692 | L | 90.5 | Very high | 90 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 120.4 | 165.6 | 179.2 | 62.6 | 0 | 0 | 0 | 108.4 | L645 L671 L672 Y687 Q690 T694 F697 R698 S699 | L645-L692 HydrophobicContact CD2-CD2 3.88Å; L671-L692 HydrophobicContact CB-CD1 4.16Å; L671-L692 HydrophobicContact CD1-CD1 4.37Å; L671-L692 HydrophobicContact CD1-CD2 4.13Å; L672-L692 HydrophobicContact CD1-CD1 4.36Å; L672-L692 HydrophobicContact CG-CD1 4.45Å; Y687-L692 HydrophobicContact CD1-CB 3.74Å; Y687-L692 HydrophobicContact CD1-CD1 4.13Å; Y687-L692 HydrophobicContact CE1-CB 4Å; Y687-L692 HydrophobicContact CE1-CD1 3.57Å; Y687-L692 HydrophobicContact CE1-CG 4.38Å; Y687-L692 HydrophobicContact CG-CB 4.44Å; Q690-L692 PolarHBondContact O-N 2.59Å; L692-T694 HydrophobicContact CD2-CG2 4.49Å; L692-T694 HydrophobicContact CG-CG2 4.16Å; L692-F697 HydrophobicContact CB-CE2 4.36Å; L692-F697 HydrophobicContact CD2-CE2 3.98Å; L692-F697 HydrophobicContact CD2-CZ 3.87Å; L692-F697 HydrophobicContact CG-CE2 4.16Å; L692-F697 HydrophobicContact CG-CZ 4.38Å; L692-R698 WeakPolarHBondContact O-CA 3.21Å; L692-S699 PolarHBondContact N-O 2.87Å; L692-S699 PolarHBondContact O-N 3.5Å; L692-S699 VanDerWaalsContact O-N 3.15Å |
| 693 | I | 87.4 | Confident | 90 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.9 | -179.3 | -54.1 | 178.1 | 0 | 0 | 0 | 108.2 | P691 R698 | P691-I693 PolarHBondContact O-N 2.94Å; I693-R698 HydrophobicContact CG1-CG 4.2Å |
| 694 | T | 84.5 | Confident | 89.9 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | trans | -128.1 | 164.7 | 171.5 | 74.3 | 0 | 0 | 0 | 0 | 109.1 | L692 K696 F697 | L692-T694 HydrophobicContact CD2-CG2 4.49Å; L692-T694 HydrophobicContact CG-CG2 4.16Å; T694-K696 PolarHBondContact O-N 2.85Å; T694-K696 PolarHBondContact OG1-N 3.18Å; T694-F697 HydrophobicContact CG2-CD1 4.43Å; T694-F697 HydrophobicContact CG2-CE1 3.83Å; T694-F697 HydrophobicContact CG2-CE2 4.18Å; T694-F697 HydrophobicContact CG2-CZ 3.69Å; T694-F697 PolarHBondContact N-O 3.28Å; T694-F697 PolarHBondContact O-N 3.01Å; T694-F697 WeakPolarHBondContact OG1-CD1 3.12Å; T694-F697 WeakPolarHBondContact OG1-CE1 3.43Å; T694-F697 PolarHBondContact OG1-N 2.8Å; T694-F697 VanDerWaalsContact OG1-N 3.09Å; T694-F697 PolarHBondContact OG1-O 2.88Å | ||
| 695 | P | 81.2 | Confident | 89.7 | Confident | 145 Ų | 145 | 69.8 Ų | 69.8 | 94% | 0.942 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -58.5 | -20.3 | 173.7 | -25.8 | 35.2 | 0 | 0 | 0 | 114.3 | ||
| 696 | K | 82.5 | Confident | 89.3 | Confident | 175 Ų | 175 | 71.1 Ų | 71.1 | 76% | 0.761 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -99.6 | -26 | -175.7 | -65.7 | -171.5 | 177.5 | -174.4 | 0 | 113.9 | T694 | T694-K696 PolarHBondContact O-N 2.85Å; T694-K696 PolarHBondContact OG1-N 3.18Å |
| 697 | F | 88.2 | Confident | 88.5 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | trans | -158.7 | 157.1 | -177.6 | 67.9 | -93.6 | 0 | 0 | 0 | 112.2 | L647 H649 H654 C656 L692 T694 | L647-F697 HydrophobicContact CD2-CD2 3.96Å; L647-F697 HydrophobicContact CD2-CE2 3.44Å; L647-F697 VanDerWaalsContact CD2-CE2 3.44Å; L647-F697 HydrophobicContact CD2-CZ 3.91Å; H649-F697 HydrophobicContact CB-CB 4.45Å; H649-F697 WeakPolarHBondContact CD2-CB 3.28Å; H654-F697 HydrophobicContact CB-CD1 4Å; H654-F697 HydrophobicContact CB-CE1 3.72Å; H654-F697 AromaticContact CG-CD1 3.7Å; H654-F697 AromaticContact CG-CE1 3.96Å; H654-F697 AromaticContact ND1-CD1 3.83Å; C656-F697 VanDerWaalsContact SG-CZ 3.59Å; L692-F697 HydrophobicContact CB-CE2 4.36Å; L692-F697 HydrophobicContact CD2-CE2 3.98Å; L692-F697 HydrophobicContact CD2-CZ 3.87Å; L692-F697 HydrophobicContact CG-CE2 4.16Å; L692-F697 HydrophobicContact CG-CZ 4.38Å; T694-F697 HydrophobicContact CG2-CD1 4.43Å; T694-F697 HydrophobicContact CG2-CE1 3.83Å; T694-F697 HydrophobicContact CG2-CE2 4.18Å; T694-F697 HydrophobicContact CG2-CZ 3.69Å; T694-F697 PolarHBondContact N-O 3.28Å; T694-F697 PolarHBondContact O-N 3.01Å; T694-F697 WeakPolarHBondContact OG1-CD1 3.12Å; T694-F697 WeakPolarHBondContact OG1-CE1 3.43Å; T694-F697 PolarHBondContact OG1-N 2.8Å; T694-F697 VanDerWaalsContact OG1-N 3.09Å; T694-F697 PolarHBondContact OG1-O 2.88Å | ||
| 698 | R | 91.2 | Very high | 87.3 | Confident | 174 Ų | 174 | 74 Ų | 74 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 108 | 169 | 174.4 | 175.4 | 179.8 | -176.5 | 0.6 | 108.6 | P691 L692 I693 | P691-R698 HydrophobicContact CB-CG 4.19Å; L692-R698 WeakPolarHBondContact O-CA 3.21Å; I693-R698 HydrophobicContact CG1-CG 4.2Å |
| 699 | S | 89.6 | Confident | 86.3 | Confident | 11 Ų | 11 | 73.9 Ų | 73.9 | 8% | 0.077 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 146.3 | -178 | -166.1 | 0 | 0 | 0 | 0 | 112.7 | P691 L692 | P691-S699 WeakPolarHBondContact CA-O 3.41Å; L692-S699 PolarHBondContact N-O 2.87Å; L692-S699 PolarHBondContact O-N 3.5Å; L692-S699 VanDerWaalsContact O-N 3.15Å |
| 700 | K | 92.6 | Very high | 85.5 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 39% | 0.391 | 36% | 0.357 | S | S | . | . | trans | -82.4 | 154.8 | 164 | -64.6 | -175.5 | -176.9 | -165.5 | 0 | 109.5 | K689 P691 R702 | K689-K700 WeakPolarHBondContact O-CE 3.3Å; K689-K700 PolarHBondContact O-NZ 3.33Å; P691-K700 HydrophobicContact CB-CG 3.95Å; K700-R702 PolarHBondContact O-N 2.94Å | ||
| 701 | L | 95 | Very high | 85 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | trans | -78.9 | 107.3 | 168.7 | -54.7 | -175.8 | 0 | 0 | 0 | 107.8 | F631 L645 L647 I684 Y687 Q688 | F631-L701 HydrophobicContact CB-CD2 4.03Å; F631-L701 HydrophobicContact CD1-CB 3.69Å; F631-L701 HydrophobicContact CD1-CD2 4.41Å; F631-L701 HydrophobicContact CD2-CB 4.21Å; F631-L701 HydrophobicContact CD2-CD1 3.99Å; F631-L701 HydrophobicContact CD2-CD2 4.19Å; F631-L701 HydrophobicContact CD2-CG 4.35Å; F631-L701 HydrophobicContact CE1-CB 3.66Å; F631-L701 HydrophobicContact CE2-CB 4.16Å; F631-L701 HydrophobicContact CE2-CD1 3.97Å; F631-L701 HydrophobicContact CG-CB 3.98Å; F631-L701 HydrophobicContact CG-CD1 4.47Å; F631-L701 HydrophobicContact CG-CD2 3.94Å; F631-L701 HydrophobicContact CG-CG 4.34Å; F631-L701 HydrophobicContact CZ-CB 3.9Å; F631-L701 HydrophobicContact CZ-CD1 4.45Å; L645-L701 HydrophobicContact CD1-CD1 4.16Å; L645-L701 HydrophobicContact CD1-CD2 3.98Å; L645-L701 HydrophobicContact CD2-CD1 4.43Å; L645-L701 HydrophobicContact CD2-CD2 3.97Å; L647-L701 HydrophobicContact CD1-CD2 3.87Å; L647-L701 HydrophobicContact CD2-CD2 4.44Å; I684-L701 HydrophobicContact CD1-CD1 3.91Å; I684-L701 HydrophobicContact CG2-CD1 3.99Å; Y687-L701 PolarHBondContact O-N 2.9Å; Q688-L701 WeakPolarHBondContact CA-O 3.45Å; Q688-L701 HydrophobicContact CG-CB 3.87Å; Q688-L701 WeakPolarHBondContact CG-O 3.37Å | ||
| 702 | R | 91.2 | Very high | 84.5 | Confident | 180 Ų | 180 | 70.3 Ų | 70.3 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | trans | -98.4 | -60.3 | -171.4 | -71.1 | -170.3 | 176.7 | -177.4 | -1.7 | 112 | G629 K700 | G629-R702 PolarHBondContact O-N 2.75Å; K700-R702 PolarHBondContact O-N 2.94Å | ||
| 703 | T | 90.5 | Very high | 84 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.1 | -170.5 | -46.8 | 0 | 0 | 0 | 0 | 108.8 | L626 G629 L630 F631 C705 | L626-T703 HydrophobicContact CB-CG2 4.25Å; L626-T703 HydrophobicContact CD1-CG2 4.35Å; G629-T703 PolarHBondContact O-N 3.2Å; L630-T703 VanDerWaalsContact CA-O 3.29Å; L630-T703 WeakPolarHBondContact CA-O 3.47Å; L630-T703 HydrophobicContact CD1-CG2 4.2Å; L630-T703 WeakPolarHBondContact CD1-O 3.16Å; F631-T703 WeakPolarHBondContact CD1-O 3.41Å; F631-T703 PolarHBondContact N-O 2.82Å; T703-C705 PolarHBondContact O-N 3.37Å |
| 704 | P | 91.5 | Very high | 84.1 | Confident | 34 Ų | 34 | 72.1 Ų | 72.1 | 22% | 0.221 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 133.2 | 166.9 | -26.8 | 37.5 | 0 | 0 | 0 | 110.6 | E605 W606 F631 | E605-P704 HydrophobicContact CB-CB 4.04Å; W606-P704 HydrophobicContact CB-CB 3.88Å; W606-P704 HydrophobicContact CB-CG 4.48Å; F631-P704 HydrophobicContact CE1-CG 4.19Å; F631-P704 HydrophobicContact CZ-CG 4.27Å |
| 705 | C | 88.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 126.6 | 175.5 | -161.9 | 0 | 0 | 0 | 0 | 109.9 | H608 L620 L630 F631 L632 T703 | H608-C705 PolarHBondContact NE2-O 3.25Å; L620-C705 HydrophobicContact CD2-CB 3.98Å; L630-C705 HydrophobicContact CD1-CB 3.82Å; L630-C705 HydrophobicContact CG-CB 4.09Å; F631-C705 WeakPolarHBondContact O-CB 3.28Å; F631-C705 PolarHBondContact O-N 2.97Å; L632-C705 HydrophobicContact CB-CB 4.14Å; L632-C705 HydrophobicContact CD2-CB 4.35Å; T703-C705 PolarHBondContact O-N 3.37Å |
| 706 | P | 80.6 | Confident | 84.8 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 144.4 | -178.5 | 23.6 | -32.8 | 0 | 0 | 0 | 111.4 | H608 N623 L626 | H608-P706 PolarHBondContact CE1-O 3.42Å; N623-P706 WeakPolarHBondContact OD1-CG 3.47Å; L626-P706 HydrophobicContact CD1-CG 4.21Å |
| 707 | Q | 75.1 | Confident | 85.3 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 147 | 177.4 | -65.4 | -178.8 | 37.5 | 0 | 0 | 110.5 | E604 F607 | E604-Q707 PolarHBondContact O-NE2 3.31Å; F607-Q707 PolarHBondContact O-NE2 3.05Å |
| 708 | P | 69.5 | Low | 85.3 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 51% | 0.506 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 141 | 177.3 | 23.5 | -31 | 0 | 0 | 0 | 111.6 | P710 | P708-P710 WeakPolarHBondContact O-CD 3.45Š|
| 709 | C | 71.9 | Confident | 85 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | trans | -105.9 | 74.3 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | H711 I712 | C709-H711 PolarHBondContact O-N 3.31Å; C709-I712 HydrophobicContact CB-CD1 3.64Å; C709-I712 HydrophobicContact CB-CG1 4.01Å; C709-I712 PolarHBondContact O-N 3.29Å | ||
| 710 | P | 73.2 | Confident | 84.8 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11 | -171.7 | 28.9 | -37.6 | 0 | 0 | 0 | 114.4 | P708 I712 N781 | P708-P710 WeakPolarHBondContact O-CD 3.45Å; P710-I712 VanDerWaalsContact C-N 3.28Å; P710-N781 PolarHBondContact O-ND2 3.44Å |
| 711 | H | 79.6 | Confident | 84.6 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16.7 | 178.1 | 58.5 | -93.5 | 0 | 0 | 0 | 112.8 | C709 G713 E714 W716 F717 F748 L780 N781 | C709-H711 PolarHBondContact O-N 3.31Å; H711-G713 PolarHBondContact O-N 3Å; H711-E714 WeakPolarHBondContact O-CB 3.29Å; H711-E714 PolarHBondContact O-N 3.48Å; H711-W716 HydrophobicContact CB-CH2 3.48Å; H711-W716 VanDerWaalsContact CB-CH2 3.48Å; H711-W716 HydrophobicContact CB-CZ2 4.37Å; H711-W716 HydrophobicContact CB-CZ3 3.97Å; H711-F717 AromaticContact CD2-CD1 3.96Å; H711-F717 AromaticContact CD2-CD2 3.75Å; H711-F717 AromaticContact CD2-CE1 3.73Å; H711-F717 AromaticContact CD2-CE2 3.52Å; H711-F717 AromaticContact CD2-CG 3.97Å; H711-F717 AromaticContact CD2-CZ 3.51Å; H711-F717 AromaticContact NE2-CZ 3.83Å; H711-F717 VanDerWaalsContact O-CB 3.3Å; H711-F717 WeakPolarHBondContact O-CB 3.28Å; H711-F748 AromaticContact NE2-CE1 3.9Å; H711-L780 HydrophobicContact CB-CB 4.19Å; H711-L780 HydrophobicContact CB-CD1 4.21Å; H711-N781 WeakPolarHBondContact CA-OD1 3.18Å; H711-N781 PolarHBondContact N-OD1 3.02Å |
| 712 | I | 80.4 | Confident | 84.3 | Confident | 121 Ų | 121 | 58.5 Ų | 58.5 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 118.8 | 177.5 | -60.8 | 176.1 | 0 | 0 | 0 | 108.7 | C709 P710 | C709-I712 HydrophobicContact CB-CD1 3.64Å; C709-I712 HydrophobicContact CB-CG1 4.01Å; C709-I712 PolarHBondContact O-N 3.29Å; P710-I712 VanDerWaalsContact C-N 3.28Å |
| 713 | G | 79.4 | Confident | 84.1 | Confident | 71 Ų | 71 | 52.9 Ų | 52.9 | 73% | 0.732 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.4 | -4.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H711 | H711-G713 PolarHBondContact O-N 3Š|
| 714 | E | 88.8 | Confident | 83.9 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | trans | -72 | 145.6 | 175.1 | -74.3 | -76 | 146.4 | 0 | 0 | 112 | H711 W716 F717 N781 N803 | H711-E714 WeakPolarHBondContact O-CB 3.29Å; H711-E714 PolarHBondContact O-N 3.48Å; E714-W716 HydrophobicContact CB-CD2 3.99Å; E714-W716 VanDerWaalsContact CB-CE2 3.46Å; E714-W716 HydrophobicContact CB-CG 4.4Å; E714-W716 HydrophobicContact CB-CH2 4.34Å; E714-W716 HydrophobicContact CB-CZ2 3.67Å; E714-W716 HydrophobicContact CG-CH2 4.39Å; E714-W716 HydrophobicContact CG-CZ2 3.61Å; E714-W716 PolarHBondContact O-N 3.16Å; E714-W716 PolarHBondContact OE2-NE1 3.18Å; E714-F717 HydrophobicContact CB-CB 4.42Å; E714-F717 PolarHBondContact O-N 3.28Å; E714-N781 WeakPolarHBondContact CG-ND2 3.37Å; E714-N781 PolarHBondContact OE1-ND2 3.19Å; E714-N803 PolarHBondContact O-ND2 2.8Å | ||
| 715 | P | 88.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 31% | 0.312 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.5 | -173.5 | 26.1 | -34.8 | 0 | 0 | 0 | 114.6 | P801 V802 N803 T806 | P715-P801 HydrophobicContact CB-CB 4.21Å; P715-P801 HydrophobicContact CB-CG 4.23Å; P715-P801 HydrophobicContact CG-CB 4.26Å; P715-P801 HydrophobicContact CG-CG 4.21Å; P715-V802 CarbonylContact O-C 3.6Å; P715-V802 VanDerWaalsContact O-C 3.29Å; P715-V802 PolarHBondContact O-N 3.14Å; P715-N803 WeakPolarHBondContact CA-ND2 3.37Å; P715-N803 WeakPolarHBondContact O-CB 3.37Å; P715-N803 VanDerWaalsContact O-CG 3.28Å; P715-N803 PolarHBondContact O-N 3.15Å; P715-N803 PolarHBondContact O-ND2 3.19Å; P715-T806 HydrophobicContact CB-CG2 3.71Å |
| 716 | W | 91.9 | Very high | 83.7 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 4% | 0.038 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -7.1 | 178.2 | 44.8 | -93.5 | 0 | 0 | 0 | 113.1 | H711 E714 F739 L740 I741 L780 N781 V784 P801 | H711-W716 HydrophobicContact CB-CH2 3.48Å; H711-W716 VanDerWaalsContact CB-CH2 3.48Å; H711-W716 HydrophobicContact CB-CZ2 4.37Å; H711-W716 HydrophobicContact CB-CZ3 3.97Å; E714-W716 HydrophobicContact CB-CD2 3.99Å; E714-W716 VanDerWaalsContact CB-CE2 3.46Å; E714-W716 HydrophobicContact CB-CG 4.4Å; E714-W716 HydrophobicContact CB-CH2 4.34Å; E714-W716 HydrophobicContact CB-CZ2 3.67Å; E714-W716 HydrophobicContact CG-CH2 4.39Å; E714-W716 HydrophobicContact CG-CZ2 3.61Å; E714-W716 PolarHBondContact O-N 3.16Å; E714-W716 PolarHBondContact OE2-NE1 3.18Å; W716-F739 HydrophobicContact CB-CD2 4.18Å; W716-F739 HydrophobicContact CB-CE2 3.42Å; W716-F739 VanDerWaalsContact CB-CE2 3.42Å; W716-F739 HydrophobicContact CB-CZ 3.71Å; W716-F739 AromaticContact CG-CE2 3.9Å; W716-F739 HydrophobicContact CG-CE2 3.9Å; W716-F739 HydrophobicContact CG-CZ 4.12Å; W716-L740 CarbonylContact O-C 3.45Å; W716-L740 VanDerWaalsContact O-CA 3.31Å; W716-L740 WeakPolarHBondContact O-CA 3.5Å; W716-I741 HydrophobicContact CE3-CB 4.04Å; W716-I741 HydrophobicContact CE3-CD1 3.82Å; W716-I741 HydrophobicContact CE3-CG1 4.03Å; W716-I741 HydrophobicContact CZ3-CB 4.21Å; W716-I741 HydrophobicContact CZ3-CD1 3.74Å; W716-I741 HydrophobicContact CZ3-CG1 4.31Å; W716-I741 PolarHBondContact O-N 3.24Å; W716-L780 HydrophobicContact CH2-CB 3.71Å; W716-L780 HydrophobicContact CZ3-CB 3.96Å; W716-N781 HydrophobicContact CZ2-CB 4.23Å; W716-V784 HydrophobicContact CD2-CB 4.45Å; W716-V784 HydrophobicContact CD2-CG1 4.39Å; W716-V784 HydrophobicContact CD2-CG2 3.72Å; W716-V784 HydrophobicContact CE3-CG2 3.88Å; W716-V784 HydrophobicContact CG-CG1 4.24Å; W716-V784 HydrophobicContact CG-CG2 4.25Å; W716-V784 HydrophobicContact CH2-CG2 4.19Å; W716-V784 HydrophobicContact CZ2-CB 4.36Å; W716-V784 HydrophobicContact CZ2-CG2 4.05Å; W716-V784 HydrophobicContact CZ3-CG2 4.13Å; W716-P801 HydrophobicContact CB-CB 3.59Å; W716-P801 HydrophobicContact CG-CB 4.35Å |
| 717 | F | 92.7 | Very high | 84.1 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 13% | 0.127 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 113.4 | 179.8 | -170.6 | -108.6 | 0 | 0 | 0 | 109.8 | H711 E714 I741 F748 L780 | H711-F717 AromaticContact CD2-CD1 3.96Å; H711-F717 AromaticContact CD2-CD2 3.75Å; H711-F717 AromaticContact CD2-CE1 3.73Å; H711-F717 AromaticContact CD2-CE2 3.52Å; H711-F717 AromaticContact CD2-CG 3.97Å; H711-F717 AromaticContact CD2-CZ 3.51Å; H711-F717 AromaticContact NE2-CZ 3.83Å; H711-F717 VanDerWaalsContact O-CB 3.3Å; H711-F717 WeakPolarHBondContact O-CB 3.28Å; E714-F717 HydrophobicContact CB-CB 4.42Å; E714-F717 PolarHBondContact O-N 3.28Å; F717-I741 HydrophobicContact CD2-CB 4.31Å; F717-I741 HydrophobicContact CD2-CG2 4.2Å; F717-I741 WeakPolarHBondContact CD2-O 3.39Å; F717-I741 HydrophobicContact CE2-CG2 4.35Å; F717-F748 HydrophobicContact CE2-CD1 4.07Å; F717-F748 AromaticContact CE2-CE1 3.88Å; F717-F748 HydrophobicContact CE2-CE1 3.88Å; F717-F748 HydrophobicContact CZ-CE1 4.2Å; F717-L780 HydrophobicContact CE2-CD1 4.5Å |
| 718 | A | 88.2 | Confident | 84.6 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 12% | 0.116 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -3.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I721 L740 I741 | A718-I721 HydrophobicContact CB-CD1 3.5Å; A718-I721 VanDerWaalsContact CB-CD1 3.5Å; A718-I721 HydrophobicContact CB-CG1 3.91Å; A718-L740 HydrophobicContact CB-CB 4.37Å; A718-L740 HydrophobicContact CB-CD1 4.13Å; A718-I741 PolarHBondContact N-O 3.36Å |
| 719 | G | 85.7 | Confident | 85.5 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.6 | -145.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I721 R742 S743 | G719-I721 PolarHBondContact O-N 3.46Å; G719-I721 VanDerWaalsContact O-N 3.13Å; G719-R742 CarbonylContact O-C 3.5Å; G719-R742 VanDerWaalsContact O-CA 3.28Å; G719-R742 WeakPolarHBondContact O-CA 3.37Å; G719-R742 WeakPolarHBondContact O-CB 3.4Å; G719-S743 PolarHBondContact O-N 2.9Å; G719-S743 PolarHBondContact O-OG 3.3Å |
| 720 | D | 85.9 | Confident | 86.3 | Confident | 126 Ų | 126 | 53 Ų | 53 | 67% | 0.674 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -83.6 | 83.6 | -178.7 | -170.2 | 10.9 | 0 | 0 | 0 | 111.3 | S743 | D720-S743 WeakPolarHBondContact CA-O 3.5Š|
| 721 | I | 88.1 | Confident | 86.9 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | trans | -124.1 | 149.6 | 173.3 | 63.7 | 162.8 | 0 | 0 | 0 | 111 | A718 G719 K725 A726 M729 L740 R742 | A718-I721 HydrophobicContact CB-CD1 3.5Å; A718-I721 VanDerWaalsContact CB-CD1 3.5Å; A718-I721 HydrophobicContact CB-CG1 3.91Å; G719-I721 PolarHBondContact O-N 3.46Å; G719-I721 VanDerWaalsContact O-N 3.13Å; I721-K725 HydrophobicContact CB-CB 4.36Å; I721-K725 HydrophobicContact CB-CG 4.5Å; I721-A726 HydrophobicContact CD1-CB 4Å; I721-M729 HydrophobicContact CD1-SD 3.7Å; I721-L740 HydrophobicContact CD1-CD1 4.15Å; I721-L740 HydrophobicContact CD1-CD2 4.4Å; I721-R742 HydrophobicContact CD1-CB 4.38Å; I721-R742 HydrophobicContact CG1-CB 3.59Å; I721-R742 HydrophobicContact CG1-CG 4.45Å; I721-R742 WeakPolarHBondContact O-CD 3.25Å; I721-R742 PolarHBondContact O-NH1 3.14Å; I721-R742 VanDerWaalsContact O-NH1 3.14Å | ||
| 722 | D | 88.1 | Confident | 87 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | trans | -79.6 | 178.3 | 176.7 | 71.2 | 22.1 | 0 | 0 | 0 | 112.5 | Q724 K725 A726 | D722-Q724 PolarHBondContact OD1-N 3.13Å; D722-K725 WeakPolarHBondContact OD1-CB 3.46Å; D722-K725 PolarHBondContact OD1-N 3.41Å; D722-A726 WeakPolarHBondContact O-CB 3.37Å; D722-A726 PolarHBondContact O-N 3.35Å | ||
| 723 | K | 86.7 | Confident | 87 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 27% | 0.274 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 179 | 180 | -173.7 | 166.6 | -174.1 | 0 | 111.6 | A726 E727 G820 Y822 | K723-A726 PolarHBondContact O-N 2.89Å; K723-E727 WeakPolarHBondContact CE-OE1 3.22Å; K723-E727 IonicContact NZ-OE1 2.71Å; K723-E727 WeakPolarHBondContact O-CG 3.4Å; K723-E727 PolarHBondContact O-N 3.31Å; K723-G820 WeakPolarHBondContact CE-O 3.35Å; K723-G820 PolarHBondContact NZ-O 3.48Å; K723-Y822 HydrophobicContact CD-CE2 4.21Å |
| 724 | Q | 86 | Confident | 87.1 | Confident | 128 Ų | 128 | 47.2 Ų | 47.2 | 60% | 0.598 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66 | -44.8 | -174.2 | -177.1 | 174.3 | -6.4 | 0 | 0 | 110.5 | D722 A726 E727 E728 | D722-Q724 PolarHBondContact OD1-N 3.13Å; Q724-A726 VanDerWaalsContact C-N 3.33Å; Q724-A726 PolarHBondContact O-N 2.87Å; Q724-E727 PolarHBondContact O-N 3.46Å; Q724-E728 WeakPolarHBondContact O-CG 3.16Å; Q724-E728 PolarHBondContact O-N 3.48Å |
| 725 | K | 88 | Confident | 86.9 | Confident | 99 Ų | 99 | 48 Ų | 48 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 177 | -165.4 | 50.9 | 163.6 | 178.5 | 0 | 112.2 | I721 D722 E727 E728 M729 | I721-K725 HydrophobicContact CB-CB 4.36Å; I721-K725 HydrophobicContact CB-CG 4.5Å; D722-K725 WeakPolarHBondContact OD1-CB 3.46Å; D722-K725 PolarHBondContact OD1-N 3.41Å; K725-E727 VanDerWaalsContact C-N 3.31Å; K725-E727 PolarHBondContact O-N 2.82Å; K725-E728 WeakPolarHBondContact CD-OE2 3.31Å; K725-E728 IonicContact NZ-OE2 3.1Å; K725-E728 PolarHBondContact NZ-OE2 2.88Å; K725-E728 PolarHBondContact O-N 3.47Å; K725-M729 HydrophobicContact CG-SD 4.28Å; K725-M729 WeakPolarHBondContact O-CB 3.32Å; K725-M729 WeakPolarHBondContact O-CG 3.29Å; K725-M729 PolarHBondContact O-N 2.91Å |
| 726 | A | 88.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I721 D722 K723 Q724 M729 L730 L740 | I721-A726 HydrophobicContact CD1-CB 4Å; D722-A726 WeakPolarHBondContact O-CB 3.37Å; D722-A726 PolarHBondContact O-N 3.35Å; K723-A726 PolarHBondContact O-N 2.89Å; Q724-A726 VanDerWaalsContact C-N 3.33Å; Q724-A726 PolarHBondContact O-N 2.87Å; A726-M729 PolarHBondContact O-N 3.23Å; A726-L730 WeakPolarHBondContact O-CB 3.31Å; A726-L730 WeakPolarHBondContact O-CG 3.49Å; A726-L730 PolarHBondContact O-N 2.77Å; A726-L740 HydrophobicContact CB-CD1 3.98Å; A726-L740 HydrophobicContact CB-CD2 4.2Å |
| 727 | E | 89.5 | Confident | 86.5 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.9 | -42.8 | 176.3 | -72 | 179.3 | -175.6 | 0 | 0 | 112.5 | K723 Q724 K725 M729 L730 N731 I758 H760 G820 | K723-E727 WeakPolarHBondContact CE-OE1 3.22Å; K723-E727 IonicContact NZ-OE1 2.71Å; K723-E727 WeakPolarHBondContact O-CG 3.4Å; K723-E727 PolarHBondContact O-N 3.31Å; Q724-E727 PolarHBondContact O-N 3.46Å; K725-E727 VanDerWaalsContact C-N 3.31Å; K725-E727 PolarHBondContact O-N 2.82Å; E727-M729 VanDerWaalsContact C-N 3.28Å; E727-M729 PolarHBondContact O-N 2.92Å; E727-L730 PolarHBondContact O-N 3.04Å; E727-N731 WeakPolarHBondContact O-CB 3.34Å; E727-N731 VanDerWaalsContact O-CG 3.28Å; E727-N731 PolarHBondContact O-N 2.96Å; E727-N731 PolarHBondContact O-ND2 2.83Å; E727-I758 HydrophobicContact CB-CD1 4.07Å; E727-I758 HydrophobicContact CG-CD1 4.06Å; E727-I758 HydrophobicContact CG-CG2 4.17Å; E727-H760 IonicContact OE1-NE2 2.66Å; E727-H760 PolarHBondContact OE1-NE2 3.26Å; E727-G820 VanDerWaalsContact CD-N 3.34Å; E727-G820 WeakPolarHBondContact OE1-CA 3.36Å; E727-G820 PolarHBondContact OE1-N 3.22Å |
| 728 | E | 86 | Confident | 86.5 | Confident | 81 Ų | 81 | 46.2 Ų | 46.2 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.4 | -47.3 | 172 | -72.4 | 172.8 | -169.4 | 0 | 0 | 111 | Q724 K725 N731 L732 | Q724-E728 WeakPolarHBondContact O-CG 3.16Å; Q724-E728 PolarHBondContact O-N 3.48Å; K725-E728 WeakPolarHBondContact CD-OE2 3.31Å; K725-E728 IonicContact NZ-OE2 3.1Å; K725-E728 PolarHBondContact NZ-OE2 2.88Å; K725-E728 PolarHBondContact O-N 3.47Å; E728-N731 PolarHBondContact O-N 2.9Å; E728-L732 WeakPolarHBondContact O-CG 3.48Å; E728-L732 PolarHBondContact O-N 2.81Å |
| 729 | M | 88 | Confident | 86.8 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | -179.8 | -72.7 | 175.6 | 78.7 | 0 | 0 | 112.6 | I721 K725 A726 E727 N731 L732 L740 V802 I807 | I721-M729 HydrophobicContact CD1-SD 3.7Å; K725-M729 HydrophobicContact CG-SD 4.28Å; K725-M729 WeakPolarHBondContact O-CB 3.32Å; K725-M729 WeakPolarHBondContact O-CG 3.29Å; K725-M729 PolarHBondContact O-N 2.91Å; A726-M729 PolarHBondContact O-N 3.23Å; E727-M729 VanDerWaalsContact C-N 3.28Å; E727-M729 PolarHBondContact O-N 2.92Å; M729-N731 VanDerWaalsContact C-N 3.32Å; M729-L732 PolarHBondContact O-N 2.73Å; M729-L740 HydrophobicContact CB-CD2 4.09Å; M729-L740 HydrophobicContact CE-CD2 4.5Å; M729-L740 HydrophobicContact SD-CD2 4.37Å; M729-V802 HydrophobicContact CB-CG1 4.18Å; M729-V802 HydrophobicContact CE-CG1 4.32Å; M729-I807 HydrophobicContact CB-CD1 3.47Å; M729-I807 VanDerWaalsContact CB-CD1 3.47Å; M729-I807 HydrophobicContact CE-CD1 3.74Å; M729-I807 HydrophobicContact CG-CD1 3.43Å; M729-I807 VanDerWaalsContact CG-CD1 3.43Å; M729-I807 HydrophobicContact SD-CD1 4.45Å |
| 730 | L | 88.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.1 | -23 | 177.7 | -71.2 | 172.5 | 0 | 0 | 0 | 112.9 | A726 E727 L732 Y733 A738 L740 R753 I758 V802 | A726-L730 WeakPolarHBondContact O-CB 3.31Å; A726-L730 WeakPolarHBondContact O-CG 3.49Å; A726-L730 PolarHBondContact O-N 2.77Å; E727-L730 PolarHBondContact O-N 3.04Å; L730-L732 VanDerWaalsContact C-N 3.35Å; L730-Y733 CarbonylContact O-C 3.59Å; L730-Y733 PolarHBondContact O-N 2.83Å; L730-A738 HydrophobicContact CD2-CB 4.22Å; L730-L740 HydrophobicContact CD2-CD2 4.47Å; L730-L740 HydrophobicContact CG-CD2 4.15Å; L730-R753 HydrophobicContact CB-CG 4.3Å; L730-R753 WeakPolarHBondContact O-CD 3.49Å; L730-R753 PolarHBondContact O-NH1 2.86Å; L730-I758 HydrophobicContact CB-CD1 3.77Å; L730-I758 HydrophobicContact CB-CG1 4.15Å; L730-I758 HydrophobicContact CD1-CG1 4.33Å; L730-I758 HydrophobicContact CD1-CG2 3.73Å; L730-V802 HydrophobicContact CD2-CB 4.49Å; L730-V802 HydrophobicContact CD2-CG2 4.22Å |
| 731 | N | 85.5 | Confident | 87.6 | Confident | 24 Ų | 24 | 39 Ų | 39 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.1 | -24.5 | 174.6 | -79.3 | -29.3 | 0 | 0 | 0 | 113.3 | E727 E728 M729 Y733 R753 L814 S817 | E727-N731 WeakPolarHBondContact O-CB 3.34Å; E727-N731 VanDerWaalsContact O-CG 3.28Å; E727-N731 PolarHBondContact O-N 2.96Å; E727-N731 PolarHBondContact O-ND2 2.83Å; E728-N731 PolarHBondContact O-N 2.9Å; M729-N731 VanDerWaalsContact C-N 3.32Å; N731-Y733 PolarHBondContact O-N 3.2Å; N731-R753 PolarHBondContact OD1-NH1 2.84Å; N731-L814 HydrophobicContact CB-CD1 4.47Å; N731-S817 WeakPolarHBondContact OD1-CB 3.37Å |
| 732 | L | 82.7 | Confident | 87.7 | Confident | 55 Ų | 55 | 38.1 Ų | 38.1 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.2 | 170.4 | -66.4 | 170.3 | 0 | 0 | 0 | 112.8 | E728 M729 L730 I807 S812 L814 | E728-L732 WeakPolarHBondContact O-CG 3.48Å; E728-L732 PolarHBondContact O-N 2.81Å; M729-L732 PolarHBondContact O-N 2.73Å; L730-L732 VanDerWaalsContact C-N 3.35Å; L732-I807 HydrophobicContact CD1-CD1 4.09Å; L732-I807 HydrophobicContact CD1-CG1 4.36Å; L732-I807 HydrophobicContact CD1-CG2 4.18Å; L732-S812 PolarHBondContact O-N 2.86Å; L732-L814 HydrophobicContact CD2-CD1 4.41Å |
| 733 | Y | 79.1 | Confident | 87.4 | Confident | 31 Ų | 31 | 35 Ų | 35 | 12% | 0.122 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -129 | 73.3 | -178.6 | -152.4 | -80.5 | 0 | 0 | 0 | 111.1 | L730 N731 L735 A738 R753 Y800 Y810 | L730-Y733 CarbonylContact O-C 3.59Å; L730-Y733 PolarHBondContact O-N 2.83Å; N731-Y733 PolarHBondContact O-N 3.2Å; Y733-L735 HydrophobicContact CD1-CB 4.11Å; Y733-L735 HydrophobicContact CD1-CD1 4.31Å; Y733-L735 HydrophobicContact CD1-CG 4.4Å; Y733-L735 HydrophobicContact CE1-CB 4.02Å; Y733-L735 HydrophobicContact CE1-CD1 3.6Å; Y733-L735 HydrophobicContact CE1-CG 4.15Å; Y733-L735 PolarHBondContact O-N 2.88Å; Y733-A738 HydrophobicContact CD1-CB 3.73Å; Y733-A738 HydrophobicContact CE1-CB 4.43Å; Y733-R753 WeakPolarHBondContact O-CD 3.39Å; Y733-Y800 HydrophobicContact CE1-CD1 4.14Å; Y733-Y800 HydrophobicContact CE1-CD2 4Å; Y733-Y800 AromaticContact CE1-CG 3.58Å; Y733-Y800 HydrophobicContact CE1-CG 3.58Å; Y733-Y810 AromaticContact CE2-CD2 3.72Å; Y733-Y810 HydrophobicContact CE2-CD2 3.72Å; Y733-Y810 AromaticContact CE2-CG 3.67Å; Y733-Y810 HydrophobicContact CE2-CG 3.67Å |
| 734 | P | 81.4 | Confident | 86.7 | Confident | 51 Ų | 51 | 35.8 Ų | 35.8 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | trans | -78.4 | 45.6 | -168.3 | 34 | -37.8 | 0 | 0 | 0 | 114.2 | ||||
| 735 | L | 84.2 | Confident | 85.6 | Confident | 82 Ų | 82 | 36.8 Ų | 36.8 | 43% | 0.429 | 19% | 0.189 | S | C | . | . | trans | -109.5 | 132.5 | 176.8 | -67.5 | 177 | 0 | 0 | 0 | 111 | Y733 G737 A738 Y800 | Y733-L735 HydrophobicContact CD1-CB 4.11Å; Y733-L735 HydrophobicContact CD1-CD1 4.31Å; Y733-L735 HydrophobicContact CD1-CG 4.4Å; Y733-L735 HydrophobicContact CE1-CB 4.02Å; Y733-L735 HydrophobicContact CE1-CD1 3.6Å; Y733-L735 HydrophobicContact CE1-CG 4.15Å; Y733-L735 PolarHBondContact O-N 2.88Å; L735-G737 PolarHBondContact O-N 2.77Å; L735-A738 WeakPolarHBondContact O-CB 3.45Å; L735-A738 PolarHBondContact O-N 2.81Å; L735-Y800 HydrophobicContact CB-CD2 3.87Å; L735-Y800 HydrophobicContact CB-CE2 3.81Å; L735-Y800 HydrophobicContact CD1-CD2 4.46Å; L735-Y800 HydrophobicContact CD1-CE2 4.21Å | ||
| 736 | D | 86.1 | Confident | 84.6 | Confident | 50 Ų | 50 | 40.8 Ų | 40.8 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 131 | 172.9 | -84.5 | 4.9 | 0 | 0 | 0 | 110.9 | D755 G756 I796 Y800 | D736-D755 VanDerWaalsContact CG-N 3.31Å; D736-D755 PolarHBondContact OD1-N 3.49Å; D736-D755 VanDerWaalsContact OD1-N 3.16Å; D736-D755 WeakPolarHBondContact OD2-CA 3.25Å; D736-D755 PolarHBondContact OD2-N 2.98Å; D736-G756 PolarHBondContact OD1-N 2.93Å; D736-I796 HydrophobicContact CB-CD1 3.77Å; D736-Y800 WeakPolarHBondContact O-CE2 3.4Å |
| 737 | G | 86.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 0.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L735 R753 C797 K799 Y800 | L735-G737 PolarHBondContact O-N 2.77Å; G737-R753 PolarHBondContact N-O 2.91Å; G737-C797 WeakPolarHBondContact CA-O 3.27Å; G737-K799 PolarHBondContact O-N 3.21Å; G737-Y800 PolarHBondContact O-N 3Å; G737-Y800 VanDerWaalsContact O-N 3.08Å |
| 738 | A | 91.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 137.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L730 Y733 L735 F752 R753 Y800 V802 | L730-A738 HydrophobicContact CD2-CB 4.22Å; Y733-A738 HydrophobicContact CD1-CB 3.73Å; Y733-A738 HydrophobicContact CE1-CB 4.43Å; L735-A738 WeakPolarHBondContact O-CB 3.45Å; L735-A738 PolarHBondContact O-N 2.81Å; A738-F752 CarbonylContact O-C 3.47Å; A738-F752 WeakPolarHBondContact O-CA 3.45Å; A738-R753 PolarHBondContact O-N 3.47Å; A738-Y800 CarbonylContact C-O 3.42Å; A738-Y800 VanDerWaalsContact CA-O 3.27Å; A738-Y800 WeakPolarHBondContact CA-O 3.36Å; A738-Y800 HydrophobicContact CB-CD2 4.46Å; A738-V802 HydrophobicContact CB-CG2 4.44Å |
