| 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 | 34.5 | Very low | 34.7 | Very low | 231 Ų | 231 | 166.8 Ų | 166.8 | 100% | 1.138 | 83% | 0.832 | S | S | * | * | 0 | 80 | 0 | -71.4 | 132.9 | 163.9 | 0 | 0 | 105.4 | |||||
| 2 | N | 36.2 | Very low | 34.7 | Very low | 150 Ų | 150 | 172.9 Ų | 172.9 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | 58.8 | 114.9 | 92.1 | -63.7 | 27.3 | 0 | 0 | 0 | 110.1 | |||||
| 3 | D | 33.2 | Very low | 34.5 | Very low | 151 Ų | 151 | 172 Ų | 172 | 81% | 0.807 | 84% | 0.84 | S | S | * | * | -170.9 | 144 | 88.8 | -138.7 | -123.8 | 0 | 0 | 0 | 111.4 | |||||
| 4 | E | 44.7 | Very low | 35.1 | Very low | 175 Ų | 175 | 167.7 Ų | 167.7 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -70.5 | 148.9 | 172.3 | -65 | 173.1 | 99.2 | 0 | 0 | 111.1 | ||||
| 5 | T | 34.1 | Very low | 35.2 | Very low | 145 Ų | 145 | 160.6 Ų | 160.6 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -164.6 | 97.1 | 145.3 | -2.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | E | 37.8 | Very low | 35.6 | Very low | 175 Ų | 175 | 157.2 Ų | 157.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -84.3 | 168.3 | 137 | -86.1 | -109.1 | 155.2 | 0 | 0 | 107.5 | ||||
| 7 | P | 42.6 | Very low | 36.5 | Very low | 101 Ų | 101 | 150.4 Ų | 150.4 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | cis | -136.3 | 165.2 | 8.7 | 34.3 | -14.2 | 0 | 0 | 0 | 114.5 | ||||
| 8 | E | 28.8 | Very low | 38.3 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -116.2 | 111.2 | 160.4 | -92.8 | -66.8 | 157.4 | 0 | 0 | 110.8 | W10 | E8-W10 PolarHBondContact O-N 3.05Š| ||
| 9 | S | 30 | Very low | 40.1 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | trans | -70.8 | 111.7 | -174.7 | 63 | 0 | 0 | 0 | 0 | 111.7 | K11 | S9-K11 PolarHBondContact O-N 3.34Š| ||
| 10 | W | 29.3 | Very low | 41.6 | Very low | 249 Ų | 249 | 137.3 Ų | 137.3 | 94% | 0.943 | 72% | 0.719 | S | S | * | * | trans | -71.8 | 101.9 | 155.7 | -68.7 | -20.9 | 0 | 0 | 0 | 108.6 | E8 R12 | E8-W10 PolarHBondContact O-N 3.05Å; W10-R12 PolarHBondContact O-N 2.94Å | ||
| 11 | K | 30.4 | Very low | 42.9 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -43.9 | 106 | 170.9 | -73.8 | 179.4 | 177 | 177.3 | 0 | 109.6 | S9 N13 | S9-K11 PolarHBondContact O-N 3.34Å; K11-N13 PolarHBondContact O-N 2.91Å | ||
| 12 | R | 34.8 | Very low | 44.6 | Very low | 240 Ų | 240 | 126.1 Ų | 126.1 | 91% | 0.906 | 66% | 0.661 | S | S | * | * | trans | -57.3 | 101.5 | 160.9 | -84.8 | 179.3 | -84.2 | -144.2 | -5.3 | 107 | W10 S14 | W10-R12 PolarHBondContact O-N 2.94Å; R12-S14 VanDerWaalsContact C-N 3.29Å; R12-S14 PolarHBondContact O-N 2.92Å | ||
| 13 | N | 32.5 | Very low | 46.1 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 86% | 0.861 | 63% | 0.63 | S | S | * | * | trans | -67.8 | 95.8 | 169.6 | -165.4 | 35.7 | 0 | 0 | 0 | 107.3 | K11 G15 | K11-N13 PolarHBondContact O-N 2.91Å; N13-G15 PolarHBondContact O-N 3.02Å | ||
| 14 | S | 43.3 | Very low | 47.6 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 62% | 0.623 | S | S | * | * | trans | -69.4 | 95 | 174.8 | -164 | 0 | 0 | 0 | 0 | 108.3 | R12 | R12-S14 VanDerWaalsContact C-N 3.29Å; R12-S14 PolarHBondContact O-N 2.92Å | ||
| 15 | G | 36.7 | Very low | 48.6 | Very low | 61 Ų | 61 | 113.7 Ų | 113.7 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | trans | -130.2 | 60 | 166 | 0 | 0 | 0 | 0 | 0 | 108.1 | N13 S17 | N13-G15 PolarHBondContact O-N 3.02Å; G15-S17 PolarHBondContact O-N 3.18Å | ||
| 16 | S | 40.5 | Very low | 50.1 | Low | 106 Ų | 106 | 109.1 Ų | 109.1 | 74% | 0.741 | 58% | 0.584 | S | S | * | * | trans | -65.4 | 83.4 | 170.8 | 56.1 | 0 | 0 | 0 | 0 | 108.4 | S18 | S16-S18 PolarHBondContact O-N 2.95Š| ||
| 17 | S | 51.3 | Low | 51.4 | Low | 42 Ų | 42 | 106.8 Ų | 106.8 | 29% | 0.294 | 58% | 0.584 | S | S | . | * | trans | -61 | 106.3 | 162.9 | 59.1 | 0 | 0 | 0 | 0 | 105.8 | G15 I19 R41 | G15-S17 PolarHBondContact O-N 3.18Å; S17-I19 PolarHBondContact O-N 3.2Å; S17-R41 PolarHBondContact OG-NH1 3.44Å | ||
| 18 | S | 69.3 | Low | 52.8 | Low | 54 Ų | 54 | 105.7 Ų | 105.7 | 38% | 0.378 | 59% | 0.591 | S | S | . | * | trans | -50.6 | 138.1 | 179.4 | 177 | 0 | 0 | 0 | 0 | 108.5 | S16 E20 Q21 M22 | S16-S18 PolarHBondContact O-N 2.95Å; S18-E20 PolarHBondContact O-N 2.79Å; S18-E20 VanDerWaalsContact O-N 3.08Å; S18-E20 PolarHBondContact OG-N 3.35Å; S18-Q21 WeakPolarHBondContact O-CA 3.23Å; S18-Q21 VanDerWaalsContact O-CB 3.23Å; S18-Q21 WeakPolarHBondContact O-CB 3.39Å; S18-Q21 PolarHBondContact O-N 3.4Å; S18-M22 PolarHBondContact O-N 3.39Å | ||
| 19 | I | 71.5 | Confident | 55.4 | Low | 15 Ų | 15 | 100.9 Ų | 100.9 | 8% | 0.077 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -53.9 | -31.2 | 177.6 | -169.4 | 169.5 | 0 | 0 | 0 | 111 | S17 Q21 M22 L23 Y38 L92 L95 K96 | S17-I19 PolarHBondContact O-N 3.2Å; I19-Q21 VanDerWaalsContact C-N 3.33Å; I19-Q21 PolarHBondContact O-N 3.47Å; I19-M22 PolarHBondContact O-N 3.48Å; I19-L23 HydrophobicContact CG1-CD1 4.12Å; I19-L23 WeakPolarHBondContact O-CD1 3.45Å; I19-L23 WeakPolarHBondContact O-CG 3.06Å; I19-L23 PolarHBondContact O-N 3.08Å; I19-L23 VanDerWaalsContact O-N 3.09Å; I19-Y38 HydrophobicContact CB-CD2 4.2Å; I19-Y38 HydrophobicContact CB-CE2 3.88Å; I19-Y38 HydrophobicContact CD1-CD1 4.25Å; I19-Y38 HydrophobicContact CD1-CD2 3.98Å; I19-Y38 HydrophobicContact CD1-CE1 4.19Å; I19-Y38 HydrophobicContact CD1-CE2 3.93Å; I19-Y38 HydrophobicContact CD1-CG 4.14Å; I19-Y38 HydrophobicContact CG1-CD2 3.91Å; I19-Y38 HydrophobicContact CG1-CE2 4Å; I19-Y38 HydrophobicContact CG1-CG 4.43Å; I19-L92 HydrophobicContact CD1-CD2 4Å; I19-L95 HydrophobicContact CD1-CB 3.37Å; I19-L95 HydrophobicContact CD1-CD1 4.2Å; I19-L95 HydrophobicContact CD1-CG 4.4Å; I19-K96 HydrophobicContact CG2-CB 4.42Å; I19-K96 HydrophobicContact CG2-CG 4.03Å |
| 20 | E | 70.6 | Confident | 58.2 | Low | 120 Ų | 120 | 99.7 Ų | 99.7 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.6 | -40.8 | 172.5 | -62.3 | -172.1 | 147.2 | 0 | 0 | 112.6 | S18 L23 A24 | S18-E20 PolarHBondContact O-N 2.79Å; S18-E20 VanDerWaalsContact O-N 3.08Å; S18-E20 PolarHBondContact OG-N 3.35Å; E20-L23 PolarHBondContact O-N 2.86Å; E20-A24 WeakPolarHBondContact O-CB 3.44Å; E20-A24 PolarHBondContact O-N 2.75Å |
| 21 | Q | 70 | Confident | 61.1 | Low | 121 Ų | 121 | 88.9 Ų | 88.9 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.8 | -39.5 | 179.2 | -142.5 | 164.3 | 11.2 | 0 | 0 | 111 | S18 I19 L23 A24 V25 | S18-Q21 WeakPolarHBondContact O-CA 3.23Å; S18-Q21 VanDerWaalsContact O-CB 3.23Å; S18-Q21 WeakPolarHBondContact O-CB 3.39Å; S18-Q21 PolarHBondContact O-N 3.4Å; I19-Q21 VanDerWaalsContact C-N 3.33Å; I19-Q21 PolarHBondContact O-N 3.47Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.06Å; Q21-A24 PolarHBondContact O-N 2.8Å; Q21-V25 WeakPolarHBondContact O-CB 3.49Å; Q21-V25 WeakPolarHBondContact O-CG2 3.41Å; Q21-V25 PolarHBondContact O-N 3.46Å |
| 22 | M | 68.8 | Low | 64.1 | Low | 13 Ų | 13 | 81.7 Ų | 81.7 | 6% | 0.064 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 174.7 | -74.5 | -173.6 | 60 | 0 | 0 | 113 | S18 I19 E37 Y38 | S18-M22 PolarHBondContact O-N 3.39Å; I19-M22 PolarHBondContact O-N 3.48Å; M22-E37 HydrophobicContact CE-CB 3.96Å; M22-E37 HydrophobicContact CE-CG 3.69Å; M22-Y38 HydrophobicContact SD-CD2 4.29Å |
| 23 | L | 69.1 | Low | 66.8 | Low | 31 Ų | 31 | 72.7 Ų | 72.7 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -74.5 | -32.9 | 178.6 | -65 | 172.7 | 0 | 0 | 0 | 112 | I19 E20 Q21 L34 L92 K96 | I19-L23 HydrophobicContact CG1-CD1 4.12Å; I19-L23 WeakPolarHBondContact O-CD1 3.45Å; I19-L23 WeakPolarHBondContact O-CG 3.06Å; I19-L23 PolarHBondContact O-N 3.08Å; I19-L23 VanDerWaalsContact O-N 3.09Å; E20-L23 PolarHBondContact O-N 2.86Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.06Å; L23-L34 HydrophobicContact CD2-CB 3.99Å; L23-L34 HydrophobicContact CD2-CD1 3.63Å; L23-L34 HydrophobicContact CD2-CD2 4.16Å; L23-L34 HydrophobicContact CD2-CG 4.12Å; L23-L92 HydrophobicContact CD2-CD1 4.2Å; L23-L92 HydrophobicContact CD2-CD2 4.5Å; L23-K96 HydrophobicContact CD1-CD 3.86Å; L23-K96 HydrophobicContact CD1-CG 3.93Å; L23-K96 VanDerWaalsContact CD1-NZ 3.26Å |
| 24 | A | 64.7 | Low | 69.5 | Low | 80 Ų | 80 | 65.7 Ų | 65.7 | 66% | 0.661 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71.6 | -32.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | E20 Q21 N26 | E20-A24 WeakPolarHBondContact O-CB 3.44Å; E20-A24 PolarHBondContact O-N 2.75Å; Q21-A24 PolarHBondContact O-N 2.8Å; A24-N26 PolarHBondContact O-N 3.48Å |
| 25 | V | 64 | Low | 71.8 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 63% | 0.63 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -78.5 | -16.3 | -175.8 | 175.3 | 0 | 0 | 0 | 0 | 113 | Q21 | Q21-V25 WeakPolarHBondContact O-CB 3.49Å; Q21-V25 WeakPolarHBondContact O-CG2 3.41Å; Q21-V25 PolarHBondContact O-N 3.46Å |
| 26 | N | 67.4 | Low | 74.4 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | trans | -141 | 67.8 | -175.4 | -64.1 | -82.6 | 0 | 0 | 0 | 114.4 | A24 G28 K29 L34 | A24-N26 PolarHBondContact O-N 3.48Å; N26-G28 PolarHBondContact O-N 3.17Å; N26-K29 HydrophobicContact CB-CB 4.45Å; N26-K29 HydrophobicContact CB-CD 3.81Å; N26-K29 HydrophobicContact CB-CG 4.08Å; N26-K29 PolarHBondContact O-N 3.05Å; N26-L34 HydrophobicContact CB-CD2 4.33Å | ||
| 27 | P | 64.3 | Low | 76.8 | Confident | 126 Ų | 126 | 58.5 Ų | 58.5 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.7 | -178.5 | 25.8 | -34.2 | 0 | 0 | 0 | 114.6 | ||
| 28 | G | 72.3 | Confident | 78.6 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 79% | 0.794 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -6.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | N26 | N26-G28 PolarHBondContact O-N 3.17Š|
| 29 | K | 82.7 | Confident | 79.5 | Confident | 76 Ų | 76 | 55.9 Ų | 55.9 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -86.6 | 145.9 | -178.6 | -73.4 | -179 | -179.9 | 169.8 | 0 | 110.8 | N26 L34 E37 | N26-K29 HydrophobicContact CB-CB 4.45Å; N26-K29 HydrophobicContact CB-CD 3.81Å; N26-K29 HydrophobicContact CB-CG 4.08Å; N26-K29 PolarHBondContact O-N 3.05Å; K29-L34 HydrophobicContact CB-CD1 4.2Å; K29-L34 HydrophobicContact CB-CD2 3.96Å; K29-L34 HydrophobicContact CB-CG 3.82Å; K29-L34 HydrophobicContact CD-CD2 4.12Å; K29-E37 IonicContact NZ-OE2 2.63Å; K29-E37 PolarHBondContact NZ-OE2 3.13Å |
| 30 | T | 89.3 | Confident | 80.4 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | trans | -68.4 | 148.9 | 174.8 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | I32 S33 L34 | T30-I32 PolarHBondContact O-N 3.04Å; T30-I32 VanDerWaalsContact O-N 3.12Å; T30-S33 WeakPolarHBondContact O-CA 3.48Å; T30-S33 WeakPolarHBondContact O-CB 3.16Å; T30-S33 PolarHBondContact O-N 3.34Å; T30-S33 PolarHBondContact OG1-N 3.44Å; T30-L34 PolarHBondContact O-N 3.11Å | ||
| 31 | P | 90.6 | Very high | 81.1 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 14% | 0.143 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -50.1 | -35.3 | 172.6 | -30.3 | 38.2 | 0 | 0 | 0 | 113.4 | L34 L35 H85 A88 E89 L92 | P31-L34 PolarHBondContact O-N 3.45Å; P31-L35 VanDerWaalsContact O-CB 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.5Å; P31-L35 PolarHBondContact O-N 2.82Å; P31-H85 WeakPolarHBondContact CD-CE1 3.47Å; P31-H85 WeakPolarHBondContact CD-NE2 3.31Å; P31-H85 WeakPolarHBondContact CG-NE2 3.33Å; P31-A88 HydrophobicContact CB-CB 4.12Å; P31-E89 HydrophobicContact CB-CB 4.22Å; P31-E89 HydrophobicContact CG-CB 4.38Å; P31-L92 HydrophobicContact CB-CD1 3.94Å; P31-L92 WeakPolarHBondContact O-CD1 3.26Å |
| 32 | I | 92.3 | Very high | 81.9 | Confident | 42 Ų | 42 | 58 Ų | 58 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 174.9 | -56.7 | 171.3 | 0 | 0 | 0 | 110.6 | T30 L35 Q36 Y48 K84 H85 A88 | T30-I32 PolarHBondContact O-N 3.04Å; T30-I32 VanDerWaalsContact O-N 3.12Å; I32-L35 PolarHBondContact O-N 3.07Å; I32-Q36 WeakPolarHBondContact O-CB 3.47Å; I32-Q36 PolarHBondContact O-N 3.32Å; I32-Y48 HydrophobicContact CG2-CE2 4.42Å; I32-K84 HydrophobicContact CD1-CB 3.95Å; I32-H85 HydrophobicContact CD1-CB 4.16Å; I32-H85 HydrophobicContact CG1-CB 4.44Å; I32-A88 HydrophobicContact CG1-CB 3.97Å |
| 33 | S | 91.1 | Very high | 82.7 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 112.4 | T30 E37 | T30-S33 WeakPolarHBondContact O-CA 3.48Å; T30-S33 WeakPolarHBondContact O-CB 3.16Å; T30-S33 PolarHBondContact O-N 3.34Å; T30-S33 PolarHBondContact OG1-N 3.44Å; S33-E37 WeakPolarHBondContact O-CB 3.48Å; S33-E37 PolarHBondContact O-N 3.49Å |
| 34 | L | 90.5 | Very high | 83.7 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.6 | -43.6 | 179.2 | -71.1 | 162.2 | 0 | 0 | 0 | 111.1 | L23 N26 K29 T30 P31 Q36 E37 Y38 L92 | L23-L34 HydrophobicContact CD2-CB 3.99Å; L23-L34 HydrophobicContact CD2-CD1 3.63Å; L23-L34 HydrophobicContact CD2-CD2 4.16Å; L23-L34 HydrophobicContact CD2-CG 4.12Å; N26-L34 HydrophobicContact CB-CD2 4.33Å; K29-L34 HydrophobicContact CB-CD1 4.2Å; K29-L34 HydrophobicContact CB-CD2 3.96Å; K29-L34 HydrophobicContact CB-CG 3.82Å; K29-L34 HydrophobicContact CD-CD2 4.12Å; T30-L34 PolarHBondContact O-N 3.11Å; P31-L34 PolarHBondContact O-N 3.45Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-E37 PolarHBondContact O-N 2.88Å; L34-Y38 WeakPolarHBondContact O-CB 3.44Å; L34-Y38 PolarHBondContact O-N 2.96Å; L34-L92 HydrophobicContact CB-CD1 4.02Å |
| 35 | L | 90.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 176.1 | -169.7 | 66 | 0 | 0 | 0 | 111.9 | P31 I32 G39 P46 V66 V68 A88 A91 L92 L95 | P31-L35 VanDerWaalsContact O-CB 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.5Å; P31-L35 PolarHBondContact O-N 2.82Å; I32-L35 PolarHBondContact O-N 3.07Å; L35-G39 PolarHBondContact O-N 3.01Å; L35-P46 HydrophobicContact CD2-CB 4.07Å; L35-P46 HydrophobicContact CG-CB 4.13Å; L35-P46 HydrophobicContact CG-CG 4.31Å; L35-V66 HydrophobicContact CD2-CG1 4.4Å; L35-V66 HydrophobicContact CD2-CG2 3.73Å; L35-V68 HydrophobicContact CD1-CG2 4Å; L35-V68 HydrophobicContact CD2-CG2 3.93Å; L35-V68 HydrophobicContact CG-CG2 4.07Å; L35-A88 HydrophobicContact CD2-CB 3.94Å; L35-A91 HydrophobicContact CD1-CB 4.21Å; L35-A91 HydrophobicContact CD2-CB 3.83Å; L35-L92 HydrophobicContact CB-CD1 4.46Å; L35-L92 HydrophobicContact CB-CD2 4.06Å; L35-L92 HydrophobicContact CB-CG 4.12Å; L35-L92 HydrophobicContact CD1-CD2 3.65Å; L35-L92 HydrophobicContact CD1-CG 3.96Å; L35-L92 HydrophobicContact CG-CD2 4.48Å; L35-L95 HydrophobicContact CD1-CD1 3.54Å |
| 36 | Q | 92.3 | Very high | 86.3 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 173.6 | -175.5 | 66.5 | 41.6 | 0 | 0 | 111.4 | I32 L34 Y38 G39 T40 P46 | I32-Q36 WeakPolarHBondContact O-CB 3.47Å; I32-Q36 PolarHBondContact O-N 3.32Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-Y38 PolarHBondContact O-N 3.1Å; Q36-G39 PolarHBondContact O-N 2.95Å; Q36-T40 PolarHBondContact O-N 3.48Å; Q36-T40 PolarHBondContact O-OG1 3.33Å; Q36-T40 VanDerWaalsContact O-OG1 3.11Å; Q36-P46 HydrophobicContact CB-CG 4.4Å |
| 37 | E | 90.2 | Very high | 87.6 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 23% | 0.234 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 179.8 | -166.7 | -176.5 | 147.9 | 0 | 0 | 111.3 | M22 K29 S33 L34 T40 R41 | M22-E37 HydrophobicContact CE-CB 3.96Å; M22-E37 HydrophobicContact CE-CG 3.69Å; K29-E37 IonicContact NZ-OE2 2.63Å; K29-E37 PolarHBondContact NZ-OE2 3.13Å; S33-E37 WeakPolarHBondContact O-CB 3.48Å; S33-E37 PolarHBondContact O-N 3.49Å; L34-E37 PolarHBondContact O-N 2.88Å; E37-T40 PolarHBondContact O-N 3.32Å; E37-R41 WeakPolarHBondContact O-CG 3.37Å; E37-R41 PolarHBondContact O-N 3.09Å; E37-R41 VanDerWaalsContact O-N 3.17Å; E37-R41 IonicContact OE1-CZ 3.67Å; E37-R41 IonicContact OE1-NE 2.75Å; E37-R41 IonicContact OE1-NH2 2.86Å; E37-R41 PolarHBondContact OE1-NH2 3.25Å |
| 38 | Y | 88.2 | Confident | 89.2 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 175.4 | 178.1 | -99.1 | 0 | 0 | 0 | 111.5 | I19 M22 L34 Q36 T40 R41 I42 L95 | I19-Y38 HydrophobicContact CB-CD2 4.2Å; I19-Y38 HydrophobicContact CB-CE2 3.88Å; I19-Y38 HydrophobicContact CD1-CD1 4.25Å; I19-Y38 HydrophobicContact CD1-CD2 3.98Å; I19-Y38 HydrophobicContact CD1-CE1 4.19Å; I19-Y38 HydrophobicContact CD1-CE2 3.93Å; I19-Y38 HydrophobicContact CD1-CG 4.14Å; I19-Y38 HydrophobicContact CG1-CD2 3.91Å; I19-Y38 HydrophobicContact CG1-CE2 4Å; I19-Y38 HydrophobicContact CG1-CG 4.43Å; M22-Y38 HydrophobicContact SD-CD2 4.29Å; L34-Y38 WeakPolarHBondContact O-CB 3.44Å; L34-Y38 PolarHBondContact O-N 2.96Å; Q36-Y38 PolarHBondContact O-N 3.1Å; Y38-T40 VanDerWaalsContact C-N 3.31Å; Y38-T40 PolarHBondContact O-N 3.39Å; Y38-R41 WeakPolarHBondContact O-CB 3.13Å; Y38-R41 PolarHBondContact O-N 3.28Å; Y38-I42 HydrophobicContact CD1-CD1 4.01Å; Y38-I42 HydrophobicContact CD1-CG1 4.34Å; Y38-I42 HydrophobicContact CE1-CD1 3.45Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.45Å; Y38-I42 HydrophobicContact CE1-CG1 4.12Å; Y38-I42 HydrophobicContact CE1-CG2 4.19Å; Y38-I42 HydrophobicContact CE2-CG2 4.03Å; Y38-I42 WeakPolarHBondContact O-CG1 3.35Å; Y38-I42 PolarHBondContact O-N 3.29Å; Y38-L95 HydrophobicContact CD1-CD1 3.91Å; Y38-L95 HydrophobicContact CE1-CD1 3.71Å; Y38-L95 HydrophobicContact CE1-CD2 3.86Å; Y38-L95 HydrophobicContact CE1-CG 4.28Å |