| 739 | F | 95.6 | Very high | 84 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 159.6 | -171.5 | 76.6 | -75.2 | 0 | 0 | 0 | 114.2 | W716 L750 S751 F752 V784 L798 Y800 P801 V802 | W716-F739 HydrophobicContact CB-CD2 4.18Å; W716-F739 HydrophobicContact CB-CE2 3.42Å; W716-F739 VanDerWaalsContact CB-CE2 3.42Å; W716-F739 HydrophobicContact CB-CZ 3.71Å; W716-F739 AromaticContact CG-CE2 3.9Å; W716-F739 HydrophobicContact CG-CE2 3.9Å; W716-F739 HydrophobicContact CG-CZ 4.12Å; F739-L750 HydrophobicContact CB-CD1 4.28Å; F739-L750 HydrophobicContact CD2-CD1 3.83Å; F739-L750 HydrophobicContact CG-CD1 4.5Å; F739-S751 CarbonylContact C-O 3.57Å; F739-S751 WeakPolarHBondContact CA-O 3.5Å; F739-F752 HydrophobicContact CB-CB 3.69Å; F739-V784 HydrophobicContact CE2-CG1 3.83Å; F739-V784 HydrophobicContact CE2-CG2 3.89Å; F739-V784 HydrophobicContact CZ-CG1 3.62Å; F739-L798 HydrophobicContact CB-CD2 3.72Å; F739-L798 HydrophobicContact CD1-CB 3.79Å; F739-L798 HydrophobicContact CD1-CD2 4.04Å; F739-L798 HydrophobicContact CD1-CG 4.4Å; F739-L798 HydrophobicContact CD2-CB 4.36Å; F739-L798 HydrophobicContact CD2-CD1 3.92Å; F739-L798 HydrophobicContact CD2-CD2 4Å; F739-L798 HydrophobicContact CD2-CG 4.32Å; F739-L798 HydrophobicContact CE1-CB 3.7Å; F739-L798 HydrophobicContact CE2-CB 4.27Å; F739-L798 HydrophobicContact CE2-CD1 3.93Å; F739-L798 HydrophobicContact CG-CB 4.14Å; F739-L798 HydrophobicContact CG-CD1 4.36Å; F739-L798 HydrophobicContact CG-CD2 3.65Å; F739-L798 HydrophobicContact CG-CG 4.26Å; F739-L798 HydrophobicContact CZ-CB 3.95Å; F739-L798 HydrophobicContact CZ-CD1 4.4Å; F739-Y800 WeakPolarHBondContact CD1-O 3.11Å; F739-Y800 PolarHBondContact N-O 3.12Å; F739-P801 HydrophobicContact CE1-CB 4Å; F739-P801 HydrophobicContact CZ-CB 4.01Å; F739-V802 PolarHBondContact O-N 3.34Å |
| 740 | L | 94.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.2 | 170.4 | 63.9 | 83.4 | 0 | 0 | 0 | 111 | W716 A718 I721 A726 M729 L730 R742 S751 V802 | W716-L740 CarbonylContact O-C 3.45Å; W716-L740 VanDerWaalsContact O-CA 3.31Å; W716-L740 WeakPolarHBondContact O-CA 3.5Å; A718-L740 HydrophobicContact CB-CB 4.37Å; A718-L740 HydrophobicContact CB-CD1 4.13Å; I721-L740 HydrophobicContact CD1-CD1 4.15Å; I721-L740 HydrophobicContact CD1-CD2 4.4Å; A726-L740 HydrophobicContact CB-CD1 3.98Å; A726-L740 HydrophobicContact CB-CD2 4.2Å; M729-L740 HydrophobicContact CB-CD2 4.09Å; M729-L740 HydrophobicContact CE-CD2 4.5Å; M729-L740 HydrophobicContact SD-CD2 4.37Å; L730-L740 HydrophobicContact CD2-CD2 4.47Å; L730-L740 HydrophobicContact CG-CD2 4.15Å; L740-R742 HydrophobicContact CD1-CB 4.22Å; L740-R742 HydrophobicContact CD1-CG 4.48Å; L740-S751 PolarHBondContact N-O 3.28Å; L740-S751 PolarHBondContact O-N 2.67Å; L740-V802 HydrophobicContact CB-CB 4.41Å; L740-V802 WeakPolarHBondContact CB-O 3.48Å; L740-V802 HydrophobicContact CD2-CG1 4.42Å |
| 741 | I | 93.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.7 | 170.3 | -61 | -176.8 | 0 | 0 | 0 | 108.6 | W716 F717 A718 F748 I749 L750 L763 L780 V784 | W716-I741 HydrophobicContact CE3-CB 4.04Å; W716-I741 HydrophobicContact CE3-CD1 3.82Å; W716-I741 HydrophobicContact CE3-CG1 4.03Å; W716-I741 HydrophobicContact CZ3-CB 4.21Å; W716-I741 HydrophobicContact CZ3-CD1 3.74Å; W716-I741 HydrophobicContact CZ3-CG1 4.31Å; W716-I741 PolarHBondContact O-N 3.24Å; F717-I741 HydrophobicContact CD2-CB 4.31Å; F717-I741 HydrophobicContact CD2-CG2 4.2Å; F717-I741 WeakPolarHBondContact CD2-O 3.39Å; F717-I741 HydrophobicContact CE2-CG2 4.35Å; A718-I741 PolarHBondContact N-O 3.36Å; I741-F748 HydrophobicContact CG2-CB 4.32Å; I741-F748 HydrophobicContact CG2-CD1 4.27Å; I741-I749 WeakPolarHBondContact CA-O 3.01Å; I741-L750 HydrophobicContact CD1-CD1 4.28Å; I741-L750 HydrophobicContact CG1-CB 4.35Å; I741-L750 HydrophobicContact CG1-CD1 3.73Å; I741-L763 HydrophobicContact CD1-CD1 4.31Å; I741-L763 HydrophobicContact CG2-CD1 4.48Å; I741-L780 HydrophobicContact CD1-CD2 4.32Å; I741-L780 HydrophobicContact CG2-CD1 4.3Å; I741-V784 HydrophobicContact CD1-CG2 3.81Å |
| 742 | R | 90.3 | Very high | 84.6 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 3% | 0.034 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 153.9 | 176.5 | 66.2 | -167.2 | -174.5 | 79.2 | 2.9 | 111 | G719 I721 L740 F748 I749 Y822 | G719-R742 CarbonylContact O-C 3.5Å; G719-R742 VanDerWaalsContact O-CA 3.28Å; G719-R742 WeakPolarHBondContact O-CA 3.37Å; G719-R742 WeakPolarHBondContact O-CB 3.4Å; I721-R742 HydrophobicContact CD1-CB 4.38Å; I721-R742 HydrophobicContact CG1-CB 3.59Å; I721-R742 HydrophobicContact CG1-CG 4.45Å; I721-R742 WeakPolarHBondContact O-CD 3.25Å; I721-R742 PolarHBondContact O-NH1 3.14Å; I721-R742 VanDerWaalsContact O-NH1 3.14Å; L740-R742 HydrophobicContact CD1-CB 4.22Å; L740-R742 HydrophobicContact CD1-CG 4.48Å; R742-F748 CarbonylContact O-C 3.4Å; R742-F748 WeakPolarHBondContact O-CA 3.28Å; R742-I749 HydrophobicContact CG-CB 3.96Å; R742-I749 PolarHBondContact N-O 3.25Å; R742-I749 VanDerWaalsContact NH2-CD1 3.27Å; R742-I749 PolarHBondContact O-N 3.49Å; R742-Y822 PolarHBondContact NH2-OH 3.32Å |
| 743 | S | 82.8 | Confident | 84.9 | Confident | 26 Ų | 26 | 36 Ų | 36 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.2 | -178.8 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | G719 D720 T747 | G719-S743 PolarHBondContact O-N 2.9Å; G719-S743 PolarHBondContact O-OG 3.3Å; D720-S743 WeakPolarHBondContact CA-O 3.5Å; S743-T747 CarbonylContact C-O 3.44Å; S743-T747 WeakPolarHBondContact CA-O 3.48Å |
| 744 | N | 70.2 | Confident | 85.1 | Confident | 81 Ų | 81 | 34.6 Ų | 34.6 | 43% | 0.433 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 121.1 | 166.9 | -179.7 | -3.1 | 0 | 0 | 0 | 108.6 | K746 T747 | N744-K746 VanDerWaalsContact C-N 3.32Å; N744-K746 PolarHBondContact O-N 2.83Å; N744-K746 VanDerWaalsContact O-N 3.12Å; N744-T747 PolarHBondContact N-O 2.77Å; N744-T747 WeakPolarHBondContact O-CB 3.23Å; N744-T747 PolarHBondContact O-N 2.96Å |
| 745 | D | 64.2 | Low | 84.8 | Confident | 148 Ų | 148 | 35.1 Ų | 35.1 | 79% | 0.791 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 50 | 173.2 | -72.3 | -20.7 | 0 | 0 | 0 | 114.7 | ||
| 746 | K | 66.1 | Low | 84.5 | Confident | 184 Ų | 184 | 32.7 Ų | 32.7 | 80% | 0.8 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 2 | -177.6 | -47.7 | 177.9 | 178.5 | -175 | 0 | 116.8 | N744 | N744-K746 VanDerWaalsContact C-N 3.32Å; N744-K746 PolarHBondContact O-N 2.83Å; N744-K746 VanDerWaalsContact O-N 3.12Å |
| 747 | T | 75.7 | Confident | 84.3 | Confident | 51 Ų | 51 | 33.3 Ų | 33.3 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.8 | 173.2 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | S743 N744 I749 R762 | S743-T747 CarbonylContact C-O 3.44Å; S743-T747 WeakPolarHBondContact CA-O 3.48Å; N744-T747 PolarHBondContact N-O 2.77Å; N744-T747 WeakPolarHBondContact O-CB 3.23Å; N744-T747 PolarHBondContact O-N 2.96Å; T747-I749 HydrophobicContact CG2-CG1 4.37Å; T747-R762 HydrophobicContact CG2-CG 3.65Å |
| 748 | F | 86.2 | Confident | 84.3 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 13% | 0.127 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.2 | 174.8 | -63.4 | -86.9 | 0 | 0 | 0 | 111.1 | H711 F717 I741 R742 L763 F770 L780 | H711-F748 AromaticContact NE2-CE1 3.9Å; F717-F748 HydrophobicContact CE2-CD1 4.07Å; F717-F748 AromaticContact CE2-CE1 3.88Å; F717-F748 HydrophobicContact CE2-CE1 3.88Å; F717-F748 HydrophobicContact CZ-CE1 4.2Å; I741-F748 HydrophobicContact CG2-CB 4.32Å; I741-F748 HydrophobicContact CG2-CD1 4.27Å; R742-F748 CarbonylContact O-C 3.4Å; R742-F748 WeakPolarHBondContact O-CA 3.28Å; F748-L763 HydrophobicContact CB-CB 4.31Å; F748-L763 HydrophobicContact CB-CD1 3.95Å; F748-L763 HydrophobicContact CB-CG 4.45Å; F748-L763 PolarHBondContact O-N 3.13Å; F748-F770 HydrophobicContact CD2-CD1 4.47Å; F748-F770 AromaticContact CD2-CE1 3.51Å; F748-F770 HydrophobicContact CD2-CE1 3.51Å; F748-F770 HydrophobicContact CD2-CZ 4.25Å; F748-F770 AromaticContact CE2-CE1 3.79Å; F748-F770 HydrophobicContact CE2-CE1 3.79Å; F748-F770 HydrophobicContact CE2-CZ 4.07Å; F748-F770 HydrophobicContact CG-CE1 4.18Å; F748-L780 HydrophobicContact CB-CD2 4.32Å; F748-L780 HydrophobicContact CD1-CD1 3.47Å; F748-L780 VanDerWaalsContact CD1-CD1 3.47Å; F748-L780 HydrophobicContact CD2-CD1 4.48Å; F748-L780 HydrophobicContact CE1-CD1 3.53Å; F748-L780 HydrophobicContact CG-CD1 3.95Å; F748-L780 HydrophobicContact CG-CD2 4.35Å; F748-L780 HydrophobicContact CZ-CD1 4.07Å |
| 749 | I | 89.5 | Confident | 83.9 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118.3 | -177.7 | -59.2 | 171.8 | 0 | 0 | 0 | 108.8 | I741 R742 T747 H760 C761 Y822 | I741-I749 WeakPolarHBondContact CA-O 3.01Å; R742-I749 HydrophobicContact CG-CB 3.96Å; R742-I749 PolarHBondContact N-O 3.25Å; R742-I749 VanDerWaalsContact NH2-CD1 3.27Å; R742-I749 PolarHBondContact O-N 3.49Å; T747-I749 HydrophobicContact CG2-CG1 4.37Å; I749-H760 HydrophobicContact CG2-CB 4.09Å; I749-C761 CarbonylContact C-O 3.43Å; I749-C761 WeakPolarHBondContact CA-O 3.42Å; I749-Y822 HydrophobicContact CD1-CE1 4.36Å; I749-Y822 HydrophobicContact CG2-CE1 4.32Å |
| 750 | L | 92 | Very high | 83.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 116.7 | 171.2 | 173.6 | 62.5 | 0 | 0 | 0 | 109.2 | F739 I741 F752 H760 C761 L763 L792 L798 | F739-L750 HydrophobicContact CB-CD1 4.28Å; F739-L750 HydrophobicContact CD2-CD1 3.83Å; F739-L750 HydrophobicContact CG-CD1 4.5Å; I741-L750 HydrophobicContact CD1-CD1 4.28Å; I741-L750 HydrophobicContact CG1-CB 4.35Å; I741-L750 HydrophobicContact CG1-CD1 3.73Å; L750-F752 HydrophobicContact CG-CD1 4.19Å; L750-H760 CarbonylContact O-C 3.58Å; L750-H760 WeakPolarHBondContact O-CA 3.45Å; L750-C761 HydrophobicContact CB-CB 4.48Å; L750-C761 PolarHBondContact N-O 2.77Å; L750-C761 PolarHBondContact O-N 3.44Å; L750-L763 HydrophobicContact CB-CD2 4Å; L750-L763 HydrophobicContact CB-CG 4.36Å; L750-L792 HydrophobicContact CD2-CD1 4.27Å; L750-L792 HydrophobicContact CD2-CD2 3.72Å; L750-L798 HydrophobicContact CD1-CD1 4.27Å; L750-L798 HydrophobicContact CD1-CD2 4.36Å; L750-L798 HydrophobicContact CD2-CD1 4.34Å |
| 751 | S | 92.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.8 | 175.7 | -51.7 | 0 | 0 | 0 | 0 | 108.9 | F739 L740 K759 H760 | F739-S751 CarbonylContact C-O 3.57Å; F739-S751 WeakPolarHBondContact CA-O 3.5Å; L740-S751 PolarHBondContact N-O 3.28Å; L740-S751 PolarHBondContact O-N 2.67Å; S751-K759 CarbonylContact C-O 3.47Å; S751-K759 VanDerWaalsContact CA-O 3.3Å; S751-K759 WeakPolarHBondContact CA-O 3.36Å; S751-H760 WeakPolarHBondContact CB-ND1 3.43Å; S751-H760 PolarHBondContact OG-ND1 3.24Å |
| 752 | F | 91.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 158.9 | -174.9 | 67.7 | -81.5 | 0 | 0 | 0 | 112.9 | A738 F739 L750 V754 K759 L792 Y793 L798 L823 | A738-F752 CarbonylContact O-C 3.47Å; A738-F752 WeakPolarHBondContact O-CA 3.45Å; F739-F752 HydrophobicContact CB-CB 3.69Å; L750-F752 HydrophobicContact CG-CD1 4.19Å; F752-V754 HydrophobicContact CD2-CB 4.38Å; F752-V754 HydrophobicContact CD2-CG1 4.29Å; F752-V754 HydrophobicContact CE2-CB 4.09Å; F752-V754 HydrophobicContact CE2-CG1 3.77Å; F752-K759 HydrophobicContact CD1-CB 4.38Å; F752-K759 HydrophobicContact CE1-CB 3.9Å; F752-K759 HydrophobicContact CE2-CB 4.29Å; F752-K759 HydrophobicContact CZ-CB 3.85Å; F752-K759 PolarHBondContact N-O 3.4Å; F752-K759 PolarHBondContact O-N 2.87Å; F752-L792 HydrophobicContact CD1-CD2 3.97Å; F752-L792 HydrophobicContact CD2-CD2 4.2Å; F752-L792 HydrophobicContact CE1-CD2 3.89Å; F752-L792 HydrophobicContact CE2-CD2 4.12Å; F752-L792 HydrophobicContact CG-CD2 4.12Å; F752-L792 HydrophobicContact CZ-CD2 3.96Å; F752-Y793 HydrophobicContact CE2-CD1 4.33Å; F752-Y793 HydrophobicContact CZ-CD1 4.37Å; F752-Y793 HydrophobicContact CZ-CG 4.41Å; F752-L798 HydrophobicContact CB-CD2 4.33Å; F752-L823 HydrophobicContact CZ-CD2 4.12Å |
| 753 | R | 89.6 | Confident | 81.8 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.6 | 175.4 | -71.4 | -173.1 | 82.5 | 98.5 | -0.4 | 112.6 | L730 N731 Y733 G737 A738 G756 L757 I758 S817 | L730-R753 HydrophobicContact CB-CG 4.3Å; L730-R753 WeakPolarHBondContact O-CD 3.49Å; L730-R753 PolarHBondContact O-NH1 2.86Å; N731-R753 PolarHBondContact OD1-NH1 2.84Å; Y733-R753 WeakPolarHBondContact O-CD 3.39Å; G737-R753 PolarHBondContact N-O 2.91Å; A738-R753 PolarHBondContact O-N 3.47Å; R753-G756 PolarHBondContact NH2-O 2.88Å; R753-L757 CarbonylContact C-O 3.54Å; R753-L757 VanDerWaalsContact CA-O 3.28Å; R753-L757 WeakPolarHBondContact CA-O 3.47Å; R753-I758 HydrophobicContact CG-CG1 4Å; R753-S817 PolarHBondContact NH2-OG 3.1Å |
| 754 | V | 82.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 132.6 | 173.2 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | F752 G756 L757 K759 Y793 R794 I796 | F752-V754 HydrophobicContact CD2-CB 4.38Å; F752-V754 HydrophobicContact CD2-CG1 4.29Å; F752-V754 HydrophobicContact CE2-CB 4.09Å; F752-V754 HydrophobicContact CE2-CG1 3.77Å; V754-G756 PolarHBondContact O-N 2.67Å; V754-L757 PolarHBondContact N-O 2.91Å; V754-L757 WeakPolarHBondContact O-CB 3.45Å; V754-L757 PolarHBondContact O-N 3.25Å; V754-K759 HydrophobicContact CG1-CB 4.43Å; V754-K759 HydrophobicContact CG1-CG 3.59Å; V754-Y793 HydrophobicContact CG1-CD1 4.04Å; V754-Y793 HydrophobicContact CG1-CE1 4.25Å; V754-Y793 HydrophobicContact CG2-CD1 4.15Å; V754-R794 HydrophobicContact CG2-CB 4.4Å; V754-I796 HydrophobicContact CB-CG1 4.26Å; V754-I796 HydrophobicContact CG2-CG1 3.8Å |
| 755 | D | 75.8 | Confident | 80.8 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 34% | 0.337 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 37.1 | 179.7 | -50.8 | -27 | 0 | 0 | 0 | 111.9 | D736 L757 R794 R859 | D736-D755 VanDerWaalsContact CG-N 3.31Å; D736-D755 PolarHBondContact OD1-N 3.49Å; D736-D755 VanDerWaalsContact OD1-N 3.16Å; D736-D755 WeakPolarHBondContact OD2-CA 3.25Å; D736-D755 PolarHBondContact OD2-N 2.98Å; D755-L757 PolarHBondContact O-N 3.4Å; D755-R794 IonicContact OD2-NH1 3.3Å; D755-R859 IonicContact OD1-CZ 3.64Å; D755-R859 VanDerWaalsContact OD1-CZ 3.27Å; D755-R859 IonicContact OD1-NE 2.82Å; D755-R859 IonicContact OD1-NH1 3.61Å; D755-R859 PolarHBondContact OD1-NH1 2.81Å; D755-R859 IonicContact OD1-NH2 3.51Å |
| 756 | G | 77.8 | Confident | 80.8 | Confident | 30 Ų | 30 | 46 Ų | 46 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D736 R753 V754 S817 | D736-G756 PolarHBondContact OD1-N 2.93Å; R753-G756 PolarHBondContact NH2-O 2.88Å; V754-G756 PolarHBondContact O-N 2.67Å; G756-S817 PolarHBondContact O-OG 3.22Å |
| 757 | L | 82.1 | Confident | 80.7 | Confident | 64 Ų | 64 | 38.3 Ų | 38.3 | 34% | 0.335 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 155.9 | 178.2 | -58.1 | 178.3 | 0 | 0 | 0 | 111.1 | R753 V754 D755 P818 | R753-L757 CarbonylContact C-O 3.54Å; R753-L757 VanDerWaalsContact CA-O 3.28Å; R753-L757 WeakPolarHBondContact CA-O 3.47Å; V754-L757 PolarHBondContact N-O 2.91Å; V754-L757 WeakPolarHBondContact O-CB 3.45Å; V754-L757 PolarHBondContact O-N 3.25Å; D755-L757 PolarHBondContact O-N 3.4Å; L757-P818 HydrophobicContact CD2-CB 4.24Å; L757-P818 HydrophobicContact CD2-CG 3.64Å |
| 758 | I | 85.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.8 | 172.9 | -62.8 | 166.4 | 0 | 0 | 0 | 109.4 | E727 L730 R753 G820 S821 | E727-I758 HydrophobicContact CB-CD1 4.07Å; E727-I758 HydrophobicContact CG-CD1 4.06Å; E727-I758 HydrophobicContact CG-CG2 4.17Å; L730-I758 HydrophobicContact CB-CD1 3.77Å; L730-I758 HydrophobicContact CB-CG1 4.15Å; L730-I758 HydrophobicContact CD1-CG1 4.33Å; L730-I758 HydrophobicContact CD1-CG2 3.73Å; R753-I758 HydrophobicContact CG-CG1 4Å; I758-G820 WeakPolarHBondContact O-CA 3.46Å; I758-S821 PolarHBondContact O-N 3.22Å; I758-S821 VanDerWaalsContact O-N 3.14Å |
| 759 | K | 84.3 | Confident | 79.4 | Confident | 37 Ų | 37 | 37 Ų | 37 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.7 | 175.3 | -63.4 | -58.1 | -173.4 | -166.3 | 0 | 110.5 | S751 F752 V754 S821 L823 | S751-K759 CarbonylContact C-O 3.47Å; S751-K759 VanDerWaalsContact CA-O 3.3Å; S751-K759 WeakPolarHBondContact CA-O 3.36Å; F752-K759 HydrophobicContact CD1-CB 4.38Å; F752-K759 HydrophobicContact CE1-CB 3.9Å; F752-K759 HydrophobicContact CE2-CB 4.29Å; F752-K759 HydrophobicContact CZ-CB 3.85Å; F752-K759 PolarHBondContact N-O 3.4Å; F752-K759 PolarHBondContact O-N 2.87Å; V754-K759 HydrophobicContact CG1-CB 4.43Å; V754-K759 HydrophobicContact CG1-CG 3.59Å; K759-S821 WeakPolarHBondContact CA-O 3.43Å; K759-S821 WeakPolarHBondContact CD-OG 3.41Å; K759-S821 PolarHBondContact NZ-OG 3Å; K759-L823 HydrophobicContact CB-CB 4.42Å; K759-L823 HydrophobicContact CB-CD2 4.34Å; K759-L823 HydrophobicContact CG-CD2 4.41Å |
| 760 | H | 85.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120 | 175.9 | -52.4 | -80.1 | 0 | 0 | 0 | 110.3 | E727 I749 L750 S751 S821 Y822 L823 | E727-H760 IonicContact OE1-NE2 2.66Å; E727-H760 PolarHBondContact OE1-NE2 3.26Å; I749-H760 HydrophobicContact CG2-CB 4.09Å; L750-H760 CarbonylContact O-C 3.58Å; L750-H760 WeakPolarHBondContact O-CA 3.45Å; S751-H760 WeakPolarHBondContact CB-ND1 3.43Å; S751-H760 PolarHBondContact OG-ND1 3.24Å; H760-S821 PolarHBondContact N-O 2.84Å; H760-Y822 HydrophobicContact CB-CD1 3.7Å; H760-Y822 HydrophobicContact CB-CE1 3.77Å; H760-Y822 HydrophobicContact CB-CG 4.15Å; H760-Y822 CarbonylContact O-C 3.56Å; H760-Y822 WeakPolarHBondContact O-CA 3.46Å; H760-Y822 WeakPolarHBondContact O-CD1 3.32Å; H760-L823 PolarHBondContact O-N 3.13Å |
| 761 | C | 82.7 | Confident | 77.8 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123 | 175.6 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | I749 L750 L763 L825 | I749-C761 CarbonylContact C-O 3.43Å; I749-C761 WeakPolarHBondContact CA-O 3.42Å; L750-C761 HydrophobicContact CB-CB 4.48Å; L750-C761 PolarHBondContact N-O 2.77Å; L750-C761 PolarHBondContact O-N 3.44Å; C761-L763 PolarHBondContact O-N 3.46Å; C761-L825 HydrophobicContact CB-CD1 4.32Å; C761-L825 VanDerWaalsContact SG-CD1 3.51Å |
| 762 | R | 81.7 | Confident | 76.9 | Confident | 158 Ų | 158 | 38.4 Ų | 38.4 | 60% | 0.596 | 19% | 0.189 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 120.8 | 171.6 | -177.4 | 177.7 | -75.9 | 168.9 | -6.4 | 108.2 | T747 K764 | T747-R762 HydrophobicContact CG2-CG 3.65Å; R762-K764 PolarHBondContact O-N 2.99Å |
| 763 | L | 79.9 | Confident | 75.8 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 117.3 | 175.7 | -54.3 | 177.8 | 0 | 0 | 0 | 107.4 | I741 F748 L750 C761 V772 L780 | I741-L763 HydrophobicContact CD1-CD1 4.31Å; I741-L763 HydrophobicContact CG2-CD1 4.48Å; F748-L763 HydrophobicContact CB-CB 4.31Å; F748-L763 HydrophobicContact CB-CD1 3.95Å; F748-L763 HydrophobicContact CB-CG 4.45Å; F748-L763 PolarHBondContact O-N 3.13Å; L750-L763 HydrophobicContact CB-CD2 4Å; L750-L763 HydrophobicContact CB-CG 4.36Å; C761-L763 PolarHBondContact O-N 3.46Å; L763-V772 HydrophobicContact CD2-CG1 4.38Å; L763-V772 HydrophobicContact CD2-CG2 3.52Å; L763-L780 HydrophobicContact CD1-CD2 3.4Å |
| 764 | K | 72.5 | Confident | 74.7 | Confident | 120 Ų | 120 | 44.8 Ų | 44.8 | 52% | 0.522 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 139.9 | 175.4 | -88.3 | -178.7 | -178.8 | 176.4 | 0 | 108.3 | R762 V771 | R762-K764 PolarHBondContact O-N 2.99Å; K764-V771 HydrophobicContact CB-CB 3.88Å; K764-V771 PolarHBondContact N-O 3.29Å; K764-V771 VanDerWaalsContact N-O 3.15Å; K764-V771 PolarHBondContact O-N 3.3Å |
| 765 | H | 59.7 | Low | 74.1 | Confident | 104 Ų | 104 | 47.2 Ų | 47.2 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 99.6 | 179.4 | -169.1 | -100 | 0 | 0 | 0 | 107.5 | G767 F770 | H765-G767 PolarHBondContact CE1-O 3.49Å; H765-G767 PolarHBondContact ND1-O 2.86Å; H765-G767 VanDerWaalsContact ND1-O 3.08Å; H765-G767 PolarHBondContact NE2-O 2.99Å; H765-F770 AromaticContact CD2-CE1 3.95Å |
| 766 | E | 62.8 | Low | 74.2 | Confident | 101 Ų | 101 | 49.4 Ų | 49.4 | 47% | 0.472 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 94.5 | 176.6 | -72.9 | -175.7 | 178.5 | 0 | 0 | 108.5 | R768 L769 V771 | E766-R768 PolarHBondContact O-N 2.94Å; E766-L769 PolarHBondContact N-O 3.11Å; E766-L769 PolarHBondContact O-N 3.49Å; E766-L769 VanDerWaalsContact O-N 3.13Å; E766-V771 HydrophobicContact CB-CG2 3.87Å; E766-V771 HydrophobicContact CG-CG2 3.88Å |
| 767 | G | 63.7 | Low | 74.1 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -117.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H765 | H765-G767 PolarHBondContact CE1-O 3.49Å; H765-G767 PolarHBondContact ND1-O 2.86Å; H765-G767 VanDerWaalsContact ND1-O 3.08Å; H765-G767 PolarHBondContact NE2-O 2.99Å |
| 768 | R | 65.9 | Low | 73.7 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 13% | 0.125 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -10.5 | 172.8 | 83.3 | 177.4 | -177 | 115.1 | -1 | 113.8 | M602 E766 E778 | M602-R768 WeakPolarHBondContact O-CB 3.26Å; M602-R768 WeakPolarHBondContact O-CD 3.08Å; M602-R768 WeakPolarHBondContact O-CG 3.47Å; E766-R768 PolarHBondContact O-N 2.94Å; R768-E778 IonicContact CZ-OE2 3.95Å; R768-E778 VanDerWaalsContact CZ-OE2 3.3Å; R768-E778 IonicContact NH1-OE2 3.07Å; R768-E778 PolarHBondContact NH1-OE2 3.44Å; R768-E778 IonicContact NH2-OE1 3.23Å; R768-E778 PolarHBondContact NH2-OE1 3.5Å; R768-E778 IonicContact NH2-OE2 2.67Å; R768-E778 PolarHBondContact NH2-OE2 3.15Å |
| 769 | L | 69.4 | Low | 73.4 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 11% | 0.11 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.6 | -170.1 | -62.8 | 173.1 | 0 | 0 | 0 | 110.3 | M602 E766 Q776 F777 E778 | M602-L769 HydrophobicContact CE-CD1 4.1Å; E766-L769 PolarHBondContact N-O 3.11Å; E766-L769 PolarHBondContact O-N 3.49Å; E766-L769 VanDerWaalsContact O-N 3.13Å; L769-Q776 HydrophobicContact CB-CB 4.32Å; L769-Q776 HydrophobicContact CD1-CB 4.12Å; L769-F777 WeakPolarHBondContact CA-O 3.42Å; L769-E778 HydrophobicContact CD2-CG 4.03Å |
| 770 | F | 74.9 | Confident | 73.5 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.1 | 168.1 | -63.2 | -80 | 0 | 0 | 0 | 108.5 | F748 H765 Q776 F777 L780 V783 | F748-F770 HydrophobicContact CD2-CD1 4.47Å; F748-F770 AromaticContact CD2-CE1 3.51Å; F748-F770 HydrophobicContact CD2-CE1 3.51Å; F748-F770 HydrophobicContact CD2-CZ 4.25Å; F748-F770 AromaticContact CE2-CE1 3.79Å; F748-F770 HydrophobicContact CE2-CE1 3.79Å; F748-F770 HydrophobicContact CE2-CZ 4.07Å; F748-F770 HydrophobicContact CG-CE1 4.18Å; H765-F770 AromaticContact CD2-CE1 3.95Å; F770-Q776 CarbonylContact O-C 3.57Å; F770-Q776 WeakPolarHBondContact O-CA 2.81Å; F770-F777 HydrophobicContact CB-CB 4.37Å; F770-F777 PolarHBondContact N-O 3.41Å; F770-F777 PolarHBondContact O-N 3.49Å; F770-L780 HydrophobicContact CD1-CD2 3.49Å; F770-L780 VanDerWaalsContact CD1-CD2 3.49Å; F770-L780 HydrophobicContact CD1-CG 4.18Å; F770-L780 HydrophobicContact CD2-CD2 4.27Å; F770-L780 HydrophobicContact CD2-CG 4.33Å; F770-L780 HydrophobicContact CE1-CD1 4.35Å; F770-L780 HydrophobicContact CE1-CD2 3.52Å; F770-L780 HydrophobicContact CE1-CG 3.79Å; F770-L780 HydrophobicContact CE2-CD2 4.3Å; F770-L780 HydrophobicContact CE2-CG 3.97Å; F770-L780 HydrophobicContact CG-CD2 3.89Å; F770-L780 HydrophobicContact CG-CG 4.43Å; F770-L780 HydrophobicContact CZ-CD1 4.27Å; F770-L780 HydrophobicContact CZ-CD2 3.94Å; F770-L780 HydrophobicContact CZ-CG 3.68Å; F770-V783 HydrophobicContact CB-CG2 3.91Å |
| 771 | V | 73.3 | Confident | 73.4 | Confident | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.2 | 179.6 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | K764 E766 G773 H775 Q776 | K764-V771 HydrophobicContact CB-CB 3.88Å; K764-V771 PolarHBondContact N-O 3.29Å; K764-V771 VanDerWaalsContact N-O 3.15Å; K764-V771 PolarHBondContact O-N 3.3Å; E766-V771 HydrophobicContact CB-CG2 3.87Å; E766-V771 HydrophobicContact CG-CG2 3.88Å; V771-G773 WeakPolarHBondContact CG1-O 3.39Å; V771-H775 WeakPolarHBondContact CA-O 3.33Å; V771-Q776 HydrophobicContact CG2-CG 4.08Å |
| 772 | V | 72.3 | Confident | 73.4 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 105.8 | 178.6 | -167.7 | 0 | 0 | 0 | 0 | 108.3 | L763 D774 H775 F777 V783 Y787 L792 L825 | L763-V772 HydrophobicContact CD2-CG1 4.38Å; L763-V772 HydrophobicContact CD2-CG2 3.52Å; V772-D774 PolarHBondContact O-N 3.41Å; V772-H775 PolarHBondContact N-O 2.98Å; V772-H775 PolarHBondContact O-N 3.28Å; V772-H775 VanDerWaalsContact O-N 3.13Å; V772-F777 HydrophobicContact CB-CE2 4.1Å; V772-F777 HydrophobicContact CG2-CD2 4.19Å; V772-F777 HydrophobicContact CG2-CE2 4.13Å; V772-V783 HydrophobicContact CG2-CG1 3.89Å; V772-V783 HydrophobicContact CG2-CG2 4.21Å; V772-Y787 HydrophobicContact CB-CE2 3.83Å; V772-Y787 HydrophobicContact CG1-CE2 3.62Å; V772-Y787 HydrophobicContact CG2-CE2 4.35Å; V772-Y787 PolarHBondContact O-OH 2.74Å; V772-L792 HydrophobicContact CG1-CD1 4.16Å; V772-L825 HydrophobicContact CG1-CD1 3.44Å; V772-L825 VanDerWaalsContact CG1-CD1 3.44Å |
| 773 | G | 68.5 | Low | 73.7 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -123.2 | -164.8 | 0 | 0 | 0 | 0 | 0 | 110 | V771 L825 | V771-G773 WeakPolarHBondContact CG1-O 3.39Å; G773-L825 WeakPolarHBondContact CA-O 3.49Å |
| 774 | D | 66.7 | Low | 74.1 | Confident | 108 Ų | 108 | 49.1 Ų | 49.1 | 58% | 0.578 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5.2 | -179.9 | -57.2 | -33.3 | 0 | 0 | 0 | 114.2 | V772 | V772-D774 PolarHBondContact O-N 3.41Š|
| 775 | H | 71.1 | Confident | 74.6 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.8 | -178.9 | -60.4 | 88 | 0 | 0 | 0 | 110.9 | V771 V772 F777 Y786 | V771-H775 WeakPolarHBondContact CA-O 3.33Å; V772-H775 PolarHBondContact N-O 2.98Å; V772-H775 PolarHBondContact O-N 3.28Å; V772-H775 VanDerWaalsContact O-N 3.13Å; H775-F777 HydrophobicContact CB-CD2 4.28Å; H775-F777 HydrophobicContact CB-CE1 4.46Å; H775-F777 HydrophobicContact CB-CE2 3.37Å; H775-F777 HydrophobicContact CB-CZ 3.48Å; H775-F777 VanDerWaalsContact CB-CZ 3.48Å; H775-Y786 AromaticContact CD2-CE1 3.96Å; H775-Y786 AromaticContact CD2-CZ 3.79Å; H775-Y786 PolarHBondContact CD2-OH 2.91Å; H775-Y786 AromaticContact NE2-CE1 3.89Å; H775-Y786 AromaticContact NE2-CZ 3.66Å; H775-Y786 PolarHBondContact NE2-OH 3.41Å |
| 776 | Q | 76.2 | Confident | 75.8 | Confident | 108 Ų | 108 | 43.7 Ų | 43.7 | 51% | 0.505 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132 | 174.3 | -60.5 | -174.4 | -29.6 | 0 | 0 | 109.8 | L769 F770 V771 | L769-Q776 HydrophobicContact CB-CB 4.32Å; L769-Q776 HydrophobicContact CD1-CB 4.12Å; F770-Q776 CarbonylContact O-C 3.57Å; F770-Q776 WeakPolarHBondContact O-CA 2.81Å; V771-Q776 HydrophobicContact CG2-CG 4.08Å |
| 777 | F | 77 | Confident | 77 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139 | -176.9 | -57.8 | -85.4 | 0 | 0 | 0 | 111 | L769 F770 V772 H775 S779 W782 V783 Y786 Y787 | L769-F777 WeakPolarHBondContact CA-O 3.42Å; F770-F777 HydrophobicContact CB-CB 4.37Å; F770-F777 PolarHBondContact N-O 3.41Å; F770-F777 PolarHBondContact O-N 3.49Å; V772-F777 HydrophobicContact CB-CE2 4.1Å; V772-F777 HydrophobicContact CG2-CD2 4.19Å; V772-F777 HydrophobicContact CG2-CE2 4.13Å; H775-F777 HydrophobicContact CB-CD2 4.28Å; H775-F777 HydrophobicContact CB-CE1 4.46Å; H775-F777 HydrophobicContact CB-CE2 3.37Å; H775-F777 HydrophobicContact CB-CZ 3.48Å; H775-F777 VanDerWaalsContact CB-CZ 3.48Å; F777-S779 VanDerWaalsContact C-N 3.28Å; F777-S779 PolarHBondContact O-N 2.78Å; F777-W782 HydrophobicContact CB-CB 4.46Å; F777-W782 HydrophobicContact CD1-CB 4.31Å; F777-W782 HydrophobicContact CD1-CD2 4.17Å; F777-W782 HydrophobicContact CD1-CG 4.04Å; F777-V783 HydrophobicContact CB-CG2 3.63Å; F777-V783 HydrophobicContact CD1-CG2 4.49Å; F777-V783 HydrophobicContact CD2-CB 4.36Å; F777-V783 HydrophobicContact CD2-CG2 3.56Å; F777-V783 HydrophobicContact CE2-CG2 4.31Å; F777-V783 HydrophobicContact CG-CB 4.4Å; F777-V783 HydrophobicContact CG-CG2 3.64Å; F777-Y786 VanDerWaalsContact CE1-CB 3.44Å; F777-Y786 AromaticContact CE1-CD1 3.84Å; F777-Y786 HydrophobicContact CE1-CD1 3.84Å; F777-Y786 HydrophobicContact CE1-CD2 4.07Å; F777-Y786 AromaticContact CE1-CG 3.51Å; F777-Y786 HydrophobicContact CE1-CG 3.51Å; F777-Y786 AromaticContact CZ-CD1 3.55Å; F777-Y786 HydrophobicContact CZ-CD1 3.55Å; F777-Y786 HydrophobicContact CZ-CE1 4.16Å; F777-Y786 AromaticContact CZ-CG 3.76Å; F777-Y786 HydrophobicContact CZ-CG 3.76Å; F777-Y787 AromaticContact CE2-CE2 3.86Å; F777-Y787 HydrophobicContact CE2-CE2 3.86Å; F777-Y787 AromaticContact CZ-CE2 3.88Å; F777-Y787 HydrophobicContact CZ-CE2 3.88Å |
| 778 | E | 74.5 | Confident | 78.1 | Confident | 89 Ų | 89 | 40.7 Ų | 40.7 | 42% | 0.416 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -72.7 | -18.4 | 177.9 | -66.3 | -169 | -154.7 | 0 | 0 | 114.2 | R768 L769 W782 | R768-E778 IonicContact CZ-OE2 3.95Å; R768-E778 VanDerWaalsContact CZ-OE2 3.3Å; R768-E778 IonicContact NH1-OE2 3.07Å; R768-E778 PolarHBondContact NH1-OE2 3.44Å; R768-E778 IonicContact NH2-OE1 3.23Å; R768-E778 PolarHBondContact NH2-OE1 3.5Å; R768-E778 IonicContact NH2-OE2 2.67Å; R768-E778 PolarHBondContact NH2-OE2 3.15Å; L769-E778 HydrophobicContact CD2-CG 4.03Å; E778-W782 HydrophobicContact CB-CE3 4.06Å; E778-W782 HydrophobicContact CB-CZ3 4.28Å; E778-W782 HydrophobicContact CG-CE3 4.24Å; E778-W782 HydrophobicContact CG-CZ3 3.94Å |
| 779 | S | 79.6 | Confident | 78.8 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 22% | 0.217 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -154.4 | 156.5 | 178.9 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | F777 N781 W782 V783 | F777-S779 VanDerWaalsContact C-N 3.28Å; F777-S779 PolarHBondContact O-N 2.78Å; S779-N781 VanDerWaalsContact C-N 3.25Å; S779-N781 PolarHBondContact O-N 3.41Å; S779-W782 PolarHBondContact O-N 2.72Å; S779-W782 PolarHBondContact OG-N 2.91Å; S779-V783 PolarHBondContact O-N 3.19Å; S779-V783 VanDerWaalsContact O-N 3.14Å |