| 39 | G | 89.3 | Confident | 90.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L35 Q36 I42 G43 K44 | L35-G39 PolarHBondContact O-N 3.01Å; Q36-G39 PolarHBondContact O-N 2.95Å; G39-I42 WeakPolarHBondContact O-CG1 3.45Å; G39-I42 PolarHBondContact O-N 3.27Å; G39-G43 CarbonylContact O-C 3.58Å; G39-G43 PolarHBondContact O-N 2.85Å; G39-K44 CarbonylContact C-O 3.48Å; G39-K44 WeakPolarHBondContact CA-O 3.34Å; G39-K44 CarbonylContact O-C 3.31Å; G39-K44 VanDerWaalsContact O-C 3.31Å; G39-K44 PolarHBondContact O-N 3.34Å |
| 40 | T | 89.3 | Confident | 91 | Very high | 86 Ų | 86 | 55.8 Ų | 55.8 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 175.1 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | Q36 E37 Y38 G43 | Q36-T40 PolarHBondContact O-N 3.48Å; Q36-T40 PolarHBondContact O-OG1 3.33Å; Q36-T40 VanDerWaalsContact O-OG1 3.11Å; E37-T40 PolarHBondContact O-N 3.32Å; Y38-T40 VanDerWaalsContact C-N 3.31Å; Y38-T40 PolarHBondContact O-N 3.39Å; T40-G43 PolarHBondContact O-N 2.95Å |
| 41 | R | 86.9 | Confident | 91.3 | Very high | 142 Ų | 142 | 56.6 Ų | 56.6 | 54% | 0.536 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 176.5 | -70.8 | -175.3 | -171 | -160 | 3.5 | 113.1 | S17 E37 Y38 G43 | S17-R41 PolarHBondContact OG-NH1 3.44Å; E37-R41 WeakPolarHBondContact O-CG 3.37Å; E37-R41 PolarHBondContact O-N 3.09Å; E37-R41 VanDerWaalsContact O-N 3.17Å; E37-R41 IonicContact OE1-CZ 3.67Å; E37-R41 IonicContact OE1-NE 2.75Å; E37-R41 IonicContact OE1-NH2 2.86Å; E37-R41 PolarHBondContact OE1-NH2 3.25Å; Y38-R41 WeakPolarHBondContact O-CB 3.13Å; Y38-R41 PolarHBondContact O-N 3.28Å; R41-G43 VanDerWaalsContact C-N 3.33Å |
| 42 | I | 85.7 | Confident | 91.5 | Very high | 71 Ų | 71 | 61 Ų | 61 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.1 | 179.4 | 65.6 | 160.9 | 0 | 0 | 0 | 113.5 | Y38 G39 K44 V68 | Y38-I42 HydrophobicContact CD1-CD1 4.01Å; Y38-I42 HydrophobicContact CD1-CG1 4.34Å; Y38-I42 HydrophobicContact CE1-CD1 3.45Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.45Å; Y38-I42 HydrophobicContact CE1-CG1 4.12Å; Y38-I42 HydrophobicContact CE1-CG2 4.19Å; Y38-I42 HydrophobicContact CE2-CG2 4.03Å; Y38-I42 WeakPolarHBondContact O-CG1 3.35Å; Y38-I42 PolarHBondContact O-N 3.29Å; G39-I42 WeakPolarHBondContact O-CG1 3.45Å; G39-I42 PolarHBondContact O-N 3.27Å; I42-K44 HydrophobicContact CD1-CB 3.83Å; I42-K44 HydrophobicContact CD1-CD 4.39Å; I42-K44 HydrophobicContact CD1-CG 4.16Å; I42-K44 HydrophobicContact CG1-CB 4Å; I42-K44 HydrophobicContact CG1-CG 4.33Å; I42-K44 PolarHBondContact O-N 3.04Å; I42-V68 HydrophobicContact CD1-CG1 4.33Å |
| 43 | G | 86.5 | Confident | 91.6 | Very high | 69 Ų | 69 | 62.1 Ų | 62.1 | 71% | 0.711 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 15.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | G39 T40 R41 | G39-G43 CarbonylContact O-C 3.58Å; G39-G43 PolarHBondContact O-N 2.85Å; T40-G43 PolarHBondContact O-N 2.95Å; R41-G43 VanDerWaalsContact C-N 3.33Å |
| 44 | K | 88.4 | Confident | 91.6 | Very high | 96 Ų | 96 | 64 Ų | 64 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | trans | -123.1 | 77.7 | 180 | -54.2 | -163.1 | -177.6 | -173.5 | 0 | 109.5 | G39 I42 V68 | G39-K44 CarbonylContact C-O 3.48Å; G39-K44 WeakPolarHBondContact CA-O 3.34Å; G39-K44 CarbonylContact O-C 3.31Å; G39-K44 VanDerWaalsContact O-C 3.31Å; G39-K44 PolarHBondContact O-N 3.34Å; I42-K44 HydrophobicContact CD1-CB 3.83Å; I42-K44 HydrophobicContact CD1-CD 4.39Å; I42-K44 HydrophobicContact CD1-CG 4.16Å; I42-K44 HydrophobicContact CG1-CB 4Å; I42-K44 HydrophobicContact CG1-CG 4.33Å; I42-K44 PolarHBondContact O-N 3.04Å; K44-V68 HydrophobicContact CB-CG1 4.44Å; K44-V68 WeakPolarHBondContact O-CG1 3.24Å | ||
| 45 | T | 90.5 | Very high | 91.6 | Very high | 79 Ų | 79 | 66.2 Ų | 66.2 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | trans | -64.7 | 134.8 | -177.6 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | V47 | T45-V47 PolarHBondContact O-N 3.38Š| ||
| 46 | P | 94 | Very high | 91.5 | Very high | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.071 | 40% | 0.395 | C | S | . | . | trans | -66.8 | 129.8 | -178.5 | 26.8 | -34.2 | 0 | 0 | 0 | 112.1 | L35 Q36 Y48 V66 S67 V68 | L35-P46 HydrophobicContact CD2-CB 4.07Å; L35-P46 HydrophobicContact CG-CB 4.13Å; L35-P46 HydrophobicContact CG-CG 4.31Å; Q36-P46 HydrophobicContact CB-CG 4.4Å; P46-Y48 HydrophobicContact CB-CE2 4.04Å; P46-Y48 HydrophobicContact CG-CE2 4.31Å; P46-V66 HydrophobicContact CB-CG2 3.83Å; P46-S67 WeakPolarHBondContact CA-O 3.38Å; P46-V68 HydrophobicContact CB-CG2 3.74Å | ||
| 47 | V | 95.3 | Very high | 91.1 | Very high | 77 Ų | 77 | 73.6 Ų | 73.6 | 47% | 0.467 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133.3 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | T45 V66 S67 | T45-V47 PolarHBondContact O-N 3.38Å; V47-V66 CarbonylContact O-C 3.56Å; V47-V66 VanDerWaalsContact O-CA 3.25Å; V47-V66 WeakPolarHBondContact O-CA 3.49Å; V47-S67 PolarHBondContact N-O 3.42Å; V47-S67 PolarHBondContact O-N 3.5Å |
| 48 | Y | 96 | Very high | 90.7 | Very high | 43 Ų | 43 | 77.8 Ų | 77.8 | 17% | 0.169 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 115.3 | -178.8 | -69.8 | -90.6 | 0 | 0 | 0 | 111.8 | I32 P46 R65 V66 K84 A88 | I32-Y48 HydrophobicContact CG2-CE2 4.42Å; P46-Y48 HydrophobicContact CB-CE2 4.04Å; P46-Y48 HydrophobicContact CG-CE2 4.31Å; Y48-R65 CarbonylContact C-O 3.57Å; Y48-R65 VanDerWaalsContact CA-O 3.3Å; Y48-R65 WeakPolarHBondContact CA-O 3.48Å; Y48-V66 HydrophobicContact CD1-CB 3.84Å; Y48-V66 HydrophobicContact CD1-CG2 3.9Å; Y48-V66 HydrophobicContact CD2-CG2 4.4Å; Y48-V66 HydrophobicContact CE1-CB 3.66Å; Y48-V66 HydrophobicContact CE1-CG2 3.52Å; Y48-V66 HydrophobicContact CE2-CG2 4.06Å; Y48-V66 HydrophobicContact CG-CG2 4.33Å; Y48-K84 HydrophobicContact CD1-CB 4.14Å; Y48-K84 HydrophobicContact CD1-CD 4.24Å; Y48-K84 HydrophobicContact CD1-CG 3.85Å; Y48-K84 HydrophobicContact CE1-CB 4.15Å; Y48-K84 HydrophobicContact CE1-CG 4.37Å; Y48-K84 HydrophobicContact CG-CD 4.33Å; Y48-K84 HydrophobicContact CG-CG 4.4Å; Y48-A88 HydrophobicContact CE1-CB 4.33Å; Y48-A88 VanDerWaalsContact OH-CB 3.31Å; Y48-A88 WeakPolarHBondContact OH-CB 3.3Å |
| 49 | D | 96.6 | Very high | 90.6 | Very high | 57 Ų | 57 | 81.2 Ų | 81.2 | 31% | 0.305 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.3 | 177.7 | -58 | -33.9 | 0 | 0 | 0 | 110.7 | L51 F64 R65 | D49-L51 HydrophobicContact CB-CD2 4.5Å; D49-L51 PolarHBondContact O-N 2.96Å; D49-F64 CarbonylContact O-C 2.99Å; D49-F64 VanDerWaalsContact O-CA 3.32Å; D49-F64 WeakPolarHBondContact O-CA 3.38Å; D49-F64 VanDerWaalsContact O-CD1 3.24Å; D49-F64 WeakPolarHBondContact O-CD1 3.43Å; D49-R65 PolarHBondContact N-O 3.31Å; D49-R65 PolarHBondContact O-N 3Å; D49-R65 IonicContact OD2-CZ 3.69Å; D49-R65 IonicContact OD2-NE 2.82Å; D49-R65 IonicContact OD2-NH2 3.1Å; D49-R65 PolarHBondContact OD2-NH2 3.32Å |
| 50 | L | 96.8 | Very high | 90.7 | Very high | 79 Ų | 79 | 83.4 Ų | 83.4 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 110.9 | 169.2 | 177.1 | 65.4 | 0 | 0 | 0 | 108.4 | K52 A53 F62 F64 | L50-K52 WeakPolarHBondContact CD1-O 3.48Å; L50-A53 HydrophobicContact CD2-CB 4.42Å; L50-F62 HydrophobicContact CD1-CB 4.5Å; L50-F62 HydrophobicContact CD1-CD1 4.23Å; L50-F64 HydrophobicContact CB-CD1 4.49Å; L50-F64 HydrophobicContact CB-CE1 3.84Å; L50-F64 HydrophobicContact CB-CE2 4.26Å; L50-F64 HydrophobicContact CB-CZ 3.73Å; L50-F64 HydrophobicContact CD1-CD2 3.9Å; L50-F64 HydrophobicContact CD1-CE2 3.43Å; L50-F64 VanDerWaalsContact CD1-CE2 3.43Å; L50-F64 HydrophobicContact CD1-CZ 3.8Å; L50-F64 HydrophobicContact CG-CE2 4.38Å; L50-F64 HydrophobicContact CG-CZ 4.27Å |
| 51 | L | 96 | Very high | 90.9 | Very high | 80 Ų | 80 | 81.6 Ų | 81.6 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -44.6 | 179.2 | -64.3 | -174.5 | 0 | 0 | 0 | 112.2 | D49 T63 R65 T74 | D49-L51 HydrophobicContact CB-CD2 4.5Å; D49-L51 PolarHBondContact O-N 2.96Å; L51-T63 HydrophobicContact CB-CG2 4.28Å; L51-T63 HydrophobicContact CD1-CG2 4.39Å; L51-T63 PolarHBondContact N-O 3.16Å; L51-R65 HydrophobicContact CD1-CB 3.78Å; L51-R65 HydrophobicContact CD2-CB 4.27Å; L51-R65 HydrophobicContact CG-CB 3.91Å; L51-T74 HydrophobicContact CD1-CG2 3.98Å |
| 52 | K | 94.1 | Very high | 91.4 | Very high | 113 Ų | 113 | 76.6 Ų | 76.6 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141.4 | -177.6 | -61.5 | -173.8 | 176.8 | -173.5 | 0 | 111.2 | L50 F62 T63 | L50-K52 WeakPolarHBondContact CD1-O 3.48Å; K52-F62 WeakPolarHBondContact O-CA 3.49Å; K52-T63 PolarHBondContact N-O 2.82Å; K52-T63 PolarHBondContact O-N 2.92Å |
| 53 | A | 95.2 | Very high | 91.9 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 98.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | L50 F62 | L50-A53 HydrophobicContact CD2-CB 4.42Å; A53-F62 HydrophobicContact CB-CD1 3.8Å; A53-F62 HydrophobicContact CB-CE1 3.86Å |
| 54 | E | 91.8 | Very high | 92.4 | Very high | 92 Ų | 92 | 70.8 Ų | 70.8 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | -178.8 | -173.2 | 66.2 | -166.3 | 163.6 | 0 | 0 | 110.2 | N61 | E54-N61 HydrophobicContact CG-CB 4.37Å; E54-N61 PolarHBondContact N-O 3.3Å; E54-N61 PolarHBondContact O-N 2.96Å; E54-N61 VanDerWaalsContact O-O 3.09Å |
| 55 | G | 90.6 | Very high | 92.8 | Very high | 60 Ų | 60 | 70.5 Ų | 70.5 | 62% | 0.619 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 95.7 | 169.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 56 | Q | 88.7 | Confident | 93.2 | Very high | 123 Ų | 123 | 66.7 Ų | 66.7 | 58% | 0.575 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 156.1 | -177.4 | -65.8 | -179.6 | -24.9 | 0 | 0 | 110.3 | H58 Q59 P60 | Q56-H58 PolarHBondContact O-N 2.95Å; Q56-H58 VanDerWaalsContact O-N 3.08Å; Q56-H58 PolarHBondContact OE1-CE1 3.3Å; Q56-H58 PolarHBondContact OE1-NE2 3.07Å; Q56-Q59 PolarHBondContact N-O 3.25Å; Q56-Q59 CarbonylContact O-C 3.55Å; Q56-Q59 WeakPolarHBondContact O-CA 3.25Å; Q56-Q59 PolarHBondContact O-N 3.42Å; Q56-P60 VanDerWaalsContact O-N 3.09Å |
| 57 | A | 82.9 | Confident | 93.2 | Very high | 110 Ų | 110 | 67.7 Ų | 67.7 | 91% | 0.909 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 58 | H | 81.6 | Confident | 93 | Very high | 137 Ų | 137 | 64.3 Ų | 64.3 | 63% | 0.634 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.7 | 176.3 | 64.9 | -93 | 0 | 0 | 0 | 113.8 | Q56 | Q56-H58 PolarHBondContact O-N 2.95Å; Q56-H58 VanDerWaalsContact O-N 3.08Å; Q56-H58 PolarHBondContact OE1-CE1 3.3Å; Q56-H58 PolarHBondContact OE1-NE2 3.07Å |
| 59 | Q | 85.4 | Confident | 92.6 | Very high | 115 Ų | 115 | 64.1 Ų | 64.1 | 54% | 0.537 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 70.3 | 177 | -167.9 | 177 | 72.1 | 0 | 0 | 110.4 | Q56 | Q56-Q59 PolarHBondContact N-O 3.25Å; Q56-Q59 CarbonylContact O-C 3.55Å; Q56-Q59 WeakPolarHBondContact O-CA 3.25Å; Q56-Q59 PolarHBondContact O-N 3.42Å |
| 60 | P | 91.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 69.4 Ų | 69.4 | 29% | 0.292 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 150.5 | -179.7 | 31.4 | -35.5 | 0 | 0 | 0 | 110.8 | Q56 F62 P78 | Q56-P60 VanDerWaalsContact O-N 3.09Å; P60-F62 HydrophobicContact CB-CE2 3.72Å; P60-F62 HydrophobicContact CB-CZ 4.1Å; P60-F62 HydrophobicContact CG-CE2 4.06Å; P60-P78 VanDerWaalsContact O-CA 3.28Å; P60-P78 WeakPolarHBondContact O-CA 3.49Å |
| 61 | N | 94.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 67.7 Ų | 67.7 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 126.4 | 173.9 | -172.4 | 22.1 | 0 | 0 | 0 | 110.1 | E54 | E54-N61 HydrophobicContact CG-CB 4.37Å; E54-N61 PolarHBondContact N-O 3.3Å; E54-N61 PolarHBondContact O-N 2.96Å; E54-N61 VanDerWaalsContact O-O 3.09Å |
| 62 | F | 96.7 | Very high | 91.6 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.9 | 178.7 | -60.3 | -87.1 | 0 | 0 | 0 | 109.5 | L50 K52 A53 P60 Q76 G77 K80 A83 | L50-F62 HydrophobicContact CD1-CB 4.5Å; L50-F62 HydrophobicContact CD1-CD1 4.23Å; K52-F62 WeakPolarHBondContact O-CA 3.49Å; A53-F62 HydrophobicContact CB-CD1 3.8Å; A53-F62 HydrophobicContact CB-CE1 3.86Å; P60-F62 HydrophobicContact CB-CE2 3.72Å; P60-F62 HydrophobicContact CB-CZ 4.1Å; P60-F62 HydrophobicContact CG-CE2 4.06Å; F62-Q76 CarbonylContact O-C 3.43Å; F62-Q76 VanDerWaalsContact O-CA 3.24Å; F62-Q76 WeakPolarHBondContact O-CA 3.46Å; F62-G77 PolarHBondContact N-O 3.46Å; F62-G77 PolarHBondContact O-N 2.9Å; F62-K80 HydrophobicContact CD1-CG 3.77Å; F62-K80 HydrophobicContact CE1-CG 3.95Å; F62-K80 HydrophobicContact CG-CG 4.08Å; F62-K80 HydrophobicContact CZ-CG 4.4Å; F62-A83 HydrophobicContact CB-CB 3.97Å; F62-A83 WeakPolarHBondContact O-CB 3.15Å |
| 63 | T | 96.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.6 | 171.7 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | L51 K52 G75 Q76 | L51-T63 HydrophobicContact CB-CG2 4.28Å; L51-T63 HydrophobicContact CD1-CG2 4.39Å; L51-T63 PolarHBondContact N-O 3.16Å; K52-T63 PolarHBondContact N-O 2.82Å; K52-T63 PolarHBondContact O-N 2.92Å; T63-G75 WeakPolarHBondContact CA-O 3.46Å; T63-Q76 HydrophobicContact CG2-CG 3.87Å; T63-Q76 WeakPolarHBondContact OG1-CG 3.35Å; T63-Q76 PolarHBondContact OG1-NE2 2.88Å |
| 64 | F | 97.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 4% | 0.039 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.5 | 172.4 | -92.4 | -92.3 | 0 | 0 | 0 | 110.8 | D49 L50 T74 G75 K80 A83 K84 | D49-F64 CarbonylContact O-C 2.99Å; D49-F64 VanDerWaalsContact O-CA 3.32Å; D49-F64 WeakPolarHBondContact O-CA 3.38Å; D49-F64 VanDerWaalsContact O-CD1 3.24Å; D49-F64 WeakPolarHBondContact O-CD1 3.43Å; L50-F64 HydrophobicContact CB-CD1 4.49Å; L50-F64 HydrophobicContact CB-CE1 3.84Å; L50-F64 HydrophobicContact CB-CE2 4.26Å; L50-F64 HydrophobicContact CB-CZ 3.73Å; L50-F64 HydrophobicContact CD1-CD2 3.9Å; L50-F64 HydrophobicContact CD1-CE2 3.43Å; L50-F64 VanDerWaalsContact CD1-CE2 3.43Å; L50-F64 HydrophobicContact CD1-CZ 3.8Å; L50-F64 HydrophobicContact CG-CE2 4.38Å; L50-F64 HydrophobicContact CG-CZ 4.27Å; F64-T74 CarbonylContact O-C 3Å; F64-T74 VanDerWaalsContact O-CA 3.25Å; F64-T74 WeakPolarHBondContact O-CA 3.45Å; F64-G75 PolarHBondContact N-O 2.93Å; F64-G75 PolarHBondContact O-N 2.81Å; F64-K80 HydrophobicContact CE2-CB 3.83Å; F64-K80 HydrophobicContact CE2-CG 4.02Å; F64-K80 HydrophobicContact CZ-CB 4.33Å; F64-K80 HydrophobicContact CZ-CG 4.5Å; F64-A83 HydrophobicContact CB-CB 4.31Å; F64-A83 HydrophobicContact CD2-CB 3.76Å; F64-A83 HydrophobicContact CG-CB 4.49Å; F64-K84 HydrophobicContact CB-CG 4.17Å; F64-K84 HydrophobicContact CD1-CD 4.27Å; F64-K84 HydrophobicContact CD1-CG 3.61Å; F64-K84 HydrophobicContact CD2-CG 3.96Å; F64-K84 HydrophobicContact CE1-CD 4.17Å; F64-K84 HydrophobicContact CE1-CG 3.95Å; F64-K84 HydrophobicContact CE2-CG 4.23Å; F64-K84 HydrophobicContact CG-CG 3.61Å; F64-K84 HydrophobicContact CZ-CD 4.43Å; F64-K84 VanDerWaalsContact CZ-CE 3.44Å; F64-K84 HydrophobicContact CZ-CG 4.23Å |
| 65 | R | 97 | Very high | 91.9 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.9 | 164.1 | -175.4 | 175.3 | 62.1 | -166 | -0.7 | 109 | Y48 D49 L51 C73 T74 | Y48-R65 CarbonylContact C-O 3.57Å; Y48-R65 VanDerWaalsContact CA-O 3.3Å; Y48-R65 WeakPolarHBondContact CA-O 3.48Å; D49-R65 PolarHBondContact N-O 3.31Å; D49-R65 PolarHBondContact O-N 3Å; D49-R65 IonicContact OD2-CZ 3.69Å; D49-R65 IonicContact OD2-NE 2.82Å; D49-R65 IonicContact OD2-NH2 3.1Å; D49-R65 PolarHBondContact OD2-NH2 3.32Å; L51-R65 HydrophobicContact CD1-CB 3.78Å; L51-R65 HydrophobicContact CD2-CB 4.27Å; L51-R65 HydrophobicContact CG-CB 3.91Å; R65-C73 CarbonylContact C-O 3.08Å; R65-C73 VanDerWaalsContact CA-O 3.31Å; R65-C73 WeakPolarHBondContact CA-O 3.45Å; R65-T74 HydrophobicContact CB-CG2 4.13Å; R65-T74 HydrophobicContact CG-CG2 4.18Å |