| 780 | L | 84.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -36.5 | 172 | -65.8 | 173.8 | 0 | 0 | 0 | 112.3 | H711 W716 F717 I741 F748 L763 F770 W782 V783 V784 | H711-L780 HydrophobicContact CB-CB 4.19Å; H711-L780 HydrophobicContact CB-CD1 4.21Å; W716-L780 HydrophobicContact CH2-CB 3.71Å; W716-L780 HydrophobicContact CZ3-CB 3.96Å; F717-L780 HydrophobicContact CE2-CD1 4.5Å; I741-L780 HydrophobicContact CD1-CD2 4.32Å; I741-L780 HydrophobicContact CG2-CD1 4.3Å; F748-L780 HydrophobicContact CB-CD2 4.32Å; F748-L780 HydrophobicContact CD1-CD1 3.47Å; F748-L780 VanDerWaalsContact CD1-CD1 3.47Å; F748-L780 HydrophobicContact CD2-CD1 4.48Å; F748-L780 HydrophobicContact CE1-CD1 3.53Å; F748-L780 HydrophobicContact CG-CD1 3.95Å; F748-L780 HydrophobicContact CG-CD2 4.35Å; F748-L780 HydrophobicContact CZ-CD1 4.07Å; L763-L780 HydrophobicContact CD1-CD2 3.4Å; F770-L780 HydrophobicContact CD1-CD2 3.49Å; F770-L780 VanDerWaalsContact CD1-CD2 3.49Å; F770-L780 HydrophobicContact CD1-CG 4.18Å; F770-L780 HydrophobicContact CD2-CD2 4.27Å; F770-L780 HydrophobicContact CD2-CG 4.33Å; F770-L780 HydrophobicContact CE1-CD1 4.35Å; F770-L780 HydrophobicContact CE1-CD2 3.52Å; F770-L780 HydrophobicContact CE1-CG 3.79Å; F770-L780 HydrophobicContact CE2-CD2 4.3Å; F770-L780 HydrophobicContact CE2-CG 3.97Å; F770-L780 HydrophobicContact CG-CD2 3.89Å; F770-L780 HydrophobicContact CG-CG 4.43Å; F770-L780 HydrophobicContact CZ-CD1 4.27Å; F770-L780 HydrophobicContact CZ-CD2 3.94Å; F770-L780 HydrophobicContact CZ-CG 3.68Å; L780-W782 PolarHBondContact O-N 3.43Å; L780-V783 WeakPolarHBondContact O-CB 3.16Å; L780-V783 PolarHBondContact O-N 3.04Å; L780-V783 VanDerWaalsContact O-N 3.15Å; L780-V784 WeakPolarHBondContact O-CG2 3.24Å; L780-V784 PolarHBondContact O-N 3.22Å |
| 781 | N | 84.8 | Confident | 79.2 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -36.3 | 175.1 | -61.7 | 64.9 | 0 | 0 | 0 | 111.3 | P710 H711 E714 W716 S779 V784 D785 | P710-N781 PolarHBondContact O-ND2 3.44Å; H711-N781 WeakPolarHBondContact CA-OD1 3.18Å; H711-N781 PolarHBondContact N-OD1 3.02Å; E714-N781 WeakPolarHBondContact CG-ND2 3.37Å; E714-N781 PolarHBondContact OE1-ND2 3.19Å; W716-N781 HydrophobicContact CZ2-CB 4.23Å; S779-N781 VanDerWaalsContact C-N 3.25Å; S779-N781 PolarHBondContact O-N 3.41Å; N781-V784 PolarHBondContact O-N 3.32Å; N781-D785 WeakPolarHBondContact O-CB 3.48Å; N781-D785 PolarHBondContact O-N 2.92Å |
| 782 | W | 82.6 | Confident | 79.5 | Confident | 118 Ų | 118 | 48.1 Ų | 48.1 | 45% | 0.447 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.5 | -34.7 | 177.5 | -161.4 | 11 | 0 | 0 | 0 | 112.7 | F777 E778 S779 L780 V784 D785 Y786 | F777-W782 HydrophobicContact CB-CB 4.46Å; F777-W782 HydrophobicContact CD1-CB 4.31Å; F777-W782 HydrophobicContact CD1-CD2 4.17Å; F777-W782 HydrophobicContact CD1-CG 4.04Å; E778-W782 HydrophobicContact CB-CE3 4.06Å; E778-W782 HydrophobicContact CB-CZ3 4.28Å; E778-W782 HydrophobicContact CG-CE3 4.24Å; E778-W782 HydrophobicContact CG-CZ3 3.94Å; S779-W782 PolarHBondContact O-N 2.72Å; S779-W782 PolarHBondContact OG-N 2.91Å; L780-W782 PolarHBondContact O-N 3.43Å; W782-V784 VanDerWaalsContact C-N 3.28Å; W782-V784 PolarHBondContact O-N 3.2Å; W782-D785 PolarHBondContact O-N 3.17Å; W782-Y786 WeakPolarHBondContact O-CB 3.34Å; W782-Y786 PolarHBondContact O-N 3.41Å |
| 783 | V | 86.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.3 | -49.7 | 168.5 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | F770 V772 F777 S779 L780 Y786 Y787 | F770-V783 HydrophobicContact CB-CG2 3.91Å; V772-V783 HydrophobicContact CG2-CG1 3.89Å; V772-V783 HydrophobicContact CG2-CG2 4.21Å; F777-V783 HydrophobicContact CB-CG2 3.63Å; F777-V783 HydrophobicContact CD1-CG2 4.49Å; F777-V783 HydrophobicContact CD2-CB 4.36Å; F777-V783 HydrophobicContact CD2-CG2 3.56Å; F777-V783 HydrophobicContact CE2-CG2 4.31Å; F777-V783 HydrophobicContact CG-CB 4.4Å; F777-V783 HydrophobicContact CG-CG2 3.64Å; S779-V783 PolarHBondContact O-N 3.19Å; S779-V783 VanDerWaalsContact O-N 3.14Å; L780-V783 WeakPolarHBondContact O-CB 3.16Å; L780-V783 PolarHBondContact O-N 3.04Å; L780-V783 VanDerWaalsContact O-N 3.15Å; V783-Y786 PolarHBondContact O-N 3.5Å; V783-Y787 HydrophobicContact CG1-CD2 3.82Å; V783-Y787 HydrophobicContact CG1-CE2 4.1Å; V783-Y787 VanDerWaalsContact O-CD2 3.24Å; V783-Y787 WeakPolarHBondContact O-CD2 3.37Å; V783-Y787 PolarHBondContact O-N 2.95Å |
| 784 | V | 89.5 | Confident | 80.2 | Confident | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.2 | -47.3 | -178.4 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | W716 F739 I741 L780 N781 W782 Y786 Y787 S788 | W716-V784 HydrophobicContact CD2-CB 4.45Å; W716-V784 HydrophobicContact CD2-CG1 4.39Å; W716-V784 HydrophobicContact CD2-CG2 3.72Å; W716-V784 HydrophobicContact CE3-CG2 3.88Å; W716-V784 HydrophobicContact CG-CG1 4.24Å; W716-V784 HydrophobicContact CG-CG2 4.25Å; W716-V784 HydrophobicContact CH2-CG2 4.19Å; W716-V784 HydrophobicContact CZ2-CB 4.36Å; W716-V784 HydrophobicContact CZ2-CG2 4.05Å; W716-V784 HydrophobicContact CZ3-CG2 4.13Å; F739-V784 HydrophobicContact CE2-CG1 3.83Å; F739-V784 HydrophobicContact CE2-CG2 3.89Å; F739-V784 HydrophobicContact CZ-CG1 3.62Å; I741-V784 HydrophobicContact CD1-CG2 3.81Å; L780-V784 WeakPolarHBondContact O-CG2 3.24Å; L780-V784 PolarHBondContact O-N 3.22Å; N781-V784 PolarHBondContact O-N 3.32Å; W782-V784 VanDerWaalsContact C-N 3.28Å; W782-V784 PolarHBondContact O-N 3.2Å; V784-Y786 VanDerWaalsContact C-N 3.3Å; V784-Y786 PolarHBondContact O-N 2.86Å; V784-Y787 PolarHBondContact O-N 3.18Å; V784-S788 VanDerWaalsContact O-CB 3.25Å; V784-S788 WeakPolarHBondContact O-CB 3.44Å; V784-S788 PolarHBondContact O-N 3.32Å; V784-S788 PolarHBondContact O-OG 2.79Å |
| 785 | D | 83.4 | Confident | 80.4 | Confident | 73 Ų | 73 | 48.3 Ų | 48.3 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.8 | -175.9 | 70.9 | 0 | 0 | 0 | 111.4 | N781 W782 S788 K789 | N781-D785 WeakPolarHBondContact O-CB 3.48Å; N781-D785 PolarHBondContact O-N 2.92Å; W782-D785 PolarHBondContact O-N 3.17Å; D785-S788 PolarHBondContact O-N 2.9Å; D785-S788 PolarHBondContact O-OG 3.26Å; D785-K789 WeakPolarHBondContact OD1-CE 3.27Å; D785-K789 IonicContact OD1-NZ 2.8Å; D785-K789 PolarHBondContact OD1-NZ 2.79Å; D785-K789 IonicContact OD2-NZ 3.33Å; D785-K789 PolarHBondContact OD2-NZ 2.83Å |
| 786 | Y | 84.1 | Confident | 80.9 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -55 | 177.6 | -174.5 | -97.5 | 0 | 0 | 0 | 111.4 | Q370 H775 F777 W782 V783 V784 S788 K789 N790 | Q370-Y786 PolarHBondContact NE2-OH 2.87Å; H775-Y786 AromaticContact CD2-CE1 3.96Å; H775-Y786 AromaticContact CD2-CZ 3.79Å; H775-Y786 PolarHBondContact CD2-OH 2.91Å; H775-Y786 AromaticContact NE2-CE1 3.89Å; H775-Y786 AromaticContact NE2-CZ 3.66Å; H775-Y786 PolarHBondContact NE2-OH 3.41Å; F777-Y786 VanDerWaalsContact CE1-CB 3.44Å; F777-Y786 AromaticContact CE1-CD1 3.84Å; F777-Y786 HydrophobicContact CE1-CD1 3.84Å; F777-Y786 HydrophobicContact CE1-CD2 4.07Å; F777-Y786 AromaticContact CE1-CG 3.51Å; F777-Y786 HydrophobicContact CE1-CG 3.51Å; F777-Y786 AromaticContact CZ-CD1 3.55Å; F777-Y786 HydrophobicContact CZ-CD1 3.55Å; F777-Y786 HydrophobicContact CZ-CE1 4.16Å; F777-Y786 AromaticContact CZ-CG 3.76Å; F777-Y786 HydrophobicContact CZ-CG 3.76Å; W782-Y786 WeakPolarHBondContact O-CB 3.34Å; W782-Y786 PolarHBondContact O-N 3.41Å; V783-Y786 PolarHBondContact O-N 3.5Å; V784-Y786 VanDerWaalsContact C-N 3.3Å; V784-Y786 PolarHBondContact O-N 2.86Å; Y786-S788 PolarHBondContact O-N 3.04Å; Y786-K789 PolarHBondContact O-N 3.39Å; Y786-K789 VanDerWaalsContact O-N 3.15Å; Y786-N790 HydrophobicContact CD1-CB 4.16Å; Y786-N790 WeakPolarHBondContact CD2-ND2 3.39Å; Y786-N790 HydrophobicContact CE1-CB 3.89Å; Y786-N790 WeakPolarHBondContact CE2-ND2 3.08Å; Y786-N790 VanDerWaalsContact O-CB 3.31Å; Y786-N790 WeakPolarHBondContact O-CB 3.34Å; Y786-N790 PolarHBondContact O-N 2.89Å; Y786-N790 PolarHBondContact O-ND2 3.25Å |
| 787 | Y | 87.9 | Confident | 81.4 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77.9 | -4.3 | -177.8 | -70.2 | -65.9 | 0 | 0 | 0 | 114.2 | V772 F777 V783 V784 N790 E791 L792 C797 L798 | V772-Y787 HydrophobicContact CB-CE2 3.83Å; V772-Y787 HydrophobicContact CG1-CE2 3.62Å; V772-Y787 HydrophobicContact CG2-CE2 4.35Å; V772-Y787 PolarHBondContact O-OH 2.74Å; F777-Y787 AromaticContact CE2-CE2 3.86Å; F777-Y787 HydrophobicContact CE2-CE2 3.86Å; F777-Y787 AromaticContact CZ-CE2 3.88Å; F777-Y787 HydrophobicContact CZ-CE2 3.88Å; V783-Y787 HydrophobicContact CG1-CD2 3.82Å; V783-Y787 HydrophobicContact CG1-CE2 4.1Å; V783-Y787 VanDerWaalsContact O-CD2 3.24Å; V783-Y787 WeakPolarHBondContact O-CD2 3.37Å; V783-Y787 PolarHBondContact O-N 2.95Å; V784-Y787 PolarHBondContact O-N 3.18Å; Y787-N790 CarbonylContact C-O 3.49Å; Y787-N790 WeakPolarHBondContact CA-O 3.46Å; Y787-E791 WeakPolarHBondContact CD1-O 3.25Å; Y787-E791 WeakPolarHBondContact CE1-O 3.14Å; Y787-L792 VanDerWaalsContact CD1-CA 3.47Å; Y787-L792 HydrophobicContact CD1-CB 3.7Å; Y787-L792 HydrophobicContact CD1-CD1 3.62Å; Y787-L792 HydrophobicContact CD1-CG 4.28Å; Y787-L792 HydrophobicContact CD2-CD1 3.82Å; Y787-L792 HydrophobicContact CE1-CB 4.25Å; Y787-L792 HydrophobicContact CE1-CD1 3.63Å; Y787-L792 HydrophobicContact CE2-CD1 3.85Å; Y787-L792 HydrophobicContact CG-CB 4.12Å; Y787-L792 HydrophobicContact CG-CD1 3.7Å; Y787-L792 HydrophobicContact CG-CG 4.48Å; Y787-C797 CarbonylContact O-C 3.52Å; Y787-C797 WeakPolarHBondContact O-CA 3.38Å; Y787-C797 VanDerWaalsContact O-CB 3.29Å; Y787-C797 WeakPolarHBondContact O-CB 3.14Å; Y787-L798 PolarHBondContact O-N 3.04Å |
| 788 | S | 87 | Confident | 82.1 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -74.5 | -30.3 | 166.3 | 75.7 | 0 | 0 | 0 | 0 | 112.4 | V784 D785 Y786 L798 | V784-S788 VanDerWaalsContact O-CB 3.25Å; V784-S788 WeakPolarHBondContact O-CB 3.44Å; V784-S788 PolarHBondContact O-N 3.32Å; V784-S788 PolarHBondContact O-OG 2.79Å; D785-S788 PolarHBondContact O-N 2.9Å; D785-S788 PolarHBondContact O-OG 3.26Å; Y786-S788 PolarHBondContact O-N 3.04Å; S788-L798 VanDerWaalsContact CA-O 3.25Å; S788-L798 WeakPolarHBondContact CA-O 3.32Å; S788-L798 WeakPolarHBondContact CB-O 3.44Å |
| 789 | K | 79.6 | Confident | 82.7 | Confident | 139 Ų | 139 | 44.3 Ų | 44.3 | 60% | 0.604 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -101 | -26.7 | -179.5 | -64 | 166 | -166.3 | 157.4 | 0 | 112.3 | D785 Y786 | D785-K789 WeakPolarHBondContact OD1-CE 3.27Å; D785-K789 IonicContact OD1-NZ 2.8Å; D785-K789 PolarHBondContact OD1-NZ 2.79Å; D785-K789 IonicContact OD2-NZ 3.33Å; D785-K789 PolarHBondContact OD2-NZ 2.83Å; Y786-K789 PolarHBondContact O-N 3.39Å; Y786-K789 VanDerWaalsContact O-N 3.15Å |
| 790 | N | 76.2 | Confident | 83.2 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -116.8 | 151.4 | -176.1 | -56.7 | -79.2 | 0 | 0 | 0 | 111 | Q370 Y786 Y787 L792 C797 | Q370-N790 PolarHBondContact NE2-OD1 3.13Å; Y786-N790 HydrophobicContact CD1-CB 4.16Å; Y786-N790 WeakPolarHBondContact CD2-ND2 3.39Å; Y786-N790 HydrophobicContact CE1-CB 3.89Å; Y786-N790 WeakPolarHBondContact CE2-ND2 3.08Å; Y786-N790 VanDerWaalsContact O-CB 3.31Å; Y786-N790 WeakPolarHBondContact O-CB 3.34Å; Y786-N790 PolarHBondContact O-N 2.89Å; Y786-N790 PolarHBondContact O-ND2 3.25Å; Y787-N790 CarbonylContact C-O 3.49Å; Y787-N790 WeakPolarHBondContact CA-O 3.46Å; N790-L792 PolarHBondContact O-N 3.05Å; N790-C797 VanDerWaalsContact C-SG 3.56Å; N790-C797 PolarHBondContact O-SG 3.13Å |
| 791 | E | 77.9 | Confident | 83.6 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | trans | -63.9 | 130.7 | 178.4 | -176.6 | -170 | 156 | 0 | 0 | 111.6 | Y787 R794 G795 H858 | Y787-E791 WeakPolarHBondContact CD1-O 3.25Å; Y787-E791 WeakPolarHBondContact CE1-O 3.14Å; E791-R794 PolarHBondContact OE1-N 3.23Å; E791-G795 VanDerWaalsContact CD-CA 3.46Å; E791-G795 PolarHBondContact OE1-N 3.04Å; E791-H858 IonicContact OE1-CE1 3.76Å; E791-H858 IonicContact OE1-ND1 2.89Å; E791-H858 PolarHBondContact OE1-ND1 3.39Å; E791-H858 IonicContact OE2-CE1 3.35Å; E791-H858 PolarHBondContact OE2-CE1 2.91Å; E791-H858 IonicContact OE2-ND1 3.74Å; E791-H858 PolarHBondContact OE2-ND1 2.67Å; E791-H858 IonicContact OE2-NE2 2.88Å; E791-H858 PolarHBondContact OE2-NE2 3.33Å | ||
| 792 | L | 80.2 | Confident | 83.7 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | trans | -88.3 | -51.8 | 171.8 | 178.8 | 68.6 | 0 | 0 | 0 | 111.5 | L750 F752 V772 Y787 N790 I796 L798 L825 | L750-L792 HydrophobicContact CD2-CD1 4.27Å; L750-L792 HydrophobicContact CD2-CD2 3.72Å; F752-L792 HydrophobicContact CD1-CD2 3.97Å; F752-L792 HydrophobicContact CD2-CD2 4.2Å; F752-L792 HydrophobicContact CE1-CD2 3.89Å; F752-L792 HydrophobicContact CE2-CD2 4.12Å; F752-L792 HydrophobicContact CG-CD2 4.12Å; F752-L792 HydrophobicContact CZ-CD2 3.96Å; V772-L792 HydrophobicContact CG1-CD1 4.16Å; Y787-L792 VanDerWaalsContact CD1-CA 3.47Å; Y787-L792 HydrophobicContact CD1-CB 3.7Å; Y787-L792 HydrophobicContact CD1-CD1 3.62Å; Y787-L792 HydrophobicContact CD1-CG 4.28Å; Y787-L792 HydrophobicContact CD2-CD1 3.82Å; Y787-L792 HydrophobicContact CE1-CB 4.25Å; Y787-L792 HydrophobicContact CE1-CD1 3.63Å; Y787-L792 HydrophobicContact CE2-CD1 3.85Å; Y787-L792 HydrophobicContact CG-CB 4.12Å; Y787-L792 HydrophobicContact CG-CD1 3.7Å; Y787-L792 HydrophobicContact CG-CG 4.48Å; N790-L792 PolarHBondContact O-N 3.05Å; L792-I796 PolarHBondContact N-O 3.04Å; L792-L798 HydrophobicContact CD2-CD2 3.67Å; L792-L798 HydrophobicContact CD2-CG 4.26Å; L792-L825 HydrophobicContact CD1-CD1 3.68Å; L792-L825 HydrophobicContact CG-CD1 4.4Å | ||
| 793 | Y | 79.4 | Confident | 84 | Confident | 27 Ų | 27 | 42 Ų | 42 | 11% | 0.106 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -159.6 | 129.1 | -173.2 | -176.7 | -106.3 | 0 | 0 | 0 | 111.2 | F752 V754 G795 I796 L823 L825 T828 | F752-Y793 HydrophobicContact CE2-CD1 4.33Å; F752-Y793 HydrophobicContact CZ-CD1 4.37Å; F752-Y793 HydrophobicContact CZ-CG 4.41Å; V754-Y793 HydrophobicContact CG1-CD1 4.04Å; V754-Y793 HydrophobicContact CG1-CE1 4.25Å; V754-Y793 HydrophobicContact CG2-CD1 4.15Å; Y793-G795 VanDerWaalsContact C-N 3.3Å; Y793-G795 PolarHBondContact O-N 3.3Å; Y793-I796 WeakPolarHBondContact O-CB 3.17Å; Y793-I796 PolarHBondContact O-N 2.94Å; Y793-L823 HydrophobicContact CD1-CD2 4.15Å; Y793-L823 HydrophobicContact CD2-CD2 3.88Å; Y793-L823 HydrophobicContact CE1-CD2 4.05Å; Y793-L823 HydrophobicContact CE2-CD1 4.11Å; Y793-L823 HydrophobicContact CE2-CD2 3.77Å; Y793-L823 HydrophobicContact CG-CD2 4.06Å; Y793-L825 HydrophobicContact CD2-CD2 3.81Å; Y793-L825 HydrophobicContact CG-CD2 4.21Å; Y793-T828 HydrophobicContact CD2-CG2 3.69Å; Y793-T828 HydrophobicContact CE2-CG2 3.81Å |
| 794 | R | 75.1 | Confident | 83.6 | Confident | 106 Ų | 106 | 46.2 Ų | 46.2 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 43.1 | 174 | -69.9 | -172.7 | 170.6 | 177.4 | -1.8 | 114.6 | V754 D755 E791 I796 R859 | V754-R794 HydrophobicContact CG2-CB 4.4Å; D755-R794 IonicContact OD2-NH1 3.3Å; E791-R794 PolarHBondContact OE1-N 3.23Å; R794-I796 VanDerWaalsContact C-N 3.33Å; R794-I796 PolarHBondContact O-N 2.88Å; R794-R859 PolarHBondContact O-NH1 2.78Å |
| 795 | G | 72 | Confident | 83 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 5.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E791 Y793 | E791-G795 VanDerWaalsContact CD-CA 3.46Å; E791-G795 PolarHBondContact OE1-N 3.04Å; Y793-G795 VanDerWaalsContact C-N 3.3Å; Y793-G795 PolarHBondContact O-N 3.3Å |
| 796 | I | 80.4 | Confident | 82.6 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -95.9 | 136.3 | 177.8 | -64.7 | -60.7 | 0 | 0 | 0 | 111.1 | D736 V754 L792 Y793 R794 | D736-I796 HydrophobicContact CB-CD1 3.77Å; V754-I796 HydrophobicContact CB-CG1 4.26Å; V754-I796 HydrophobicContact CG2-CG1 3.8Å; L792-I796 PolarHBondContact N-O 3.04Å; Y793-I796 WeakPolarHBondContact O-CB 3.17Å; Y793-I796 PolarHBondContact O-N 2.94Å; R794-I796 VanDerWaalsContact C-N 3.33Å; R794-I796 PolarHBondContact O-N 2.88Å |
| 797 | C | 87.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | trans | -106.8 | 157.6 | 166.3 | -53 | 0 | 0 | 0 | 0 | 109.4 | G737 Y787 N790 K799 | G737-C797 WeakPolarHBondContact CA-O 3.27Å; Y787-C797 CarbonylContact O-C 3.52Å; Y787-C797 WeakPolarHBondContact O-CA 3.38Å; Y787-C797 VanDerWaalsContact O-CB 3.29Å; Y787-C797 WeakPolarHBondContact O-CB 3.14Å; N790-C797 VanDerWaalsContact C-SG 3.56Å; N790-C797 PolarHBondContact O-SG 3.13Å; C797-K799 PolarHBondContact O-N 2.99Å | ||
| 798 | L | 91.5 | Very high | 80.7 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -71.4 | 108.1 | 173 | -61.3 | -174.6 | 0 | 0 | 0 | 109.9 | F739 L750 F752 Y787 S788 L792 | F739-L798 HydrophobicContact CB-CD2 3.72Å; F739-L798 HydrophobicContact CD1-CB 3.79Å; F739-L798 HydrophobicContact CD1-CD2 4.04Å; F739-L798 HydrophobicContact CD1-CG 4.4Å; F739-L798 HydrophobicContact CD2-CB 4.36Å; F739-L798 HydrophobicContact CD2-CD1 3.92Å; F739-L798 HydrophobicContact CD2-CD2 4Å; F739-L798 HydrophobicContact CD2-CG 4.32Å; F739-L798 HydrophobicContact CE1-CB 3.7Å; F739-L798 HydrophobicContact CE2-CB 4.27Å; F739-L798 HydrophobicContact CE2-CD1 3.93Å; F739-L798 HydrophobicContact CG-CB 4.14Å; F739-L798 HydrophobicContact CG-CD1 4.36Å; F739-L798 HydrophobicContact CG-CD2 3.65Å; F739-L798 HydrophobicContact CG-CG 4.26Å; F739-L798 HydrophobicContact CZ-CB 3.95Å; F739-L798 HydrophobicContact CZ-CD1 4.4Å; L750-L798 HydrophobicContact CD1-CD1 4.27Å; L750-L798 HydrophobicContact CD1-CD2 4.36Å; L750-L798 HydrophobicContact CD2-CD1 4.34Å; F752-L798 HydrophobicContact CB-CD2 4.33Å; Y787-L798 PolarHBondContact O-N 3.04Å; S788-L798 VanDerWaalsContact CA-O 3.25Å; S788-L798 WeakPolarHBondContact CA-O 3.32Å; S788-L798 WeakPolarHBondContact CB-O 3.44Å; L792-L798 HydrophobicContact CD2-CD2 3.67Å; L792-L798 HydrophobicContact CD2-CG 4.26Å | ||
| 799 | K | 86.8 | Confident | 79.4 | Confident | 128 Ų | 128 | 63.5 Ų | 63.5 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | trans | -116.7 | -40.3 | -172 | -72.7 | -179.1 | -178.8 | 179.9 | 0 | 113.7 | G737 C797 P801 | G737-K799 PolarHBondContact O-N 3.21Å; C797-K799 PolarHBondContact O-N 2.99Å; K799-P801 WeakPolarHBondContact O-CD 3.49Å | ||
| 800 | Y | 90.2 | Very high | 78.3 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 31% | 0.31 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 96.2 | -170 | -44.3 | -69.8 | 0 | 0 | 0 | 110 | Y733 L735 D736 G737 A738 F739 | Y733-Y800 HydrophobicContact CE1-CD1 4.14Å; Y733-Y800 HydrophobicContact CE1-CD2 4Å; Y733-Y800 AromaticContact CE1-CG 3.58Å; Y733-Y800 HydrophobicContact CE1-CG 3.58Å; L735-Y800 HydrophobicContact CB-CD2 3.87Å; L735-Y800 HydrophobicContact CB-CE2 3.81Å; L735-Y800 HydrophobicContact CD1-CD2 4.46Å; L735-Y800 HydrophobicContact CD1-CE2 4.21Å; D736-Y800 WeakPolarHBondContact O-CE2 3.4Å; G737-Y800 PolarHBondContact O-N 3Å; G737-Y800 VanDerWaalsContact O-N 3.08Å; A738-Y800 CarbonylContact C-O 3.42Å; A738-Y800 VanDerWaalsContact CA-O 3.27Å; A738-Y800 WeakPolarHBondContact CA-O 3.36Å; A738-Y800 HydrophobicContact CB-CD2 4.46Å; F739-Y800 WeakPolarHBondContact CD1-O 3.11Å; F739-Y800 PolarHBondContact N-O 3.12Å |
| 801 | P | 92.4 | Very high | 77.2 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 137.7 | -179.3 | 30.6 | -36.2 | 0 | 0 | 0 | 111.1 | P715 W716 F739 K799 | P715-P801 HydrophobicContact CB-CB 4.21Å; P715-P801 HydrophobicContact CB-CG 4.23Å; P715-P801 HydrophobicContact CG-CB 4.26Å; P715-P801 HydrophobicContact CG-CG 4.21Å; W716-P801 HydrophobicContact CB-CB 3.59Å; W716-P801 HydrophobicContact CG-CB 4.35Å; F739-P801 HydrophobicContact CE1-CB 4Å; F739-P801 HydrophobicContact CZ-CB 4.01Å; K799-P801 WeakPolarHBondContact O-CD 3.49Å |
| 802 | V | 88 | Confident | 76.1 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | trans | -127.3 | 129.1 | -176.5 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | P715 M729 L730 A738 F739 L740 I807 | P715-V802 CarbonylContact O-C 3.6Å; P715-V802 VanDerWaalsContact O-C 3.29Å; P715-V802 PolarHBondContact O-N 3.14Å; M729-V802 HydrophobicContact CB-CG1 4.18Å; M729-V802 HydrophobicContact CE-CG1 4.32Å; L730-V802 HydrophobicContact CD2-CB 4.49Å; L730-V802 HydrophobicContact CD2-CG2 4.22Å; A738-V802 HydrophobicContact CB-CG2 4.44Å; F739-V802 PolarHBondContact O-N 3.34Å; L740-V802 HydrophobicContact CB-CB 4.41Å; L740-V802 WeakPolarHBondContact CB-O 3.48Å; L740-V802 HydrophobicContact CD2-CG1 4.42Å; V802-I807 HydrophobicContact CG1-CD1 3.81Å; V802-I807 HydrophobicContact CG1-CG1 3.85Å | ||
| 803 | N | 87.2 | Confident | 74.7 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 6% | 0.064 | 37% | 0.373 | C | S | . | . | trans | -148.5 | -176.2 | 168.1 | 74.6 | 5.8 | 0 | 0 | 0 | 109.6 | E714 P715 E805 T806 I807 | E714-N803 PolarHBondContact O-ND2 2.8Å; P715-N803 WeakPolarHBondContact CA-ND2 3.37Å; P715-N803 WeakPolarHBondContact O-CB 3.37Å; P715-N803 VanDerWaalsContact O-CG 3.28Å; P715-N803 PolarHBondContact O-N 3.15Å; P715-N803 PolarHBondContact O-ND2 3.19Å; N803-E805 PolarHBondContact O-N 3.33Å; N803-E805 WeakPolarHBondContact OD1-CA 3.43Å; N803-E805 PolarHBondContact OD1-N 2.98Å; N803-T806 PolarHBondContact N-OG1 2.95Å; N803-T806 PolarHBondContact O-N 3.22Å; N803-T806 WeakPolarHBondContact OD1-CG2 3.39Å; N803-T806 PolarHBondContact OD1-N 2.9Å; N803-T806 PolarHBondContact OD1-OG1 3.1Å; N803-I807 PolarHBondContact O-N 3.49Å | ||
| 804 | S | 80 | Confident | 73.4 | Confident | 88 Ų | 88 | 79.6 Ų | 79.6 | 62% | 0.615 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.1 | -178.8 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 805 | E | 77.1 | Confident | 72.2 | Confident | 160 Ų | 160 | 76.3 Ų | 76.3 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -33.4 | -178 | -60.4 | 178.2 | 177.4 | 0 | 0 | 112.7 | N803 | N803-E805 PolarHBondContact O-N 3.33Å; N803-E805 WeakPolarHBondContact OD1-CA 3.43Å; N803-E805 PolarHBondContact OD1-N 2.98Å |
| 806 | T | 73.6 | Confident | 71.3 | Confident | 32 Ų | 32 | 83.3 Ų | 83.3 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -19.1 | -176.7 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | P715 N803 E808 K809 | P715-T806 HydrophobicContact CB-CG2 3.71Å; N803-T806 PolarHBondContact N-OG1 2.95Å; N803-T806 PolarHBondContact O-N 3.22Å; N803-T806 WeakPolarHBondContact OD1-CG2 3.39Å; N803-T806 PolarHBondContact OD1-N 2.9Å; N803-T806 PolarHBondContact OD1-OG1 3.1Å; T806-E808 VanDerWaalsContact C-N 3.27Å; T806-E808 PolarHBondContact O-N 3.03Å; T806-K809 PolarHBondContact O-N 2.99Å |
| 807 | I | 69.1 | Low | 70 | Confident | 30 Ų | 30 | 83.8 Ų | 83.8 | 15% | 0.154 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -59.1 | -35.8 | -178.7 | -111.7 | 161.9 | 0 | 0 | 0 | 113.5 | M729 L732 V802 N803 K809 | M729-I807 HydrophobicContact CB-CD1 3.47Å; M729-I807 VanDerWaalsContact CB-CD1 3.47Å; M729-I807 HydrophobicContact CE-CD1 3.74Å; M729-I807 HydrophobicContact CG-CD1 3.43Å; M729-I807 VanDerWaalsContact CG-CD1 3.43Å; M729-I807 HydrophobicContact SD-CD1 4.45Å; L732-I807 HydrophobicContact CD1-CD1 4.09Å; L732-I807 HydrophobicContact CD1-CG1 4.36Å; L732-I807 HydrophobicContact CD1-CG2 4.18Å; V802-I807 HydrophobicContact CG1-CD1 3.81Å; V802-I807 HydrophobicContact CG1-CG1 3.85Å; N803-I807 PolarHBondContact O-N 3.49Å; I807-K809 PolarHBondContact O-N 3.47Å |
| 808 | E | 63.6 | Low | 68.5 | Low | 166 Ų | 166 | 86.5 Ų | 86.5 | 78% | 0.776 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -67.8 | -22.6 | -177.7 | -69.7 | -170.4 | 165.2 | 0 | 0 | 112.8 | T806 Y810 | T806-E808 VanDerWaalsContact C-N 3.27Å; T806-E808 PolarHBondContact O-N 3.03Å; E808-Y810 PolarHBondContact O-N 3.41Å |
| 809 | K | 59.9 | Low | 67 | Low | 158 Ų | 158 | 92 Ų | 92 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -70.9 | -15.9 | -173 | -79.7 | -176.6 | 173.8 | 172.7 | 0 | 114.4 | T806 I807 | T806-K809 PolarHBondContact O-N 2.99Å; I807-K809 PolarHBondContact O-N 3.47Å |
| 810 | Y | 55.6 | Low | 65.6 | Low | 146 Ų | 146 | 86.1 Ų | 86.1 | 57% | 0.573 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -154.6 | 25.6 | -166.9 | -60.9 | -74.5 | 0 | 0 | 0 | 114.1 | Y733 E808 S812 | Y733-Y810 AromaticContact CE2-CD2 3.72Å; Y733-Y810 HydrophobicContact CE2-CD2 3.72Å; Y733-Y810 AromaticContact CE2-CG 3.67Å; Y733-Y810 HydrophobicContact CE2-CG 3.67Å; E808-Y810 PolarHBondContact O-N 3.41Å; Y810-S812 PolarHBondContact O-N 3.31Å |
| 811 | S | 53.1 | Low | 64.5 | Low | 80 Ų | 80 | 84.5 Ų | 84.5 | 56% | 0.559 | 46% | 0.458 | S | S | * | . | trans | -58 | 132.1 | -178.8 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 812 | S | 55.2 | Low | 63.4 | Low | 74 Ų | 74 | 87.8 Ų | 87.8 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | trans | -119.8 | 161 | 168.4 | -67.7 | 0 | 0 | 0 | 0 | 109.3 | L732 Y810 | L732-S812 PolarHBondContact O-N 2.86Å; Y810-S812 PolarHBondContact O-N 3.31Å | ||
| 813 | E | 51.5 | Low | 62.4 | Low | 191 Ų | 191 | 89.2 Ų | 89.2 | 89% | 0.893 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -51.5 | 141.9 | 175.7 | -69.1 | -177 | 169.1 | 0 | 0 | 111.1 | S815 | E813-S815 PolarHBondContact O-N 3.2Å; E813-S815 VanDerWaalsContact O-N 3.07Å |
| 814 | L | 50.6 | Low | 60.9 | Low | 119 Ų | 119 | 95 Ų | 95 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | trans | -53.8 | 112.7 | -169.9 | -163.5 | 80.5 | 0 | 0 | 0 | 111.4 | N731 L732 N816 | N731-L814 HydrophobicContact CB-CD1 4.47Å; L732-L814 HydrophobicContact CD2-CD1 4.41Å; L814-N816 PolarHBondContact O-N 2.9Å | ||
| 815 | S | 50.4 | Low | 59.8 | Low | 37 Ų | 37 | 92 Ų | 92 | 26% | 0.259 | 48% | 0.476 | S | S | . | . | trans | -75.4 | 119.7 | 171.2 | 170.6 | 0 | 0 | 0 | 0 | 109.3 | E813 S817 | E813-S815 PolarHBondContact O-N 3.2Å; E813-S815 VanDerWaalsContact O-N 3.07Å; S815-S817 VanDerWaalsContact C-N 3.25Å; S815-S817 PolarHBondContact O-N 2.81Å | ||
| 816 | N | 54.2 | Low | 58.5 | Low | 156 Ų | 156 | 89.4 Ų | 89.4 | 83% | 0.834 | 47% | 0.467 | S | S | * | . | trans | -70.4 | 80.2 | 169.5 | -79.1 | -17.4 | 0 | 0 | 0 | 110.2 | L814 | L814-N816 PolarHBondContact O-N 2.9Š| ||
| 817 | S | 52.7 | Low | 57.3 | Low | 25 Ų | 25 | 91.2 Ų | 91.2 | 18% | 0.175 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 148.1 | 164.9 | -79.3 | 0 | 0 | 0 | 0 | 111.2 | N731 R753 G756 S815 | N731-S817 WeakPolarHBondContact OD1-CB 3.37Å; R753-S817 PolarHBondContact NH2-OG 3.1Å; G756-S817 PolarHBondContact O-OG 3.22Å; S815-S817 VanDerWaalsContact C-N 3.25Å; S815-S817 PolarHBondContact O-N 2.81Å |
| 818 | P | 56.6 | Low | 56.3 | Low | 82 Ų | 82 | 92.1 Ų | 92.1 | 53% | 0.532 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 156.3 | 171.2 | -18.6 | 29.8 | 0 | 0 | 0 | 112.3 | L757 G820 | L757-P818 HydrophobicContact CD2-CB 4.24Å; L757-P818 HydrophobicContact CD2-CG 3.64Å; P818-G820 PolarHBondContact O-N 3.06Å |
| 819 | V | 58.6 | Low | 55.7 | Low | 119 Ų | 119 | 91.2 Ų | 91.2 | 72% | 0.721 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 130.3 | 173 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 820 | G | 57.6 | Low | 55.7 | Low | 5 Ų | 5 | 87.4 Ų | 87.4 | 5% | 0.052 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 151.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K723 E727 I758 P818 | K723-G820 WeakPolarHBondContact CE-O 3.35Å; K723-G820 PolarHBondContact NZ-O 3.48Å; E727-G820 VanDerWaalsContact CD-N 3.34Å; E727-G820 WeakPolarHBondContact OE1-CA 3.36Å; E727-G820 PolarHBondContact OE1-N 3.22Å; I758-G820 WeakPolarHBondContact O-CA 3.46Å; P818-G820 PolarHBondContact O-N 3.06Å |
| 821 | S | 67.5 | Low | 56.6 | Low | 46 Ų | 46 | 87 Ų | 87 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 147.4 | 179.7 | 83.6 | 0 | 0 | 0 | 0 | 111.3 | I758 K759 H760 | I758-S821 PolarHBondContact O-N 3.22Å; I758-S821 VanDerWaalsContact O-N 3.14Å; K759-S821 WeakPolarHBondContact CA-O 3.43Å; K759-S821 WeakPolarHBondContact CD-OG 3.41Å; K759-S821 PolarHBondContact NZ-OG 3Å; H760-S821 PolarHBondContact N-O 2.84Å |
| 822 | Y | 68.4 | Low | 57.6 | Low | 115 Ų | 115 | 86 Ų | 86 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 147.9 | 166.8 | -82.4 | -87.6 | 0 | 0 | 0 | 110.4 | K723 R742 I749 H760 | K723-Y822 HydrophobicContact CD-CE2 4.21Å; R742-Y822 PolarHBondContact NH2-OH 3.32Å; I749-Y822 HydrophobicContact CD1-CE1 4.36Å; I749-Y822 HydrophobicContact CG2-CE1 4.32Å; H760-Y822 HydrophobicContact CB-CD1 3.7Å; H760-Y822 HydrophobicContact CB-CE1 3.77Å; H760-Y822 HydrophobicContact CB-CG 4.15Å; H760-Y822 CarbonylContact O-C 3.56Å; H760-Y822 WeakPolarHBondContact O-CA 3.46Å; H760-Y822 WeakPolarHBondContact O-CD1 3.32Å |
| 823 | L | 67.1 | Low | 58.8 | Low | 33 Ų | 33 | 82.5 Ų | 82.5 | 17% | 0.173 | 45% | 0.447 | C | S | . | . | trans | -138.1 | 135.2 | -178.2 | 175.2 | 69.5 | 0 | 0 | 0 | 109.3 | F752 K759 H760 Y793 L825 | F752-L823 HydrophobicContact CZ-CD2 4.12Å; K759-L823 HydrophobicContact CB-CB 4.42Å; K759-L823 HydrophobicContact CB-CD2 4.34Å; K759-L823 HydrophobicContact CG-CD2 4.41Å; H760-L823 PolarHBondContact O-N 3.13Å; Y793-L823 HydrophobicContact CD1-CD2 4.15Å; Y793-L823 HydrophobicContact CD2-CD2 3.88Å; Y793-L823 HydrophobicContact CE1-CD2 4.05Å; Y793-L823 HydrophobicContact CE2-CD1 4.11Å; Y793-L823 HydrophobicContact CE2-CD2 3.77Å; Y793-L823 HydrophobicContact CG-CD2 4.06Å; L823-L825 HydrophobicContact CD2-CD2 4.12Å | ||
| 824 | E | 55.8 | Low | 60.4 | Low | 133 Ų | 133 | 75.2 Ų | 75.2 | 62% | 0.621 | 41% | 0.414 | S | S | * | . | trans | -95.7 | 131.2 | 160.6 | -64.4 | -153.2 | 162.8 | 0 | 0 | 109.7 | N826 | E824-N826 PolarHBondContact O-N 2.95Å; E824-N826 PolarHBondContact OE2-ND2 2.93Å | ||
| 825 | L | 56.6 | Low | 62 | Low | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | trans | -82.1 | 67.6 | 176.7 | -71.2 | 166.4 | 0 | 0 | 0 | 109.6 | C761 V772 G773 L792 Y793 L823 | C761-L825 HydrophobicContact CB-CD1 4.32Å; C761-L825 VanDerWaalsContact SG-CD1 3.51Å; V772-L825 HydrophobicContact CG1-CD1 3.44Å; V772-L825 VanDerWaalsContact CG1-CD1 3.44Å; G773-L825 WeakPolarHBondContact CA-O 3.49Å; L792-L825 HydrophobicContact CD1-CD1 3.68Å; L792-L825 HydrophobicContact CG-CD1 4.4Å; Y793-L825 HydrophobicContact CD2-CD2 3.81Å; Y793-L825 HydrophobicContact CG-CD2 4.21Å; L823-L825 HydrophobicContact CD2-CD2 4.12Å | ||
| 826 | N | 51.2 | Low | 63.3 | Low | 106 Ų | 106 | 75.5 Ų | 75.5 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | trans | -112.4 | 122.2 | 175.6 | -54.8 | -17.3 | 0 | 0 | 0 | 107.6 | E824 T828 | E824-N826 PolarHBondContact O-N 2.95Å; E824-N826 PolarHBondContact OE2-ND2 2.93Å; N826-T828 PolarHBondContact O-N 3.15Å | ||
| 827 | G | 48.8 | Very low | 64.5 | Low | 70 Ų | 70 | 70.6 Ų | 70.6 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | trans | 35.4 | 83.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 828 | T | 47.8 | Very low | 66 | Low | 49 Ų | 49 | 72.4 Ų | 72.4 | 30% | 0.301 | 39% | 0.394 | S | S | . | . | trans | -61.1 | 140.2 | 173.4 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | Y793 N826 K830 | Y793-T828 HydrophobicContact CD2-CG2 3.69Å; Y793-T828 HydrophobicContact CE2-CG2 3.81Å; N826-T828 PolarHBondContact O-N 3.15Å; T828-K830 PolarHBondContact O-N 3.31Å; T828-K830 VanDerWaalsContact OG1-CE 3.25Å; T828-K830 WeakPolarHBondContact OG1-CE 3.29Å | ||
| 829 | D | 49.6 | Very low | 67.4 | Low | 146 Ų | 146 | 69.5 Ų | 69.5 | 78% | 0.781 | 37% | 0.373 | S | S | * | . | trans | -56.4 | 78.1 | 168.8 | -114.7 | -20.3 | 0 | 0 | 0 | 111.2 | ||||
| 830 | K | 61.7 | Low | 68.8 | Low | 79 Ų | 79 | 69.2 Ų | 69.2 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 121.9 | 176.8 | -76.2 | 176.9 | 176.2 | -175.8 | 0 | 107.8 | T828 V856 | T828-K830 PolarHBondContact O-N 3.31Å; T828-K830 VanDerWaalsContact OG1-CE 3.25Å; T828-K830 WeakPolarHBondContact OG1-CE 3.29Å; K830-V856 HydrophobicContact CB-CG1 3.79Å; K830-V856 HydrophobicContact CD-CG1 3.99Å; K830-V856 HydrophobicContact CG-CG1 3.99Å |
| 831 | R | 73.2 | Confident | 70.2 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.9 | 175 | -61.8 | -179.2 | -172.3 | 177.8 | 0.7 | 109 | I857 I884 | R831-I857 HydrophobicContact CB-CB 4.24Å; R831-I857 PolarHBondContact N-O 3.42Å; R831-I857 VanDerWaalsContact N-O 3.12Å; R831-I857 WeakPolarHBondContact O-CB 3.32Å; R831-I857 PolarHBondContact O-N 2.84Å; R831-I884 HydrophobicContact CB-CG2 4.38Å |
| 832 | V | 75.3 | Confident | 71.1 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135 | 173.9 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | I854 L885 | V832-I854 HydrophobicContact CG1-CG2 3.44Å; V832-I854 VanDerWaalsContact CG1-CG2 3.44Å; V832-L885 HydrophobicContact CG1-CD1 4.13Å; V832-L885 PolarHBondContact O-N 3.31Å |
| 833 | G | 80.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 152 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | I854 V855 E883 | G833-I854 WeakPolarHBondContact O-CA 3.46Å; G833-V855 PolarHBondContact N-O 3Å; G833-V855 WeakPolarHBondContact O-CG2 3.36Å; G833-V855 PolarHBondContact O-N 3.31Å; G833-E883 CarbonylContact C-O 3.56Å; G833-E883 WeakPolarHBondContact CA-O 3.38Å |
| 834 | L | 83.8 | Confident | 72.5 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 20% | 0.199 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128 | 172.7 | -170.1 | 71.3 | 0 | 0 | 0 | 109.1 | K852 A853 I854 E883 L885 | L834-K852 HydrophobicContact CD1-CB 4.15Å; L834-K852 VanDerWaalsContact CD1-O 3.31Å; L834-K852 WeakPolarHBondContact CD1-O 3.34Å; L834-K852 HydrophobicContact CG-CB 4.46Å; L834-A853 CarbonylContact C-O 3.59Å; L834-A853 WeakPolarHBondContact CA-O 3.35Å; L834-I854 HydrophobicContact CD1-CG1 4.16Å; L834-E883 PolarHBondContact N-O 2.84Å; L834-E883 PolarHBondContact O-N 2.93Å; L834-L885 HydrophobicContact CB-CD1 4.26Å; L834-L885 HydrophobicContact CB-CD2 4.04Å; L834-L885 HydrophobicContact CB-CG 4.12Å |
| 835 | T | 84.2 | Confident | 73.8 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.006 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 135.1 | 178.5 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | F849 P850 K852 A853 V855 I877 R881 | T835-F849 HydrophobicContact CG2-CB 4.42Å; T835-F849 HydrophobicContact CG2-CD2 3.36Å; T835-F849 HydrophobicContact CG2-CE2 3.63Å; T835-F849 HydrophobicContact CG2-CG 3.86Å; T835-F849 HydrophobicContact CG2-CZ 4.36Å; T835-P850 PolarHBondContact OG1-O 3.01Å; T835-K852 WeakPolarHBondContact O-CA 3.45Å; T835-K852 PolarHBondContact O-N 3.11Å; T835-K852 PolarHBondContact OG1-N 3.21Å; T835-A853 HydrophobicContact CG2-CB 4.02Å; T835-A853 PolarHBondContact N-O 3.27Å; T835-A853 WeakPolarHBondContact OG1-CB 3.22Å; T835-A853 PolarHBondContact OG1-N 3.43Å; T835-V855 HydrophobicContact CG2-CG1 3.68Å; T835-V855 HydrophobicContact CG2-CG2 4.11Å; T835-I877 HydrophobicContact CG2-CD1 4.02Å; T835-R881 CarbonylContact C-O 3.47Å; T835-R881 VanDerWaalsContact CA-O 3.25Å; T835-R881 WeakPolarHBondContact CA-O 3.43Å |
| 836 | R | 78.9 | Confident | 75.4 | Confident | 161 Ų | 161 | 78.3 Ų | 78.3 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -77.2 | -35.1 | -177.8 | -69.1 | -179.4 | 170.8 | -176.5 | -3.3 | 113.1 | R881 | R836-R881 PolarHBondContact N-O 3.25Š|
| 837 | C | 78.1 | Confident | 77.1 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -142.9 | 161.1 | -177.6 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 838 | A | 84.4 | Confident | 78.9 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 51% | 0.512 | 39% | 0.388 | S | S | . | . | trans | -67.3 | 144.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F849 R881 | A838-F849 CarbonylContact C-O 3.58Å; A838-F849 VanDerWaalsContact CA-O 3.29Å; A838-F849 WeakPolarHBondContact CA-O 3.42Å; A838-R881 PolarHBondContact O-NH1 3.28Å | ||
| 839 | Y | 85.5 | Confident | 80.7 | Confident | 21 Ų | 21 | 71.1 Ų | 71.1 | 8% | 0.082 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -138.9 | 138.6 | 176.1 | -176 | -120.3 | 0 | 0 | 0 | 110.9 | E846 L847 S848 F849 | Y839-E846 WeakPolarHBondContact CE1-OE2 3.49Å; Y839-E846 PolarHBondContact OH-OE2 3.24Å; Y839-L847 VanDerWaalsContact CD1-O 3.28Å; Y839-L847 WeakPolarHBondContact CD1-O 3.35Å; Y839-S848 CarbonylContact O-C 3.49Å; Y839-S848 VanDerWaalsContact O-CA 3.25Å; Y839-S848 WeakPolarHBondContact O-CA 3.26Å; Y839-F849 VanDerWaalsContact CB-CE2 3.49Å; Y839-F849 VanDerWaalsContact CB-CZ 3.45Å; Y839-F849 AromaticContact CD1-CE1 3.85Å; Y839-F849 HydrophobicContact CD1-CE1 3.85Å; Y839-F849 AromaticContact CD1-CZ 3.9Å; Y839-F849 HydrophobicContact CD1-CZ 3.9Å; Y839-F849 HydrophobicContact CG-CE1 4.38Å; Y839-F849 HydrophobicContact CG-CZ 4.04Å; Y839-F849 PolarHBondContact N-O 3.27Å; Y839-F849 PolarHBondContact O-N 3.14Å |
| 840 | T | 88.6 | Confident | 82.1 | Confident | 113 Ų | 113 | 66.4 Ų | 66.4 | 69% | 0.693 | 35% | 0.353 | S | S | * | . | trans | -110.7 | 122.2 | 171 | -56.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 841 | A | 87.2 | Confident | 82.9 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | trans | -57.4 | 134.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E846 S848 | A841-E846 HydrophobicContact CB-CB 3.62Å; A841-E846 WeakPolarHBondContact CB-O 3.02Å; A841-S848 VanDerWaalsContact CB-OG 3.27Å; A841-S848 WeakPolarHBondContact CB-OG 3.17Å; A841-S848 PolarHBondContact N-OG 3.21Å | ||
| 842 | Q | 86.1 | Confident | 83.1 | Confident | 170 Ų | 170 | 66.5 Ų | 66.5 | 79% | 0.794 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -91 | -14.9 | 176.6 | -63.7 | -175.5 | -7.5 | 0 | 0 | 112.5 | E846 | Q842-E846 PolarHBondContact N-OE2 3.41Å; Q842-E846 VanDerWaalsContact N-OE2 3.08Å |
| 843 | S | 86.1 | Confident | 83.3 | Confident | 45 Ų | 45 | 64 Ų | 64 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -139.8 | 161.3 | 179.6 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | I845 E846 | S843-I845 PolarHBondContact O-N 3.31Å; S843-I845 VanDerWaalsContact O-N 3.15Å; S843-I845 WeakPolarHBondContact OG-CG1 3.45Å; S843-E846 PolarHBondContact O-N 2.76Å; S843-E846 VanDerWaalsContact O-N 3.14Å; S843-E846 WeakPolarHBondContact OG-CG 3.39Å; S843-E846 PolarHBondContact OG-OE1 2.93Å |
| 844 | D | 79.1 | Confident | 83.2 | Confident | 175 Ų | 175 | 69.2 Ų | 69.2 | 94% | 0.936 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -15.9 | -179 | -70.5 | -29.9 | 0 | 0 | 0 | 113.8 | ||
| 845 | I | 84.1 | Confident | 83.2 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 52% | 0.518 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9 | 178.6 | 61.9 | 170.8 | 0 | 0 | 0 | 112.9 | S843 G875 L876 | S843-I845 PolarHBondContact O-N 3.31Å; S843-I845 VanDerWaalsContact O-N 3.15Å; S843-I845 WeakPolarHBondContact OG-CG1 3.45Å; I845-G875 CarbonylContact O-C 3.59Å; I845-G875 VanDerWaalsContact O-CA 3.3Å; I845-G875 WeakPolarHBondContact O-CA 3.37Å; I845-L876 HydrophobicContact CD1-CD1 3.79Å; I845-L876 HydrophobicContact CG1-CD1 4.2Å; I845-L876 PolarHBondContact O-N 2.88Å |
| 846 | E | 89.7 | Confident | 83 | Confident | 30 Ų | 30 | 69 Ų | 69 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -98.1 | 153.9 | -178.5 | -72.2 | 166.7 | -129.3 | 0 | 0 | 112.6 | Y839 A841 Q842 S843 W865 L876 | Y839-E846 WeakPolarHBondContact CE1-OE2 3.49Å; Y839-E846 PolarHBondContact OH-OE2 3.24Å; A841-E846 HydrophobicContact CB-CB 3.62Å; A841-E846 WeakPolarHBondContact CB-O 3.02Å; Q842-E846 PolarHBondContact N-OE2 3.41Å; Q842-E846 VanDerWaalsContact N-OE2 3.08Å; S843-E846 PolarHBondContact O-N 2.76Å; S843-E846 VanDerWaalsContact O-N 3.14Å; S843-E846 WeakPolarHBondContact OG-CG 3.39Å; S843-E846 PolarHBondContact OG-OE1 2.93Å; E846-W865 HydrophobicContact CG-CH2 3.73Å; E846-W865 HydrophobicContact CG-CZ3 3.69Å; E846-L876 WeakPolarHBondContact CA-O 3.37Å; E846-L876 HydrophobicContact CG-CB 4.36Å |
| 847 | L | 87 | Confident | 83.2 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 138.4 | 174.3 | -70.4 | 176.9 | 0 | 0 | 0 | 112 | Y839 F849 A868 K873 L876 | Y839-L847 VanDerWaalsContact CD1-O 3.28Å; Y839-L847 WeakPolarHBondContact CD1-O 3.35Å; L847-F849 HydrophobicContact CB-CD1 4.05Å; L847-F849 HydrophobicContact CB-CE1 4.35Å; L847-F849 WeakPolarHBondContact O-CD1 3.31Å; L847-F849 WeakPolarHBondContact O-CE1 3.49Å; L847-A868 HydrophobicContact CD1-CB 4.13Å; L847-A868 VanDerWaalsContact CD1-O 3.31Å; L847-A868 WeakPolarHBondContact CD1-O 3.45Å; L847-K873 HydrophobicContact CD2-CB 3.88Å; L847-L876 PolarHBondContact N-O 2.95Å |
| 848 | S | 85.1 | Confident | 83.2 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 135.9 | 164.2 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | Y839 A841 Y870 | Y839-S848 CarbonylContact O-C 3.49Å; Y839-S848 VanDerWaalsContact O-CA 3.25Å; Y839-S848 WeakPolarHBondContact O-CA 3.26Å; A841-S848 VanDerWaalsContact CB-OG 3.27Å; A841-S848 WeakPolarHBondContact CB-OG 3.17Å; A841-S848 PolarHBondContact N-OG 3.21Å; S848-Y870 VanDerWaalsContact O-CD1 3.27Å; S848-Y870 WeakPolarHBondContact O-CD1 3.4Å |
| 849 | F | 85.4 | Confident | 82.8 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -151.3 | 146.7 | -177.3 | 44.3 | -94.1 | 0 | 0 | 0 | 110.5 | T835 A838 Y839 L847 A853 Y870 I877 R881 | T835-F849 HydrophobicContact CG2-CB 4.42Å; T835-F849 HydrophobicContact CG2-CD2 3.36Å; T835-F849 HydrophobicContact CG2-CE2 3.63Å; T835-F849 HydrophobicContact CG2-CG 3.86Å; T835-F849 HydrophobicContact CG2-CZ 4.36Å; A838-F849 CarbonylContact C-O 3.58Å; A838-F849 VanDerWaalsContact CA-O 3.29Å; A838-F849 WeakPolarHBondContact CA-O 3.42Å; Y839-F849 VanDerWaalsContact CB-CE2 3.49Å; Y839-F849 VanDerWaalsContact CB-CZ 3.45Å; Y839-F849 AromaticContact CD1-CE1 3.85Å; Y839-F849 HydrophobicContact CD1-CE1 3.85Å; Y839-F849 AromaticContact CD1-CZ 3.9Å; Y839-F849 HydrophobicContact CD1-CZ 3.9Å; Y839-F849 HydrophobicContact CG-CE1 4.38Å; Y839-F849 HydrophobicContact CG-CZ 4.04Å; Y839-F849 PolarHBondContact N-O 3.27Å; Y839-F849 PolarHBondContact O-N 3.14Å; L847-F849 HydrophobicContact CB-CD1 4.05Å; L847-F849 HydrophobicContact CB-CE1 4.35Å; L847-F849 WeakPolarHBondContact O-CD1 3.31Å; L847-F849 WeakPolarHBondContact O-CE1 3.49Å; F849-A853 HydrophobicContact CB-CB 3.95Å; F849-Y870 HydrophobicContact CB-CD1 3.85Å; F849-Y870 HydrophobicContact CB-CE1 3.91Å; F849-Y870 HydrophobicContact CB-CG 4.25Å; F849-I877 HydrophobicContact CD1-CD1 3.76Å; F849-I877 HydrophobicContact CD1-CG1 4.42Å; F849-I877 HydrophobicContact CE1-CB 4.32Å; F849-I877 HydrophobicContact CE1-CD1 3.19Å; F849-I877 HydrophobicContact CE1-CG1 3.43Å; F849-I877 VanDerWaalsContact CE1-CG1 3.43Å; F849-I877 HydrophobicContact CE2-CD1 4.1Å; F849-I877 HydrophobicContact CG-CD1 4.43Å; F849-I877 HydrophobicContact CZ-CD1 3.37Å; F849-I877 HydrophobicContact CZ-CG1 3.51Å; F849-R881 HydrophobicContact CE2-CB 4.48Å; F849-R881 HydrophobicContact CZ-CB 4.45Å |
| 850 | P | 80.2 | Confident | 82.5 | Confident | 47 Ų | 47 | 62 Ų | 62 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | trans | -70.5 | 172.4 | 170.6 | 31.1 | -33.3 | 0 | 0 | 0 | 111.3 | T835 A853 Y870 | T835-P850 PolarHBondContact OG1-O 3.01Å; P850-A853 HydrophobicContact CG-CB 4.06Å; P850-A853 WeakPolarHBondContact O-CB 3.47Å; P850-Y870 WeakPolarHBondContact CD-OH 3.3Å; P850-Y870 WeakPolarHBondContact CG-OH 3.43Å | ||
| 851 | A | 78 | Confident | 81.8 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 145.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A853 | A851-A853 PolarHBondContact O-N 3.18Š|
| 852 | K | 78.3 | Confident | 81.6 | Confident | 164 Ų | 164 | 63.1 Ų | 63.1 | 71% | 0.713 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 29.9 | -176.8 | -56.1 | -160.9 | 178.1 | -170.1 | 0 | 114.6 | L834 T835 | L834-K852 HydrophobicContact CD1-CB 4.15Å; L834-K852 VanDerWaalsContact CD1-O 3.31Å; L834-K852 WeakPolarHBondContact CD1-O 3.34Å; L834-K852 HydrophobicContact CG-CB 4.46Å; T835-K852 WeakPolarHBondContact O-CA 3.45Å; T835-K852 PolarHBondContact O-N 3.11Å; T835-K852 PolarHBondContact OG1-N 3.21Å |
| 853 | A | 77.9 | Confident | 81.1 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | trans | -74 | 136.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L834 T835 F849 P850 A851 Y870 | L834-A853 CarbonylContact C-O 3.59Å; L834-A853 WeakPolarHBondContact CA-O 3.35Å; T835-A853 HydrophobicContact CG2-CB 4.02Å; T835-A853 PolarHBondContact N-O 3.27Å; T835-A853 WeakPolarHBondContact OG1-CB 3.22Å; T835-A853 PolarHBondContact OG1-N 3.43Å; F849-A853 HydrophobicContact CB-CB 3.95Å; P850-A853 HydrophobicContact CG-CB 4.06Å; P850-A853 WeakPolarHBondContact O-CB 3.47Å; A851-A853 PolarHBondContact O-N 3.18Å; A853-Y870 HydrophobicContact CB-CD2 4.12Å; A853-Y870 HydrophobicContact CB-CE2 3.61Å | ||
| 854 | I | 79.4 | Confident | 80.9 | Confident | 110 Ų | 110 | 64.9 Ų | 64.9 | 56% | 0.564 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.4 | 170.1 | -59.9 | 176.9 | 0 | 0 | 0 | 108 | V832 G833 L834 | V832-I854 HydrophobicContact CG1-CG2 3.44Å; V832-I854 VanDerWaalsContact CG1-CG2 3.44Å; G833-I854 WeakPolarHBondContact O-CA 3.46Å; L834-I854 HydrophobicContact CD1-CG1 4.16Å |
| 855 | V | 83.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.1 | 178.7 | -62.6 | 0 | 0 | 0 | 0 | 109.8 | G833 T835 I857 Y870 I877 V882 | G833-V855 PolarHBondContact N-O 3Å; G833-V855 WeakPolarHBondContact O-CG2 3.36Å; G833-V855 PolarHBondContact O-N 3.31Å; T835-V855 HydrophobicContact CG2-CG1 3.68Å; T835-V855 HydrophobicContact CG2-CG2 4.11Å; V855-I857 HydrophobicContact CG2-CD1 4.45Å; V855-Y870 HydrophobicContact CG1-CD2 4.05Å; V855-Y870 HydrophobicContact CG1-CG 4.27Å; V855-I877 HydrophobicContact CG1-CD1 4.23Å; V855-I877 HydrophobicContact CG2-CD1 4.19Å; V855-V882 HydrophobicContact CG2-CG1 3.87Å; V855-V882 HydrophobicContact CG2-CG2 4.29Å |
| 856 | V | 79.8 | Confident | 81.4 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 21% | 0.212 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 110 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | K830 A868 S869 | K830-V856 HydrophobicContact CB-CG1 3.79Å; K830-V856 HydrophobicContact CD-CG1 3.99Å; K830-V856 HydrophobicContact CG-CG1 3.99Å; V856-A868 CarbonylContact O-C 3.55Å; V856-A868 WeakPolarHBondContact O-CA 3.45Å; V856-A868 WeakPolarHBondContact O-CB 3.33Å; V856-S869 PolarHBondContact N-O 2.71Å; V856-S869 PolarHBondContact O-N 3.08Å |
| 857 | I | 83.4 | Confident | 81.2 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.2 | 174.3 | -54.8 | -64 | 0 | 0 | 0 | 108.4 | R831 V855 W866 A868 I877 V882 | R831-I857 HydrophobicContact CB-CB 4.24Å; R831-I857 PolarHBondContact N-O 3.42Å; R831-I857 VanDerWaalsContact N-O 3.12Å; R831-I857 WeakPolarHBondContact O-CB 3.32Å; R831-I857 PolarHBondContact O-N 2.84Å; V855-I857 HydrophobicContact CG2-CD1 4.45Å; I857-W866 HydrophobicContact CB-CE3 4.38Å; I857-W866 HydrophobicContact CD1-CB 4.46Å; I857-W866 HydrophobicContact CD1-CE3 3.76Å; I857-W866 HydrophobicContact CD1-CZ3 4.49Å; I857-W866 HydrophobicContact CG1-CE3 3.94Å; I857-W866 HydrophobicContact CG1-CZ3 4.3Å; I857-W866 HydrophobicContact CG2-CB 4.48Å; I857-W866 HydrophobicContact CG2-CD2 4.4Å; I857-W866 HydrophobicContact CG2-CE3 3.55Å; I857-W866 HydrophobicContact CG2-CZ3 4.15Å; I857-A868 HydrophobicContact CD1-CB 3.82Å; I857-I877 HydrophobicContact CD1-CG2 3.94Å; I857-V882 HydrophobicContact CD1-CG1 4.25Å |
| 858 | H | 78.9 | Confident | 81.2 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 7% | 0.069 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -40.7 | 176.2 | -63.4 | -73.2 | 0 | 0 | 0 | 112.2 | E791 R867 S869 | E791-H858 IonicContact OE1-CE1 3.76Å; E791-H858 IonicContact OE1-ND1 2.89Å; E791-H858 PolarHBondContact OE1-ND1 3.39Å; E791-H858 IonicContact OE2-CE1 3.35Å; E791-H858 PolarHBondContact OE2-CE1 2.91Å; E791-H858 IonicContact OE2-ND1 3.74Å; E791-H858 PolarHBondContact OE2-ND1 2.67Å; E791-H858 IonicContact OE2-NE2 2.88Å; E791-H858 PolarHBondContact OE2-NE2 3.33Å; H858-R867 PolarHBondContact N-O 3.19Å; H858-S869 VanDerWaalsContact NE2-CB 3.28Å; H858-S869 WeakPolarHBondContact NE2-CB 3.39Å; H858-S869 PolarHBondContact NE2-OG 2.81Å |
| 859 | R | 74.3 | Confident | 81 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 162.7 | 179.3 | 64.7 | 178.9 | -170.6 | -153.8 | 20.3 | 113.1 | D755 R794 E861 W866 R867 | D755-R859 IonicContact OD1-CZ 3.64Å; D755-R859 VanDerWaalsContact OD1-CZ 3.27Å; D755-R859 IonicContact OD1-NE 2.82Å; D755-R859 IonicContact OD1-NH1 3.61Å; D755-R859 PolarHBondContact OD1-NH1 2.81Å; D755-R859 IonicContact OD1-NH2 3.51Å; R794-R859 PolarHBondContact O-NH1 2.78Å; R859-E861 IonicContact CZ-OE1 3.22Å; R859-E861 IonicContact CZ-OE2 2.82Å; R859-E861 IonicContact NE-OE2 2.8Å; R859-E861 PolarHBondContact NE-OE2 2.89Å; R859-E861 IonicContact NH2-OE1 3.1Å; R859-E861 PolarHBondContact NH2-OE1 3Å; R859-E861 VanDerWaalsContact NH2-OE1 3.1Å; R859-E861 IonicContact NH2-OE2 3.53Å; R859-E861 PolarHBondContact NH2-OE2 2.82Å; R859-E861 VanDerWaalsContact NH2-OE2 3.16Å; R859-W866 CarbonylContact O-C 3.54Å; R859-W866 WeakPolarHBondContact O-CA 3.25Å; R859-R867 HydrophobicContact CG-CB 3.85Å; R859-R867 PolarHBondContact N-O 2.97Å; R859-R867 PolarHBondContact O-N 3.01Å |
| 860 | K | 79.6 | Confident | 80.6 | Confident | 101 Ų | 101 | 56 Ų | 56 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.1 | 170.3 | -178.6 | 172.3 | -169.3 | -170.1 | 0 | 109.1 | N862 E863 W866 | K860-N862 VanDerWaalsContact CE-O 3.27Å; K860-N862 WeakPolarHBondContact CE-O 3.28Å; K860-N862 WeakPolarHBondContact CG-O 3.43Å; K860-E863 WeakPolarHBondContact CE-OE1 3.44Å; K860-E863 IonicContact NZ-OE1 3.48Å; K860-E863 PolarHBondContact NZ-OE1 2.82Å; K860-E863 IonicContact NZ-OE2 3.25Å; K860-E863 PolarHBondContact NZ-OE2 3.4Å; K860-W866 HydrophobicContact CB-CG 4.49Å; K860-W866 HydrophobicContact CD-CZ2 4.45Å |
| 861 | E | 74.5 | Confident | 80 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -84.4 | -40.1 | 178.1 | -151.9 | 76.4 | -172.1 | 0 | 0 | 110.5 | R859 W865 L876 | R859-E861 IonicContact CZ-OE1 3.22Å; R859-E861 IonicContact CZ-OE2 2.82Å; R859-E861 IonicContact NE-OE2 2.8Å; R859-E861 PolarHBondContact NE-OE2 2.89Å; R859-E861 IonicContact NH2-OE1 3.1Å; R859-E861 PolarHBondContact NH2-OE1 3Å; R859-E861 VanDerWaalsContact NH2-OE1 3.1Å; R859-E861 IonicContact NH2-OE2 3.53Å; R859-E861 PolarHBondContact NH2-OE2 2.82Å; R859-E861 VanDerWaalsContact NH2-OE2 3.16Å; E861-W865 WeakPolarHBondContact CA-O 3.34Å; E861-W865 WeakPolarHBondContact CB-O 3.22Å; E861-W865 PolarHBondContact N-O 2.82Å; E861-L876 HydrophobicContact CB-CD2 4.22Å; E861-L876 HydrophobicContact CG-CD2 4.34Å |
| 862 | N | 82.2 | Confident | 79.2 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -156 | -173 | 169.3 | 57.3 | 55.7 | 0 | 0 | 0 | 109.8 | K860 L864 W865 | K860-N862 VanDerWaalsContact CE-O 3.27Å; K860-N862 WeakPolarHBondContact CE-O 3.28Å; K860-N862 WeakPolarHBondContact CG-O 3.43Å; N862-L864 PolarHBondContact O-N 2.8Å; N862-L864 PolarHBondContact OD1-N 2.82Å; N862-W865 PolarHBondContact N-O 2.8Å; N862-W865 PolarHBondContact OD1-N 2.73Å |
| 863 | E | 76.6 | Confident | 79 | Confident | 144 Ų | 144 | 58.6 Ų | 58.6 | 67% | 0.673 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -57.2 | -30.5 | -179.6 | -68.5 | -55.3 | 130.1 | 0 | 0 | 113.8 | K860 | K860-E863 WeakPolarHBondContact CE-OE1 3.44Å; K860-E863 IonicContact NZ-OE1 3.48Å; K860-E863 PolarHBondContact NZ-OE1 2.82Å; K860-E863 IonicContact NZ-OE2 3.25Å; K860-E863 PolarHBondContact NZ-OE2 3.4Å |
| 864 | L | 81.7 | Confident | 79 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -99.5 | -41.4 | -175.5 | -75.8 | 153.3 | 0 | 0 | 0 | 113.1 | N862 L878 M879 | N862-L864 PolarHBondContact O-N 2.8Å; N862-L864 PolarHBondContact OD1-N 2.82Å; L864-L878 WeakPolarHBondContact O-CA 3.31Å; L864-M879 PolarHBondContact O-N 3.08Å |
| 865 | W | 86.5 | Confident | 79.4 | Confident | 58 Ų | 58 | 56 Ų | 56 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124 | -167.8 | -70.4 | 99.8 | 0 | 0 | 0 | 112 | E846 E861 N862 L876 I877 L878 | E846-W865 HydrophobicContact CG-CH2 3.73Å; E846-W865 HydrophobicContact CG-CZ3 3.69Å; E861-W865 WeakPolarHBondContact CA-O 3.34Å; E861-W865 WeakPolarHBondContact CB-O 3.22Å; E861-W865 PolarHBondContact N-O 2.82Å; N862-W865 PolarHBondContact N-O 2.8Å; N862-W865 PolarHBondContact OD1-N 2.73Å; W865-L876 HydrophobicContact CB-CD2 4.48Å; W865-L876 HydrophobicContact CD2-CB 4.45Å; W865-L876 HydrophobicContact CE3-CB 3.64Å; W865-L876 HydrophobicContact CZ3-CB 4.08Å; W865-I877 WeakPolarHBondContact CA-O 3.28Å; W865-L878 HydrophobicContact CD2-CD2 3.77Å; W865-L878 HydrophobicContact CD2-CG 4.34Å; W865-L878 VanDerWaalsContact CE2-CD2 3.5Å; W865-L878 HydrophobicContact CE3-CD2 3.98Å; W865-L878 HydrophobicContact CE3-CG 4.05Å; W865-L878 HydrophobicContact CG-CD2 4.45Å; W865-L878 HydrophobicContact CH2-CD1 4.16Å; W865-L878 HydrophobicContact CH2-CD2 3.86Å; W865-L878 HydrophobicContact CH2-CG 3.67Å; W865-L878 HydrophobicContact CZ2-CD1 4.41Å; W865-L878 HydrophobicContact CZ2-CD2 3.57Å; W865-L878 HydrophobicContact CZ2-CG 3.93Å; W865-L878 HydrophobicContact CZ3-CD2 4.05Å; W865-L878 HydrophobicContact CZ3-CG 3.72Å |
| 866 | W | 87.7 | Confident | 79.6 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.6 | 179 | -64.6 | 12.6 | 0 | 0 | 0 | 108.8 | I857 R859 K860 L876 I877 M879 I884 | I857-W866 HydrophobicContact CB-CE3 4.38Å; I857-W866 HydrophobicContact CD1-CB 4.46Å; I857-W866 HydrophobicContact CD1-CE3 3.76Å; I857-W866 HydrophobicContact CD1-CZ3 4.49Å; I857-W866 HydrophobicContact CG1-CE3 3.94Å; I857-W866 HydrophobicContact CG1-CZ3 4.3Å; I857-W866 HydrophobicContact CG2-CB 4.48Å; I857-W866 HydrophobicContact CG2-CD2 4.4Å; I857-W866 HydrophobicContact CG2-CE3 3.55Å; I857-W866 HydrophobicContact CG2-CZ3 4.15Å; R859-W866 CarbonylContact O-C 3.54Å; R859-W866 WeakPolarHBondContact O-CA 3.25Å; K860-W866 HydrophobicContact CB-CG 4.49Å; K860-W866 HydrophobicContact CD-CZ2 4.45Å; W866-L876 CarbonylContact O-C 3.59Å; W866-L876 VanDerWaalsContact O-CA 3.28Å; W866-L876 WeakPolarHBondContact O-CA 3.48Å; W866-I877 HydrophobicContact CB-CG2 4.11Å; W866-I877 PolarHBondContact N-O 3.23Å; W866-I877 PolarHBondContact O-N 3.31Å; W866-M879 HydrophobicContact CD2-CB 4.42Å; W866-M879 HydrophobicContact CD2-CG 4.45Å; W866-M879 HydrophobicContact CH2-CG 4.17Å; W866-M879 HydrophobicContact CZ2-CB 4.34Å; W866-M879 HydrophobicContact CZ2-CG 3.59Å; W866-I884 HydrophobicContact CH2-CD1 3.79Å; W866-I884 HydrophobicContact CZ3-CD1 3.72Å; W866-I884 HydrophobicContact CZ3-CG1 4.22Å |
| 867 | R | 85.3 | Confident | 80.1 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 19% | 0.192 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118.5 | 173.7 | -174.6 | 144.3 | -77.1 | -153.4 | -4.8 | 108.8 | H858 R859 V874 G875 L876 | H858-R867 PolarHBondContact N-O 3.19Å; R859-R867 HydrophobicContact CG-CB 3.85Å; R859-R867 PolarHBondContact N-O 2.97Å; R859-R867 PolarHBondContact O-N 3.01Å; R867-V874 HydrophobicContact CG-CG1 3.8Å; R867-G875 WeakPolarHBondContact CA-O 3.49Å; R867-L876 HydrophobicContact CB-CD2 4.25Å |
| 868 | A | 86.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 169.2 | -177 | 0 | 0 | 0 | 0 | 0 | 110.5 | L847 V856 I857 V874 G875 I877 | L847-A868 HydrophobicContact CD1-CB 4.13Å; L847-A868 VanDerWaalsContact CD1-O 3.31Å; L847-A868 WeakPolarHBondContact CD1-O 3.45Å; V856-A868 CarbonylContact O-C 3.55Å; V856-A868 WeakPolarHBondContact O-CA 3.45Å; V856-A868 WeakPolarHBondContact O-CB 3.33Å; I857-A868 HydrophobicContact CD1-CB 3.82Å; A868-V874 WeakPolarHBondContact O-CA 3.36Å; A868-G875 PolarHBondContact N-O 3.2Å; A868-G875 PolarHBondContact O-N 2.92Å; A868-G875 VanDerWaalsContact O-O 3.06Å; A868-I877 HydrophobicContact CB-CB 4.4Å; A868-I877 HydrophobicContact CB-CG2 3.64Å |
| 869 | S | 81.5 | Confident | 80.3 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.7 | 166.6 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | V856 H858 K873 | V856-S869 PolarHBondContact N-O 2.71Å; V856-S869 PolarHBondContact O-N 3.08Å; H858-S869 VanDerWaalsContact NE2-CB 3.28Å; H858-S869 WeakPolarHBondContact NE2-CB 3.39Å; H858-S869 PolarHBondContact NE2-OG 2.81Å; S869-K873 CarbonylContact C-O 3.54Å; S869-K873 WeakPolarHBondContact CA-O 3.5Å; S869-K873 WeakPolarHBondContact CB-O 3.4Å |
| 870 | Y | 76.9 | Confident | 80.8 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 122.3 | 174.7 | 177.2 | -120.3 | 0 | 0 | 0 | 108.6 | S848 F849 P850 A853 V855 G872 K873 | S848-Y870 VanDerWaalsContact O-CD1 3.27Å; S848-Y870 WeakPolarHBondContact O-CD1 3.4Å; F849-Y870 HydrophobicContact CB-CD1 3.85Å; F849-Y870 HydrophobicContact CB-CE1 3.91Å; F849-Y870 HydrophobicContact CB-CG 4.25Å; P850-Y870 WeakPolarHBondContact CD-OH 3.3Å; P850-Y870 WeakPolarHBondContact CG-OH 3.43Å; A853-Y870 HydrophobicContact CB-CD2 4.12Å; A853-Y870 HydrophobicContact CB-CE2 3.61Å; V855-Y870 HydrophobicContact CG1-CD2 4.05Å; V855-Y870 HydrophobicContact CG1-CG 4.27Å; Y870-G872 VanDerWaalsContact C-N 3.29Å; Y870-G872 PolarHBondContact O-N 3.12Å; Y870-K873 PolarHBondContact N-O 3.3Å; Y870-K873 PolarHBondContact O-N 2.72Å; Y870-K873 VanDerWaalsContact O-N 3.09Å |
| 871 | C | 67.7 | Low | 80.9 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 70% | 0.696 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 46.5 | -178.6 | -62 | 0 | 0 | 0 | 0 | 113.6 | K873 | C871-K873 PolarHBondContact O-N 3.24Š|
| 872 | G | 61.5 | Low | 81.3 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 80% | 0.804 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -10.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y870 | Y870-G872 VanDerWaalsContact C-N 3.29Å; Y870-G872 PolarHBondContact O-N 3.12Å |
| 873 | K | 72.5 | Confident | 81.2 | Confident | 137 Ų | 137 | 58.8 Ų | 58.8 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.8 | 170.6 | -73.2 | -173.9 | 179.3 | 175.9 | 0 | 110.7 | L847 S869 Y870 C871 | L847-K873 HydrophobicContact CD2-CB 3.88Å; S869-K873 CarbonylContact C-O 3.54Å; S869-K873 WeakPolarHBondContact CA-O 3.5Å; S869-K873 WeakPolarHBondContact CB-O 3.4Å; Y870-K873 PolarHBondContact N-O 3.3Å; Y870-K873 PolarHBondContact O-N 2.72Å; Y870-K873 VanDerWaalsContact O-N 3.09Å; C871-K873 PolarHBondContact O-N 3.24Å |
| 874 | V | 79.6 | Confident | 81.3 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 131.5 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | R867 A868 | R867-V874 HydrophobicContact CG-CG1 3.8Å; A868-V874 WeakPolarHBondContact O-CA 3.36Å |
| 875 | G | 85.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | -173.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I845 R867 A868 | I845-G875 CarbonylContact O-C 3.59Å; I845-G875 VanDerWaalsContact O-CA 3.3Å; I845-G875 WeakPolarHBondContact O-CA 3.37Å; R867-G875 WeakPolarHBondContact CA-O 3.49Å; A868-G875 PolarHBondContact N-O 3.2Å; A868-G875 PolarHBondContact O-N 2.92Å; A868-G875 VanDerWaalsContact O-O 3.06Å |
| 876 | L | 89.3 | Confident | 79.1 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.6 | -178.5 | -64 | 176.6 | 0 | 0 | 0 | 111.9 | I845 E846 L847 E861 W865 W866 R867 | I845-L876 HydrophobicContact CD1-CD1 3.79Å; I845-L876 HydrophobicContact CG1-CD1 4.2Å; I845-L876 PolarHBondContact O-N 2.88Å; E846-L876 WeakPolarHBondContact CA-O 3.37Å; E846-L876 HydrophobicContact CG-CB 4.36Å; L847-L876 PolarHBondContact N-O 2.95Å; E861-L876 HydrophobicContact CB-CD2 4.22Å; E861-L876 HydrophobicContact CG-CD2 4.34Å; W865-L876 HydrophobicContact CB-CD2 4.48Å; W865-L876 HydrophobicContact CD2-CB 4.45Å; W865-L876 HydrophobicContact CE3-CB 3.64Å; W865-L876 HydrophobicContact CZ3-CB 4.08Å; W866-L876 CarbonylContact O-C 3.59Å; W866-L876 VanDerWaalsContact O-CA 3.28Å; W866-L876 WeakPolarHBondContact O-CA 3.48Å; R867-L876 HydrophobicContact CB-CD2 4.25Å |
| 877 | I | 89.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.7 | 175.2 | -168.7 | 158.6 | 0 | 0 | 0 | 110.3 | T835 F849 V855 I857 W865 W866 A868 V882 | T835-I877 HydrophobicContact CG2-CD1 4.02Å; F849-I877 HydrophobicContact CD1-CD1 3.76Å; F849-I877 HydrophobicContact CD1-CG1 4.42Å; F849-I877 HydrophobicContact CE1-CB 4.32Å; F849-I877 HydrophobicContact CE1-CD1 3.19Å; F849-I877 HydrophobicContact CE1-CG1 3.43Å; F849-I877 VanDerWaalsContact CE1-CG1 3.43Å; F849-I877 HydrophobicContact CE2-CD1 4.1Å; F849-I877 HydrophobicContact CG-CD1 4.43Å; F849-I877 HydrophobicContact CZ-CD1 3.37Å; F849-I877 HydrophobicContact CZ-CG1 3.51Å; V855-I877 HydrophobicContact CG1-CD1 4.23Å; V855-I877 HydrophobicContact CG2-CD1 4.19Å; I857-I877 HydrophobicContact CD1-CG2 3.94Å; W865-I877 WeakPolarHBondContact CA-O 3.28Å; W866-I877 HydrophobicContact CB-CG2 4.11Å; W866-I877 PolarHBondContact N-O 3.23Å; W866-I877 PolarHBondContact O-N 3.31Å; A868-I877 HydrophobicContact CB-CB 4.4Å; A868-I877 HydrophobicContact CB-CG2 3.64Å; I877-V882 HydrophobicContact CD1-CG2 3.26Å; I877-V882 HydrophobicContact CG1-CG2 3.56Å; I877-V882 HydrophobicContact CG2-CG2 4.22Å |
| 878 | L | 87.7 | Confident | 74.4 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.7 | 174.8 | -74.4 | 169.1 | 0 | 0 | 0 | 110.9 | L864 W865 E880 R881 | L864-L878 WeakPolarHBondContact O-CA 3.31Å; W865-L878 HydrophobicContact CD2-CD2 3.77Å; W865-L878 HydrophobicContact CD2-CG 4.34Å; W865-L878 VanDerWaalsContact CE2-CD2 3.5Å; W865-L878 HydrophobicContact CE3-CD2 3.98Å; W865-L878 HydrophobicContact CE3-CG 4.05Å; W865-L878 HydrophobicContact CG-CD2 4.45Å; W865-L878 HydrophobicContact CH2-CD1 4.16Å; W865-L878 HydrophobicContact CH2-CD2 3.86Å; W865-L878 HydrophobicContact CH2-CG 3.67Å; W865-L878 HydrophobicContact CZ2-CD1 4.41Å; W865-L878 HydrophobicContact CZ2-CD2 3.57Å; W865-L878 HydrophobicContact CZ2-CG 3.93Å; W865-L878 HydrophobicContact CZ3-CD2 4.05Å; W865-L878 HydrophobicContact CZ3-CG 3.72Å; L878-E880 VanDerWaalsContact C-N 3.32Å; L878-E880 HydrophobicContact CB-CG 4.24Å; L878-E880 PolarHBondContact O-N 3.26Å; L878-R881 HydrophobicContact CB-CG 4.08Å; L878-R881 WeakPolarHBondContact O-CB 3.46Å; L878-R881 PolarHBondContact O-N 3.15Å |