| 66 | V | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.8 | 166.7 | 68 | 0 | 0 | 0 | 0 | 109.1 | L35 P46 V47 Y48 V68 S72 C73 A87 A91 | L35-V66 HydrophobicContact CD2-CG1 4.4Å; L35-V66 HydrophobicContact CD2-CG2 3.73Å; P46-V66 HydrophobicContact CB-CG2 3.83Å; V47-V66 CarbonylContact O-C 3.56Å; V47-V66 VanDerWaalsContact O-CA 3.25Å; V47-V66 WeakPolarHBondContact O-CA 3.49Å; Y48-V66 HydrophobicContact CD1-CB 3.84Å; Y48-V66 HydrophobicContact CD1-CG2 3.9Å; Y48-V66 HydrophobicContact CD2-CG2 4.4Å; Y48-V66 HydrophobicContact CE1-CB 3.66Å; Y48-V66 HydrophobicContact CE1-CG2 3.52Å; Y48-V66 HydrophobicContact CE2-CG2 4.06Å; Y48-V66 HydrophobicContact CG-CG2 4.33Å; V66-V68 HydrophobicContact CG2-CG2 4.18Å; V66-S72 CarbonylContact O-C 3.57Å; V66-S72 VanDerWaalsContact O-CA 3.24Å; V66-S72 WeakPolarHBondContact O-CA 3.25Å; V66-C73 HydrophobicContact CG1-CB 4.17Å; V66-C73 PolarHBondContact N-O 3.36Å; V66-C73 PolarHBondContact O-N 2.89Å; V66-A87 HydrophobicContact CB-CB 4.22Å; V66-A87 HydrophobicContact CG1-CB 3.97Å; V66-A87 WeakPolarHBondContact CG1-O 3.24Å; V66-A91 HydrophobicContact CG1-CB 3.63Å |
| 67 | S | 94.7 | Very high | 92.5 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.4 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | P46 V47 I71 | P46-S67 WeakPolarHBondContact CA-O 3.38Å; V47-S67 PolarHBondContact N-O 3.42Å; V47-S67 PolarHBondContact O-N 3.5Å; S67-I71 CarbonylContact C-O 3.46Å; S67-I71 WeakPolarHBondContact CA-O 3.45Å |
| 68 | V | 92.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 90.3 | -179.3 | -170.7 | 0 | 0 | 0 | 0 | 108.7 | L35 I42 K44 P46 V66 E70 I71 L95 | L35-V68 HydrophobicContact CD1-CG2 4Å; L35-V68 HydrophobicContact CD2-CG2 3.93Å; L35-V68 HydrophobicContact CG-CG2 4.07Å; I42-V68 HydrophobicContact CD1-CG1 4.33Å; K44-V68 HydrophobicContact CB-CG1 4.44Å; K44-V68 WeakPolarHBondContact O-CG1 3.24Å; P46-V68 HydrophobicContact CB-CG2 3.74Å; V66-V68 HydrophobicContact CG2-CG2 4.18Å; V68-E70 PolarHBondContact O-N 3.12Å; V68-I71 PolarHBondContact N-O 2.99Å; V68-I71 PolarHBondContact O-N 2.91Å; V68-L95 HydrophobicContact CG1-CD1 4.45Å |
| 69 | G | 87.9 | Confident | 93.5 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -123.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I71 | G69-I71 VanDerWaalsContact C-N 3.34Š|
| 70 | E | 86.5 | Confident | 93.9 | Very high | 167 Ų | 167 | 50.9 Ų | 50.9 | 78% | 0.78 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14.6 | 179.8 | -53 | -51.3 | 137.8 | 0 | 0 | 113.1 | V68 | V68-E70 PolarHBondContact O-N 3.12Š|
| 71 | I | 87.5 | Confident | 94 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.1 | -177 | -63.2 | 162.9 | 0 | 0 | 0 | 107.9 | S67 V68 G69 M94 L95 | S67-I71 CarbonylContact C-O 3.46Å; S67-I71 WeakPolarHBondContact CA-O 3.45Å; V68-I71 PolarHBondContact N-O 2.99Å; V68-I71 PolarHBondContact O-N 2.91Å; G69-I71 VanDerWaalsContact C-N 3.34Å; I71-M94 HydrophobicContact CG2-CB 4.18Å; I71-L95 HydrophobicContact CD1-CD2 3.42Å; I71-L95 VanDerWaalsContact CD1-CD2 3.42Å; I71-L95 HydrophobicContact CD1-CG 4.05Å |
| 72 | S | 93 | Very high | 93.9 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.8 | 167.7 | 70.3 | 0 | 0 | 0 | 0 | 110.2 | V66 | V66-S72 CarbonylContact O-C 3.57Å; V66-S72 VanDerWaalsContact O-CA 3.24Å; V66-S72 WeakPolarHBondContact O-CA 3.25Å |
| 73 | C | 95.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 54 Ų | 54 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 109.6 | R65 V66 A90 A91 | R65-C73 CarbonylContact C-O 3.08Å; R65-C73 VanDerWaalsContact CA-O 3.31Å; R65-C73 WeakPolarHBondContact CA-O 3.45Å; V66-C73 HydrophobicContact CG1-CB 4.17Å; V66-C73 PolarHBondContact N-O 3.36Å; V66-C73 PolarHBondContact O-N 2.89Å; C73-A90 HydrophobicContact CB-CB 3.86Å; C73-A91 HydrophobicContact CB-CB 4.24Å |
| 74 | T | 96 | Very high | 93.9 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 153.5 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | L51 F64 R65 | L51-T74 HydrophobicContact CD1-CG2 3.98Å; F64-T74 CarbonylContact O-C 3Å; F64-T74 VanDerWaalsContact O-CA 3.25Å; F64-T74 WeakPolarHBondContact O-CA 3.45Å; R65-T74 HydrophobicContact CB-CG2 4.13Å; R65-T74 HydrophobicContact CG-CG2 4.18Å |
| 75 | G | 96.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 138.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T63 F64 | T63-G75 WeakPolarHBondContact CA-O 3.46Å; F64-G75 PolarHBondContact N-O 2.93Å; F64-G75 PolarHBondContact O-N 2.81Å |
| 76 | Q | 95.9 | Very high | 93.7 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 150.5 | -179 | -64.1 | -173.9 | -35.1 | 0 | 0 | 111.3 | F62 T63 K86 | F62-Q76 CarbonylContact O-C 3.43Å; F62-Q76 VanDerWaalsContact O-CA 3.24Å; F62-Q76 WeakPolarHBondContact O-CA 3.46Å; T63-Q76 HydrophobicContact CG2-CG 3.87Å; T63-Q76 WeakPolarHBondContact OG1-CG 3.35Å; T63-Q76 PolarHBondContact OG1-NE2 2.88Å; Q76-K86 VanDerWaalsContact O-CD 3.26Å; Q76-K86 WeakPolarHBondContact O-CD 3.25Å |
| 77 | G | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 9% | 0.093 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 170.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F62 S79 | F62-G77 PolarHBondContact N-O 3.46Å; F62-G77 PolarHBondContact O-N 2.9Å; G77-S79 PolarHBondContact O-N 2.86Å; G77-S79 VanDerWaalsContact O-N 3.09Å |
| 78 | P | 92.7 | Very high | 93.7 | Very high | 93 Ų | 93 | 59.8 Ų | 59.8 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.9 | -2.1 | -173.2 | 30.5 | -37 | 0 | 0 | 0 | 114.1 | P60 | P60-P78 VanDerWaalsContact O-CA 3.28Å; P60-P78 WeakPolarHBondContact O-CA 3.49Å |
| 79 | S | 93.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 34% | 0.343 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -146.4 | 155.2 | 174.3 | 67.1 | 0 | 0 | 0 | 0 | 109.9 | G77 K81 A82 A83 | G77-S79 PolarHBondContact O-N 2.86Å; G77-S79 VanDerWaalsContact O-N 3.09Å; S79-K81 PolarHBondContact O-N 2.83Å; S79-K81 VanDerWaalsContact O-N 3.14Å; S79-A82 PolarHBondContact O-N 3.05Å; S79-A82 VanDerWaalsContact O-N 3.07Å; S79-A82 WeakPolarHBondContact OG-CB 3.46Å; S79-A82 PolarHBondContact OG-N 3.36Å; S79-A82 VanDerWaalsContact OG-N 3.13Å; S79-A83 WeakPolarHBondContact O-CB 3.32Å; S79-A83 PolarHBondContact O-N 3.45Å |
| 80 | K | 94.2 | Very high | 94 | Very high | 118 Ų | 118 | 64.6 Ų | 64.6 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -52 | -37.8 | 174.2 | -61.8 | -175.6 | 179.8 | 178.9 | 0 | 112.1 | F62 F64 K84 | F62-K80 HydrophobicContact CD1-CG 3.77Å; F62-K80 HydrophobicContact CE1-CG 3.95Å; F62-K80 HydrophobicContact CG-CG 4.08Å; F62-K80 HydrophobicContact CZ-CG 4.4Å; F64-K80 HydrophobicContact CE2-CB 3.83Å; F64-K80 HydrophobicContact CE2-CG 4.02Å; F64-K80 HydrophobicContact CZ-CB 4.33Å; F64-K80 HydrophobicContact CZ-CG 4.5Å; K80-K84 WeakPolarHBondContact O-CB 3.31Å; K80-K84 VanDerWaalsContact O-CG 3.31Å; K80-K84 WeakPolarHBondContact O-CG 3.21Å; K80-K84 PolarHBondContact O-N 2.93Å; K80-K84 VanDerWaalsContact O-N 3.09Å |
| 81 | K | 93.7 | Very high | 94.3 | Very high | 158 Ų | 158 | 56.7 Ų | 56.7 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -68.5 | -45 | 178 | -173.7 | -179.9 | 177.8 | -175.7 | 0 | 112.1 | S79 H85 | S79-K81 PolarHBondContact O-N 2.83Å; S79-K81 VanDerWaalsContact O-N 3.14Å; K81-H85 WeakPolarHBondContact O-CB 3.43Å; K81-H85 PolarHBondContact O-N 3.26Å |
| 82 | A | 92.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S79 H85 K86 | S79-A82 PolarHBondContact O-N 3.05Å; S79-A82 VanDerWaalsContact O-N 3.07Å; S79-A82 WeakPolarHBondContact OG-CB 3.46Å; S79-A82 PolarHBondContact OG-N 3.36Å; S79-A82 VanDerWaalsContact OG-N 3.13Å; A82-H85 WeakPolarHBondContact O-CB 3.45Å; A82-H85 PolarHBondContact O-N 2.94Å; A82-K86 PolarHBondContact O-N 3.24Å |
| 83 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F62 F64 S79 H85 K86 A87 | F62-A83 HydrophobicContact CB-CB 3.97Å; F62-A83 WeakPolarHBondContact O-CB 3.15Å; F64-A83 HydrophobicContact CB-CB 4.31Å; F64-A83 HydrophobicContact CD2-CB 3.76Å; F64-A83 HydrophobicContact CG-CB 4.49Å; S79-A83 WeakPolarHBondContact O-CB 3.32Å; S79-A83 PolarHBondContact O-N 3.45Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-H85 PolarHBondContact O-N 3.49Å; A83-K86 PolarHBondContact O-N 2.98Å; A83-A87 WeakPolarHBondContact O-CB 3.31Å; A83-A87 PolarHBondContact O-N 3.41Å |