| 879 | M | 80.5 | Confident | 71.4 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -56.2 | -42.6 | -178.4 | 178.4 | -92.7 | -171.8 | 0 | 0 | 112.8 | L864 W866 R881 V882 | L864-M879 PolarHBondContact O-N 3.08Å; W866-M879 HydrophobicContact CD2-CB 4.42Å; W866-M879 HydrophobicContact CD2-CG 4.45Å; W866-M879 HydrophobicContact CH2-CG 4.17Å; W866-M879 HydrophobicContact CZ2-CB 4.34Å; W866-M879 HydrophobicContact CZ2-CG 3.59Å; M879-R881 PolarHBondContact O-N 3.24Å; M879-V882 PolarHBondContact O-N 3.14Å |
| 880 | E | 83.2 | Confident | 68.8 | Low | 124 Ų | 124 | 73.9 Ų | 73.9 | 58% | 0.579 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -58.5 | -20.7 | 178.6 | 65.3 | 177.4 | -172.8 | 0 | 0 | 113.9 | L878 | L878-E880 VanDerWaalsContact C-N 3.32Å; L878-E880 HydrophobicContact CB-CG 4.24Å; L878-E880 PolarHBondContact O-N 3.26Å |
| 881 | R | 83.4 | Confident | 66.4 | Low | 59 Ų | 59 | 79.8 Ų | 79.8 | 22% | 0.223 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -93.7 | -4.2 | -179 | -59.1 | -170.5 | 176.5 | -131.1 | 4.4 | 113.2 | T835 R836 A838 F849 L878 M879 | T835-R881 CarbonylContact C-O 3.47Å; T835-R881 VanDerWaalsContact CA-O 3.25Å; T835-R881 WeakPolarHBondContact CA-O 3.43Å; R836-R881 PolarHBondContact N-O 3.25Å; A838-R881 PolarHBondContact O-NH1 3.28Å; F849-R881 HydrophobicContact CE2-CB 4.48Å; F849-R881 HydrophobicContact CZ-CB 4.45Å; L878-R881 HydrophobicContact CB-CG 4.08Å; L878-R881 WeakPolarHBondContact O-CB 3.46Å; L878-R881 PolarHBondContact O-N 3.15Å; M879-R881 PolarHBondContact O-N 3.24Å |
| 882 | V | 81.2 | Confident | 64.5 | Low | 13 Ų | 13 | 84 Ų | 84 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.3 | -176 | -173.3 | 0 | 0 | 0 | 0 | 110 | V855 I857 I877 M879 | V855-V882 HydrophobicContact CG2-CG1 3.87Å; V855-V882 HydrophobicContact CG2-CG2 4.29Å; I857-V882 HydrophobicContact CD1-CG1 4.25Å; I877-V882 HydrophobicContact CD1-CG2 3.26Å; I877-V882 HydrophobicContact CG1-CG2 3.56Å; I877-V882 HydrophobicContact CG2-CG2 4.22Å; M879-V882 PolarHBondContact O-N 3.14Å |
| 883 | E | 81.5 | Confident | 62.7 | Low | 78 Ų | 78 | 85.7 Ų | 85.7 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.4 | 167.2 | -176.9 | 175.6 | 169.1 | 0 | 0 | 108.7 | G833 L834 L885 | G833-E883 CarbonylContact C-O 3.56Å; G833-E883 WeakPolarHBondContact CA-O 3.38Å; L834-E883 PolarHBondContact N-O 2.84Å; L834-E883 PolarHBondContact O-N 2.93Å; E883-L885 PolarHBondContact O-N 3.48Å |
| 884 | I | 78.8 | Confident | 60.4 | Low | 46 Ų | 46 | 90 Ų | 90 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.1 | 177.1 | -58.9 | -178.2 | 0 | 0 | 0 | 108.3 | R831 W866 H886 | R831-I884 HydrophobicContact CB-CG2 4.38Å; W866-I884 HydrophobicContact CH2-CD1 3.79Å; W866-I884 HydrophobicContact CZ3-CD1 3.72Å; W866-I884 HydrophobicContact CZ3-CG1 4.22Å; I884-H886 PolarHBondContact O-N 2.82Å; I884-H886 VanDerWaalsContact O-N 3.09Å |
| 885 | L | 68.7 | Low | 57.9 | Low | 48 Ų | 48 | 94.6 Ų | 94.6 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | trans | -75.3 | 99.6 | 169.5 | -62.5 | 178.2 | 0 | 0 | 0 | 106.8 | V832 L834 E883 W889 | V832-L885 HydrophobicContact CG1-CD1 4.13Å; V832-L885 PolarHBondContact O-N 3.31Å; L834-L885 HydrophobicContact CB-CD1 4.26Å; L834-L885 HydrophobicContact CB-CD2 4.04Å; L834-L885 HydrophobicContact CB-CG 4.12Å; E883-L885 PolarHBondContact O-N 3.48Å; L885-W889 HydrophobicContact CD2-CH2 4.4Å; L885-W889 HydrophobicContact CD2-CZ2 4.38Å | ||
| 886 | H | 51.3 | Low | 55 | Low | 125 Ų | 125 | 100 Ų | 100 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | trans | -66.3 | 138.5 | 167.4 | -83.6 | -94.2 | 0 | 0 | 0 | 108.4 | I884 S888 | I884-H886 PolarHBondContact O-N 2.82Å; I884-H886 VanDerWaalsContact O-N 3.09Å; H886-S888 PolarHBondContact O-N 3.07Å | ||
| 887 | P | 41 | Very low | 52 | Low | 139 Ų | 139 | 103 Ų | 103 | 90% | 0.903 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -61.2 | -4.4 | -179.1 | -21.4 | 31.7 | 0 | 0 | 0 | 115 | W889 | P887-W889 PolarHBondContact O-N 3.49Š|
| 888 | S | 34 | Very low | 49.1 | Very low | 82 Ų | 82 | 113 Ų | 113 | 57% | 0.573 | 59% | 0.594 | S | S | * | * | trans | -100.5 | 63.9 | -179.3 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | H886 S890 | H886-S888 PolarHBondContact O-N 3.07Å; S888-S890 VanDerWaalsContact C-N 3.32Å | ||
| 889 | W | 24.4 | Very low | 46.4 | Very low | 199 Ų | 199 | 119.3 Ų | 119.3 | 75% | 0.754 | 62% | 0.623 | S | S | * | * | trans | -95.8 | 78.1 | 154.1 | -79.9 | 12.2 | 0 | 0 | 0 | 107.6 | L885 P887 | L885-W889 HydrophobicContact CD2-CH2 4.4Å; L885-W889 HydrophobicContact CD2-CZ2 4.38Å; P887-W889 PolarHBondContact O-N 3.49Å | ||
| 890 | S | 26.9 | Very low | 44.8 | Very low | 86 Ų | 86 | 118 Ų | 118 | 60% | 0.601 | 62% | 0.62 | S | S | * | * | trans | -76.7 | 113.9 | 169.4 | 47 | 0 | 0 | 0 | 0 | 110.1 | S888 E892 | S888-S890 VanDerWaalsContact C-N 3.32Å; S890-E892 PolarHBondContact O-N 2.94Å | ||
| 891 | N | 26.7 | Very low | 43.5 | Very low | 161 Ų | 161 | 120 Ų | 120 | 86% | 0.861 | 63% | 0.629 | S | S | * | * | trans | 43 | 25.6 | 135.5 | -74.2 | -6.1 | 0 | 0 | 0 | 122.6 | S893 | N891-S893 VanDerWaalsContact C-N 3.35Å; N891-S893 PolarHBondContact O-N 2.83Å | ||
| 892 | E | 26.1 | Very low | 42.9 | Very low | 192 Ų | 192 | 119.7 Ų | 119.7 | 90% | 0.897 | 63% | 0.634 | S | S | * | * | trans | -88.3 | 21.5 | 177.9 | -76.8 | -166.6 | 165.9 | 0 | 0 | 116.3 | S890 | S890-E892 PolarHBondContact O-N 2.94Š| ||
| 893 | S | 24.9 | Very low | 42.9 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 65% | 0.648 | S | S | * | * | trans | -143.6 | 65.3 | 177 | 37.1 | 0 | 0 | 0 | 0 | 113.9 | N891 | N891-S893 VanDerWaalsContact C-N 3.35Å; N891-S893 PolarHBondContact O-N 2.83Å | ||
| 894 | R | 24.3 | Very low | 43 | Very low | 229 Ų | 229 | 122.2 Ų | 122.2 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | trans | -121.6 | 112 | 153.6 | -75 | -173.5 | 179.1 | -179.1 | 0.6 | 108.7 | ||||
| 895 | N | 25.9 | Very low | 43.3 | Very low | 157 Ų | 157 | 120 Ų | 120 | 84% | 0.84 | 64% | 0.638 | S | S | * | * | trans | -58.8 | 143.3 | 178.5 | -75 | -34.3 | 0 | 0 | 0 | 110.5 | S897 | N895-S897 PolarHBondContact O-N 2.89Š| ||
| 896 | A | 24.8 | Very low | 44.1 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 94% | 0.942 | 64% | 0.638 | S | S | * | * | trans | -58.3 | 91.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 897 | S | 26.8 | Very low | 45.8 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 58% | 0.58 | 61% | 0.611 | S | S | * | * | trans | -107.7 | 132.5 | 142.8 | 36.5 | 0 | 0 | 0 | 0 | 106.4 | N895 E899 | N895-S897 PolarHBondContact O-N 2.89Å; S897-E899 PolarHBondContact O-N 3.49Å | ||
| 898 | Q | 28.7 | Very low | 47.6 | Very low | 209 Ų | 209 | 109.3 Ų | 109.3 | 98% | 0.977 | 58% | 0.582 | S | S | * | * | trans | -63.1 | 72.4 | 177.8 | -113.4 | 173.8 | -22.4 | 0 | 0 | 109.8 | ||||
| 899 | E | 30.4 | Very low | 49.6 | Very low | 154 Ų | 154 | 109.5 Ų | 109.5 | 72% | 0.72 | 57% | 0.574 | S | S | * | * | trans | -80.9 | 128.2 | 170.8 | -74.4 | -176.6 | 165.5 | 0 | 0 | 108.2 | S897 E901 | S897-E899 PolarHBondContact O-N 3.49Å; E899-E901 PolarHBondContact O-N 3.5Å | ||
| 900 | V | 47.6 | Very low | 52.5 | Low | 66 Ų | 66 | 100.2 Ų | 100.2 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | trans | -67.4 | 115.1 | 172 | 178 | 0 | 0 | 0 | 0 | 107.6 | Y553 V902 | Y553-V900 HydrophobicContact CD2-CG1 3.83Å; Y553-V900 HydrophobicContact CG-CG1 4.12Å; V900-V902 PolarHBondContact O-N 2.67Å; V900-V902 VanDerWaalsContact O-N 3.12Å | ||
| 901 | E | 55.5 | Low | 55.4 | Low | 166 Ų | 166 | 100.7 Ų | 100.7 | 78% | 0.776 | 54% | 0.535 | S | S | * | . | trans | -73.1 | 103.3 | 178.1 | -166.6 | 169.3 | -165.9 | 0 | 0 | 109.1 | E899 | E899-E901 PolarHBondContact O-N 3.5Š| ||
| 902 | V | 71.7 | Confident | 58.4 | Low | 53 Ų | 53 | 93.7 Ų | 93.7 | 32% | 0.321 | 50% | 0.499 | S | S | . | . | trans | -89.3 | 116.5 | 174.8 | -179 | 0 | 0 | 0 | 0 | 108.8 | C551 Y553 V900 | C551-V902 HydrophobicContact CB-CG1 3.98Å; Y553-V902 HydrophobicContact CD1-CG2 4.35Å; Y553-V902 HydrophobicContact CG-CG2 4.5Å; V900-V902 PolarHBondContact O-N 2.67Å; V900-V902 VanDerWaalsContact O-N 3.12Å | ||
| 903 | E | 81 | Confident | 61.6 | Low | 81 Ų | 81 | 89 Ų | 89 | 38% | 0.379 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 150.1 | 172.6 | -65.2 | -169.2 | -174 | 0 | 0 | 110.4 | C551 Y552 | C551-E903 CarbonylContact C-O 3.59Å; C551-E903 VanDerWaalsContact CA-O 3.26Å; C551-E903 WeakPolarHBondContact CA-O 3.43Å; Y552-E903 HydrophobicContact CD1-CB 4.37Å; Y552-E903 HydrophobicContact CD2-CB 4.05Å; Y552-E903 HydrophobicContact CE1-CB 3.9Å; Y552-E903 HydrophobicContact CE2-CB 3.52Å; Y552-E903 HydrophobicContact CE2-CG 4.05Å; Y552-E903 WeakPolarHBondContact CE2-OE2 3.45Å; Y552-E903 HydrophobicContact CG-CB 4.43Å; Y552-E903 VanDerWaalsContact CZ-CB 3.43Å; Y552-E903 PolarHBondContact N-O 3.23Å; Y552-E903 PolarHBondContact O-N 3.07Å; Y552-E903 PolarHBondContact OH-OE2 3.03Å |
| 904 | T | 83.5 | Confident | 64.9 | Low | 63 Ų | 63 | 87.8 Ų | 87.8 | 39% | 0.387 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.6 | -176.5 | -58 | 0 | 0 | 0 | 0 | 111 | R549 L550 | R549-T904 HydrophobicContact CB-CG2 3.99Å; R549-T904 HydrophobicContact CG-CG2 4.29Å; L550-T904 CarbonylContact O-C 3.55Å; L550-T904 WeakPolarHBondContact O-CA 3.46Å |
| 905 | L | 85.2 | Confident | 68.2 | Low | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.5 | 172.9 | -67.4 | 171 | 0 | 0 | 0 | 110.4 | R549 L550 Y552 I925 E927 R935 I937 | R549-L905 CarbonylContact C-O 3.49Å; R549-L905 VanDerWaalsContact CA-O 3.26Å; R549-L905 WeakPolarHBondContact CA-O 3.38Å; R549-L905 WeakPolarHBondContact CB-O 3.39Å; L550-L905 PolarHBondContact N-O 2.72Å; L550-L905 PolarHBondContact O-N 2.9Å; Y552-L905 HydrophobicContact CE1-CD1 4.02Å; Y552-L905 HydrophobicContact CE1-CG 4.16Å; L905-I925 HydrophobicContact CD1-CG2 4.19Å; L905-E927 HydrophobicContact CD2-CB 4.37Å; L905-R935 HydrophobicContact CD2-CB 3.76Å; L905-I937 HydrophobicContact CD1-CD1 3.57Å; L905-I937 HydrophobicContact CD1-CG1 3.92Å |
| 906 | S | 85 | Confident | 71.1 | Confident | 37 Ų | 37 | 80 Ų | 80 | 26% | 0.259 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 134.3 | 175.7 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | T908 C910 E927 | S906-T908 VanDerWaalsContact C-N 3.34Å; S906-T908 PolarHBondContact OG-N 2.8Å; S906-T908 PolarHBondContact OG-OG1 3.3Å; S906-C910 WeakPolarHBondContact O-CB 3.41Å; S906-E927 VanDerWaalsContact CB-OE1 3.26Å; S906-E927 WeakPolarHBondContact CB-OE1 3.42Å; S906-E927 PolarHBondContact N-OE1 3.3Å |
| 907 | L | 86.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -79.1 | -15.8 | 174.6 | -67.1 | -179.5 | 0 | 0 | 0 | 113.4 | L545 F546 D548 L550 Q909 C910 I954 L957 S958 A961 | L545-L907 HydrophobicContact CD1-CD1 3.7Å; L545-L907 HydrophobicContact CD1-CD2 4.11Å; L545-L907 HydrophobicContact CD1-CG 4.41Å; F546-L907 VanDerWaalsContact O-CD1 3.27Å; F546-L907 WeakPolarHBondContact O-CD1 3.48Å; D548-L907 WeakPolarHBondContact O-CB 3.49Å; D548-L907 PolarHBondContact O-N 3.31Å; L550-L907 HydrophobicContact CB-CD2 4.43Å; L907-Q909 PolarHBondContact O-N 2.72Å; L907-C910 HydrophobicContact CD2-CB 3.96Å; L907-C910 PolarHBondContact O-N 3.12Å; L907-I954 HydrophobicContact CD2-CG2 4.18Å; L907-L957 HydrophobicContact CD1-CB 3.77Å; L907-S958 VanDerWaalsContact O-CA 3.31Å; L907-S958 WeakPolarHBondContact O-CA 3.34Å; L907-S958 WeakPolarHBondContact O-CB 3.48Å; L907-S958 PolarHBondContact O-OG 2.77Å; L907-A961 HydrophobicContact CB-CB 4.08Å |
| 908 | T | 79.8 | Confident | 77 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -64.6 | -14.2 | -175.3 | 58 | 0 | 0 | 0 | 0 | 114.7 | S906 A961 S962 A965 | S906-T908 VanDerWaalsContact C-N 3.34Å; S906-T908 PolarHBondContact OG-N 2.8Å; S906-T908 PolarHBondContact OG-OG1 3.3Å; T908-A961 HydrophobicContact CG2-CB 4.04Å; T908-S962 PolarHBondContact O-OG 3.4Å; T908-A965 HydrophobicContact CG2-CB 3.95Å |
| 909 | Q | 75.1 | Confident | 79.7 | Confident | 86 Ų | 86 | 67.6 Ų | 67.6 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -142.5 | 30.1 | 175.9 | -61.4 | -172 | -49.5 | 0 | 0 | 111 | L907 Q928 | L907-Q909 PolarHBondContact O-N 2.72Å; Q909-Q928 HydrophobicContact CB-CB 4.35Å; Q909-Q928 PolarHBondContact O-N 2.94Å; Q909-Q928 PolarHBondContact OE1-O 2.95Å |
| 910 | C | 86.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.034 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.5 | -176.4 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | S906 L907 I925 C926 S958 | S906-C910 WeakPolarHBondContact O-CB 3.41Å; L907-C910 HydrophobicContact CD2-CB 3.96Å; L907-C910 PolarHBondContact O-N 3.12Å; C910-I925 WeakPolarHBondContact SG-CG2 3.36Å; C910-C926 WeakPolarHBondContact CA-O 3.49Å; C910-S958 WeakPolarHBondContact O-CB 3.26Å; C910-S958 PolarHBondContact O-OG 3.36Å |
| 911 | L | 86.4 | Confident | 84.7 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.1 | 166.6 | -72 | 171 | 0 | 0 | 0 | 109.2 | I925 C926 Q928 | L911-I925 CarbonylContact O-C 3.54Å; L911-I925 WeakPolarHBondContact O-CA 3.43Å; L911-C926 PolarHBondContact N-O 2.79Å; L911-C926 PolarHBondContact O-N 3.46Å; L911-Q928 HydrophobicContact CD1-CG 3.94Å |
| 912 | A | 91.3 | Very high | 86.6 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 12% | 0.116 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109 | R924 I925 L951 I954 V955 | A912-R924 VanDerWaalsContact CA-O 3.29Å; A912-R924 WeakPolarHBondContact CA-O 3.43Å; A912-I925 HydrophobicContact CB-CG1 4.34Å; A912-L951 VanDerWaalsContact C-CD1 3.48Å; A912-L951 HydrophobicContact CB-CD1 3.74Å; A912-L951 VanDerWaalsContact O-CD1 3.25Å; A912-L951 WeakPolarHBondContact O-CD1 3.26Å; A912-I954 HydrophobicContact CB-CB 4.18Å; A912-I954 HydrophobicContact CB-CG2 3.72Å; A912-V955 HydrophobicContact CB-CG2 4.33Å |
| 913 | E | 92.8 | Very high | 87.7 | Confident | 95 Ų | 95 | 54 Ų | 54 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 154.4 | 178.2 | 63.8 | 178.8 | -169.7 | 0 | 0 | 111.2 | L923 R924 | E913-L923 CarbonylContact O-C 3.43Å; E913-L923 VanDerWaalsContact O-CA 3.3Å; E913-L923 WeakPolarHBondContact O-CA 3.49Å; E913-R924 HydrophobicContact CG-CB 4.05Å; E913-R924 PolarHBondContact N-O 2.87Å; E913-R924 PolarHBondContact O-N 3.17Å; E913-R924 IonicContact OE1-CZ 2.85Å; E913-R924 IonicContact OE1-NE 2.56Å; E913-R924 IonicContact OE1-NH1 3.58Å; E913-R924 PolarHBondContact OE1-NH1 2.89Å |
| 914 | V | 94.6 | Very high | 88.2 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 53% | 0.527 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.3 | 172.2 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | L923 L951 | V914-L923 HydrophobicContact CG2-CD2 3.92Å; V914-L951 HydrophobicContact CG2-CD2 3.91Å |
| 915 | V | 92.2 | Very high | 88.6 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | trans | -131 | 143.9 | 178.5 | 69 | 0 | 0 | 0 | 0 | 110.4 | S922 R924 I938 | V915-S922 PolarHBondContact N-O 3.25Å; V915-S922 VanDerWaalsContact N-O 3.11Å; V915-S922 WeakPolarHBondContact O-CB 3.35Å; V915-R924 HydrophobicContact CB-CB 4.29Å; V915-R924 HydrophobicContact CG1-CB 4.11Å; V915-I938 HydrophobicContact CG1-CG2 4.14Å | ||
| 916 | E | 87.8 | Confident | 88.7 | Confident | 196 Ų | 196 | 52.4 Ų | 52.4 | 92% | 0.916 | 28% | 0.282 | S | S | * | . | trans | -76.7 | 127.8 | 168.7 | -69.4 | -173.9 | 172.5 | 0 | 0 | 110.1 | ||||
| 917 | S | 87 | Confident | 88.5 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | trans | -148.3 | 177.5 | 178.9 | -166.2 | 0 | 0 | 0 | 0 | 109.5 | K531 W538 K919 | K531-S917 PolarHBondContact NZ-OG 3.09Å; W538-S917 WeakPolarHBondContact CZ2-OG 3.46Å; S917-K919 PolarHBondContact O-N 3.29Å; S917-K919 VanDerWaalsContact O-N 3.13Å | ||
| 918 | S | 87.5 | Confident | 87.7 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 43% | 0.434 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -64.8 | -17.8 | -177 | 61 | 0 | 0 | 0 | 0 | 113.9 | W538 | W538-S918 PolarHBondContact NE1-OG 3.4Š|
| 919 | K | 86.4 | Confident | 86.5 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -109.4 | 134.6 | 172.4 | -161.4 | 172.2 | -178 | -162.9 | 0 | 110.6 | Y529 W538 S917 S922 A940 | Y529-K919 VanDerWaalsContact CE2-NZ 3.27Å; W538-K919 HydrophobicContact CB-CD 4.36Å; W538-K919 HydrophobicContact CD2-CB 3.89Å; W538-K919 HydrophobicContact CD2-CD 3.96Å; W538-K919 HydrophobicContact CE3-CB 4.43Å; W538-K919 HydrophobicContact CE3-CD 4.23Å; W538-K919 HydrophobicContact CG-CB 4.36Å; W538-K919 HydrophobicContact CG-CD 4.03Å; W538-K919 HydrophobicContact CH2-CB 4.07Å; W538-K919 HydrophobicContact CZ2-CB 3.48Å; W538-K919 VanDerWaalsContact CZ2-CB 3.48Å; S917-K919 PolarHBondContact O-N 3.29Å; S917-K919 VanDerWaalsContact O-N 3.13Å; K919-S922 PolarHBondContact O-OG 3.06Å; K919-A940 HydrophobicContact CB-CB 4.13Å; K919-A940 HydrophobicContact CD-CB 3.85Å; K919-A940 HydrophobicContact CG-CB 4.07Å |
| 920 | P | 88.7 | Confident | 85.3 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 53% | 0.532 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -62.6 | 162.1 | 175 | 27.9 | -35.6 | 0 | 0 | 0 | 111 | S922 | P920-S922 VanDerWaalsContact C-N 3.32Å; P920-S922 PolarHBondContact O-N 2.97Å |
| 921 | F | 94.5 | Very high | 83.3 | Confident | 67 Ų | 67 | 64 Ų | 64 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 63.7 | 35 | 176.5 | -37.9 | -52.1 | 0 | 0 | 0 | 114 | A940 A941 Q944 Q947 | F921-A940 WeakPolarHBondContact O-CA 3.14Å; F921-A941 HydrophobicContact CB-CB 4.3Å; F921-A941 PolarHBondContact O-N 3.07Å; F921-Q944 HydrophobicContact CD1-CB 3.79Å; F921-Q944 HydrophobicContact CD1-CG 4.46Å; F921-Q944 HydrophobicContact CE1-CB 3.65Å; F921-Q944 HydrophobicContact CE1-CG 4.5Å; F921-Q944 HydrophobicContact CZ-CB 4.47Å; F921-Q947 VanDerWaalsContact C-CD 3.42Å; F921-Q947 VanDerWaalsContact CA-CD 3.41Å; F921-Q947 HydrophobicContact CB-CB 4Å; F921-Q947 HydrophobicContact CB-CG 4.38Å |
| 922 | S | 94.7 | Very high | 81.4 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 139.6 | -178 | -71 | 0 | 0 | 0 | 0 | 113.5 | W538 V915 K919 P920 V939 Q947 | W538-S922 WeakPolarHBondContact CH2-OG 3.45Å; V915-S922 PolarHBondContact N-O 3.25Å; V915-S922 VanDerWaalsContact N-O 3.11Å; V915-S922 WeakPolarHBondContact O-CB 3.35Å; K919-S922 PolarHBondContact O-OG 3.06Å; P920-S922 VanDerWaalsContact C-N 3.32Å; P920-S922 PolarHBondContact O-N 2.97Å; S922-V939 CarbonylContact C-O 3.55Å; S922-V939 WeakPolarHBondContact CA-O 3.33Å; S922-Q947 PolarHBondContact O-NE2 3.37Å |
| 923 | L | 94.8 | Very high | 79.6 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.2 | 172.8 | -62.3 | 175.6 | 0 | 0 | 0 | 109.7 | E913 V914 I938 V939 Q947 W950 L951 | E913-L923 CarbonylContact O-C 3.43Å; E913-L923 VanDerWaalsContact O-CA 3.3Å; E913-L923 WeakPolarHBondContact O-CA 3.49Å; V914-L923 HydrophobicContact CG2-CD2 3.92Å; L923-I938 WeakPolarHBondContact O-CA 3.01Å; L923-V939 HydrophobicContact CB-CG2 3.91Å; L923-V939 PolarHBondContact N-O 3.38Å; L923-V939 PolarHBondContact O-N 3.41Å; L923-Q947 HydrophobicContact CD1-CG 4.27Å; L923-Q947 HydrophobicContact CD2-CG 3.6Å; L923-Q947 HydrophobicContact CG-CG 3.8Å; L923-W950 HydrophobicContact CD1-CB 4.02Å; L923-L951 HydrophobicContact CD1-CB 4.31Å; L923-L951 HydrophobicContact CD2-CB 4.06Å; L923-L951 HydrophobicContact CD2-CD1 4.2Å |
| 924 | R | 92.5 | Very high | 78 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 30% | 0.298 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.6 | 162.8 | -177.4 | -170.4 | -71 | 144.7 | 12.9 | 108 | A912 E913 V915 E936 | A912-R924 VanDerWaalsContact CA-O 3.29Å; A912-R924 WeakPolarHBondContact CA-O 3.43Å; E913-R924 HydrophobicContact CG-CB 4.05Å; E913-R924 PolarHBondContact N-O 2.87Å; E913-R924 PolarHBondContact O-N 3.17Å; E913-R924 IonicContact OE1-CZ 2.85Å; E913-R924 IonicContact OE1-NE 2.56Å; E913-R924 IonicContact OE1-NH1 3.58Å; E913-R924 PolarHBondContact OE1-NH1 2.89Å; V915-R924 HydrophobicContact CB-CB 4.29Å; V915-R924 HydrophobicContact CG1-CB 4.11Å; R924-E936 VanDerWaalsContact CD-OE1 3.3Å; R924-E936 WeakPolarHBondContact CD-OE1 3.29Å; R924-E936 HydrophobicContact CG-CG 3.92Å; R924-E936 IonicContact CZ-OE1 3.51Å; R924-E936 IonicContact NE-OE1 3.95Å; R924-E936 PolarHBondContact NE-OE1 2.96Å |
| 925 | I | 91.9 | Very high | 77.1 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.5 | 174.4 | -54.6 | 170.5 | 0 | 0 | 0 | 107.5 | L550 L905 C910 L911 A912 E936 I937 V939 I954 | L550-I925 HydrophobicContact CD2-CD1 3.87Å; L550-I925 HydrophobicContact CD2-CG2 4.47Å; L905-I925 HydrophobicContact CD1-CG2 4.19Å; C910-I925 WeakPolarHBondContact SG-CG2 3.36Å; L911-I925 CarbonylContact O-C 3.54Å; L911-I925 WeakPolarHBondContact O-CA 3.43Å; A912-I925 HydrophobicContact CB-CG1 4.34Å; I925-E936 WeakPolarHBondContact O-CA 3.47Å; I925-I937 HydrophobicContact CB-CD1 4.38Å; I925-I937 HydrophobicContact CB-CG1 3.84Å; I925-I937 HydrophobicContact CD1-CD1 4.34Å; I925-I937 PolarHBondContact N-O 2.84Å; I925-I937 PolarHBondContact O-N 2.96Å; I925-V939 HydrophobicContact CD1-CG2 3.76Å; I925-V939 HydrophobicContact CG1-CG2 4.34Å; I925-I954 HydrophobicContact CD1-CD1 3.7Å; I925-I954 HydrophobicContact CG1-CD1 4.33Å |
| 926 | C | 86.8 | Confident | 76.7 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129 | -173.4 | -177 | 0 | 0 | 0 | 0 | 111.3 | C910 L911 R935 | C910-C926 WeakPolarHBondContact CA-O 3.49Å; L911-C926 PolarHBondContact N-O 2.79Å; L911-C926 PolarHBondContact O-N 3.46Å; C926-R935 WeakPolarHBondContact CA-O 3.31Å |
| 927 | E | 80.8 | Confident | 76.9 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 24% | 0.243 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.8 | 167.7 | -175.3 | 172.3 | -135.5 | 0 | 0 | 109 | L905 S906 A929 G934 R935 | L905-E927 HydrophobicContact CD2-CB 4.37Å; S906-E927 VanDerWaalsContact CB-OE1 3.26Å; S906-E927 WeakPolarHBondContact CB-OE1 3.42Å; S906-E927 PolarHBondContact N-OE1 3.3Å; E927-A929 PolarHBondContact O-N 2.9Å; E927-G934 VanDerWaalsContact O-CA 3.29Å; E927-G934 WeakPolarHBondContact O-CA 3.43Å; E927-R935 PolarHBondContact N-O 3.25Å |
| 928 | Q | 69.6 | Low | 77.1 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 51% | 0.514 | 38% | 0.38 | S | S | . | . | trans | -70.4 | 93 | 177.6 | -75.2 | -166.9 | -25.1 | 0 | 0 | 110.9 | Q909 L911 | Q909-Q928 HydrophobicContact CB-CB 4.35Å; Q909-Q928 PolarHBondContact O-N 2.94Å; Q909-Q928 PolarHBondContact OE1-O 2.95Å; L911-Q928 HydrophobicContact CD1-CG 3.94Å | ||
| 929 | A | 53.7 | Low | 77.5 | Confident | 46 Ų | 46 | 68 Ų | 68 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | trans | -72.8 | 132.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E927 A931 | E927-A929 PolarHBondContact O-N 2.9Å; A929-A931 PolarHBondContact O-N 2.82Å; A929-A931 VanDerWaalsContact O-N 3.09Å | ||
| 930 | V | 49.8 | Very low | 77.8 | Confident | 141 Ų | 141 | 65.7 Ų | 65.7 | 86% | 0.855 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -66.6 | -7.8 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 112 | ||
| 931 | A | 46.1 | Very low | 78.1 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -145.2 | 110.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A929 D933 | A929-A931 PolarHBondContact O-N 2.82Å; A929-A931 VanDerWaalsContact O-N 3.09Å; A931-D933 PolarHBondContact O-N 2.93Å |
| 932 | F | 46.2 | Very low | 77.9 | Confident | 227 Ų | 227 | 63 Ų | 63 | 100% | 0.996 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 40.4 | 3.6 | 158.2 | -71.1 | -79.1 | 0 | 0 | 0 | 122.7 | ||
| 933 | D | 52.5 | Low | 77.7 | Confident | 138 Ų | 138 | 64.5 Ų | 64.5 | 74% | 0.738 | 35% | 0.345 | S | S | * | . | trans | -135.3 | 41.4 | -176.7 | -157.7 | 18.9 | 0 | 0 | 0 | 112.1 | A931 | A931-D933 PolarHBondContact O-N 2.93Š| ||
| 934 | G | 59.2 | Low | 77.6 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | trans | -66.8 | 136.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E927 | E927-G934 VanDerWaalsContact O-CA 3.29Å; E927-G934 WeakPolarHBondContact O-CA 3.43Å | ||
| 935 | R | 75.8 | Confident | 77.6 | Confident | 145 Ų | 145 | 74 Ų | 74 | 55% | 0.547 | 39% | 0.393 | S | S | . | . | trans | -84.6 | 122.9 | 172.5 | -72.5 | -176.8 | 175.9 | -167.3 | -2.6 | 109.6 | L905 C926 E927 | L905-R935 HydrophobicContact CD2-CB 3.76Å; C926-R935 WeakPolarHBondContact CA-O 3.31Å; E927-R935 PolarHBondContact N-O 3.25Å | ||
| 936 | E | 85.3 | Confident | 77.5 | Confident | 89 Ų | 89 | 77 Ų | 77 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.8 | 172.8 | 168.6 | 176.5 | 173.1 | 0 | 0 | 109.5 | R924 I925 | R924-E936 VanDerWaalsContact CD-OE1 3.3Å; R924-E936 WeakPolarHBondContact CD-OE1 3.29Å; R924-E936 HydrophobicContact CG-CG 3.92Å; R924-E936 IonicContact CZ-OE1 3.51Å; R924-E936 IonicContact NE-OE1 3.95Å; R924-E936 PolarHBondContact NE-OE1 2.96Å; I925-E936 WeakPolarHBondContact O-CA 3.47Å |
| 937 | I | 90.3 | Very high | 77.9 | Confident | 17 Ų | 17 | 76.1 Ų | 76.1 | 9% | 0.087 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.5 | 167 | 61.4 | 172.5 | 0 | 0 | 0 | 110.4 | L530 F543 Y552 L905 I925 V939 | L530-I937 HydrophobicContact CD1-CB 3.75Å; L530-I937 HydrophobicContact CD1-CD1 4.44Å; L530-I937 HydrophobicContact CD1-CG2 4.11Å; F543-I937 HydrophobicContact CE1-CD1 3.84Å; F543-I937 HydrophobicContact CZ-CD1 4.29Å; Y552-I937 HydrophobicContact CD1-CD1 4.33Å; Y552-I937 HydrophobicContact CE1-CD1 3.8Å; L905-I937 HydrophobicContact CD1-CD1 3.57Å; L905-I937 HydrophobicContact CD1-CG1 3.92Å; I925-I937 HydrophobicContact CB-CD1 4.38Å; I925-I937 HydrophobicContact CB-CG1 3.84Å; I925-I937 HydrophobicContact CD1-CD1 4.34Å; I925-I937 PolarHBondContact N-O 2.84Å; I925-I937 PolarHBondContact O-N 2.96Å; I937-V939 HydrophobicContact CD1-CG1 3.97Å; I937-V939 HydrophobicContact CG1-CG1 4.3Å |
| 938 | I | 92.3 | Very high | 78.6 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 19% | 0.19 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.6 | 173.1 | -58.7 | 176.2 | 0 | 0 | 0 | 107.5 | K531 W538 V915 L923 | K531-I938 HydrophobicContact CB-CB 4.19Å; K531-I938 HydrophobicContact CB-CG2 4.43Å; K531-I938 HydrophobicContact CD-CG2 4.44Å; K531-I938 PolarHBondContact N-O 3.06Å; W538-I938 HydrophobicContact CH2-CG2 3.91Å; W538-I938 HydrophobicContact CZ3-CG2 4.5Å; V915-I938 HydrophobicContact CG1-CG2 4.14Å; L923-I938 WeakPolarHBondContact O-CA 3.01Å |
| 939 | V | 94.6 | Very high | 79.7 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.006 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 156.3 | -177.5 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | L528 Y529 L530 F543 S922 L923 I925 I937 | L528-V939 HydrophobicContact CB-CB 4.26Å; L528-V939 HydrophobicContact CD1-CB 4.35Å; L528-V939 HydrophobicContact CD1-CG2 4.02Å; Y529-V939 CarbonylContact O-C 3.36Å; Y529-V939 WeakPolarHBondContact O-CA 3.26Å; L530-V939 HydrophobicContact CD1-CG1 3.77Å; F543-V939 HydrophobicContact CE1-CG1 3.95Å; F543-V939 HydrophobicContact CE2-CG1 4.1Å; F543-V939 HydrophobicContact CZ-CB 4.45Å; F543-V939 HydrophobicContact CZ-CG1 3.41Å; F543-V939 VanDerWaalsContact CZ-CG1 3.41Å; S922-V939 CarbonylContact C-O 3.55Å; S922-V939 WeakPolarHBondContact CA-O 3.33Å; L923-V939 HydrophobicContact CB-CG2 3.91Å; L923-V939 PolarHBondContact N-O 3.38Å; L923-V939 PolarHBondContact O-N 3.41Å; I925-V939 HydrophobicContact CD1-CG2 3.76Å; I925-V939 HydrophobicContact CG1-CG2 4.34Å; I937-V939 HydrophobicContact CD1-CG1 3.97Å; I937-V939 HydrophobicContact CG1-CG1 4.3Å |
| 940 | A | 94.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 134.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y529 W538 K919 F921 | Y529-A940 PolarHBondContact N-O 2.74Å; Y529-A940 PolarHBondContact O-N 3.33Å; W538-A940 HydrophobicContact CE3-CB 3.98Å; W538-A940 HydrophobicContact CH2-CB 3.81Å; W538-A940 HydrophobicContact CZ3-CB 3.43Å; W538-A940 VanDerWaalsContact CZ3-CB 3.43Å; K919-A940 HydrophobicContact CB-CB 4.13Å; K919-A940 HydrophobicContact CD-CB 3.85Å; K919-A940 HydrophobicContact CG-CB 4.07Å; F921-A940 WeakPolarHBondContact O-CA 3.14Å |
| 941 | A | 94 | Very high | 83.8 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | trans | -84.2 | 174 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L528 F921 D946 Q947 | L528-A941 HydrophobicContact CD2-CB 3.85Å; F921-A941 HydrophobicContact CB-CB 4.3Å; F921-A941 PolarHBondContact O-N 3.07Å; A941-D946 HydrophobicContact CB-CB 3.74Å; A941-Q947 HydrophobicContact CB-CB 3.99Å | ||
| 942 | N | 90.1 | Very high | 86.1 | Confident | 89 Ų | 89 | 69.6 Ų | 69.6 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -84.5 | -27.7 | 178.3 | -69.3 | -51 | 0 | 0 | 0 | 113.1 | Y529 | Y529-N942 WeakPolarHBondContact CE2-OD1 3.28Š|
| 943 | S | 92.1 | Very high | 88.4 | Confident | 35 Ų | 35 | 59.9 Ų | 59.9 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -137.1 | 163.8 | -179.5 | 71.6 | 0 | 0 | 0 | 0 | 110.4 | E945 D946 Q947 | S943-E945 VanDerWaalsContact C-N 3.27Å; S943-E945 PolarHBondContact O-N 2.93Å; S943-E945 PolarHBondContact OG-N 2.78Å; S943-D946 PolarHBondContact O-N 3.43Å; S943-D946 WeakPolarHBondContact OG-CB 3.33Å; S943-D946 VanDerWaalsContact OG-CG 3.26Å; S943-D946 PolarHBondContact OG-N 3.36Å; S943-Q947 PolarHBondContact O-N 3.23Å; S943-Q947 VanDerWaalsContact O-N 3.14Å |
| 944 | Q | 92.6 | Very high | 90.3 | Very high | 123 Ų | 123 | 53.3 Ų | 53.3 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.4 | -36.2 | 172 | -173.3 | 176.4 | -28.2 | 0 | 0 | 111.6 | F921 Q947 I948 | F921-Q944 HydrophobicContact CD1-CB 3.79Å; F921-Q944 HydrophobicContact CD1-CG 4.46Å; F921-Q944 HydrophobicContact CE1-CB 3.65Å; F921-Q944 HydrophobicContact CE1-CG 4.5Å; F921-Q944 HydrophobicContact CZ-CB 4.47Å; Q944-Q947 WeakPolarHBondContact O-CB 3.25Å; Q944-Q947 PolarHBondContact O-N 2.91Å; Q944-I948 HydrophobicContact CG-CD1 4Å; Q944-I948 VanDerWaalsContact O-CG1 3.28Å; Q944-I948 WeakPolarHBondContact O-CG1 3.18Å; Q944-I948 PolarHBondContact O-N 3.06Å |