| 84 | K | 96 | Very high | 93.8 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 173.7 | -75.2 | -174.3 | -179.9 | -167.3 | 0 | 112.6 | I32 Y48 F64 K80 A87 A88 | I32-K84 HydrophobicContact CD1-CB 3.95Å; Y48-K84 HydrophobicContact CD1-CB 4.14Å; Y48-K84 HydrophobicContact CD1-CD 4.24Å; Y48-K84 HydrophobicContact CD1-CG 3.85Å; Y48-K84 HydrophobicContact CE1-CB 4.15Å; Y48-K84 HydrophobicContact CE1-CG 4.37Å; Y48-K84 HydrophobicContact CG-CD 4.33Å; Y48-K84 HydrophobicContact CG-CG 4.4Å; F64-K84 HydrophobicContact CB-CG 4.17Å; F64-K84 HydrophobicContact CD1-CD 4.27Å; F64-K84 HydrophobicContact CD1-CG 3.61Å; F64-K84 HydrophobicContact CD2-CG 3.96Å; F64-K84 HydrophobicContact CE1-CD 4.17Å; F64-K84 HydrophobicContact CE1-CG 3.95Å; F64-K84 HydrophobicContact CE2-CG 4.23Å; F64-K84 HydrophobicContact CG-CG 3.61Å; F64-K84 HydrophobicContact CZ-CD 4.43Å; F64-K84 VanDerWaalsContact CZ-CE 3.44Å; F64-K84 HydrophobicContact CZ-CG 4.23Å; K80-K84 WeakPolarHBondContact O-CB 3.31Å; K80-K84 VanDerWaalsContact O-CG 3.31Å; K80-K84 WeakPolarHBondContact O-CG 3.21Å; K80-K84 PolarHBondContact O-N 2.93Å; K80-K84 VanDerWaalsContact O-N 3.09Å; K84-A87 PolarHBondContact O-N 2.79Å; K84-A88 WeakPolarHBondContact O-CB 3.32Å; K84-A88 PolarHBondContact O-N 2.87Å |
| 85 | H | 95.4 | Very high | 93.2 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.319 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 178.1 | -172.8 | 114.9 | 0 | 0 | 0 | 111.1 | P31 I32 K81 A82 A83 A87 A88 E89 | P31-H85 WeakPolarHBondContact CD-CE1 3.47Å; P31-H85 WeakPolarHBondContact CD-NE2 3.31Å; P31-H85 WeakPolarHBondContact CG-NE2 3.33Å; I32-H85 HydrophobicContact CD1-CB 4.16Å; I32-H85 HydrophobicContact CG1-CB 4.44Å; K81-H85 WeakPolarHBondContact O-CB 3.43Å; K81-H85 PolarHBondContact O-N 3.26Å; A82-H85 WeakPolarHBondContact O-CB 3.45Å; A82-H85 PolarHBondContact O-N 2.94Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-H85 PolarHBondContact O-N 3.49Å; H85-A87 PolarHBondContact O-N 3.05Å; H85-A88 PolarHBondContact O-N 2.86Å; H85-E89 WeakPolarHBondContact O-CB 3.49Å; H85-E89 PolarHBondContact O-N 3.39Å |
| 86 | K | 95.6 | Very high | 92.5 | Very high | 121 Ų | 121 | 66.3 Ų | 66.3 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 178.5 | -160.2 | 172.5 | -168.4 | 178.8 | 0 | 112.3 | Q76 A82 A83 E89 A90 | Q76-K86 VanDerWaalsContact O-CD 3.26Å; Q76-K86 WeakPolarHBondContact O-CD 3.25Å; A82-K86 PolarHBondContact O-N 3.24Å; A83-K86 PolarHBondContact O-N 2.98Å; K86-E89 PolarHBondContact O-N 2.87Å; K86-A90 PolarHBondContact O-N 2.87Å |
| 87 | A | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V66 A83 K84 H85 A90 A91 | V66-A87 HydrophobicContact CB-CB 4.22Å; V66-A87 HydrophobicContact CG1-CB 3.97Å; V66-A87 WeakPolarHBondContact CG1-O 3.24Å; A83-A87 WeakPolarHBondContact O-CB 3.31Å; A83-A87 PolarHBondContact O-N 3.41Å; K84-A87 PolarHBondContact O-N 2.79Å; H85-A87 PolarHBondContact O-N 3.05Å; A87-A90 PolarHBondContact O-N 2.87Å; A87-A91 PolarHBondContact O-N 3.2Å |
| 88 | A | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P31 I32 L35 Y48 K84 H85 A91 L92 | P31-A88 HydrophobicContact CB-CB 4.12Å; I32-A88 HydrophobicContact CG1-CB 3.97Å; L35-A88 HydrophobicContact CD2-CB 3.94Å; Y48-A88 HydrophobicContact CE1-CB 4.33Å; Y48-A88 VanDerWaalsContact OH-CB 3.31Å; Y48-A88 WeakPolarHBondContact OH-CB 3.3Å; K84-A88 WeakPolarHBondContact O-CB 3.32Å; K84-A88 PolarHBondContact O-N 2.87Å; H85-A88 PolarHBondContact O-N 2.86Å; A88-A91 PolarHBondContact O-N 2.84Å; A88-L92 WeakPolarHBondContact O-CG 3.33Å; A88-L92 PolarHBondContact O-N 3.06Å |
| 89 | E | 93 | Very high | 87.1 | Confident | 110 Ų | 110 | 71.3 Ų | 71.3 | 51% | 0.514 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175 | -177.6 | 179.4 | -161.9 | 0 | 0 | 111.8 | P31 H85 K86 A91 L92 K93 | P31-E89 HydrophobicContact CB-CB 4.22Å; P31-E89 HydrophobicContact CG-CB 4.38Å; H85-E89 WeakPolarHBondContact O-CB 3.49Å; H85-E89 PolarHBondContact O-N 3.39Å; K86-E89 PolarHBondContact O-N 2.87Å; E89-A91 VanDerWaalsContact C-N 3.35Å; E89-A91 PolarHBondContact O-N 3.48Å; E89-L92 PolarHBondContact O-N 2.81Å; E89-K93 PolarHBondContact O-N 3.1Å |
| 90 | A | 93.6 | Very high | 84.3 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 31% | 0.306 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C73 K86 A87 K93 M94 | C73-A90 HydrophobicContact CB-CB 3.86Å; K86-A90 PolarHBondContact O-N 2.87Å; A87-A90 PolarHBondContact O-N 2.87Å; A90-K93 PolarHBondContact O-N 2.97Å; A90-M94 WeakPolarHBondContact O-CG 3.47Å; A90-M94 PolarHBondContact O-N 3.34Å; A90-M94 VanDerWaalsContact O-N 3.07Å |
| 91 | A | 92.9 | Very high | 81.3 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.008 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L35 V66 C73 A87 A88 E89 K93 M94 L95 | L35-A91 HydrophobicContact CD1-CB 4.21Å; L35-A91 HydrophobicContact CD2-CB 3.83Å; V66-A91 HydrophobicContact CG1-CB 3.63Å; C73-A91 HydrophobicContact CB-CB 4.24Å; A87-A91 PolarHBondContact O-N 3.2Å; A88-A91 PolarHBondContact O-N 2.84Å; E89-A91 VanDerWaalsContact C-N 3.35Å; E89-A91 PolarHBondContact O-N 3.48Å; A91-K93 VanDerWaalsContact C-N 3.3Å; A91-K93 PolarHBondContact O-N 3.46Å; A91-M94 PolarHBondContact O-N 2.97Å; A91-L95 WeakPolarHBondContact O-CB 2.96Å; A91-L95 WeakPolarHBondContact O-CD1 3.42Å; A91-L95 VanDerWaalsContact O-CG 3.25Å; A91-L95 WeakPolarHBondContact O-CG 3.28Å; A91-L95 PolarHBondContact O-N 2.72Å |
| 92 | L | 89.7 | Confident | 79.1 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.063 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 175.1 | -74.3 | 173.9 | 0 | 0 | 0 | 111.9 | I19 L23 P31 L34 L35 A88 E89 L95 K96 | I19-L92 HydrophobicContact CD1-CD2 4Å; L23-L92 HydrophobicContact CD2-CD1 4.2Å; L23-L92 HydrophobicContact CD2-CD2 4.5Å; P31-L92 HydrophobicContact CB-CD1 3.94Å; P31-L92 WeakPolarHBondContact O-CD1 3.26Å; L34-L92 HydrophobicContact CB-CD1 4.02Å; L35-L92 HydrophobicContact CB-CD1 4.46Å; L35-L92 HydrophobicContact CB-CD2 4.06Å; L35-L92 HydrophobicContact CB-CG 4.12Å; L35-L92 HydrophobicContact CD1-CD2 3.65Å; L35-L92 HydrophobicContact CD1-CG 3.96Å; L35-L92 HydrophobicContact CG-CD2 4.48Å; A88-L92 WeakPolarHBondContact O-CG 3.33Å; A88-L92 PolarHBondContact O-N 3.06Å; E89-L92 PolarHBondContact O-N 2.81Å; L92-L95 PolarHBondContact O-N 2.94Å; L92-K96 WeakPolarHBondContact O-CG 3.15Å; L92-K96 PolarHBondContact O-N 3.13Å |
| 93 | K | 89.1 | Confident | 76.7 | Confident | 163 Ų | 163 | 73.8 Ų | 73.8 | 71% | 0.709 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 176.6 | -172 | 177.2 | 178.6 | -178.8 | 0 | 111.8 | E89 A90 A91 L95 K96 G97 | E89-K93 PolarHBondContact O-N 3.1Å; A90-K93 PolarHBondContact O-N 2.97Å; A91-K93 VanDerWaalsContact C-N 3.3Å; A91-K93 PolarHBondContact O-N 3.46Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-K96 PolarHBondContact O-N 3.07Å; K93-G97 PolarHBondContact O-N 2.85Å |
| 94 | M | 87.5 | Confident | 73.6 | Confident | 119 Ų | 119 | 77.3 Ų | 77.3 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 175.3 | -67.5 | -63.1 | -71.3 | 0 | 0 | 112 | I71 A90 A91 G97 | I71-M94 HydrophobicContact CG2-CB 4.18Å; A90-M94 WeakPolarHBondContact O-CG 3.47Å; A90-M94 PolarHBondContact O-N 3.34Å; A90-M94 VanDerWaalsContact O-N 3.07Å; A91-M94 PolarHBondContact O-N 2.97Å; M94-G97 PolarHBondContact O-N 2.8Å |
| 95 | L | 84 | Confident | 71 | Confident | 26 Ų | 26 | 80.4 Ų | 80.4 | 14% | 0.136 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -71 | -30.3 | 178.4 | -71.8 | 165.4 | 0 | 0 | 0 | 113.4 | I19 L35 Y38 V68 I71 A91 L92 K93 G97 | I19-L95 HydrophobicContact CD1-CB 3.37Å; I19-L95 HydrophobicContact CD1-CD1 4.2Å; I19-L95 HydrophobicContact CD1-CG 4.4Å; L35-L95 HydrophobicContact CD1-CD1 3.54Å; Y38-L95 HydrophobicContact CD1-CD1 3.91Å; Y38-L95 HydrophobicContact CE1-CD1 3.71Å; Y38-L95 HydrophobicContact CE1-CD2 3.86Å; Y38-L95 HydrophobicContact CE1-CG 4.28Å; V68-L95 HydrophobicContact CG1-CD1 4.45Å; I71-L95 HydrophobicContact CD1-CD2 3.42Å; I71-L95 VanDerWaalsContact CD1-CD2 3.42Å; I71-L95 HydrophobicContact CD1-CG 4.05Å; A91-L95 WeakPolarHBondContact O-CB 2.96Å; A91-L95 WeakPolarHBondContact O-CD1 3.42Å; A91-L95 VanDerWaalsContact O-CG 3.25Å; A91-L95 WeakPolarHBondContact O-CG 3.28Å; A91-L95 PolarHBondContact O-N 2.72Å; L92-L95 PolarHBondContact O-N 2.94Å; K93-L95 VanDerWaalsContact C-N 3.34Å; L95-G97 VanDerWaalsContact C-N 3.34Å |
| 96 | K | 80.3 | Confident | 68 | Low | 102 Ų | 102 | 81.9 Ų | 81.9 | 44% | 0.443 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.4 | -33 | 170.7 | -71 | -168.2 | -141.1 | -145.3 | 0 | 112.7 | I19 L23 L92 K93 G98 | I19-K96 HydrophobicContact CG2-CB 4.42Å; I19-K96 HydrophobicContact CG2-CG 4.03Å; L23-K96 HydrophobicContact CD1-CD 3.86Å; L23-K96 HydrophobicContact CD1-CG 3.93Å; L23-K96 VanDerWaalsContact CD1-NZ 3.26Å; L92-K96 WeakPolarHBondContact O-CG 3.15Å; L92-K96 PolarHBondContact O-N 3.13Å; K93-K96 PolarHBondContact O-N 3.07Å; K96-G98 PolarHBondContact O-N 3.09Å; K96-G98 VanDerWaalsContact O-N 3.13Å |
| 97 | G | 68.3 | Low | 65 | Low | 66 Ų | 66 | 84 Ų | 84 | 68% | 0.68 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -4.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K93 M94 L95 | K93-G97 PolarHBondContact O-N 2.85Å; M94-G97 PolarHBondContact O-N 2.8Å; L95-G97 VanDerWaalsContact C-N 3.34Å |
| 98 | G | 51.7 | Low | 61.8 | Low | 51 Ų | 51 | 87.3 Ų | 87.3 | 53% | 0.526 | 58% | 0.579 | S | S | . | * | trans | 74.8 | 138 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K96 G100 | K96-G98 PolarHBondContact O-N 3.09Å; K96-G98 VanDerWaalsContact O-N 3.13Å; G98-G100 PolarHBondContact O-N 2.88Å; G98-G100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | L | 49.8 | Very low | 58.7 | Low | 188 Ų | 188 | 96 Ų | 96 | 98% | 0.984 | 62% | 0.62 | S | S | * | * | trans | -53.1 | 112.9 | 170 | -79 | 147.8 | 0 | 0 | 0 | 110.6 | ||||
| 100 | G | 36.6 | Very low | 55.7 | Low | 76 Ų | 76 | 98.2 Ų | 98.2 | 78% | 0.784 | 64% | 0.635 | S | S | * | * | trans | -149.7 | 74.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G98 | G98-G100 PolarHBondContact O-N 2.88Å; G98-G100 VanDerWaalsContact O-N 3.1Å | ||
| 101 | G | 31 | Very low | 52.4 | Low | 77 Ų | 77 | 100 Ų | 100 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | trans | 99.9 | 151.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 102 | P | 46.1 | Very low | 49.4 | Very low | 123 Ų | 123 | 109.3 Ų | 109.3 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | trans | -99.3 | 157.1 | -146.3 | 36.6 | -30.1 | 0 | 0 | 0 | 115.8 | ||||
| 103 | V | 41.8 | Very low | 46.3 | Very low | 137 Ų | 137 | 115.4 Ų | 115.4 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | trans | 31.6 | 113 | 146.7 | -167.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 104 | G | 32.8 | Very low | 43.3 | Very low | 74 Ų | 74 | 115.9 Ų | 115.9 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | -166.4 | 92.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 105 | V | 40.8 | Very low | 40.5 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -56.3 | 130.4 | 166.5 | -159.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 106 | A | 32 | Very low | 37.7 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -143 | 96.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 107 | L | 33.3 | Very low | 35.1 | Very low | 165 Ų | 165 | 124 Ų | 124 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -77 | 134.5 | 151.5 | -82.4 | 150.1 | 0 | 0 | 0 | 107.8 | ||||
| 108 | G | 28.8 | Very low | 33.2 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 87 | 115.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 109 | E | 30 | Very low | 32.1 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | 73.4 | 132.9 | 137.8 | -79 | 174.8 | 123.6 | 0 | 0 | 124 | ||||
| 110 | D | 29.4 | Very low | 31 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | 57.4 | 126.4 | 154.8 | -70.1 | -39.1 | 0 | 0 | 0 | 122.2 | ||||
| 111 | G | 24.9 | Very low | 30.5 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | 140.8 | 99.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 112 | F | 29.1 | Very low | 30.1 | Very low | 197 Ų | 197 | 130.2 Ų | 130.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -22.1 | 137 | 160.5 | -91.9 | -111.3 | 0 | 0 | 0 | 116.5 | ||||
| 113 | T | 24.8 | Very low | 29.2 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -159.3 | 119.3 | 132.6 | 16.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 114 | E | 27 | Very low | 28.8 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -58.4 | 140.2 | 167 | -70.7 | 169.2 | 118.2 | 0 | 0 | 110.9 | ||||
| 115 | V | 27.8 | Very low | 28.6 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -145.4 | 110.3 | 142.2 | -96.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 116 | D | 24.3 | Very low | 28 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | trans | -52.7 | 129.4 | 165.7 | 167 | 56.2 | 0 | 0 | 0 | 112.4 | S118 | D116-S118 PolarHBondContact OD1-OG 3.3Å; D116-S118 VanDerWaalsContact OD1-OG 3.08Å | ||
| 117 | V | 26.7 | Very low | 27.9 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -143.7 | 103.3 | 146.7 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 118 | S | 27.6 | Very low | 27.7 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 131.3 | 168.5 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | D116 | D116-S118 PolarHBondContact OD1-OG 3.3Å; D116-S118 VanDerWaalsContact OD1-OG 3.08Å | ||
| 119 | V | 29.9 | Very low | 27.8 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 121.9 | 141.1 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 120 | D | 26.1 | Very low | 27.7 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -77.9 | 165.9 | -175.5 | -113.7 | -81.5 | 0 | 0 | 0 | 116.2 | ||||
| 121 | G | 26.3 | Very low | 27.9 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 129.7 | 67.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 122 | D | 23.1 | Very low | 28.1 | Very low | 129 Ų | 129 | 141 Ų | 141 | 69% | 0.69 | 80% | 0.8 | S | S | * | * | 73.5 | 112.3 | 79.1 | -169.9 | 42 | 0 | 0 | 0 | 116.5 | |||||
| 123 | S | 27.3 | Very low | 28.3 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | -179 | 95.5 | 124.2 | -90.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 124 | S | 32.7 | Very low | 28.6 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | 58.9 | 107.1 | 128 | -36.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 125 | Q | 28.8 | Very low | 29.1 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -5.5 | 141.7 | 140.8 | -67.5 | 172 | 5.3 | 0 | 0 | 120.4 | ||||
| 126 | S | 28.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | -149 | 108.1 | 122 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 127 | E | 28.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | trans | -75.4 | 139 | 166.4 | -63.8 | -175.6 | 107.9 | 0 | 0 | 110 | ||||
| 128 | M | 30.1 | Very low | 31.1 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 93% | 0.931 | 79% | 0.786 | S | S | * | * | trans | -136.2 | 108.1 | 148.9 | -137.5 | 173.2 | -165.6 | 0 | 0 | 108.6 | ||||
| 129 | K | 31.7 | Very low | 32.8 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -65.8 | 124.7 | 171.6 | -77.1 | 171.8 | 173.3 | 172.3 | 0 | 109.3 | ||||
| 130 | T | 27.7 | Very low | 35.7 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -123.2 | 114.2 | 149.5 | 31.9 | 0 | 0 | 0 | 0 | 108.6 | N132 | T130-N132 PolarHBondContact O-N 2.81Š| ||
| 131 | S | 32 | Very low | 38.8 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -54.3 | 121.5 | 170.9 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 132 | N | 29 | Very low | 42.1 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | -151.5 | 116.5 | 141.7 | -115.2 | 8.8 | 0 | 0 | 0 | 111.3 | T130 S134 | T130-N132 PolarHBondContact O-N 2.81Å; N132-S134 PolarHBondContact O-N 3.28Å | ||
| 133 | S | 34.5 | Very low | 45.5 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | trans | -72.9 | 109.5 | 177.4 | 48.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 134 | S | 31.8 | Very low | 48.7 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | trans | -177.8 | 73.6 | 147.2 | -74.4 | 0 | 0 | 0 | 0 | 109.7 | N132 | N132-S134 PolarHBondContact O-N 3.28Š| ||
| 135 | Q | 37.5 | Very low | 51.6 | Low | 183 Ų | 183 | 113.6 Ų | 113.6 | 86% | 0.855 | 64% | 0.638 | S | S | * | * | trans | 32.2 | 100.7 | 134.6 | -61.6 | 177.5 | -14 | 0 | 0 | 117.8 | S137 | Q135-S137 VanDerWaalsContact C-N 3.34Å; Q135-S137 PolarHBondContact O-N 2.79Å | ||
| 136 | Q | 36.1 | Very low | 54.8 | Low | 181 Ų | 181 | 109.7 Ų | 109.7 | 85% | 0.846 | 62% | 0.62 | S | S | * | * | trans | 40.4 | 45.1 | 131.6 | -78.8 | 175.8 | -8.6 | 0 | 0 | 118.3 | E138 | Q136-E138 VanDerWaalsContact C-N 3.25Å; Q136-E138 PolarHBondContact O-N 2.86Å | ||
| 137 | S | 37.1 | Very low | 57.9 | Low | 114 Ų | 114 | 110.7 Ų | 110.7 | 80% | 0.797 | 61% | 0.611 | S | S | * | * | trans | -76.3 | 85.6 | 158.1 | 39.9 | 0 | 0 | 0 | 0 | 108.4 | Q135 C139 | Q135-S137 VanDerWaalsContact C-N 3.34Å; Q135-S137 PolarHBondContact O-N 2.79Å; S137-C139 PolarHBondContact O-N 2.77Å | ||