| 945 | E | 91.2 | Very high | 91.8 | Very high | 157 Ų | 157 | 54.8 Ų | 54.8 | 73% | 0.734 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.8 | -48.1 | 177.7 | -66.8 | 174.3 | -176.7 | 0 | 0 | 110.9 | S943 Q947 I948 D949 | S943-E945 VanDerWaalsContact C-N 3.27Å; S943-E945 PolarHBondContact O-N 2.93Å; S943-E945 PolarHBondContact OG-N 2.78Å; E945-Q947 VanDerWaalsContact C-N 3.31Å; E945-Q947 PolarHBondContact O-N 3.01Å; E945-I948 PolarHBondContact O-N 3.24Å; E945-D949 WeakPolarHBondContact O-CB 3.47Å; E945-D949 PolarHBondContact O-N 3.14Å |
| 946 | D | 90.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 53.4 Ų | 53.4 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 176.5 | -74.4 | -9.2 | 0 | 0 | 0 | 111.3 | A941 S943 D949 W950 | A941-D946 HydrophobicContact CB-CB 3.74Å; S943-D946 PolarHBondContact O-N 3.43Å; S943-D946 WeakPolarHBondContact OG-CB 3.33Å; S943-D946 VanDerWaalsContact OG-CG 3.26Å; S943-D946 PolarHBondContact OG-N 3.36Å; D946-D949 PolarHBondContact O-N 3.06Å; D946-W950 WeakPolarHBondContact O-CB 3.45Å; D946-W950 PolarHBondContact O-N 3.26Å |
| 947 | Q | 95.8 | Very high | 92.8 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 178.1 | -178.8 | -169.4 | 26.9 | 0 | 0 | 111.7 | F921 S922 L923 A941 S943 Q944 E945 L951 | F921-Q947 VanDerWaalsContact C-CD 3.42Å; F921-Q947 VanDerWaalsContact CA-CD 3.41Å; F921-Q947 HydrophobicContact CB-CB 4Å; F921-Q947 HydrophobicContact CB-CG 4.38Å; S922-Q947 PolarHBondContact O-NE2 3.37Å; L923-Q947 HydrophobicContact CD1-CG 4.27Å; L923-Q947 HydrophobicContact CD2-CG 3.6Å; L923-Q947 HydrophobicContact CG-CG 3.8Å; A941-Q947 HydrophobicContact CB-CB 3.99Å; S943-Q947 PolarHBondContact O-N 3.23Å; S943-Q947 VanDerWaalsContact O-N 3.14Å; Q944-Q947 WeakPolarHBondContact O-CB 3.25Å; Q944-Q947 PolarHBondContact O-N 2.91Å; E945-Q947 VanDerWaalsContact C-N 3.31Å; E945-Q947 PolarHBondContact O-N 3.01Å; Q947-L951 VanDerWaalsContact O-CB 3.24Å; Q947-L951 WeakPolarHBondContact O-CB 3.23Å; Q947-L951 PolarHBondContact O-N 2.67Å |
| 948 | I | 93.5 | Very high | 92.8 | Very high | 77 Ų | 77 | 50.3 Ų | 50.3 | 40% | 0.395 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 179.8 | -69.2 | 166.5 | 0 | 0 | 0 | 110.2 | Q944 E945 L951 N952 | Q944-I948 HydrophobicContact CG-CD1 4Å; Q944-I948 VanDerWaalsContact O-CG1 3.28Å; Q944-I948 WeakPolarHBondContact O-CG1 3.18Å; Q944-I948 PolarHBondContact O-N 3.06Å; E945-I948 PolarHBondContact O-N 3.24Å; I948-L951 PolarHBondContact O-N 2.92Å; I948-N952 WeakPolarHBondContact O-CB 3.36Å; I948-N952 VanDerWaalsContact O-CG 3.24Å; I948-N952 PolarHBondContact O-N 3.34Å; I948-N952 PolarHBondContact O-ND2 3.42Å |
| 949 | D | 93.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 179.6 | 179.7 | 11.6 | 0 | 0 | 0 | 112 | K524 E945 D946 N952 S953 | K524-D949 IonicContact NZ-OD1 3.78Å; K524-D949 PolarHBondContact NZ-OD1 2.81Å; K524-D949 IonicContact NZ-OD2 3.48Å; K524-D949 PolarHBondContact NZ-OD2 3.28Å; E945-D949 WeakPolarHBondContact O-CB 3.47Å; E945-D949 PolarHBondContact O-N 3.14Å; D946-D949 PolarHBondContact O-N 3.06Å; D949-N952 PolarHBondContact O-N 2.94Å; D949-S953 VanDerWaalsContact O-CB 3.26Å; D949-S953 WeakPolarHBondContact O-CB 3.41Å; D949-S953 PolarHBondContact O-N 3.47Å; D949-S953 PolarHBondContact O-OG 3.37Å; D949-S953 PolarHBondContact OD1-OG 3.06Å |
| 950 | W | 95.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 57 Ų | 57 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 172.4 | -87.1 | 103.7 | 0 | 0 | 0 | 112.6 | K524 L528 F543 L545 L550 L923 D946 S953 I954 | K524-W950 HydrophobicContact CB-CH2 4.5Å; K524-W950 HydrophobicContact CD-CD2 3.87Å; K524-W950 HydrophobicContact CD-CE3 3.9Å; K524-W950 HydrophobicContact CD-CG 4.45Å; K524-W950 HydrophobicContact CD-CH2 4.25Å; K524-W950 HydrophobicContact CD-CZ2 4.21Å; K524-W950 HydrophobicContact CD-CZ3 4.1Å; K524-W950 HydrophobicContact CG-CH2 4.15Å; K524-W950 HydrophobicContact CG-CZ2 4.17Å; K524-W950 HydrophobicContact CG-CZ3 4.39Å; L528-W950 HydrophobicContact CD1-CD2 3.95Å; L528-W950 HydrophobicContact CD1-CE3 4.3Å; L528-W950 HydrophobicContact CD1-CG 4.23Å; L528-W950 HydrophobicContact CD1-CZ2 4.44Å; L528-W950 HydrophobicContact CD2-CG 4.31Å; F543-W950 HydrophobicContact CB-CH2 3.68Å; F543-W950 HydrophobicContact CB-CZ2 4.22Å; F543-W950 HydrophobicContact CB-CZ3 4.21Å; L545-W950 HydrophobicContact CB-CZ3 4.02Å; L545-W950 HydrophobicContact CD2-CZ3 4.3Å; L550-W950 HydrophobicContact CD1-CZ3 4.15Å; L923-W950 HydrophobicContact CD1-CB 4.02Å; D946-W950 WeakPolarHBondContact O-CB 3.45Å; D946-W950 PolarHBondContact O-N 3.26Å; W950-S953 PolarHBondContact O-N 3.04Å; W950-I954 HydrophobicContact CE3-CD1 4.1Å; W950-I954 HydrophobicContact CE3-CG1 4.38Å; W950-I954 WeakPolarHBondContact O-CB 3.13Å; W950-I954 WeakPolarHBondContact O-CD1 3.44Å; W950-I954 WeakPolarHBondContact O-CG1 3.49Å; W950-I954 PolarHBondContact O-N 2.89Å |
| 951 | L | 94.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 57.3 Ų | 57.3 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.2 | -52.9 | 177.2 | 176 | 65.9 | 0 | 0 | 0 | 111.2 | A912 V914 L923 Q947 I948 S953 I954 V955 | A912-L951 VanDerWaalsContact C-CD1 3.48Å; A912-L951 HydrophobicContact CB-CD1 3.74Å; A912-L951 VanDerWaalsContact O-CD1 3.25Å; A912-L951 WeakPolarHBondContact O-CD1 3.26Å; V914-L951 HydrophobicContact CG2-CD2 3.91Å; L923-L951 HydrophobicContact CD1-CB 4.31Å; L923-L951 HydrophobicContact CD2-CB 4.06Å; L923-L951 HydrophobicContact CD2-CD1 4.2Å; Q947-L951 VanDerWaalsContact O-CB 3.24Å; Q947-L951 WeakPolarHBondContact O-CB 3.23Å; Q947-L951 PolarHBondContact O-N 2.67Å; I948-L951 PolarHBondContact O-N 2.92Å; L951-S953 VanDerWaalsContact C-N 3.33Å; L951-S953 PolarHBondContact O-N 2.85Å; L951-I954 PolarHBondContact O-N 3.26Å; L951-V955 HydrophobicContact CD1-CG2 4.01Å; L951-V955 HydrophobicContact CG-CG2 4.49Å; L951-V955 WeakPolarHBondContact O-CB 3.09Å; L951-V955 VanDerWaalsContact O-CG2 3.26Å; L951-V955 WeakPolarHBondContact O-CG2 3.36Å; L951-V955 PolarHBondContact O-N 3.25Å |
| 952 | N | 94 | Very high | 91.4 | Very high | 95 Ų | 95 | 58.9 Ų | 58.9 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | -179.4 | -72.7 | -21.8 | 0 | 0 | 0 | 111.3 | I948 D949 V955 E956 | I948-N952 WeakPolarHBondContact O-CB 3.36Å; I948-N952 VanDerWaalsContact O-CG 3.24Å; I948-N952 PolarHBondContact O-N 3.34Å; I948-N952 PolarHBondContact O-ND2 3.42Å; D949-N952 PolarHBondContact O-N 2.94Å; N952-V955 PolarHBondContact O-N 2.97Å; N952-E956 VanDerWaalsContact O-CB 3.29Å; N952-E956 WeakPolarHBondContact O-CB 3.4Å; N952-E956 PolarHBondContact O-N 3.35Å |
| 953 | S | 93.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 59 Ų | 59 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 178 | -62.3 | 0 | 0 | 0 | 0 | 112 | D949 W950 L951 L957 | D949-S953 VanDerWaalsContact O-CB 3.26Å; D949-S953 WeakPolarHBondContact O-CB 3.41Å; D949-S953 PolarHBondContact O-N 3.47Å; D949-S953 PolarHBondContact O-OG 3.37Å; D949-S953 PolarHBondContact OD1-OG 3.06Å; W950-S953 PolarHBondContact O-N 3.04Å; L951-S953 VanDerWaalsContact C-N 3.33Å; L951-S953 PolarHBondContact O-N 2.85Å; S953-L957 WeakPolarHBondContact O-CB 3.31Å; S953-L957 VanDerWaalsContact O-CG 3.32Å; S953-L957 WeakPolarHBondContact O-CG 3.4Å; S953-L957 PolarHBondContact O-N 2.98Å |
| 954 | I | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 180 | -67.6 | 164.2 | 0 | 0 | 0 | 110.7 | L545 L550 L907 A912 I925 W950 L951 S958 | L545-I954 HydrophobicContact CD1-CG1 4.22Å; L545-I954 HydrophobicContact CD2-CG1 4.11Å; L550-I954 HydrophobicContact CD2-CD1 4.49Å; L907-I954 HydrophobicContact CD2-CG2 4.18Å; A912-I954 HydrophobicContact CB-CB 4.18Å; A912-I954 HydrophobicContact CB-CG2 3.72Å; I925-I954 HydrophobicContact CD1-CD1 3.7Å; I925-I954 HydrophobicContact CG1-CD1 4.33Å; W950-I954 HydrophobicContact CE3-CD1 4.1Å; W950-I954 HydrophobicContact CE3-CG1 4.38Å; W950-I954 WeakPolarHBondContact O-CB 3.13Å; W950-I954 WeakPolarHBondContact O-CD1 3.44Å; W950-I954 WeakPolarHBondContact O-CG1 3.49Å; W950-I954 PolarHBondContact O-N 2.89Å; L951-I954 PolarHBondContact O-N 3.26Å; I954-S958 WeakPolarHBondContact O-CB 3.27Å; I954-S958 PolarHBondContact O-N 3.35Å |
| 955 | V | 90.7 | Very high | 90.2 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 42% | 0.424 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | -179.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | A912 L951 N952 S958 R959 | A912-V955 HydrophobicContact CB-CG2 4.33Å; L951-V955 HydrophobicContact CD1-CG2 4.01Å; L951-V955 HydrophobicContact CG-CG2 4.49Å; L951-V955 WeakPolarHBondContact O-CB 3.09Å; L951-V955 VanDerWaalsContact O-CG2 3.26Å; L951-V955 WeakPolarHBondContact O-CG2 3.36Å; L951-V955 PolarHBondContact O-N 3.25Å; N952-V955 PolarHBondContact O-N 2.97Å; V955-S958 PolarHBondContact O-N 3.03Å; V955-R959 WeakPolarHBondContact O-CB 3.36Å; V955-R959 PolarHBondContact O-N 3.09Å |
| 956 | E | 89.8 | Confident | 89.9 | Confident | 117 Ų | 117 | 54.7 Ų | 54.7 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 178.9 | -178.5 | 172.4 | -165.7 | 0 | 0 | 111.7 | N952 R959 C960 | N952-E956 VanDerWaalsContact O-CB 3.29Å; N952-E956 WeakPolarHBondContact O-CB 3.4Å; N952-E956 PolarHBondContact O-N 3.35Å; E956-R959 PolarHBondContact O-N 3.19Å; E956-C960 WeakPolarHBondContact O-CB 3.17Å; E956-C960 PolarHBondContact O-N 3.27Å; E956-C960 PolarHBondContact O-SG 2.85Å; E956-C960 VanDerWaalsContact O-SG 3.39Å |
| 957 | L | 91.7 | Very high | 89.6 | Confident | 28 Ų | 28 | 56 Ų | 56 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 179.5 | -68.9 | 175 | 0 | 0 | 0 | 112 | Q523 L545 L907 S953 C960 A961 | Q523-L957 HydrophobicContact CB-CD1 3.71Å; Q523-L957 HydrophobicContact CG-CD1 3.78Å; Q523-L957 HydrophobicContact CG-CD2 4.28Å; L545-L957 HydrophobicContact CD1-CD1 4.29Å; L545-L957 HydrophobicContact CD2-CD1 3.62Å; L545-L957 HydrophobicContact CG-CD1 3.67Å; L907-L957 HydrophobicContact CD1-CB 3.77Å; S953-L957 WeakPolarHBondContact O-CB 3.31Å; S953-L957 VanDerWaalsContact O-CG 3.32Å; S953-L957 WeakPolarHBondContact O-CG 3.4Å; S953-L957 PolarHBondContact O-N 2.98Å; L957-C960 PolarHBondContact O-N 2.94Å; L957-A961 VanDerWaalsContact O-CB 3.22Å; L957-A961 WeakPolarHBondContact O-CB 3.4Å; L957-A961 PolarHBondContact O-N 2.49Å |
| 958 | S | 90.3 | Very high | 89.1 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 171.5 | 172 | 0 | 0 | 0 | 0 | 112.1 | L907 C910 I954 V955 C960 A961 S962 | L907-S958 VanDerWaalsContact O-CA 3.31Å; L907-S958 WeakPolarHBondContact O-CA 3.34Å; L907-S958 WeakPolarHBondContact O-CB 3.48Å; L907-S958 PolarHBondContact O-OG 2.77Å; C910-S958 WeakPolarHBondContact O-CB 3.26Å; C910-S958 PolarHBondContact O-OG 3.36Å; I954-S958 WeakPolarHBondContact O-CB 3.27Å; I954-S958 PolarHBondContact O-N 3.35Å; V955-S958 PolarHBondContact O-N 3.03Å; S958-C960 PolarHBondContact O-N 3.39Å; S958-A961 PolarHBondContact O-N 2.95Å; S958-S962 VanDerWaalsContact O-CB 3.28Å; S958-S962 WeakPolarHBondContact O-CB 3.37Å; S958-S962 PolarHBondContact O-N 3.45Å; S958-S962 PolarHBondContact O-OG 3.09Å |
| 959 | R | 87.5 | Confident | 88.8 | Confident | 139 Ų | 139 | 62 Ų | 62 | 53% | 0.525 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 175.7 | -173.4 | -171.5 | 66.3 | 83.8 | 4.2 | 111.4 | V955 E956 S962 N963 | V955-R959 WeakPolarHBondContact O-CB 3.36Å; V955-R959 PolarHBondContact O-N 3.09Å; E956-R959 PolarHBondContact O-N 3.19Å; R959-S962 PolarHBondContact O-N 2.99Å; R959-N963 WeakPolarHBondContact O-CB 3.23Å; R959-N963 VanDerWaalsContact O-CG 3.27Å; R959-N963 PolarHBondContact O-N 3.31Å; R959-N963 PolarHBondContact O-ND2 2.93Å |
| 960 | C | 86.5 | Confident | 88.3 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 27% | 0.27 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 178 | -75.5 | 0 | 0 | 0 | 0 | 112.4 | E956 L957 S958 N963 K964 | E956-C960 WeakPolarHBondContact O-CB 3.17Å; E956-C960 PolarHBondContact O-N 3.27Å; E956-C960 PolarHBondContact O-SG 2.85Å; E956-C960 VanDerWaalsContact O-SG 3.39Å; L957-C960 PolarHBondContact O-N 2.94Å; S958-C960 PolarHBondContact O-N 3.39Å; C960-N963 PolarHBondContact O-N 3.36Å; C960-K964 WeakPolarHBondContact O-CG 3.06Å; C960-K964 PolarHBondContact O-N 2.88Å |
| 961 | A | 86.6 | Confident | 87.9 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L907 T908 L957 S958 N963 K964 A965 | L907-A961 HydrophobicContact CB-CB 4.08Å; T908-A961 HydrophobicContact CG2-CB 4.04Å; L957-A961 VanDerWaalsContact O-CB 3.22Å; L957-A961 WeakPolarHBondContact O-CB 3.4Å; L957-A961 PolarHBondContact O-N 2.49Å; S958-A961 PolarHBondContact O-N 2.95Å; A961-N963 PolarHBondContact O-N 2.89Å; A961-K964 PolarHBondContact O-N 3.17Å; A961-A965 WeakPolarHBondContact O-CB 3.34Å; A961-A965 PolarHBondContact O-N 3.41Å |
| 962 | S | 86.3 | Confident | 87.7 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | T908 S958 R959 A965 S966 | T908-S962 PolarHBondContact O-OG 3.4Å; S958-S962 VanDerWaalsContact O-CB 3.28Å; S958-S962 WeakPolarHBondContact O-CB 3.37Å; S958-S962 PolarHBondContact O-N 3.45Å; S958-S962 PolarHBondContact O-OG 3.09Å; R959-S962 PolarHBondContact O-N 2.99Å; S962-A965 PolarHBondContact O-N 3.18Å; S962-S966 WeakPolarHBondContact O-CB 3.36Å; S962-S966 PolarHBondContact O-N 2.67Å |
| 963 | N | 84.6 | Confident | 87.3 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177 | -75.3 | -26.4 | 0 | 0 | 0 | 111.9 | R959 C960 A961 A965 S966 L967 | R959-N963 WeakPolarHBondContact O-CB 3.23Å; R959-N963 VanDerWaalsContact O-CG 3.27Å; R959-N963 PolarHBondContact O-N 3.31Å; R959-N963 PolarHBondContact O-ND2 2.93Å; C960-N963 PolarHBondContact O-N 3.36Å; A961-N963 PolarHBondContact O-N 2.89Å; N963-A965 PolarHBondContact O-N 3.21Å; N963-S966 PolarHBondContact O-N 3.36Å; N963-L967 WeakPolarHBondContact O-CB 3.44Å; N963-L967 PolarHBondContact O-N 2.81Å |
| 964 | K | 82.4 | Confident | 87 | Confident | 142 Ų | 142 | 66.8 Ų | 66.8 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 175.3 | -74.4 | 179.3 | -179.4 | 178.1 | 0 | 111.5 | C960 A961 S966 L967 L968 | C960-K964 WeakPolarHBondContact O-CG 3.06Å; C960-K964 PolarHBondContact O-N 2.88Å; A961-K964 PolarHBondContact O-N 3.17Å; K964-S966 PolarHBondContact O-N 3.14Å; K964-L967 PolarHBondContact O-N 3.25Å; K964-L968 WeakPolarHBondContact O-CB 3.36Å; K964-L968 PolarHBondContact O-N 3.15Å |
| 965 | A | 83.2 | Confident | 86.8 | Confident | 25 Ų | 25 | 70.4 Ų | 70.4 | 21% | 0.207 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T908 A961 S962 N963 R969 | T908-A965 HydrophobicContact CG2-CB 3.95Å; A961-A965 WeakPolarHBondContact O-CB 3.34Å; A961-A965 PolarHBondContact O-N 3.41Å; S962-A965 PolarHBondContact O-N 3.18Å; N963-A965 PolarHBondContact O-N 3.21Å; A965-R969 WeakPolarHBondContact O-CG 3.18Å; A965-R969 PolarHBondContact O-N 3.4Å; A965-R969 PolarHBondContact O-NE 2.84Å |
| 966 | S | 84.1 | Confident | 86.9 | Confident | 58 Ų | 58 | 74.6 Ų | 74.6 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 174.1 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | S962 N963 K964 R969 S970 | S962-S966 WeakPolarHBondContact O-CB 3.36Å; S962-S966 PolarHBondContact O-N 2.67Å; N963-S966 PolarHBondContact O-N 3.36Å; K964-S966 PolarHBondContact O-N 3.14Å; S966-R969 PolarHBondContact O-N 2.89Å; S966-S970 WeakPolarHBondContact O-CB 3.35Å; S966-S970 PolarHBondContact O-N 3.47Å; S966-S970 PolarHBondContact O-OG 3.21Å |
| 967 | L | 85.5 | Confident | 87.1 | Confident | 91 Ų | 91 | 69.5 Ų | 69.5 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.5 | -177.6 | 64.4 | 0 | 0 | 0 | 111.4 | N963 K964 S970 K971 | N963-L967 WeakPolarHBondContact O-CB 3.44Å; N963-L967 PolarHBondContact O-N 2.81Å; K964-L967 PolarHBondContact O-N 3.25Å; L967-S970 WeakPolarHBondContact O-CB 3.46Å; L967-S970 PolarHBondContact O-N 3.43Å; L967-K971 HydrophobicContact CG-CD 4.49Å; L967-K971 WeakPolarHBondContact O-CG 3.23Å; L967-K971 PolarHBondContact O-N 3.03Å |
| 968 | L | 85.3 | Confident | 87.2 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -50.9 | 176.3 | -178.4 | 62.4 | 0 | 0 | 0 | 111.2 | L469 K964 S970 K971 E972 | L469-L968 HydrophobicContact CD1-CD1 4.12Å; K964-L968 WeakPolarHBondContact O-CB 3.36Å; K964-L968 PolarHBondContact O-N 3.15Å; L968-S970 PolarHBondContact O-N 2.86Å; L968-K971 WeakPolarHBondContact O-CB 3.18Å; L968-K971 PolarHBondContact O-N 3.2Å; L968-E972 HydrophobicContact CD1-CG 4.47Å; L968-E972 HydrophobicContact CG-CG 4.47Å; L968-E972 WeakPolarHBondContact O-CG 3.36Å; L968-E972 PolarHBondContact O-N 3.4Å |
| 969 | R | 85.4 | Confident | 87.3 | Confident | 148 Ų | 148 | 68.5 Ų | 68.5 | 56% | 0.558 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56.7 | -38.3 | 176 | -75.9 | -177.3 | -74.5 | 178.4 | -4.7 | 112.3 | A965 S966 K973 | A965-R969 WeakPolarHBondContact O-CG 3.18Å; A965-R969 PolarHBondContact O-N 3.4Å; A965-R969 PolarHBondContact O-NE 2.84Å; S966-R969 PolarHBondContact O-N 2.89Å; R969-K973 WeakPolarHBondContact O-CB 3.5Å; R969-K973 PolarHBondContact O-N 2.96Å |
| 970 | S | 84.7 | Confident | 87.7 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 47% | 0.469 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -43 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 112 | S966 L967 L968 K973 C974 | S966-S970 WeakPolarHBondContact O-CB 3.35Å; S966-S970 PolarHBondContact O-N 3.47Å; S966-S970 PolarHBondContact O-OG 3.21Å; L967-S970 WeakPolarHBondContact O-CB 3.46Å; L967-S970 PolarHBondContact O-N 3.43Å; L968-S970 PolarHBondContact O-N 2.86Å; S970-K973 PolarHBondContact O-N 3.41Å; S970-C974 VanDerWaalsContact O-CB 3.25Å; S970-C974 WeakPolarHBondContact O-CB 3.42Å; S970-C974 PolarHBondContact O-N 2.86Å |
| 971 | K | 85.6 | Confident | 88.2 | Confident | 43 Ų | 43 | 63 Ų | 63 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 175 | -73.8 | 176.6 | 175.8 | -177 | 0 | 111.9 | D472 L967 L968 K973 C974 L975 | D472-K971 IonicContact OD1-NZ 3.72Å; D472-K971 PolarHBondContact OD1-NZ 3.48Å; D472-K971 IonicContact OD2-NZ 2.81Å; D472-K971 PolarHBondContact OD2-NZ 3.09Å; L967-K971 HydrophobicContact CG-CD 4.49Å; L967-K971 WeakPolarHBondContact O-CG 3.23Å; L967-K971 PolarHBondContact O-N 3.03Å; L968-K971 WeakPolarHBondContact O-CB 3.18Å; L968-K971 PolarHBondContact O-N 3.2Å; K971-K973 VanDerWaalsContact C-N 3.31Å; K971-K973 PolarHBondContact O-N 2.93Å; K971-C974 PolarHBondContact O-N 3.4Å; K971-L975 WeakPolarHBondContact O-CB 3.42Å; K971-L975 PolarHBondContact O-N 3.45Å |
| 972 | E | 91.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 176.7 | -70.5 | -174.6 | 146.6 | 0 | 0 | 111.4 | L422 R426 L469 L968 R976 I977 S979 | L422-E972 HydrophobicContact CD1-CB 4.18Å; L422-E972 HydrophobicContact CD2-CB 4.42Å; R426-E972 IonicContact CZ-OE2 3.2Å; R426-E972 IonicContact NH2-OE1 3.96Å; R426-E972 PolarHBondContact NH2-OE1 3.31Å; R426-E972 VanDerWaalsContact NH2-OE1 3.07Å; R426-E972 IonicContact NH2-OE2 4Å; R426-E972 PolarHBondContact NH2-OE2 3.27Å; L469-E972 HydrophobicContact CD1-CG 3.96Å; L968-E972 HydrophobicContact CD1-CG 4.47Å; L968-E972 HydrophobicContact CG-CG 4.47Å; L968-E972 WeakPolarHBondContact O-CG 3.36Å; L968-E972 PolarHBondContact O-N 3.4Å; E972-R976 CarbonylContact O-C 3.55Å; E972-R976 WeakPolarHBondContact O-CA 3.21Å; E972-R976 PolarHBondContact O-N 3.12Å; E972-I977 VanDerWaalsContact CA-O 3.31Å; E972-I977 WeakPolarHBondContact CA-O 3.2Å; E972-I977 WeakPolarHBondContact CB-O 3.46Å; E972-I977 WeakPolarHBondContact CG-O 3.44Å; E972-I977 PolarHBondContact O-N 3.2Å; E972-I977 VanDerWaalsContact O-N 3.14Å; E972-S979 WeakPolarHBondContact OE1-CB 3.25Å; E972-S979 PolarHBondContact OE1-N 3Å; E972-S979 PolarHBondContact OE1-OG 3.41Å |
| 973 | K | 85.7 | Confident | 89.1 | Confident | 120 Ų | 120 | 65.7 Ų | 65.7 | 52% | 0.522 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 178.4 | -172.7 | 178.4 | -179.6 | -179.9 | 0 | 112.2 | N596 R969 S970 K971 R976 | N596-K973 WeakPolarHBondContact OD1-CE 3.11Å; N596-K973 PolarHBondContact OD1-NZ 2.93Å; R969-K973 WeakPolarHBondContact O-CB 3.5Å; R969-K973 PolarHBondContact O-N 2.96Å; S970-K973 PolarHBondContact O-N 3.41Å; K971-K973 VanDerWaalsContact C-N 3.31Å; K971-K973 PolarHBondContact O-N 2.93Å; K973-R976 PolarHBondContact O-N 3.17Å |
| 974 | C | 87.7 | Confident | 89.7 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 63% | 0.628 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | -178.6 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | S970 K971 | S970-C974 VanDerWaalsContact O-CB 3.25Å; S970-C974 WeakPolarHBondContact O-CB 3.42Å; S970-C974 PolarHBondContact O-N 2.86Å; K971-C974 PolarHBondContact O-N 3.4Å |
| 975 | L | 88.4 | Confident | 90.5 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -90.4 | -9.4 | -178.6 | -63.1 | 177.6 | 0 | 0 | 0 | 113.5 | L469 P470 K971 I977 | L469-L975 HydrophobicContact CD2-CB 4.12Å; L469-L975 HydrophobicContact CD2-CD1 3.76Å; P470-L975 HydrophobicContact CG-CD1 4.15Å; K971-L975 WeakPolarHBondContact O-CB 3.42Å; K971-L975 PolarHBondContact O-N 3.45Å; L975-I977 VanDerWaalsContact C-N 3.31Å; L975-I977 HydrophobicContact CB-CD1 4.23Å; L975-I977 HydrophobicContact CB-CG1 4.48Å; L975-I977 WeakPolarHBondContact O-CG1 2.96Å; L975-I977 PolarHBondContact O-N 3.08Å |
| 976 | R | 92.2 | Very high | 91.1 | Very high | 159 Ų | 159 | 54.2 Ų | 54.2 | 60% | 0.6 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 44 | -173.2 | -63.4 | -176 | 59 | 175.3 | -3.2 | 113 | Q425 E972 K973 | Q425-R976 PolarHBondContact NE2-O 3.09Å; Q425-R976 PolarHBondContact OE1-O 3.19Å; E972-R976 CarbonylContact O-C 3.55Å; E972-R976 WeakPolarHBondContact O-CA 3.21Å; E972-R976 PolarHBondContact O-N 3.12Å; K973-R976 PolarHBondContact O-N 3.17Å |
| 977 | I | 93.2 | Very high | 91.8 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | trans | -131.1 | 120.6 | 179.3 | -61.1 | 165 | 0 | 0 | 0 | 108.4 | L422 Q425 K467 L469 E972 L975 | L422-I977 VanDerWaalsContact CD2-C 3.5Å; Q425-I977 VanDerWaalsContact OE1-CA 3.28Å; K467-I977 HydrophobicContact CB-CD1 3.51Å; K467-I977 HydrophobicContact CB-CG1 4.45Å; K467-I977 HydrophobicContact CD-CD1 4.31Å; L469-I977 HydrophobicContact CD2-CB 3.97Å; L469-I977 HydrophobicContact CD2-CG2 4.35Å; L469-I977 HydrophobicContact CG-CB 4.27Å; L469-I977 HydrophobicContact CG-CG2 4.09Å; E972-I977 VanDerWaalsContact CA-O 3.31Å; E972-I977 WeakPolarHBondContact CA-O 3.2Å; E972-I977 WeakPolarHBondContact CB-O 3.46Å; E972-I977 WeakPolarHBondContact CG-O 3.44Å; E972-I977 PolarHBondContact O-N 3.2Å; E972-I977 VanDerWaalsContact O-N 3.14Å; L975-I977 VanDerWaalsContact C-N 3.31Å; L975-I977 HydrophobicContact CB-CD1 4.23Å; L975-I977 HydrophobicContact CB-CG1 4.48Å; L975-I977 WeakPolarHBondContact O-CG1 2.96Å; L975-I977 PolarHBondContact O-N 3.08Å | ||
| 978 | A | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -70.6 | 137.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L422 Q425 R426 E980 L981 S982 | L422-A978 HydrophobicContact CD2-CB 4.2Å; Q425-A978 HydrophobicContact CB-CB 3.63Å; R426-A978 HydrophobicContact CG-CB 3.99Å; A978-E980 PolarHBondContact O-N 2.71Å; A978-L981 PolarHBondContact O-N 2.66Å; A978-S982 WeakPolarHBondContact O-CB 3.35Å; A978-S982 PolarHBondContact O-N 3.49Å | ||
| 979 | S | 93 | Very high | 93 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -36.1 | 179.7 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | E972 L981 S982 N983 | E972-S979 WeakPolarHBondContact OE1-CB 3.25Å; E972-S979 PolarHBondContact OE1-N 3Å; E972-S979 PolarHBondContact OE1-OG 3.41Å; S979-L981 PolarHBondContact O-N 2.9Å; S979-S982 WeakPolarHBondContact O-CB 3.22Å; S979-S982 PolarHBondContact O-N 3.41Å; S979-N983 WeakPolarHBondContact O-CB 3.46Å; S979-N983 PolarHBondContact O-N 2.88Å; S979-N983 PolarHBondContact O-ND2 2.87Å; S979-N983 PolarHBondContact O-OD1 2.92Å |
| 980 | E | 95.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 39.6 Ų | 39.6 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 178.2 | -61.4 | 86.7 | 156.9 | 0 | 0 | 111.8 | R426 A429 A978 | R426-E980 VanDerWaalsContact CD-OE1 3.26Å; R426-E980 WeakPolarHBondContact CD-OE1 3.47Å; R426-E980 HydrophobicContact CG-CG 4.39Å; R426-E980 WeakPolarHBondContact CG-OE2 3.27Å; R426-E980 IonicContact CZ-OE1 3.47Å; R426-E980 IonicContact CZ-OE2 2.68Å; R426-E980 IonicContact NE-OE1 3.65Å; R426-E980 PolarHBondContact NE-OE1 3.34Å; R426-E980 IonicContact NE-OE2 3.13Å; R426-E980 PolarHBondContact NE-OE2 3.23Å; R426-E980 IonicContact NH2-OE2 2.87Å; A429-E980 HydrophobicContact CB-CB 3.8Å; A978-E980 PolarHBondContact O-N 2.71Å |
| 981 | L | 97 | Very high | 94 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.6 | -41.3 | 175.5 | -176.2 | 59.7 | 0 | 0 | 0 | 111.3 | I416 Q425 L428 A429 L432 A978 S979 N983 L984 | I416-L981 HydrophobicContact CD1-CD1 4.35Å; Q425-L981 HydrophobicContact CB-CD2 4.17Å; Q425-L981 HydrophobicContact CG-CD2 4.22Å; L428-L981 HydrophobicContact CD2-CD1 4.28Å; L428-L981 HydrophobicContact CD2-CD2 4.05Å; L428-L981 HydrophobicContact CG-CD1 4.28Å; A429-L981 HydrophobicContact CB-CB 4.21Å; L432-L981 HydrophobicContact CD1-CD1 4.16Å; A978-L981 PolarHBondContact O-N 2.66Å; S979-L981 PolarHBondContact O-N 2.9Å; L981-N983 PolarHBondContact O-N 3.35Å; L981-L984 HydrophobicContact CD1-CD1 4.42Å; L981-L984 WeakPolarHBondContact O-CB 3.35Å; L981-L984 PolarHBondContact O-N 3.32Å; L981-L984 VanDerWaalsContact O-N 3.11Å |
| 982 | S | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.5 | -39.3 | 174 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | K468 L469 A978 S979 L984 V985 | K468-S982 WeakPolarHBondContact CE-O 3.19Å; K468-S982 VanDerWaalsContact CG-OG 3.27Å; K468-S982 WeakPolarHBondContact CG-OG 3.42Å; L469-S982 PolarHBondContact N-OG 3.41Å; A978-S982 WeakPolarHBondContact O-CB 3.35Å; A978-S982 PolarHBondContact O-N 3.49Å; S979-S982 WeakPolarHBondContact O-CB 3.22Å; S979-S982 PolarHBondContact O-N 3.41Å; S982-L984 PolarHBondContact O-N 3.4Å; S982-V985 PolarHBondContact O-N 2.9Å |
| 983 | N | 95.5 | Very high | 94.6 | Very high | 96 Ų | 96 | 43 Ų | 43 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.9 | -179.3 | -70.3 | -13.2 | 0 | 0 | 0 | 113.3 | S979 L981 V985 | S979-N983 WeakPolarHBondContact O-CB 3.46Å; S979-N983 PolarHBondContact O-N 2.88Å; S979-N983 PolarHBondContact O-ND2 2.87Å; S979-N983 PolarHBondContact O-OD1 2.92Å; L981-N983 PolarHBondContact O-N 3.35Å; N983-V985 VanDerWaalsContact C-N 3.3Å |
| 984 | L | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -12.2 | 175.8 | -62.3 | -177 | 0 | 0 | 0 | 113.6 | A429 L432 K433 L440 T442 I464 L981 S982 V986 | A429-L984 HydrophobicContact CB-CD1 3.9Å; L432-L984 HydrophobicContact CB-CD1 4Å; L432-L984 HydrophobicContact CD1-CD1 3.84Å; K433-L984 HydrophobicContact CD-CD2 4.29Å; K433-L984 VanDerWaalsContact CE-CD2 3.41Å; K433-L984 HydrophobicContact CG-CD2 3.93Å; L440-L984 HydrophobicContact CD2-CD1 4.29Å; L440-L984 HydrophobicContact CD2-CD2 3.83Å; T442-L984 HydrophobicContact CG2-CD2 3.74Å; I464-L984 HydrophobicContact CB-CB 4.4Å; I464-L984 HydrophobicContact CG1-CB 4.08Å; L981-L984 HydrophobicContact CD1-CD1 4.42Å; L981-L984 WeakPolarHBondContact O-CB 3.35Å; L981-L984 PolarHBondContact O-N 3.32Å; L981-L984 VanDerWaalsContact O-N 3.11Å; S982-L984 PolarHBondContact O-N 3.4Å; L984-V986 PolarHBondContact O-N 3.07Å |
| 985 | V | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -88.1 | 107.2 | -177.6 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | I464 H466 K468 S982 N983 Q989 | I464-V985 HydrophobicContact CG2-CG2 4.37Å; H466-V985 HydrophobicContact CB-CG2 3.66Å; K468-V985 HydrophobicContact CB-CB 4.42Å; K468-V985 HydrophobicContact CB-CG1 4.45Å; K468-V985 HydrophobicContact CD-CB 4.25Å; K468-V985 WeakPolarHBondContact CE-O 3.4Å; K468-V985 HydrophobicContact CG-CB 4.47Å; K468-V985 PolarHBondContact NZ-O 2.86Å; S982-V985 PolarHBondContact O-N 2.9Å; N983-V985 VanDerWaalsContact C-N 3.3Å; V985-Q989 HydrophobicContact CG1-CB 3.91Å | ||
| 986 | V | 96.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 9% | 0.085 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -102.2 | -68.8 | -177.7 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | L441 P444 L984 | L441-V986 HydrophobicContact CD2-CB 4.1Å; L441-V986 HydrophobicContact CD2-CG1 3.99Å; L441-V986 HydrophobicContact CD2-CG2 4.36Å; L441-V986 HydrophobicContact CG-CG2 4.35Å; P444-V986 HydrophobicContact CB-CG1 4.23Å; P444-V986 HydrophobicContact CG-CG1 3.87Å; L984-V986 PolarHBondContact O-N 3.07Å |
| 987 | Y | 97.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -108.5 | -8.9 | -173.1 | -65 | -59.4 | 0 | 0 | 0 | 115.2 | L441 P444 L445 L452 P453 L458 F1002 Y1003 | L441-Y987 HydrophobicContact CD2-CD2 3.57Å; L441-Y987 HydrophobicContact CD2-CE2 3.47Å; L441-Y987 VanDerWaalsContact CD2-CE2 3.47Å; P444-Y987 WeakPolarHBondContact CA-OH 3.4Å; L445-Y987 PolarHBondContact N-OH 3.31Å; L452-Y987 HydrophobicContact CD2-CD1 4.11Å; L452-Y987 HydrophobicContact CD2-CG 4.26Å; P453-Y987 HydrophobicContact CG-CD2 3.88Å; P453-Y987 HydrophobicContact CG-CE1 4.26Å; P453-Y987 HydrophobicContact CG-CE2 3.54Å; P453-Y987 HydrophobicContact CG-CG 4.37Å; L458-Y987 HydrophobicContact CD2-CD2 4.48Å; L458-Y987 HydrophobicContact CD2-CE2 4.36Å; Y987-F1002 HydrophobicContact CD1-CE2 4.15Å; Y987-F1002 HydrophobicContact CE1-CE2 4.04Å; Y987-Y1003 CarbonylContact C-O 3.53Å; Y987-Y1003 VanDerWaalsContact C-O 3.28Å; Y987-Y1003 CarbonylContact O-C 3.58Å; Y987-Y1003 WeakPolarHBondContact O-CA 3.33Å |
| 988 | C | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 49.1 | -176.5 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | K465 H466 A990 M1005 | K465-C988 WeakPolarHBondContact CA-O 3.33Å; K465-C988 HydrophobicContact CB-CB 3.66Å; K465-C988 HydrophobicContact CG-CB 4.17Å; H466-C988 PolarHBondContact N-O 2.86Å; C988-A990 PolarHBondContact O-N 3.05Å; C988-M1005 HydrophobicContact CB-SD 3.83Å |
| 989 | Q | 97.8 | Very high | 94.6 | Very high | 32 Ų | 32 | 45.5 Ų | 45.5 | 15% | 0.15 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 111.8 | -179.7 | 179.6 | -179.2 | -21.7 | 0 | 0 | 111 | K468 V985 V991 Y1003 E1004 M1005 | K468-Q989 HydrophobicContact CB-CG 3.82Å; V985-Q989 HydrophobicContact CG1-CB 3.91Å; Q989-V991 HydrophobicContact CG-CG1 4.34Å; Q989-V991 PolarHBondContact O-N 2.97Å; Q989-Y1003 WeakPolarHBondContact CB-O 3.26Å; Q989-Y1003 PolarHBondContact N-O 3.46Å; Q989-E1004 HydrophobicContact CB-CG 4.44Å; Q989-E1004 HydrophobicContact CG-CG 4.43Å; Q989-E1004 CarbonylContact O-C 3.46Å; Q989-E1004 WeakPolarHBondContact O-CA 3.46Å; Q989-M1005 PolarHBondContact O-N 2.9Å |
| 990 | A | 97.5 | Very high | 94.3 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 117 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H466 K467 C988 | H466-A990 PolarHBondContact O-N 3.24Å; K467-A990 HydrophobicContact CG-CB 4.35Å; C988-A990 PolarHBondContact O-N 3.05Å |
| 991 | V | 95.6 | Very high | 94.3 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | trans | -130.5 | 153 | 175.6 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | Q989 E1004 M1005 C1006 | Q989-V991 HydrophobicContact CG-CG1 4.34Å; Q989-V991 PolarHBondContact O-N 2.97Å; V991-E1004 HydrophobicContact CG1-CB 4.5Å; V991-E1004 HydrophobicContact CG1-CG 4.12Å; V991-E1004 HydrophobicContact CG2-CB 3.79Å; V991-E1004 HydrophobicContact CG2-CG 4.27Å; V991-M1005 WeakPolarHBondContact CG2-O 3.24Å; V991-M1005 PolarHBondContact N-O 2.88Å; V991-C1006 WeakPolarHBondContact O-CA 3.4Å; V991-C1006 WeakPolarHBondContact O-CB 3.26Å | ||
| 992 | P | 94 | Very high | 94.2 | Very high | 118 Ų | 118 | 48.3 Ų | 48.3 | 77% | 0.766 | 26% | 0.257 | S | S | * | . | trans | -61.6 | 143.9 | 169.3 | -20.6 | 33.2 | 0 | 0 | 0 | 111.2 | N994 | P992-N994 PolarHBondContact O-N 2.91Š| ||
| 993 | F | 94.4 | Very high | 94.2 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | trans | -60.6 | 123.6 | 171.1 | 179.6 | -92 | 0 | 0 | 0 | 110.2 | P995 I998 C1006 L1016 K1019 L1021 F1024 | F993-P995 HydrophobicContact CD1-CG 4.34Å; F993-P995 HydrophobicContact CE1-CG 3.84Å; F993-I998 HydrophobicContact CE2-CD1 4.08Å; F993-I998 HydrophobicContact CZ-CD1 3.82Å; F993-C1006 HydrophobicContact CB-CB 4.13Å; F993-L1016 HydrophobicContact CB-CD2 4.38Å; F993-L1016 HydrophobicContact CD1-CD2 3.54Å; F993-L1016 HydrophobicContact CE1-CD2 3.95Å; F993-L1016 HydrophobicContact CG-CD2 4.01Å; F993-K1019 HydrophobicContact CE1-CB 3.85Å; F993-K1019 HydrophobicContact CZ-CB 4.41Å; F993-L1021 HydrophobicContact CD2-CD1 4.26Å; F993-L1021 HydrophobicContact CE2-CB 4.33Å; F993-L1021 HydrophobicContact CE2-CD1 4Å; F993-L1021 HydrophobicContact CZ-CB 4.46Å; F993-F1024 HydrophobicContact CD2-CD2 4.19Å; F993-F1024 HydrophobicContact CD2-CG 4.19Å; F993-F1024 HydrophobicContact CE2-CB 3.82Å; F993-F1024 HydrophobicContact CE2-CD1 4.47Å; F993-F1024 HydrophobicContact CE2-CD2 4.16Å; F993-F1024 AromaticContact CE2-CG 3.9Å; F993-F1024 HydrophobicContact CE2-CG 3.9Å | ||
| 994 | N | 93.6 | Very high | 94.2 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | -128.5 | 109.5 | 179.3 | -173.1 | -9.4 | 0 | 0 | 0 | 110.5 | P992 D996 R997 | P992-N994 PolarHBondContact O-N 2.91Å; N994-D996 PolarHBondContact O-N 3.19Å; N994-D996 PolarHBondContact OD1-N 2.88Å; N994-R997 HydrophobicContact CB-CB 4.37Å; N994-R997 HydrophobicContact CB-CG 4.44Å; N994-R997 PolarHBondContact O-N 2.9Å | ||
| 995 | P | 92.7 | Very high | 94.2 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -57.8 | -35 | 179.2 | -18.8 | 28.8 | 0 | 0 | 0 | 113.6 | F993 R997 I998 K1019 | F993-P995 HydrophobicContact CD1-CG 4.34Å; F993-P995 HydrophobicContact CE1-CG 3.84Å; P995-R997 PolarHBondContact O-N 2.84Å; P995-I998 PolarHBondContact O-N 2.98Å; P995-K1019 HydrophobicContact CB-CB 4.47Å; P995-K1019 HydrophobicContact CG-CB 3.97Å; P995-K1019 HydrophobicContact CG-CD 4.08Å; P995-K1019 HydrophobicContact CG-CG 4.39Å |
| 996 | D | 93.4 | Very high | 94.1 | Very high | 144 Ų | 144 | 47.7 Ų | 47.7 | 77% | 0.77 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -73.9 | -13.4 | -173.7 | -54.9 | -38.3 | 0 | 0 | 0 | 112.5 | N994 | N994-D996 PolarHBondContact O-N 3.19Å; N994-D996 PolarHBondContact OD1-N 2.88Å |
| 997 | R | 88.2 | Confident | 94.2 | Very high | 162 Ų | 162 | 48.9 Ų | 48.9 | 61% | 0.611 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -105.3 | 21 | 179.2 | -67.2 | -173.1 | 178.9 | -167.3 | -1.9 | 112.9 | N994 P995 P999 G1000 | N994-R997 HydrophobicContact CB-CB 4.37Å; N994-R997 HydrophobicContact CB-CG 4.44Å; N994-R997 PolarHBondContact O-N 2.9Å; P995-R997 PolarHBondContact O-N 2.84Å; R997-P999 CarbonylContact O-C 3.57Å; R997-P999 VanDerWaalsContact O-O 3.12Å; R997-G1000 WeakPolarHBondContact O-CA 3.41Å; R997-G1000 PolarHBondContact O-N 3.14Å |
| 998 | I | 90 | Very high | 94.2 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | trans | -94 | 120.3 | -179.9 | -59.4 | 174.3 | 0 | 0 | 0 | 110.3 | F993 P995 R1023 F1024 | F993-I998 HydrophobicContact CE2-CD1 4.08Å; F993-I998 HydrophobicContact CZ-CD1 3.82Å; P995-I998 PolarHBondContact O-N 2.98Å; I998-R1023 HydrophobicContact CG2-CB 3.98Å; I998-R1023 HydrophobicContact CG2-CG 3.61Å; I998-F1024 HydrophobicContact CD1-CB 3.97Å; I998-F1024 HydrophobicContact CG1-CB 4.29Å; I998-F1024 HydrophobicContact CG1-CD2 4.45Å | ||
| 999 | P | 83.5 | Confident | 94.1 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | S | Bend | cis | -81.3 | 137.5 | 3.2 | 33 | -33.7 | 0 | 0 | 0 | 112.5 | R997 | R997-P999 CarbonylContact O-C 3.57Å; R997-P999 VanDerWaalsContact O-O 3.12Å |
| 1000 | G | 87.9 | Confident | 93.9 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | trans | -86.4 | -170 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R997 F1002 | R997-G1000 WeakPolarHBondContact O-CA 3.41Å; R997-G1000 PolarHBondContact O-N 3.14Å; G1000-F1002 PolarHBondContact O-N 2.91Å | ||
| 1001 | K | 94.2 | Very high | 93.8 | Very high | 111 Ų | 111 | 51.4 Ų | 51.4 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | trans | -68.1 | 130.2 | 171.9 | -71 | 162.5 | 160.7 | -150.9 | 0 | 108.8 | Y1003 E1004 Q1028 | K1001-Y1003 HydrophobicContact CB-CD1 4.32Å; K1001-Y1003 HydrophobicContact CB-CD2 4.14Å; K1001-Y1003 HydrophobicContact CB-CE1 3.97Å; K1001-Y1003 HydrophobicContact CB-CE2 3.76Å; K1001-Y1003 HydrophobicContact CB-CG 4.42Å; K1001-Y1003 HydrophobicContact CD-CE2 3.75Å; K1001-Y1003 WeakPolarHBondContact CD-OH 3.06Å; K1001-Y1003 WeakPolarHBondContact CE-OH 3.19Å; K1001-Y1003 HydrophobicContact CG-CE1 4.31Å; K1001-Y1003 HydrophobicContact CG-CE2 4.2Å; K1001-Y1003 PolarHBondContact NZ-OH 3.13Å; K1001-Y1003 PolarHBondContact O-N 3.49Å; K1001-Y1003 VanDerWaalsContact O-N 3.15Å; K1001-E1004 HydrophobicContact CB-CB 4.38Å; K1001-E1004 HydrophobicContact CB-CG 3.91Å; K1001-E1004 WeakPolarHBondContact O-CB 3.49Å; K1001-E1004 PolarHBondContact O-N 2.91Å; K1001-Q1028 WeakPolarHBondContact O-CG 3.47Å; K1001-Q1028 PolarHBondContact O-NE2 3.49Å | ||
| 1002 | F | 95.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 53.7 Ų | 53.7 | 9% | 0.088 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.5 | -174.6 | 64 | -92.2 | 0 | 0 | 0 | 113.5 | A449 T450 E451 L452 Y987 G1000 E1004 R1027 | A449-F1002 HydrophobicContact CB-CE2 4.49Å; A449-F1002 HydrophobicContact CB-CZ 3.95Å; A449-F1002 WeakPolarHBondContact O-CE1 3.14Å; A449-F1002 VanDerWaalsContact O-CZ 3.23Å; A449-F1002 WeakPolarHBondContact O-CZ 3.42Å; T450-F1002 WeakPolarHBondContact O-CD1 3.34Å; E451-F1002 WeakPolarHBondContact O-CD2 3.19Å; E451-F1002 WeakPolarHBondContact O-CE2 3.44Å; L452-F1002 HydrophobicContact CD2-CD2 3.98Å; L452-F1002 WeakPolarHBondContact CD2-O 3.43Å; L452-F1002 HydrophobicContact CG-CB 4.43Å; L452-F1002 HydrophobicContact CG-CD2 3.99Å; L452-F1002 WeakPolarHBondContact CG-O 3.38Å; Y987-F1002 HydrophobicContact CD1-CE2 4.15Å; Y987-F1002 HydrophobicContact CE1-CE2 4.04Å; G1000-F1002 PolarHBondContact O-N 2.91Å; F1002-E1004 VanDerWaalsContact C-N 3.31Å; F1002-R1027 HydrophobicContact CB-CG 3.98Å |
| 1003 | Y | 95.5 | Very high | 94 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 26% | 0.255 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -2.2 | 176.3 | 53.5 | -103.7 | 0 | 0 | 0 | 114.5 | Y987 Q989 K1001 | Y987-Y1003 CarbonylContact C-O 3.53Å; Y987-Y1003 VanDerWaalsContact C-O 3.28Å; Y987-Y1003 CarbonylContact O-C 3.58Å; Y987-Y1003 WeakPolarHBondContact O-CA 3.33Å; Q989-Y1003 WeakPolarHBondContact CB-O 3.26Å; Q989-Y1003 PolarHBondContact N-O 3.46Å; K1001-Y1003 HydrophobicContact CB-CD1 4.32Å; K1001-Y1003 HydrophobicContact CB-CD2 4.14Å; K1001-Y1003 HydrophobicContact CB-CE1 3.97Å; K1001-Y1003 HydrophobicContact CB-CE2 3.76Å; K1001-Y1003 HydrophobicContact CB-CG 4.42Å; K1001-Y1003 HydrophobicContact CD-CE2 3.75Å; K1001-Y1003 WeakPolarHBondContact CD-OH 3.06Å; K1001-Y1003 WeakPolarHBondContact CE-OH 3.19Å; K1001-Y1003 HydrophobicContact CG-CE1 4.31Å; K1001-Y1003 HydrophobicContact CG-CE2 4.2Å; K1001-Y1003 PolarHBondContact NZ-OH 3.13Å; K1001-Y1003 PolarHBondContact O-N 3.49Å; K1001-Y1003 VanDerWaalsContact O-N 3.15Å |
| 1004 | E | 96.4 | Very high | 94 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 141.1 | 171.5 | -72.5 | 178.2 | 166.3 | 0 | 0 | 110.3 | Q989 V991 K1001 F1002 Q1028 | Q989-E1004 HydrophobicContact CB-CG 4.44Å; Q989-E1004 HydrophobicContact CG-CG 4.43Å; Q989-E1004 CarbonylContact O-C 3.46Å; Q989-E1004 WeakPolarHBondContact O-CA 3.46Å; V991-E1004 HydrophobicContact CG1-CB 4.5Å; V991-E1004 HydrophobicContact CG1-CG 4.12Å; V991-E1004 HydrophobicContact CG2-CB 3.79Å; V991-E1004 HydrophobicContact CG2-CG 4.27Å; K1001-E1004 HydrophobicContact CB-CB 4.38Å; K1001-E1004 HydrophobicContact CB-CG 3.91Å; K1001-E1004 WeakPolarHBondContact O-CB 3.49Å; K1001-E1004 PolarHBondContact O-N 2.91Å; F1002-E1004 VanDerWaalsContact C-N 3.31Å; E1004-Q1028 WeakPolarHBondContact O-CB 3.44Å; E1004-Q1028 WeakPolarHBondContact O-CG 3.26Å; E1004-Q1028 PolarHBondContact O-NE2 2.86Å |
| 1005 | M | 97.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.4 | 179 | 69.9 | 164 | -67.2 | 0 | 0 | 111.9 | K465 C988 Q989 V991 L1029 R1031 M1056 | K465-M1005 HydrophobicContact CB-SD 4.38Å; K465-M1005 HydrophobicContact CG-CE 4.32Å; K465-M1005 HydrophobicContact CG-SD 3.56Å; K465-M1005 VanDerWaalsContact CG-SD 3.56Å; C988-M1005 HydrophobicContact CB-SD 3.83Å; Q989-M1005 PolarHBondContact O-N 2.9Å; V991-M1005 WeakPolarHBondContact CG2-O 3.24Å; V991-M1005 PolarHBondContact N-O 2.88Å; M1005-L1029 VanDerWaalsContact CA-O 3.27Å; M1005-L1029 WeakPolarHBondContact CA-O 3.27Å; M1005-L1029 HydrophobicContact CB-CB 3.92Å; M1005-L1029 WeakPolarHBondContact CB-O 3.43Å; M1005-R1031 HydrophobicContact CE-CB 3.86Å; M1005-M1056 HydrophobicContact CE-SD 3.86Å |
| 1006 | C | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 157.1 | 175.7 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | V991 F993 F1024 L1029 S1030 R1031 | V991-C1006 WeakPolarHBondContact O-CA 3.4Å; V991-C1006 WeakPolarHBondContact O-CB 3.26Å; F993-C1006 HydrophobicContact CB-CB 4.13Å; C1006-F1024 HydrophobicContact CB-CE1 4.4Å; C1006-F1024 HydrophobicContact CB-CZ 4Å; C1006-F1024 VanDerWaalsContact SG-CE1 3.52Å; C1006-L1029 PolarHBondContact N-O 3.24Å; C1006-S1030 WeakPolarHBondContact O-CA 3.41Å; C1006-R1031 PolarHBondContact O-N 2.79Å |
| 1007 | S | 97.7 | Very high | 94.6 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.9 | 171 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | R1031 | S1007-R1031 CarbonylContact C-O 3.58Å; S1007-R1031 WeakPolarHBondContact CA-O 3.26Å |
| 1008 | F | 97.6 | Very high | 95 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 156 | -179.1 | 57.7 | -92.6 | 0 | 0 | 0 | 112.5 | K1012 L1013 L1016 L1021 R1031 V1032 Y1033 | F1008-K1012 HydrophobicContact CB-CB 4.47Å; F1008-K1012 HydrophobicContact CB-CD 4.26Å; F1008-K1012 HydrophobicContact CD2-CB 4.32Å; F1008-L1013 HydrophobicContact CE2-CD1 4.4Å; F1008-L1016 HydrophobicContact CB-CD1 3.88Å; F1008-L1016 HydrophobicContact CD1-CD1 3.45Å; F1008-L1016 VanDerWaalsContact CD1-CD1 3.45Å; F1008-L1016 HydrophobicContact CD2-CD1 3.69Å; F1008-L1016 HydrophobicContact CE1-CD1 3.81Å; F1008-L1016 HydrophobicContact CE2-CD1 4.03Å; F1008-L1016 HydrophobicContact CG-CD1 3.39Å; F1008-L1016 HydrophobicContact CZ-CD1 4.08Å; F1008-L1021 HydrophobicContact CE1-CD1 3.92Å; F1008-L1021 HydrophobicContact CE1-CD2 4.23Å; F1008-L1021 HydrophobicContact CZ-CD1 4.24Å; F1008-L1021 HydrophobicContact CZ-CD2 3.71Å; F1008-R1031 PolarHBondContact N-O 3.28Å; F1008-V1032 HydrophobicContact CD2-CB 4.36Å; F1008-V1032 HydrophobicContact CD2-CG2 4.12Å; F1008-V1032 HydrophobicContact CE2-CB 3.89Å; F1008-V1032 HydrophobicContact CE2-CG2 3.84Å; F1008-V1032 HydrophobicContact CZ-CB 4.22Å; F1008-V1032 VanDerWaalsContact O-CA 3.26Å; F1008-V1032 WeakPolarHBondContact O-CA 3.49Å; F1008-Y1033 VanDerWaalsContact O-CD1 3.32Å; F1008-Y1033 WeakPolarHBondContact O-CD1 3.36Å; F1008-Y1033 WeakPolarHBondContact O-CE1 3.36Å; F1008-Y1033 PolarHBondContact O-N 2.95Å |
| 1009 | C | 96.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 54 Ų | 54 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 150 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | S1011 K1012 Y1033 | C1009-S1011 PolarHBondContact O-N 3.13Å; C1009-S1011 VanDerWaalsContact O-N 3.07Å; C1009-S1011 PolarHBondContact SG-OG 3.49Å; C1009-K1012 WeakPolarHBondContact O-CB 3.45Å; C1009-K1012 PolarHBondContact O-N 2.82Å; C1009-Y1033 CarbonylContact C-O 3.5Å; C1009-Y1033 VanDerWaalsContact CA-O 3.22Å; C1009-Y1033 WeakPolarHBondContact CA-O 3.46Å; C1009-Y1033 HydrophobicContact CB-CD2 4.15Å; C1009-Y1033 HydrophobicContact CB-CE2 3.73Å |
| 1010 | D | 94 | Very high | 95.9 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -44.6 | -42.1 | -179.9 | 64.9 | -37.9 | 0 | 0 | 0 | 113.7 | K1012 L1013 V1032 Y1033 N1035 R1038 F1044 M1049 | D1010-K1012 PolarHBondContact O-N 2.8Å; D1010-L1013 PolarHBondContact O-N 2.79Å; D1010-V1032 HydrophobicContact CB-CG2 4.21Å; D1010-Y1033 PolarHBondContact N-O 3.34Å; D1010-N1035 WeakPolarHBondContact OD1-CB 3.39Å; D1010-N1035 PolarHBondContact OD1-N 3.44Å; D1010-R1038 IonicContact OD2-CZ 3.06Å; D1010-R1038 IonicContact OD2-NE 3Å; D1010-R1038 PolarHBondContact OD2-NE 2.85Å; D1010-R1038 IonicContact OD2-NH2 3.95Å; D1010-R1038 PolarHBondContact OD2-NH2 2.9Å; D1010-F1044 HydrophobicContact CB-CB 4.11Å; D1010-F1044 HydrophobicContact CB-CD1 3.73Å; D1010-F1044 HydrophobicContact CB-CD2 3.93Å; D1010-F1044 HydrophobicContact CB-CE1 4.13Å; D1010-F1044 HydrophobicContact CB-CE2 4.34Å; D1010-F1044 HydrophobicContact CB-CG 3.63Å; D1010-F1044 HydrophobicContact CB-CZ 4.42Å; D1010-F1044 VanDerWaalsContact OD2-CB 3.3Å; D1010-F1044 WeakPolarHBondContact OD2-CB 3.09Å; D1010-M1049 HydrophobicContact CB-CE 4.05Å |
| 1011 | S | 94.3 | Very high | 96.3 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 54% | 0.538 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -63.3 | -7.4 | 178.4 | 57.9 | 0 | 0 | 0 | 0 | 116.3 | C1009 N1035 | C1009-S1011 PolarHBondContact O-N 3.13Å; C1009-S1011 VanDerWaalsContact O-N 3.07Å; C1009-S1011 PolarHBondContact SG-OG 3.49Å; S1011-N1035 PolarHBondContact OG-ND2 2.64Å |
| 1012 | K | 96.6 | Very high | 96.4 | Very high | 80 Ų | 80 | 50.9 Ų | 50.9 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -97.6 | -4 | 179.8 | -70.9 | 176.1 | 179.9 | 173.6 | 0 | 113.8 | F1008 C1009 D1010 D1014 R1015 L1016 | F1008-K1012 HydrophobicContact CB-CB 4.47Å; F1008-K1012 HydrophobicContact CB-CD 4.26Å; F1008-K1012 HydrophobicContact CD2-CB 4.32Å; C1009-K1012 WeakPolarHBondContact O-CB 3.45Å; C1009-K1012 PolarHBondContact O-N 2.82Å; D1010-K1012 PolarHBondContact O-N 2.8Å; K1012-D1014 PolarHBondContact O-N 2.87Å; K1012-R1015 PolarHBondContact O-N 3.03Å; K1012-L1016 HydrophobicContact CB-CD1 4.34Å; K1012-L1016 HydrophobicContact CB-CG 4.49Å; K1012-L1016 WeakPolarHBondContact O-CG 3.44Å; K1012-L1016 PolarHBondContact O-N 3.33Å |
| 1013 | L | 96.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -50.8 | -61.5 | -171.4 | -178 | 68.7 | 0 | 0 | 0 | 112.7 | F1008 D1010 R1015 L1016 V1017 L1021 P1048 M1049 T1052 | F1008-L1013 HydrophobicContact CE2-CD1 4.4Å; D1010-L1013 PolarHBondContact O-N 2.79Å; L1013-R1015 VanDerWaalsContact C-N 3.3Å; L1013-R1015 PolarHBondContact O-N 2.9Å; L1013-L1016 WeakPolarHBondContact O-CA 3.42Å; L1013-L1016 PolarHBondContact O-N 3.17Å; L1013-V1017 HydrophobicContact CD1-CG2 4.08Å; L1013-V1017 HydrophobicContact CG-CG2 4.14Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.38Å; L1013-V1017 PolarHBondContact O-N 2.94Å; L1013-L1021 HydrophobicContact CD1-CD2 3.94Å; L1013-P1048 HydrophobicContact CD2-CB 3.94Å; L1013-M1049 HydrophobicContact CB-CE 4.11Å; L1013-M1049 HydrophobicContact CB-SD 3.96Å; L1013-M1049 HydrophobicContact CD1-SD 3.64Å; L1013-M1049 HydrophobicContact CD2-CE 3.8Å; L1013-M1049 HydrophobicContact CD2-SD 3.59Å; L1013-M1049 VanDerWaalsContact CD2-SD 3.59Å; L1013-M1049 HydrophobicContact CG-CE 4.41Å; L1013-M1049 HydrophobicContact CG-SD 3.9Å; L1013-T1052 HydrophobicContact CD1-CG2 4.1Å; L1013-T1052 WeakPolarHBondContact CD1-OG1 3.44Å; L1013-T1052 HydrophobicContact CD2-CG2 4.39Å; L1013-T1052 HydrophobicContact CG-CG2 4.5Å |
| 1014 | D | 95.9 | Very high | 96.4 | Very high | 123 Ų | 123 | 54.6 Ų | 54.6 | 66% | 0.658 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -55.2 | -46.4 | -171.3 | -59.6 | -35.8 | 0 | 0 | 0 | 111.9 | K1012 L1016 V1017 E1018 | K1012-D1014 PolarHBondContact O-N 2.87Å; D1014-L1016 VanDerWaalsContact C-N 3.28Å; D1014-L1016 PolarHBondContact O-N 3.36Å; D1014-V1017 PolarHBondContact O-N 2.91Å; D1014-E1018 WeakPolarHBondContact O-CG 3.35Å; D1014-E1018 PolarHBondContact O-N 2.85Å |
| 1015 | R | 97.2 | Very high | 96.4 | Very high | 128 Ų | 128 | 54 Ų | 54 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -32.2 | 178 | -172.1 | -175.2 | 67.3 | 178.9 | 2.6 | 113.2 | K1012 L1013 K1019 | K1012-R1015 PolarHBondContact O-N 3.03Å; L1013-R1015 VanDerWaalsContact C-N 3.3Å; L1013-R1015 PolarHBondContact O-N 2.9Å; R1015-K1019 VanDerWaalsContact O-CG 3.28Å; R1015-K1019 WeakPolarHBondContact O-CG 3.41Å |
| 1016 | L | 97.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -80.7 | -35.2 | 178 | -66.6 | -177 | 0 | 0 | 0 | 111.4 | F993 F1008 K1012 L1013 D1014 E1018 K1019 G1020 L1021 | F993-L1016 HydrophobicContact CB-CD2 4.38Å; F993-L1016 HydrophobicContact CD1-CD2 3.54Å; F993-L1016 HydrophobicContact CE1-CD2 3.95Å; F993-L1016 HydrophobicContact CG-CD2 4.01Å; F1008-L1016 HydrophobicContact CB-CD1 3.88Å; F1008-L1016 HydrophobicContact CD1-CD1 3.45Å; F1008-L1016 VanDerWaalsContact CD1-CD1 3.45Å; F1008-L1016 HydrophobicContact CD2-CD1 3.69Å; F1008-L1016 HydrophobicContact CE1-CD1 3.81Å; F1008-L1016 HydrophobicContact CE2-CD1 4.03Å; F1008-L1016 HydrophobicContact CG-CD1 3.39Å; F1008-L1016 HydrophobicContact CZ-CD1 4.08Å; K1012-L1016 HydrophobicContact CB-CD1 4.34Å; K1012-L1016 HydrophobicContact CB-CG 4.49Å; K1012-L1016 WeakPolarHBondContact O-CG 3.44Å; K1012-L1016 PolarHBondContact O-N 3.33Å; L1013-L1016 WeakPolarHBondContact O-CA 3.42Å; L1013-L1016 PolarHBondContact O-N 3.17Å; D1014-L1016 VanDerWaalsContact C-N 3.28Å; D1014-L1016 PolarHBondContact O-N 3.36Å; L1016-E1018 VanDerWaalsContact C-N 3.35Å; L1016-K1019 CarbonylContact O-C 3.5Å; L1016-K1019 WeakPolarHBondContact O-CA 3.29Å; L1016-K1019 PolarHBondContact O-N 2.99Å; L1016-G1020 PolarHBondContact O-N 2.84Å; L1016-L1021 HydrophobicContact CB-CB 4.08Å; L1016-L1021 HydrophobicContact CB-CD2 4.01Å; L1016-L1021 HydrophobicContact CB-CG 4.47Å; L1016-L1021 VanDerWaalsContact O-CB 3.25Å; L1016-L1021 WeakPolarHBondContact O-CB 3.41Å; L1016-L1021 PolarHBondContact O-N 3.36Å |
| 1017 | V | 97 | Very high | 96.2 | Very high | 50 Ų | 50 | 68 Ų | 68 | 30% | 0.303 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 172.7 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | L1013 D1014 K1019 G1020 L1021 T1052 | L1013-V1017 HydrophobicContact CD1-CG2 4.08Å; L1013-V1017 HydrophobicContact CG-CG2 4.14Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.38Å; L1013-V1017 PolarHBondContact O-N 2.94Å; D1014-V1017 PolarHBondContact O-N 2.91Å; V1017-K1019 PolarHBondContact O-N 2.8Å; V1017-K1019 VanDerWaalsContact O-N 3.12Å; V1017-G1020 PolarHBondContact O-N 2.82Å; V1017-L1021 HydrophobicContact CG2-CD2 4.22Å; V1017-T1052 HydrophobicContact CG2-CG2 3.55Å |
| 1018 | E | 96.3 | Very high | 96.2 | Very high | 165 Ų | 165 | 66.2 Ų | 66.2 | 77% | 0.771 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.4 | 174.4 | -71.9 | 174.7 | 175.7 | 0 | 0 | 113.2 | D1014 L1016 | D1014-E1018 WeakPolarHBondContact O-CG 3.35Å; D1014-E1018 PolarHBondContact O-N 2.85Å; L1016-E1018 VanDerWaalsContact C-N 3.35Å |
| 1019 | K | 96.5 | Very high | 96.2 | Very high | 110 Ų | 110 | 66 Ų | 66 | 48% | 0.478 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 10.8 | -180 | -68.7 | -176.6 | 177 | -160.1 | 0 | 114.1 | F993 P995 R1015 L1016 V1017 | F993-K1019 HydrophobicContact CE1-CB 3.85Å; F993-K1019 HydrophobicContact CZ-CB 4.41Å; P995-K1019 HydrophobicContact CB-CB 4.47Å; P995-K1019 HydrophobicContact CG-CB 3.97Å; P995-K1019 HydrophobicContact CG-CD 4.08Å; P995-K1019 HydrophobicContact CG-CG 4.39Å; R1015-K1019 VanDerWaalsContact O-CG 3.28Å; R1015-K1019 WeakPolarHBondContact O-CG 3.41Å; L1016-K1019 CarbonylContact O-C 3.5Å; L1016-K1019 WeakPolarHBondContact O-CA 3.29Å; L1016-K1019 PolarHBondContact O-N 2.99Å; V1017-K1019 PolarHBondContact O-N 2.8Å; V1017-K1019 VanDerWaalsContact O-N 3.12Å |
| 1020 | G | 96.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 22.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1016 V1017 M1022 R1023 F1024 | L1016-G1020 PolarHBondContact O-N 2.84Å; V1017-G1020 PolarHBondContact O-N 2.82Å; G1020-M1022 VanDerWaalsContact C-N 3.25Å; G1020-M1022 PolarHBondContact O-N 3.08Å; G1020-R1023 WeakPolarHBondContact O-CB 3.4Å; G1020-R1023 PolarHBondContact O-N 3.31Å; G1020-F1024 PolarHBondContact O-N 2.78Å; G1020-F1024 VanDerWaalsContact O-N 3.1Å |
| 1021 | L | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -51.1 | -41 | 177.1 | 178.9 | 65 | 0 | 0 | 0 | 113.5 | F993 F1008 L1013 L1016 V1017 R1023 F1024 N1025 | F993-L1021 HydrophobicContact CD2-CD1 4.26Å; F993-L1021 HydrophobicContact CE2-CB 4.33Å; F993-L1021 HydrophobicContact CE2-CD1 4Å; F993-L1021 HydrophobicContact CZ-CB 4.46Å; F1008-L1021 HydrophobicContact CE1-CD1 3.92Å; F1008-L1021 HydrophobicContact CE1-CD2 4.23Å; F1008-L1021 HydrophobicContact CZ-CD1 4.24Å; F1008-L1021 HydrophobicContact CZ-CD2 3.71Å; L1013-L1021 HydrophobicContact CD1-CD2 3.94Å; L1016-L1021 HydrophobicContact CB-CB 4.08Å; L1016-L1021 HydrophobicContact CB-CD2 4.01Å; L1016-L1021 HydrophobicContact CB-CG 4.47Å; L1016-L1021 VanDerWaalsContact O-CB 3.25Å; L1016-L1021 WeakPolarHBondContact O-CB 3.41Å; L1016-L1021 PolarHBondContact O-N 3.36Å; V1017-L1021 HydrophobicContact CG2-CD2 4.22Å; L1021-R1023 VanDerWaalsContact C-N 3.28Å; L1021-R1023 PolarHBondContact O-N 2.82Å; L1021-F1024 HydrophobicContact CD1-CD1 4.3Å; L1021-F1024 WeakPolarHBondContact O-CB 3.46Å; L1021-F1024 PolarHBondContact O-N 3.44Å; L1021-N1025 PolarHBondContact O-N 3.5Å; L1021-N1025 PolarHBondContact O-ND2 3.1Å |
| 1022 | M | 95.8 | Very high | 96.7 | Very high | 102 Ų | 102 | 61 Ų | 61 | 50% | 0.502 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | 178.8 | -64.1 | 178.6 | 74.6 | 0 | 0 | 112.5 | G1020 R1026 | G1020-M1022 VanDerWaalsContact C-N 3.25Å; G1020-M1022 PolarHBondContact O-N 3.08Å; M1022-R1026 WeakPolarHBondContact O-CG 3.31Å |
| 1023 | R | 95.6 | Very high | 96.6 | Very high | 156 Ų | 156 | 60.4 Ų | 60.4 | 59% | 0.589 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -73.2 | -36.9 | 176.3 | -172.7 | -177.5 | 175.6 | -176 | -1.9 | 111.1 | I998 G1020 L1021 R1026 | I998-R1023 HydrophobicContact CG2-CB 3.98Å; I998-R1023 HydrophobicContact CG2-CG 3.61Å; G1020-R1023 WeakPolarHBondContact O-CB 3.4Å; G1020-R1023 PolarHBondContact O-N 3.31Å; L1021-R1023 VanDerWaalsContact C-N 3.28Å; L1021-R1023 PolarHBondContact O-N 2.82Å; R1023-R1026 PolarHBondContact O-N 3.4Å |
| 1024 | F | 96.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 171.7 | 172.9 | -84.9 | 0 | 0 | 0 | 111.3 | F993 I998 C1006 G1020 L1021 R1026 R1027 Q1028 L1029 | F993-F1024 HydrophobicContact CD2-CD2 4.19Å; F993-F1024 HydrophobicContact CD2-CG 4.19Å; F993-F1024 HydrophobicContact CE2-CB 3.82Å; F993-F1024 HydrophobicContact CE2-CD1 4.47Å; F993-F1024 HydrophobicContact CE2-CD2 4.16Å; F993-F1024 AromaticContact CE2-CG 3.9Å; F993-F1024 HydrophobicContact CE2-CG 3.9Å; I998-F1024 HydrophobicContact CD1-CB 3.97Å; I998-F1024 HydrophobicContact CG1-CB 4.29Å; I998-F1024 HydrophobicContact CG1-CD2 4.45Å; C1006-F1024 HydrophobicContact CB-CE1 4.4Å; C1006-F1024 HydrophobicContact CB-CZ 4Å; C1006-F1024 VanDerWaalsContact SG-CE1 3.52Å; G1020-F1024 PolarHBondContact O-N 2.78Å; G1020-F1024 VanDerWaalsContact O-N 3.1Å; L1021-F1024 HydrophobicContact CD1-CD1 4.3Å; L1021-F1024 WeakPolarHBondContact O-CB 3.46Å; L1021-F1024 PolarHBondContact O-N 3.44Å; F1024-R1026 PolarHBondContact O-N 3.04Å; F1024-R1027 PolarHBondContact O-N 3.01Å; F1024-Q1028 HydrophobicContact CD1-CB 4.16Å; F1024-Q1028 HydrophobicContact CD2-CB 4.28Å; F1024-Q1028 VanDerWaalsContact CD2-OE1 3.31Å; F1024-Q1028 HydrophobicContact CE1-CB 3.7Å; F1024-Q1028 HydrophobicContact CE2-CB 3.85Å; F1024-Q1028 HydrophobicContact CE2-CG 4.22Å; F1024-Q1028 VanDerWaalsContact CE2-OE1 3.28Å; F1024-Q1028 HydrophobicContact CG-CB 4.41Å; F1024-Q1028 HydrophobicContact CZ-CB 3.52Å; F1024-Q1028 HydrophobicContact CZ-CG 4.33Å; F1024-Q1028 PolarHBondContact O-N 2.66Å; F1024-Q1028 VanDerWaalsContact O-N 3.1Å; F1024-L1029 WeakPolarHBondContact CE1-O 3.49Å |
| 1025 | N | 96.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.8 | -177.4 | -74.2 | -17.9 | 0 | 0 | 0 | 114.5 | L1021 R1027 Q1028 S1030 T1052 G1053 C1054 Q1055 | L1021-N1025 PolarHBondContact O-N 3.5Å; L1021-N1025 PolarHBondContact O-ND2 3.1Å; N1025-R1027 VanDerWaalsContact C-N 3.26Å; N1025-R1027 PolarHBondContact O-N 3.5Å; N1025-Q1028 WeakPolarHBondContact CA-O 3.22Å; N1025-S1030 VanDerWaalsContact OD1-CB 3.24Å; N1025-S1030 WeakPolarHBondContact OD1-CB 3.31Å; N1025-S1030 PolarHBondContact OD1-OG 2.99Å; N1025-T1052 PolarHBondContact ND2-O 2.97Å; N1025-G1053 WeakPolarHBondContact CB-O 3.3Å; N1025-G1053 PolarHBondContact ND2-O 3.02Å; N1025-C1054 PolarHBondContact ND2-N 2.89Å; N1025-Q1055 PolarHBondContact O-NE2 2.89Å |
| 1026 | R | 94.8 | Very high | 95.3 | Very high | 202 Ų | 202 | 53.1 Ų | 53.1 | 76% | 0.762 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.8 | 176.2 | -70 | -179.7 | -176.5 | -169.4 | -1.1 | 114.3 | M1022 R1023 F1024 | M1022-R1026 WeakPolarHBondContact O-CG 3.31Å; R1023-R1026 PolarHBondContact O-N 3.4Å; F1024-R1026 PolarHBondContact O-N 3.04Å |
| 1027 | R | 94.7 | Very high | 94.3 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | -22.1 | -175.6 | -167.9 | 176.3 | -175 | -172.2 | 3.4 | 113.3 | T450 F1002 F1024 N1025 | T450-R1027 PolarHBondContact O-NE 2.76Å; T450-R1027 PolarHBondContact O-NH2 3.36Å; F1002-R1027 HydrophobicContact CB-CG 3.98Å; F1024-R1027 PolarHBondContact O-N 3.01Å; N1025-R1027 VanDerWaalsContact C-N 3.26Å; N1025-R1027 PolarHBondContact O-N 3.5Å |
| 1028 | Q | 96.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -122.9 | 151.9 | -174.5 | -65.9 | 179.3 | -96.7 | 0 | 0 | 110.1 | K1001 E1004 F1024 N1025 | K1001-Q1028 WeakPolarHBondContact O-CG 3.47Å; K1001-Q1028 PolarHBondContact O-NE2 3.49Å; E1004-Q1028 WeakPolarHBondContact O-CB 3.44Å; E1004-Q1028 WeakPolarHBondContact O-CG 3.26Å; E1004-Q1028 PolarHBondContact O-NE2 2.86Å; F1024-Q1028 HydrophobicContact CD1-CB 4.16Å; F1024-Q1028 HydrophobicContact CD2-CB 4.28Å; F1024-Q1028 VanDerWaalsContact CD2-OE1 3.31Å; F1024-Q1028 HydrophobicContact CE1-CB 3.7Å; F1024-Q1028 HydrophobicContact CE2-CB 3.85Å; F1024-Q1028 HydrophobicContact CE2-CG 4.22Å; F1024-Q1028 VanDerWaalsContact CE2-OE1 3.28Å; F1024-Q1028 HydrophobicContact CG-CB 4.41Å; F1024-Q1028 HydrophobicContact CZ-CB 3.52Å; F1024-Q1028 HydrophobicContact CZ-CG 4.33Å; F1024-Q1028 PolarHBondContact O-N 2.66Å; F1024-Q1028 VanDerWaalsContact O-N 3.1Å; N1025-Q1028 WeakPolarHBondContact CA-O 3.22Å |
| 1029 | L | 98.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | trans | -78.6 | 143.6 | 175 | -61.4 | 174.2 | 0 | 0 | 0 | 111 | L324 C325 I329 L452 M1005 C1006 F1024 Q1055 | L324-L1029 HydrophobicContact CD2-CD1 4.21Å; C325-L1029 HydrophobicContact CB-CD2 4.1Å; I329-L1029 HydrophobicContact CD1-CD2 4.28Å; L452-L1029 HydrophobicContact CD1-CD1 4.34Å; L452-L1029 HydrophobicContact CD1-CD2 4.26Å; L452-L1029 HydrophobicContact CD1-CG 3.88Å; M1005-L1029 VanDerWaalsContact CA-O 3.27Å; M1005-L1029 WeakPolarHBondContact CA-O 3.27Å; M1005-L1029 HydrophobicContact CB-CB 3.92Å; M1005-L1029 WeakPolarHBondContact CB-O 3.43Å; C1006-L1029 PolarHBondContact N-O 3.24Å; F1024-L1029 WeakPolarHBondContact CE1-O 3.49Å; L1029-Q1055 HydrophobicContact CD2-CB 3.9Å; L1029-Q1055 HydrophobicContact CD2-CG 3.77Å | ||
| 1030 | S | 98.2 | Very high | 92 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.4 | 163.1 | 62 | 0 | 0 | 0 | 0 | 112.2 | C1006 N1025 C1054 M1056 | C1006-S1030 WeakPolarHBondContact O-CA 3.41Å; N1025-S1030 VanDerWaalsContact OD1-CB 3.24Å; N1025-S1030 WeakPolarHBondContact OD1-CB 3.31Å; N1025-S1030 PolarHBondContact OD1-OG 2.99Å; S1030-C1054 WeakPolarHBondContact OG-CA 3.42Å; S1030-C1054 PolarHBondContact OG-SG 3.11Å; S1030-M1056 PolarHBondContact O-N 2.85Å |
| 1031 | R | 98.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.7 | 171.7 | -175.4 | -179 | -178.7 | -115.9 | 7.2 | 111.2 | S332 E363 M1005 C1006 S1007 F1008 M1056 A1058 | S332-R1031 PolarHBondContact O-NH2 3.37Å; E363-R1031 VanDerWaalsContact CD-NH2 3.26Å; E363-R1031 IonicContact OE1-CZ 3.67Å; E363-R1031 IonicContact OE1-NH1 3.86Å; E363-R1031 PolarHBondContact OE1-NH1 3.04Å; E363-R1031 IonicContact OE1-NH2 3.41Å; E363-R1031 PolarHBondContact OE1-NH2 2.9Å; E363-R1031 IonicContact OE2-CZ 3.79Å; E363-R1031 IonicContact OE2-NH1 3.21Å; E363-R1031 IonicContact OE2-NH2 3.21Å; E363-R1031 PolarHBondContact OE2-NH2 3.34Å; M1005-R1031 HydrophobicContact CE-CB 3.86Å; C1006-R1031 PolarHBondContact O-N 2.79Å; S1007-R1031 CarbonylContact C-O 3.58Å; S1007-R1031 WeakPolarHBondContact CA-O 3.26Å; F1008-R1031 PolarHBondContact N-O 3.28Å; R1031-M1056 CarbonylContact C-O 3.55Å; R1031-M1056 VanDerWaalsContact CA-O 3.26Å; R1031-M1056 WeakPolarHBondContact CA-O 3.35Å; R1031-M1056 HydrophobicContact CB-CB 3.86Å; R1031-M1056 HydrophobicContact CB-SD 4.23Å; R1031-M1056 HydrophobicContact CG-CB 3.91Å; R1031-A1058 HydrophobicContact CG-CB 4.39Å |
| 1032 | V | 98 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.7 | 169.4 | 61.4 | 0 | 0 | 0 | 0 | 110 | F1008 D1010 F1044 M1049 C1054 M1056 V1057 A1058 | F1008-V1032 HydrophobicContact CD2-CB 4.36Å; F1008-V1032 HydrophobicContact CD2-CG2 4.12Å; F1008-V1032 HydrophobicContact CE2-CB 3.89Å; F1008-V1032 HydrophobicContact CE2-CG2 3.84Å; F1008-V1032 HydrophobicContact CZ-CB 4.22Å; F1008-V1032 VanDerWaalsContact O-CA 3.26Å; F1008-V1032 WeakPolarHBondContact O-CA 3.49Å; D1010-V1032 HydrophobicContact CB-CG2 4.21Å; V1032-F1044 HydrophobicContact CG1-CE2 4.41Å; V1032-F1044 HydrophobicContact CG1-CZ 4.16Å; V1032-F1044 HydrophobicContact CG2-CE2 4.49Å; V1032-F1044 HydrophobicContact CG2-CZ 4.21Å; V1032-M1049 HydrophobicContact CB-SD 4.47Å; V1032-M1049 HydrophobicContact CG1-CB 3.89Å; V1032-M1049 HydrophobicContact CG1-CG 3.85Å; V1032-M1049 HydrophobicContact CG1-SD 4.29Å; V1032-M1049 HydrophobicContact CG2-CG 4.34Å; V1032-M1049 HydrophobicContact CG2-SD 3.85Å; V1032-C1054 HydrophobicContact CG1-CB 4.49Å; V1032-M1056 PolarHBondContact N-O 2.56Å; V1032-V1057 HydrophobicContact CG1-CB 4.01Å; V1032-V1057 HydrophobicContact CG1-CG1 3.89Å; V1032-V1057 HydrophobicContact CG1-CG2 3.78Å; V1032-A1058 VanDerWaalsContact O-CB 3.29Å; V1032-A1058 WeakPolarHBondContact O-CB 3.2Å; V1032-A1058 PolarHBondContact O-N 2.69Å |
| 1033 | Y | 95.7 | Very high | 90.9 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.7 | -179.7 | 55.8 | -96.6 | 0 | 0 | 0 | 112.1 | F1008 C1009 D1010 | F1008-Y1033 VanDerWaalsContact O-CD1 3.32Å; F1008-Y1033 WeakPolarHBondContact O-CD1 3.36Å; F1008-Y1033 WeakPolarHBondContact O-CE1 3.36Å; F1008-Y1033 PolarHBondContact O-N 2.95Å; C1009-Y1033 CarbonylContact C-O 3.5Å; C1009-Y1033 VanDerWaalsContact CA-O 3.22Å; C1009-Y1033 WeakPolarHBondContact CA-O 3.46Å; C1009-Y1033 HydrophobicContact CB-CD2 4.15Å; C1009-Y1033 HydrophobicContact CB-CE2 3.73Å; D1010-Y1033 PolarHBondContact N-O 3.34Å |
| 1034 | P | 93.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | trans | -64 | 139.5 | -178.8 | -18.2 | 31.7 | 0 | 0 | 0 | 112.4 | H333 F1044 A1058 | H333-P1034 HydrophobicContact CB-CG 4.24Å; H333-P1034 VanDerWaalsContact CG-CD 3.44Å; P1034-F1044 HydrophobicContact CB-CD1 4.13Å; P1034-F1044 HydrophobicContact CB-CE1 4.29Å; P1034-F1044 HydrophobicContact CG-CD1 4.08Å; P1034-F1044 HydrophobicContact CG-CE1 3.84Å; P1034-A1058 WeakPolarHBondContact CD-O 3.24Å | ||
| 1035 | N | 87.9 | Confident | 90.4 | Very high | 54 Ų | 54 | 47 Ų | 47 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | trans | -57.7 | 137 | 172.3 | -172.6 | -49 | 0 | 0 | 0 | 111.8 | D1010 S1011 A1037 R1038 | D1010-N1035 WeakPolarHBondContact OD1-CB 3.39Å; D1010-N1035 PolarHBondContact OD1-N 3.44Å; S1011-N1035 PolarHBondContact OG-ND2 2.64Å; N1035-A1037 PolarHBondContact O-N 2.88Å; N1035-A1037 WeakPolarHBondContact OD1-CB 3.25Å; N1035-A1037 PolarHBondContact OD1-N 2.98Å; N1035-R1038 VanDerWaalsContact O-CB 3.23Å; N1035-R1038 WeakPolarHBondContact O-CB 3.46Å; N1035-R1038 WeakPolarHBondContact O-CG 3.45Å; N1035-R1038 PolarHBondContact O-N 3.49Å | ||
| 1036 | G | 80.5 | Confident | 90.1 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 56% | 0.557 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -11 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1038 | G1036-R1038 PolarHBondContact O-N 2.84Š|
| 1037 | A | 77.9 | Confident | 90 | Very high | 80 Ų | 80 | 40.5 Ų | 40.5 | 66% | 0.661 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -13 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1035 L1039 | N1035-A1037 PolarHBondContact O-N 2.88Å; N1035-A1037 WeakPolarHBondContact OD1-CB 3.25Å; N1035-A1037 PolarHBondContact OD1-N 2.98Å; A1037-L1039 PolarHBondContact O-N 3.31Å |
| 1038 | R | 81.5 | Confident | 90 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 25% | 0.249 | 23% | 0.228 | C | C | . | . | trans | -81.7 | 57.6 | 179.8 | -63.7 | 173.3 | 175 | -78 | 1.9 | 111.6 | Q341 D1010 N1035 G1036 T1040 S1041 S1042 | Q341-R1038 PolarHBondContact OE1-O 2.71Å; D1010-R1038 IonicContact OD2-CZ 3.06Å; D1010-R1038 IonicContact OD2-NE 3Å; D1010-R1038 PolarHBondContact OD2-NE 2.85Å; D1010-R1038 IonicContact OD2-NH2 3.95Å; D1010-R1038 PolarHBondContact OD2-NH2 2.9Å; N1035-R1038 VanDerWaalsContact O-CB 3.23Å; N1035-R1038 WeakPolarHBondContact O-CB 3.46Å; N1035-R1038 WeakPolarHBondContact O-CG 3.45Å; N1035-R1038 PolarHBondContact O-N 3.49Å; G1036-R1038 PolarHBondContact O-N 2.84Å; R1038-T1040 PolarHBondContact O-N 2.87Å; R1038-T1040 VanDerWaalsContact O-N 3.08Å; R1038-S1041 WeakPolarHBondContact O-CA 3.47Å; R1038-S1041 PolarHBondContact O-N 2.93Å; R1038-S1042 WeakPolarHBondContact CD-O 3.14Å; R1038-S1042 PolarHBondContact NH1-OG 2.9Å | ||
| 1039 | L | 76.4 | Confident | 89.9 | Confident | 84 Ų | 84 | 39 Ų | 39 | 44% | 0.44 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.3 | -173.8 | -60 | 174.9 | 0 | 0 | 0 | 114 | Q341 L342 A1037 S1041 | Q341-L1039 PolarHBondContact N-O 2.88Å; L342-L1039 HydrophobicContact CD1-CB 4.4Å; L342-L1039 HydrophobicContact CD1-CD1 4.26Å; L342-L1039 HydrophobicContact CD1-CD2 4.41Å; L342-L1039 HydrophobicContact CD2-CD2 4.09Å; L342-L1039 HydrophobicContact CG-CD2 4.29Å; A1037-L1039 PolarHBondContact O-N 3.31Å; L1039-S1041 PolarHBondContact O-N 2.84Å |
| 1040 | T | 81.9 | Confident | 89.7 | Confident | 102 Ų | 102 | 41.2 Ų | 41.2 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 11.7 | 176.7 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | R1038 S1042 | R1038-T1040 PolarHBondContact O-N 2.87Å; R1038-T1040 VanDerWaalsContact O-N 3.08Å; T1040-S1042 PolarHBondContact O-N 2.71Å |
| 1041 | S | 88.2 | Confident | 89.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | 60.2 | 24.5 | -176 | -56.8 | 0 | 0 | 0 | 0 | 114.4 | G339 D340 Q341 R1038 L1039 N1060 Q1062 T1063 | G339-S1041 WeakPolarHBondContact O-CB 3.35Å; G339-S1041 PolarHBondContact O-OG 2.79Å; D340-S1041 WeakPolarHBondContact CA-OG 3.3Å; Q341-S1041 WeakPolarHBondContact CG-OG 3.37Å; R1038-S1041 WeakPolarHBondContact O-CA 3.47Å; R1038-S1041 PolarHBondContact O-N 2.93Å; L1039-S1041 PolarHBondContact O-N 2.84Å; S1041-N1060 VanDerWaalsContact C-ND2 3.3Å; S1041-N1060 WeakPolarHBondContact O-CB 3.29Å; S1041-N1060 PolarHBondContact O-ND2 3.13Å; S1041-Q1062 PolarHBondContact OG-NE2 3Å; S1041-T1063 WeakPolarHBondContact CB-OG1 3.26Å; S1041-T1063 VanDerWaalsContact O-CB 3.3Å; S1041-T1063 WeakPolarHBondContact O-CB 3.24Å; S1041-T1063 PolarHBondContact O-OG1 3.38Å; S1041-T1063 VanDerWaalsContact O-OG1 3.07Å | ||
| 1042 | S | 88.6 | Confident | 89.4 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 146.2 | 175.7 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | R1038 T1040 N1060 | R1038-S1042 WeakPolarHBondContact CD-O 3.14Å; R1038-S1042 PolarHBondContact NH1-OG 2.9Å; T1040-S1042 PolarHBondContact O-N 2.71Å; S1042-N1060 PolarHBondContact O-ND2 3.36Å |
| 1043 | N | 90.2 | Very high | 89.3 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 22% | 0.219 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 150 | 177.1 | -74.3 | -55.3 | 0 | 0 | 0 | 112.4 | L1059 N1060 T1063 I1068 | N1043-L1059 HydrophobicContact CB-CD2 4.21Å; N1043-L1059 WeakPolarHBondContact OD1-CA 3.28Å; N1043-L1059 WeakPolarHBondContact OD1-CB 3.45Å; N1043-N1060 PolarHBondContact ND2-O 2.93Å; N1043-N1060 PolarHBondContact OD1-N 3.4Å; N1043-T1063 PolarHBondContact ND2-O 3.05Å; N1043-I1068 WeakPolarHBondContact ND2-CD1 3.44Å |
| 1044 | F | 90.5 | Very high | 89.4 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 166.5 | 170.5 | 60.3 | -89.4 | 0 | 0 | 0 | 110.3 | D1010 V1032 P1034 P1046 M1049 V1057 A1058 L1059 | D1010-F1044 HydrophobicContact CB-CB 4.11Å; D1010-F1044 HydrophobicContact CB-CD1 3.73Å; D1010-F1044 HydrophobicContact CB-CD2 3.93Å; D1010-F1044 HydrophobicContact CB-CE1 4.13Å; D1010-F1044 HydrophobicContact CB-CE2 4.34Å; D1010-F1044 HydrophobicContact CB-CG 3.63Å; D1010-F1044 HydrophobicContact CB-CZ 4.42Å; D1010-F1044 VanDerWaalsContact OD2-CB 3.3Å; D1010-F1044 WeakPolarHBondContact OD2-CB 3.09Å; V1032-F1044 HydrophobicContact CG1-CE2 4.41Å; V1032-F1044 HydrophobicContact CG1-CZ 4.16Å; V1032-F1044 HydrophobicContact CG2-CE2 4.49Å; V1032-F1044 HydrophobicContact CG2-CZ 4.21Å; P1034-F1044 HydrophobicContact CB-CD1 4.13Å; P1034-F1044 HydrophobicContact CB-CE1 4.29Å; P1034-F1044 HydrophobicContact CG-CD1 4.08Å; P1034-F1044 HydrophobicContact CG-CE1 3.84Å; F1044-P1046 VanDerWaalsContact O-CD 3.3Å; F1044-P1046 WeakPolarHBondContact O-CD 3.45Å; F1044-M1049 HydrophobicContact CD2-CE 4.02Å; F1044-M1049 HydrophobicContact CD2-CG 4.21Å; F1044-M1049 HydrophobicContact CE2-CE 4.26Å; F1044-M1049 HydrophobicContact CE2-CG 3.64Å; F1044-V1057 HydrophobicContact CE2-CG1 3.6Å; F1044-V1057 HydrophobicContact CZ-CG1 3.67Å; F1044-A1058 WeakPolarHBondContact CE1-O 3.29Å; F1044-L1059 HydrophobicContact CD1-CD2 4.41Å; F1044-L1059 HydrophobicContact CE1-CD2 3.97Å; F1044-L1059 HydrophobicContact CE2-CD2 4.33Å; F1044-L1059 HydrophobicContact CZ-CD2 3.92Å |
| 1045 | N | 90.6 | Very high | 89.6 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 116.6 | 174.5 | -178.4 | -1.7 | 0 | 0 | 0 | 109.6 | I1047 P1048 | N1045-I1047 WeakPolarHBondContact OD1-CB 3.48Å; N1045-I1047 PolarHBondContact OD1-N 3.13Å; N1045-I1047 VanDerWaalsContact OD1-N 3.09Å; N1045-P1048 WeakPolarHBondContact O-CD 3.39Å |
| 1046 | P | 91.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -77.2 | -21.3 | -176.3 | 32.6 | -35.2 | 0 | 0 | 0 | 113.3 | F1044 M1049 W1050 V1057 L1067 I1071 | F1044-P1046 VanDerWaalsContact O-CD 3.3Å; F1044-P1046 WeakPolarHBondContact O-CD 3.45Å; P1046-M1049 WeakPolarHBondContact O-CB 3.43Å; P1046-M1049 PolarHBondContact O-N 3.39Å; P1046-W1050 HydrophobicContact CB-CD2 4.35Å; P1046-W1050 HydrophobicContact CB-CE3 4.18Å; P1046-W1050 HydrophobicContact CB-CH2 3.53Å; P1046-W1050 HydrophobicContact CB-CZ2 3.77Å; P1046-W1050 HydrophobicContact CB-CZ3 3.78Å; P1046-W1050 HydrophobicContact CG-CE3 4.43Å; P1046-W1050 HydrophobicContact CG-CH2 3.48Å; P1046-W1050 VanDerWaalsContact CG-CH2 3.48Å; P1046-W1050 HydrophobicContact CG-CZ2 4.21Å; P1046-W1050 HydrophobicContact CG-CZ3 3.63Å; P1046-W1050 PolarHBondContact O-N 2.89Å; P1046-W1050 VanDerWaalsContact O-N 3.16Å; P1046-V1057 HydrophobicContact CB-CG1 3.63Å; P1046-L1067 HydrophobicContact CG-CB 4.32Å; P1046-L1067 HydrophobicContact CG-CD2 4.41Å; P1046-I1071 HydrophobicContact CG-CD1 4.23Å |
| 1047 | I | 91.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.9 | -48.6 | -173.2 | -62.7 | 172.3 | 0 | 0 | 0 | 112.6 | N1045 M1049 W1050 N1051 L1067 | N1045-I1047 WeakPolarHBondContact OD1-CB 3.48Å; N1045-I1047 PolarHBondContact OD1-N 3.13Å; N1045-I1047 VanDerWaalsContact OD1-N 3.09Å; I1047-M1049 PolarHBondContact O-N 3.06Å; I1047-W1050 HydrophobicContact CG1-CE3 4.36Å; I1047-W1050 HydrophobicContact CG1-CZ3 4.19Å; I1047-W1050 PolarHBondContact O-N 2.99Å; I1047-N1051 WeakPolarHBondContact O-CB 3.32Å; I1047-N1051 VanDerWaalsContact O-CG 3.23Å; I1047-N1051 PolarHBondContact O-N 3.43Å; I1047-L1067 HydrophobicContact CD1-CD2 4.18Å |
| 1048 | P | 94.2 | Very high | 91.6 | Very high | 52 Ų | 52 | 37 Ų | 37 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.2 | -32.5 | 175.6 | -26.2 | 35.7 | 0 | 0 | 0 | 113.5 | L1013 N1045 T1052 | L1013-P1048 HydrophobicContact CD2-CB 3.94Å; N1045-P1048 WeakPolarHBondContact O-CD 3.39Å; P1048-T1052 WeakPolarHBondContact O-CG2 3.34Å; P1048-T1052 PolarHBondContact O-N 2.92Å |
| 1049 | M | 95 | Very high | 92.2 | Very high | 13 Ų | 13 | 34 Ų | 34 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.1 | -49 | -179.5 | -50.3 | -60.4 | 155.7 | 0 | 0 | 111 | D1010 L1013 V1032 F1044 P1046 I1047 N1051 T1052 C1054 V1057 | D1010-M1049 HydrophobicContact CB-CE 4.05Å; L1013-M1049 HydrophobicContact CB-CE 4.11Å; L1013-M1049 HydrophobicContact CB-SD 3.96Å; L1013-M1049 HydrophobicContact CD1-SD 3.64Å; L1013-M1049 HydrophobicContact CD2-CE 3.8Å; L1013-M1049 HydrophobicContact CD2-SD 3.59Å; L1013-M1049 VanDerWaalsContact CD2-SD 3.59Å; L1013-M1049 HydrophobicContact CG-CE 4.41Å; L1013-M1049 HydrophobicContact CG-SD 3.9Å; V1032-M1049 HydrophobicContact CB-SD 4.47Å; V1032-M1049 HydrophobicContact CG1-CB 3.89Å; V1032-M1049 HydrophobicContact CG1-CG 3.85Å; V1032-M1049 HydrophobicContact CG1-SD 4.29Å; V1032-M1049 HydrophobicContact CG2-CG 4.34Å; V1032-M1049 HydrophobicContact CG2-SD 3.85Å; F1044-M1049 HydrophobicContact CD2-CE 4.02Å; F1044-M1049 HydrophobicContact CD2-CG 4.21Å; F1044-M1049 HydrophobicContact CE2-CE 4.26Å; F1044-M1049 HydrophobicContact CE2-CG 3.64Å; P1046-M1049 WeakPolarHBondContact O-CB 3.43Å; P1046-M1049 PolarHBondContact O-N 3.39Å; I1047-M1049 PolarHBondContact O-N 3.06Å; M1049-N1051 VanDerWaalsContact C-N 3.31Å; M1049-N1051 PolarHBondContact O-N 3.32Å; M1049-T1052 PolarHBondContact O-N 2.94Å; M1049-T1052 VanDerWaalsContact O-N 3.08Å; M1049-T1052 PolarHBondContact O-OG1 2.92Å; M1049-C1054 HydrophobicContact CB-CB 4.33Å; M1049-C1054 WeakPolarHBondContact O-CB 3.44Å; M1049-C1054 PolarHBondContact O-N 3.46Å; M1049-V1057 HydrophobicContact CB-CG1 4.25Å; M1049-V1057 HydrophobicContact CB-CG2 3.7Å; M1049-V1057 HydrophobicContact CG-CG1 4.36Å |
| 1050 | W | 94 | Very high | 92.9 | Very high | 47 Ų | 47 | 30 Ų | 30 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 176.1 | -65.6 | -46.8 | 0 | 0 | 0 | 112.5 | W328 P1046 I1047 T1052 G1053 V1057 I1071 | W328-W1050 AromaticContact CD1-CD1 3.63Å; W328-W1050 HydrophobicContact CD2-CB 4.46Å; W328-W1050 AromaticContact CD2-CD1 3.97Å; W328-W1050 HydrophobicContact CD2-CG 4.22Å; W328-W1050 AromaticContact CE2-CD1 3.99Å; W328-W1050 AromaticContact CG-CD1 3.76Å; W328-W1050 HydrophobicContact CG-CG 4.46Å; W328-W1050 HydrophobicContact CH2-CB 4.49Å; W328-W1050 HydrophobicContact CZ2-CB 3.8Å; W328-W1050 HydrophobicContact CZ2-CG 4.39Å; W328-W1050 AromaticContact NE1-CD1 3.76Å; P1046-W1050 HydrophobicContact CB-CD2 4.35Å; P1046-W1050 HydrophobicContact CB-CE3 4.18Å; P1046-W1050 HydrophobicContact CB-CH2 3.53Å; P1046-W1050 HydrophobicContact CB-CZ2 3.77Å; P1046-W1050 HydrophobicContact CB-CZ3 3.78Å; P1046-W1050 HydrophobicContact CG-CE3 4.43Å; P1046-W1050 HydrophobicContact CG-CH2 3.48Å; P1046-W1050 VanDerWaalsContact CG-CH2 3.48Å; P1046-W1050 HydrophobicContact CG-CZ2 4.21Å; P1046-W1050 HydrophobicContact CG-CZ3 3.63Å; P1046-W1050 PolarHBondContact O-N 2.89Å; P1046-W1050 VanDerWaalsContact O-N 3.16Å; I1047-W1050 HydrophobicContact CG1-CE3 4.36Å; I1047-W1050 HydrophobicContact CG1-CZ3 4.19Å; I1047-W1050 PolarHBondContact O-N 2.99Å; W1050-T1052 PolarHBondContact O-N 3.44Å; W1050-T1052 VanDerWaalsContact O-N 3.13Å; W1050-G1053 WeakPolarHBondContact O-CA 3.5Å; W1050-G1053 PolarHBondContact O-N 3.43Å; W1050-V1057 HydrophobicContact CG-CG2 4.16Å; W1050-V1057 VanDerWaalsContact NE1-CG2 3.29Å; W1050-I1071 HydrophobicContact CH2-CD1 3.49Å; W1050-I1071 VanDerWaalsContact CH2-CD1 3.49Å; W1050-I1071 HydrophobicContact CH2-CG1 3.34Å; W1050-I1071 HydrophobicContact CZ2-CD1 3.68Å; W1050-I1071 HydrophobicContact CZ2-CG1 3.74Å |
| 1051 | N | 94.7 | Very high | 93.4 | Very high | 115 Ų | 115 | 25.6 Ų | 25.6 | 62% | 0.615 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -60.7 | -22.3 | 176 | -73.1 | -8.7 | 0 | 0 | 0 | 112.9 | I1047 M1049 | I1047-N1051 WeakPolarHBondContact O-CB 3.32Å; I1047-N1051 VanDerWaalsContact O-CG 3.23Å; I1047-N1051 PolarHBondContact O-N 3.43Å; M1049-N1051 VanDerWaalsContact C-N 3.31Å; M1049-N1051 PolarHBondContact O-N 3.32Å |
| 1052 | T | 96 | Very high | 93.3 | Very high | 16 Ų | 16 | 26.7 Ų | 26.7 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 7.1 | 174.3 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | L1013 V1017 N1025 P1048 M1049 W1050 | L1013-T1052 HydrophobicContact CD1-CG2 4.1Å; L1013-T1052 WeakPolarHBondContact CD1-OG1 3.44Å; L1013-T1052 HydrophobicContact CD2-CG2 4.39Å; L1013-T1052 HydrophobicContact CG-CG2 4.5Å; V1017-T1052 HydrophobicContact CG2-CG2 3.55Å; N1025-T1052 PolarHBondContact ND2-O 2.97Å; P1048-T1052 WeakPolarHBondContact O-CG2 3.34Å; P1048-T1052 PolarHBondContact O-N 2.92Å; M1049-T1052 PolarHBondContact O-N 2.94Å; M1049-T1052 VanDerWaalsContact O-N 3.08Å; M1049-T1052 PolarHBondContact O-OG1 2.92Å; W1050-T1052 PolarHBondContact O-N 3.44Å; W1050-T1052 VanDerWaalsContact O-N 3.13Å |
| 1053 | G | 96 | Very high | 93.1 | Very high | 28 Ų | 28 | 26.8 Ų | 26.8 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 14.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1025 W1050 Q1055 | N1025-G1053 WeakPolarHBondContact CB-O 3.3Å; N1025-G1053 PolarHBondContact ND2-O 3.02Å; W1050-G1053 WeakPolarHBondContact O-CA 3.5Å; W1050-G1053 PolarHBondContact O-N 3.43Å; G1053-Q1055 VanDerWaalsContact O-CD 3.26Å; G1053-Q1055 PolarHBondContact O-N 3.37Å; G1053-Q1055 PolarHBondContact O-NE2 2.79Å; G1053-Q1055 PolarHBondContact O-OE1 3.45Å |
| 1054 | C | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -66.7 | 122.1 | 175 | -71.3 | 0 | 0 | 0 | 0 | 110.7 | N1025 S1030 V1032 M1049 V1057 | N1025-C1054 PolarHBondContact ND2-N 2.89Å; S1030-C1054 WeakPolarHBondContact OG-CA 3.42Å; S1030-C1054 PolarHBondContact OG-SG 3.11Å; V1032-C1054 HydrophobicContact CG1-CB 4.49Å; M1049-C1054 HydrophobicContact CB-CB 4.33Å; M1049-C1054 WeakPolarHBondContact O-CB 3.44Å; M1049-C1054 PolarHBondContact O-N 3.46Å; C1054-V1057 HydrophobicContact CB-CG2 4.31Å | ||
| 1055 | Q | 97.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -76.3 | -42.9 | -177 | -64.1 | 82.2 | 6.3 | 0 | 0 | 112 | C325 Y327 W328 I329 N1025 L1029 G1053 | C325-Q1055 WeakPolarHBondContact O-CG 3.21Å; C325-Q1055 PolarHBondContact O-NE2 2.94Å; Y327-Q1055 WeakPolarHBondContact O-CB 3.21Å; Y327-Q1055 WeakPolarHBondContact O-CG 3.17Å; W328-Q1055 WeakPolarHBondContact CA-O 3.39Å; I329-Q1055 PolarHBondContact N-O 2.98Å; N1025-Q1055 PolarHBondContact O-NE2 2.89Å; L1029-Q1055 HydrophobicContact CD2-CB 3.9Å; L1029-Q1055 HydrophobicContact CD2-CG 3.77Å; G1053-Q1055 VanDerWaalsContact O-CD 3.26Å; G1053-Q1055 PolarHBondContact O-N 3.37Å; G1053-Q1055 PolarHBondContact O-NE2 2.79Å; G1053-Q1055 PolarHBondContact O-OE1 3.45Å |
| 1056 | M | 97.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 93.4 | -173.4 | -57.9 | 165.2 | 76.4 | 0 | 0 | 110.3 | I329 C361 I413 M1005 S1030 R1031 V1032 A1058 | I329-M1056 HydrophobicContact CB-CG 3.95Å; I329-M1056 HydrophobicContact CD1-CG 4.13Å; I329-M1056 HydrophobicContact CG2-CG 4.35Å; C361-M1056 HydrophobicContact CB-CE 3.49Å; C361-M1056 VanDerWaalsContact CB-CE 3.49Å; C361-M1056 WeakPolarHBondContact SG-CE 3.15Å; I413-M1056 HydrophobicContact CD1-CE 3.98Å; I413-M1056 HydrophobicContact CD1-SD 4.27Å; I413-M1056 HydrophobicContact CG2-CE 4.21Å; M1005-M1056 HydrophobicContact CE-SD 3.86Å; S1030-M1056 PolarHBondContact O-N 2.85Å; R1031-M1056 CarbonylContact C-O 3.55Å; R1031-M1056 VanDerWaalsContact CA-O 3.26Å; R1031-M1056 WeakPolarHBondContact CA-O 3.35Å; R1031-M1056 HydrophobicContact CB-CB 3.86Å; R1031-M1056 HydrophobicContact CB-SD 4.23Å; R1031-M1056 HydrophobicContact CG-CB 3.91Å; V1032-M1056 PolarHBondContact N-O 2.56Å; M1056-A1058 PolarHBondContact O-N 2.8Å |
| 1057 | V | 95.2 | Very high | 87.7 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 94.1 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | V1032 F1044 P1046 M1049 W1050 C1054 L1059 | V1032-V1057 HydrophobicContact CG1-CB 4.01Å; V1032-V1057 HydrophobicContact CG1-CG1 3.89Å; V1032-V1057 HydrophobicContact CG1-CG2 3.78Å; F1044-V1057 HydrophobicContact CE2-CG1 3.6Å; F1044-V1057 HydrophobicContact CZ-CG1 3.67Å; P1046-V1057 HydrophobicContact CB-CG1 3.63Å; M1049-V1057 HydrophobicContact CB-CG1 4.25Å; M1049-V1057 HydrophobicContact CB-CG2 3.7Å; M1049-V1057 HydrophobicContact CG-CG1 4.36Å; W1050-V1057 HydrophobicContact CG-CG2 4.16Å; W1050-V1057 VanDerWaalsContact NE1-CG2 3.29Å; C1054-V1057 HydrophobicContact CB-CG2 4.31Å; V1057-L1059 HydrophobicContact CG1-CD2 4.48Å |
| 1058 | A | 95.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 124.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S331 H333 R1031 V1032 P1034 F1044 M1056 | S331-A1058 VanDerWaalsContact O-CA 3.29Å; S331-A1058 WeakPolarHBondContact O-CA 3.23Å; H333-A1058 HydrophobicContact CB-CB 4.03Å; R1031-A1058 HydrophobicContact CG-CB 4.39Å; V1032-A1058 VanDerWaalsContact O-CB 3.29Å; V1032-A1058 WeakPolarHBondContact O-CB 3.2Å; V1032-A1058 PolarHBondContact O-N 2.69Å; P1034-A1058 WeakPolarHBondContact CD-O 3.24Å; F1044-A1058 WeakPolarHBondContact CE1-O 3.29Å; M1056-A1058 PolarHBondContact O-N 2.8Å |
| 1059 | L | 93.6 | Very high | 84.2 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 153.9 | -179.6 | -60.7 | -179.7 | 0 | 0 | 0 | 111.7 | S331 S332 H333 N1043 F1044 V1057 Y1061 I1068 I1071 | S331-L1059 PolarHBondContact O-N 3.44Å; S331-L1059 VanDerWaalsContact O-N 3.08Å; S332-L1059 CarbonylContact C-O 3.57Å; S332-L1059 WeakPolarHBondContact CA-O 3.42Å; H333-L1059 PolarHBondContact N-O 3.03Å; N1043-L1059 HydrophobicContact CB-CD2 4.21Å; N1043-L1059 WeakPolarHBondContact OD1-CA 3.28Å; N1043-L1059 WeakPolarHBondContact OD1-CB 3.45Å; F1044-L1059 HydrophobicContact CD1-CD2 4.41Å; F1044-L1059 HydrophobicContact CE1-CD2 3.97Å; F1044-L1059 HydrophobicContact CE2-CD2 4.33Å; F1044-L1059 HydrophobicContact CZ-CD2 3.92Å; V1057-L1059 HydrophobicContact CG1-CD2 4.48Å; L1059-Y1061 HydrophobicContact CB-CD2 4.46Å; L1059-Y1061 HydrophobicContact CB-CE2 4.44Å; L1059-Y1061 VanDerWaalsContact O-CD2 3.32Å; L1059-Y1061 WeakPolarHBondContact O-CD2 3.45Å; L1059-Y1061 PolarHBondContact O-N 3.37Å; L1059-I1068 HydrophobicContact CD1-CG1 4.02Å; L1059-I1071 HydrophobicContact CD1-CD1 3.25Å |
| 1060 | N | 92.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -78.9 | 99 | 171.3 | -62.7 | -54.6 | 0 | 0 | 0 | 109 | H333 S1041 S1042 N1043 Q1062 T1063 | H333-N1060 PolarHBondContact ND1-OD1 3.03Å; S1041-N1060 VanDerWaalsContact C-ND2 3.3Å; S1041-N1060 WeakPolarHBondContact O-CB 3.29Å; S1041-N1060 PolarHBondContact O-ND2 3.13Å; S1042-N1060 PolarHBondContact O-ND2 3.36Å; N1043-N1060 PolarHBondContact ND2-O 2.93Å; N1043-N1060 PolarHBondContact OD1-N 3.4Å; N1060-Q1062 VanDerWaalsContact CA-OE1 3.29Å; N1060-Q1062 PolarHBondContact O-N 2.95Å; N1060-T1063 PolarHBondContact O-N 3.41Å | ||
| 1061 | Y | 90.7 | Very high | 80.4 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -27.2 | -174 | -82.2 | -141.8 | 0 | 0 | 0 | 112.7 | F126 S330 S331 A354 M357 C359 L1059 T1063 | F126-Y1061 VanDerWaalsContact CB-O 3.24Å; F126-Y1061 WeakPolarHBondContact CB-O 3.26Å; F126-Y1061 HydrophobicContact CD2-CD1 4.35Å; F126-Y1061 VanDerWaalsContact CE2-CB 3.46Å; F126-Y1061 AromaticContact CE2-CD1 3.98Å; F126-Y1061 HydrophobicContact CE2-CD1 3.98Å; F126-Y1061 HydrophobicContact CE2-CG 4.2Å; F126-Y1061 WeakPolarHBondContact CG-O 3.25Å; S330-Y1061 PolarHBondContact OG-OH 3.33Å; S331-Y1061 WeakPolarHBondContact O-CE2 3.4Å; A354-Y1061 HydrophobicContact CB-CD1 4.18Å; A354-Y1061 HydrophobicContact CB-CE1 4.42Å; M357-Y1061 HydrophobicContact CB-CE1 4.41Å; C359-Y1061 HydrophobicContact CB-CE1 3.88Å; L1059-Y1061 HydrophobicContact CB-CD2 4.46Å; L1059-Y1061 HydrophobicContact CB-CE2 4.44Å; L1059-Y1061 VanDerWaalsContact O-CD2 3.32Å; L1059-Y1061 WeakPolarHBondContact O-CD2 3.45Å; L1059-Y1061 PolarHBondContact O-N 3.37Å; Y1061-T1063 PolarHBondContact O-N 3.24Å |
| 1062 | Q | 87 | Confident | 78.6 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.6 | 177.4 | 74.7 | -78.3 | 23.8 | 0 | 0 | 113.7 | F126 L337 G339 S1041 N1060 | F126-Q1062 VanDerWaalsContact CD1-CA 3.5Å; F126-Q1062 HydrophobicContact CD1-CB 3.72Å; F126-Q1062 HydrophobicContact CE1-CB 4.04Å; L337-Q1062 WeakPolarHBondContact O-CB 3.3Å; G339-Q1062 WeakPolarHBondContact O-CG 3.06Å; G339-Q1062 PolarHBondContact O-NE2 3.17Å; G339-Q1062 VanDerWaalsContact O-NE2 3.12Å; S1041-Q1062 PolarHBondContact OG-NE2 3Å; N1060-Q1062 VanDerWaalsContact CA-OE1 3.29Å; N1060-Q1062 PolarHBondContact O-N 2.95Å |
| 1063 | T | 84.8 | Confident | 76.5 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 23% | 0.233 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -106.9 | 105.1 | 177.2 | -57.2 | 0 | 0 | 0 | 0 | 109.9 | S1041 N1043 N1060 Y1061 I1068 | S1041-T1063 WeakPolarHBondContact CB-OG1 3.26Å; S1041-T1063 VanDerWaalsContact O-CB 3.3Å; S1041-T1063 WeakPolarHBondContact O-CB 3.24Å; S1041-T1063 PolarHBondContact O-OG1 3.38Å; S1041-T1063 VanDerWaalsContact O-OG1 3.07Å; N1043-T1063 PolarHBondContact ND2-O 3.05Å; N1060-T1063 PolarHBondContact O-N 3.41Å; Y1061-T1063 PolarHBondContact O-N 3.24Å; T1063-I1068 WeakPolarHBondContact O-CD1 3.38Å |
| 1064 | A | 70.7 | Confident | 74.2 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 69% | 0.686 | 27% | 0.274 | S | S | * | . | trans | -58.4 | 142.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1065 | G | 64.1 | Low | 73 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | trans | -158.5 | 152 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1067 I1068 I1069 | G1065-L1067 PolarHBondContact O-N 3.37Å; G1065-L1067 VanDerWaalsContact O-N 3.08Å; G1065-I1068 PolarHBondContact O-N 3.14Å; G1065-I1069 PolarHBondContact O-N 3.01Å | ||
| 1066 | E | 57.8 | Low | 71.7 | Confident | 176 Ų | 176 | 55.4 Ų | 55.4 | 82% | 0.822 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -51.6 | -35.9 | -178.8 | -64.5 | 179.9 | 166.8 | 0 | 0 | 112.2 | I1069 L1070 | E1066-I1069 WeakPolarHBondContact O-CB 3.32Å; E1066-I1069 PolarHBondContact O-N 3.49Å; E1066-L1070 PolarHBondContact O-N 3.5Å |
| 1067 | L | 56.8 | Low | 70.3 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -73.9 | -29.4 | -179.6 | -70.2 | 156.4 | 0 | 0 | 0 | 113.9 | P1046 I1047 G1065 I1069 L1070 I1071 | P1046-L1067 HydrophobicContact CG-CB 4.32Å; P1046-L1067 HydrophobicContact CG-CD2 4.41Å; I1047-L1067 HydrophobicContact CD1-CD2 4.18Å; G1065-L1067 PolarHBondContact O-N 3.37Å; G1065-L1067 VanDerWaalsContact O-N 3.08Å; L1067-I1069 VanDerWaalsContact C-N 3.33Å; L1067-L1070 PolarHBondContact O-N 3.18Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.34Å; L1067-I1071 PolarHBondContact O-N 3.32Å |
| 1068 | I | 56.8 | Low | 68.8 | Low | 14 Ų | 14 | 61.5 Ų | 61.5 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 172.7 | -75.7 | 163.5 | 0 | 0 | 0 | 109.4 | N1043 L1059 T1063 G1065 L1070 I1071 L1072 | N1043-I1068 WeakPolarHBondContact ND2-CD1 3.44Å; L1059-I1068 HydrophobicContact CD1-CG1 4.02Å; T1063-I1068 WeakPolarHBondContact O-CD1 3.38Å; G1065-I1068 PolarHBondContact O-N 3.14Å; I1068-L1070 VanDerWaalsContact C-N 3.26Å; I1068-L1070 PolarHBondContact O-N 3.07Å; I1068-I1071 PolarHBondContact O-N 3.44Å; I1068-I1071 VanDerWaalsContact O-N 3.17Å; I1068-L1072 HydrophobicContact CG2-CD1 3.43Å; I1068-L1072 VanDerWaalsContact CG2-CD1 3.43Å; I1068-L1072 HydrophobicContact CG2-CG 4.01Å; I1068-L1072 WeakPolarHBondContact O-CB 3.45Å; I1068-L1072 WeakPolarHBondContact O-CD1 3.28Å; I1068-L1072 WeakPolarHBondContact O-CG 3.38Å; I1068-L1072 PolarHBondContact O-N 3.5Å |
| 1069 | I | 54.2 | Low | 67.2 | Low | 98 Ų | 98 | 65.4 Ų | 65.4 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 175.6 | -60.5 | 172.7 | 0 | 0 | 0 | 109.7 | G1065 E1066 L1067 I1071 L1072 E1073 | G1065-I1069 PolarHBondContact O-N 3.01Å; E1066-I1069 WeakPolarHBondContact O-CB 3.32Å; E1066-I1069 PolarHBondContact O-N 3.49Å; L1067-I1069 VanDerWaalsContact C-N 3.33Å; I1069-I1071 VanDerWaalsContact C-N 3.34Å; I1069-I1071 PolarHBondContact O-N 3.32Å; I1069-L1072 PolarHBondContact O-N 3.13Å; I1069-L1072 VanDerWaalsContact O-N 3.12Å; I1069-E1073 HydrophobicContact CG2-CG 4.37Å; I1069-E1073 WeakPolarHBondContact O-CG 3.35Å; I1069-E1073 PolarHBondContact O-N 3.28Å |
| 1070 | L | 53.3 | Low | 65.4 | Low | 94 Ų | 94 | 69.5 Ų | 69.5 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 177.6 | -140 | 120.2 | 0 | 0 | 0 | 112.7 | E1066 L1067 I1068 L1072 I1074 | E1066-L1070 PolarHBondContact O-N 3.5Å; L1067-L1070 PolarHBondContact O-N 3.18Å; I1068-L1070 VanDerWaalsContact C-N 3.26Å; I1068-L1070 PolarHBondContact O-N 3.07Å; L1070-L1072 VanDerWaalsContact C-N 3.34Å; L1070-I1074 HydrophobicContact CD2-CD1 4.06Å; L1070-I1074 WeakPolarHBondContact O-CD1 3.43Å; L1070-I1074 VanDerWaalsContact O-CG1 3.25Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.5Å; L1070-I1074 PolarHBondContact O-N 3.37Å |
| 1071 | I | 56.9 | Low | 63.5 | Low | 26 Ų | 26 | 74.4 Ų | 74.4 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69 | -32.5 | 175.3 | -68 | 164.5 | 0 | 0 | 0 | 112.3 | P1046 W1050 L1059 L1067 I1068 I1069 | P1046-I1071 HydrophobicContact CG-CD1 4.23Å; W1050-I1071 HydrophobicContact CH2-CD1 3.49Å; W1050-I1071 VanDerWaalsContact CH2-CD1 3.49Å; W1050-I1071 HydrophobicContact CH2-CG1 3.34Å; W1050-I1071 HydrophobicContact CZ2-CD1 3.68Å; W1050-I1071 HydrophobicContact CZ2-CG1 3.74Å; L1059-I1071 HydrophobicContact CD1-CD1 3.25Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.34Å; L1067-I1071 PolarHBondContact O-N 3.32Å; I1068-I1071 PolarHBondContact O-N 3.44Å; I1068-I1071 VanDerWaalsContact O-N 3.17Å; I1069-I1071 VanDerWaalsContact C-N 3.34Å; I1069-I1071 PolarHBondContact O-N 3.32Å |
| 1072 | L | 56.1 | Low | 61.4 | Low | 65 Ų | 65 | 79.4 Ų | 79.4 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -82.5 | -23.1 | -177.6 | -67.6 | 167.5 | 0 | 0 | 0 | 112.7 | M357 I1068 I1069 L1070 | M357-L1072 HydrophobicContact CB-CD2 3.75Å; M357-L1072 HydrophobicContact CE-CD1 3.2Å; M357-L1072 HydrophobicContact CE-CD2 3.4Å; M357-L1072 VanDerWaalsContact CE-CD2 3.4Å; M357-L1072 HydrophobicContact CE-CG 3.92Å; M357-L1072 HydrophobicContact CG-CD2 4.28Å; I1068-L1072 HydrophobicContact CG2-CD1 3.43Å; I1068-L1072 VanDerWaalsContact CG2-CD1 3.43Å; I1068-L1072 HydrophobicContact CG2-CG 4.01Å; I1068-L1072 WeakPolarHBondContact O-CB 3.45Å; I1068-L1072 WeakPolarHBondContact O-CD1 3.28Å; I1068-L1072 WeakPolarHBondContact O-CG 3.38Å; I1068-L1072 PolarHBondContact O-N 3.5Å; I1069-L1072 PolarHBondContact O-N 3.13Å; I1069-L1072 VanDerWaalsContact O-N 3.12Å; L1070-L1072 VanDerWaalsContact C-N 3.34Å |
| 1073 | E | 51.9 | Low | 59.3 | Low | 151 Ų | 151 | 84.2 Ų | 84.2 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -82.3 | -26.4 | 173.6 | -74.1 | -173.7 | 167 | 0 | 0 | 112.9 | I1069 | I1069-E1073 HydrophobicContact CG2-CG 4.37Å; I1069-E1073 WeakPolarHBondContact O-CG 3.35Å; I1069-E1073 PolarHBondContact O-N 3.28Å |
| 1074 | I | 48 | Very low | 57 | Low | 172 Ų | 172 | 88.4 Ų | 88.4 | 88% | 0.882 | 48% | 0.481 | S | S | * | . | trans | -83.4 | 0 | 170.5 | -63.1 | 168.8 | 0 | 0 | 0 | 109.5 | L1070 | L1070-I1074 HydrophobicContact CD2-CD1 4.06Å; L1070-I1074 WeakPolarHBondContact O-CD1 3.43Å; L1070-I1074 VanDerWaalsContact O-CG1 3.25Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.5Å; L1070-I1074 PolarHBondContact O-N 3.37Å |
Retrieved 1,074 of 1,074 residues in 211.6 ms
(Link to these results)