| 138 | E | 47.6 | Very low | 60.8 | Low | 139 Ų | 139 | 105.5 Ų | 105.5 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | trans | -44.4 | 100.3 | -179.2 | -69 | -175.6 | 149.6 | 0 | 0 | 113.7 | Q136 N140 | Q136-E138 VanDerWaalsContact C-N 3.25Å; Q136-E138 PolarHBondContact O-N 2.86Å; E138-N140 VanDerWaalsContact C-N 3.27Å; E138-N140 PolarHBondContact O-N 3.41Å | ||
| 139 | C | 63.5 | Low | 63.8 | Low | 119 Ų | 119 | 96.5 Ų | 96.5 | 80% | 0.804 | 54% | 0.544 | S | S | * | . | trans | 37.6 | 28 | 141.3 | 81 | 0 | 0 | 0 | 0 | 120.3 | S137 P141 | S137-C139 PolarHBondContact O-N 2.77Å; C139-P141 WeakPolarHBondContact O-CD 3.48Å | ||
| 140 | N | 89.1 | Confident | 66.7 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | trans | -77.4 | 100.1 | 172.3 | 179.3 | 18.6 | 0 | 0 | 0 | 109.5 | E138 V142 G143 A144 | E138-N140 VanDerWaalsContact C-N 3.27Å; E138-N140 PolarHBondContact O-N 3.41Å; N140-V142 PolarHBondContact O-N 2.99Å; N140-V142 VanDerWaalsContact O-N 3.11Å; N140-V142 WeakPolarHBondContact OD1-CB 3.25Å; N140-V142 PolarHBondContact OD1-N 3.44Å; N140-G143 PolarHBondContact ND2-N 3.48Å; N140-G143 PolarHBondContact O-N 3.31Å; N140-A144 PolarHBondContact O-N 2.98Å | ||
| 141 | P | 92.3 | Very high | 69.6 | Low | 17 Ų | 17 | 93.7 Ų | 93.7 | 11% | 0.11 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -64.9 | -23.3 | -175.9 | 30.9 | -38.4 | 0 | 0 | 0 | 111.9 | C139 L145 R196 A199 A200 L203 | C139-P141 WeakPolarHBondContact O-CD 3.48Å; P141-L145 WeakPolarHBondContact O-CB 3.5Å; P141-L145 PolarHBondContact O-N 2.85Å; P141-R196 HydrophobicContact CG-CB 4.36Å; P141-R196 HydrophobicContact CG-CG 3.26Å; P141-R196 VanDerWaalsContact CG-O 3.26Å; P141-R196 WeakPolarHBondContact CG-O 3.41Å; P141-A199 HydrophobicContact CB-CB 4.26Å; P141-A199 HydrophobicContact CG-CB 4.49Å; P141-A200 HydrophobicContact CB-CB 3.86Å; P141-A200 HydrophobicContact CG-CB 4.11Å; P141-L203 HydrophobicContact CB-CD1 3.79Å; P141-L203 WeakPolarHBondContact O-CD1 3.34Å |
| 142 | V | 95.5 | Very high | 72.1 | Confident | 28 Ų | 28 | 92.5 Ų | 92.5 | 17% | 0.17 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 175.7 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | N140 Q146 Y159 K195 R196 A199 | N140-V142 PolarHBondContact O-N 2.99Å; N140-V142 VanDerWaalsContact O-N 3.11Å; N140-V142 WeakPolarHBondContact OD1-CB 3.25Å; N140-V142 PolarHBondContact OD1-N 3.44Å; V142-Q146 WeakPolarHBondContact O-CB 3.35Å; V142-Q146 PolarHBondContact O-N 3.3Å; V142-Q146 VanDerWaalsContact O-N 3.07Å; V142-Y159 HydrophobicContact CG1-CE2 4.43Å; V142-K195 HydrophobicContact CG1-CD 4.43Å; V142-K195 HydrophobicContact CG2-CG 4.15Å; V142-R196 HydrophobicContact CG2-CB 4.42Å; V142-A199 HydrophobicContact CB-CB 4.35Å; V142-A199 HydrophobicContact CG2-CB 3.86Å |
| 143 | G | 94.7 | Very high | 74.9 | Confident | 18 Ų | 18 | 86.6 Ų | 86.6 | 19% | 0.186 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.5 | -47.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N140 L145 Q146 E147 | N140-G143 PolarHBondContact ND2-N 3.48Å; N140-G143 PolarHBondContact O-N 3.31Å; G143-L145 VanDerWaalsContact C-N 3.28Å; G143-L145 PolarHBondContact O-N 3.18Å; G143-Q146 WeakPolarHBondContact O-CB 3.47Å; G143-Q146 PolarHBondContact O-N 3.09Å; G143-E147 WeakPolarHBondContact O-CG 3.08Å; G143-E147 PolarHBondContact O-N 3Å |
| 144 | A | 93.9 | Very high | 77.6 | Confident | 43 Ų | 43 | 84.7 Ų | 84.7 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N140 L148 L203 | N140-A144 PolarHBondContact O-N 2.98Å; A144-L148 VanDerWaalsContact O-CB 3.28Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 PolarHBondContact O-N 2.88Å; A144-L203 HydrophobicContact CB-CD1 3.94Å |
| 145 | L | 94.7 | Very high | 80.4 | Confident | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 173.6 | -178.8 | 61.7 | 0 | 0 | 0 | 111.6 | P141 G143 L148 V149 P157 V179 A199 M202 L203 I206 | P141-L145 WeakPolarHBondContact O-CB 3.5Å; P141-L145 PolarHBondContact O-N 2.85Å; G143-L145 VanDerWaalsContact C-N 3.28Å; G143-L145 PolarHBondContact O-N 3.18Å; L145-L148 PolarHBondContact O-N 3.13Å; L145-V149 HydrophobicContact CD1-CG2 4.03Å; L145-V149 HydrophobicContact CG-CG2 4.33Å; L145-V149 WeakPolarHBondContact O-CB 3.47Å; L145-V149 WeakPolarHBondContact O-CG2 3.36Å; L145-V149 PolarHBondContact O-N 3.14Å; L145-P157 HydrophobicContact CD2-CB 4.27Å; L145-P157 HydrophobicContact CD2-CG 4.16Å; L145-P157 HydrophobicContact CG-CG 4.02Å; L145-V179 HydrophobicContact CD1-CG2 4.44Å; L145-V179 HydrophobicContact CD2-CG2 4.24Å; L145-A199 HydrophobicContact CB-CB 4.46Å; L145-A199 HydrophobicContact CD2-CB 3.95Å; L145-M202 HydrophobicContact CD1-CB 4.28Å; L145-M202 HydrophobicContact CD1-CG 3.69Å; L145-M202 HydrophobicContact CD2-CB 3.83Å; L145-M202 HydrophobicContact CD2-CG 3.69Å; L145-M202 HydrophobicContact CG-CG 4.36Å; L145-L203 HydrophobicContact CB-CD1 4.34Å; L145-L203 HydrophobicContact CB-CD2 3.98Å; L145-L203 HydrophobicContact CB-CG 3.92Å; L145-L203 HydrophobicContact CD1-CD2 3.95Å; L145-L203 HydrophobicContact CD1-CG 4.14Å; L145-I206 HydrophobicContact CD1-CD1 3.58Å |
| 146 | Q | 95 | Very high | 83.1 | Confident | 98 Ų | 98 | 83 Ų | 83 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 178.6 | -178.8 | 171.3 | -19.6 | 0 | 0 | 111.5 | V142 G143 V149 V150 L156 | V142-Q146 WeakPolarHBondContact O-CB 3.35Å; V142-Q146 PolarHBondContact O-N 3.3Å; V142-Q146 VanDerWaalsContact O-N 3.07Å; G143-Q146 WeakPolarHBondContact O-CB 3.47Å; G143-Q146 PolarHBondContact O-N 3.09Å; Q146-V149 PolarHBondContact O-N 2.94Å; Q146-V150 WeakPolarHBondContact O-CB 3.23Å; Q146-V150 VanDerWaalsContact O-CG2 3.26Å; Q146-V150 WeakPolarHBondContact O-CG2 3.42Å; Q146-V150 PolarHBondContact O-N 2.89Å; Q146-L156 HydrophobicContact CG-CD2 4.22Å |
| 147 | E | 93.5 | Very high | 86 | Confident | 143 Ų | 143 | 75.4 Ų | 75.4 | 67% | 0.668 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 175.2 | -72.1 | 171.5 | -166.4 | 0 | 0 | 111.6 | G143 V149 V150 Q151 | G143-E147 WeakPolarHBondContact O-CG 3.08Å; G143-E147 PolarHBondContact O-N 3Å; E147-V149 VanDerWaalsContact C-N 3.33Å; E147-V149 PolarHBondContact O-N 3.05Å; E147-V150 PolarHBondContact O-N 2.78Å; E147-Q151 VanDerWaalsContact O-CB 3.27Å; E147-Q151 WeakPolarHBondContact O-CB 3.28Å; E147-Q151 PolarHBondContact O-N 2.98Å |
| 148 | L | 90 | Very high | 88.8 | Confident | 48 Ų | 48 | 75.3 Ų | 75.3 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 177.6 | -179.8 | 66.1 | 0 | 0 | 0 | 112.3 | A144 L145 Q151 K152 L203 I206 | A144-L148 VanDerWaalsContact O-CB 3.28Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 PolarHBondContact O-N 2.88Å; L145-L148 PolarHBondContact O-N 3.13Å; L148-Q151 PolarHBondContact O-N 3Å; L148-K152 HydrophobicContact CD1-CD 4.33Å; L148-K152 HydrophobicContact CG-CD 4.36Å; L148-K152 WeakPolarHBondContact O-CB 3.24Å; L148-K152 WeakPolarHBondContact O-CG 3.41Å; L148-K152 PolarHBondContact O-N 2.85Å; L148-L203 HydrophobicContact CB-CD2 4.4Å; L148-L203 HydrophobicContact CD2-CD2 3.67Å; L148-I206 HydrophobicContact CD2-CB 4.3Å; L148-I206 HydrophobicContact CD2-CG2 3.73Å |
| 149 | V | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 179.6 | 166.5 | 0 | 0 | 0 | 0 | 110.8 | L145 Q146 E147 K152 G153 W154 R155 P157 V179 | L145-V149 HydrophobicContact CD1-CG2 4.03Å; L145-V149 HydrophobicContact CG-CG2 4.33Å; L145-V149 WeakPolarHBondContact O-CB 3.47Å; L145-V149 WeakPolarHBondContact O-CG2 3.36Å; L145-V149 PolarHBondContact O-N 3.14Å; Q146-V149 PolarHBondContact O-N 2.94Å; E147-V149 VanDerWaalsContact C-N 3.33Å; E147-V149 PolarHBondContact O-N 3.05Å; V149-K152 PolarHBondContact O-N 3.45Å; V149-G153 PolarHBondContact O-N 2.94Å; V149-W154 HydrophobicContact CG1-CB 3.72Å; V149-W154 WeakPolarHBondContact CG1-O 3.34Å; V149-W154 HydrophobicContact CG2-CE3 4.26Å; V149-W154 PolarHBondContact O-N 3.36Å; V149-R155 WeakPolarHBondContact CG1-O 3.31Å; V149-P157 HydrophobicContact CB-CG 4.43Å; V149-P157 HydrophobicContact CG1-CG 4.46Å; V149-P157 HydrophobicContact CG2-CG 4.11Å; V149-V179 HydrophobicContact CG1-CG1 4.47Å; V149-V179 HydrophobicContact CG2-CG1 3.5Å; V149-V179 VanDerWaalsContact CG2-CG1 3.5Å; V149-V179 HydrophobicContact CG2-CG2 4.22Å |
| 150 | V | 91.6 | Very high | 92.6 | Very high | 90 Ų | 90 | 68.8 Ų | 68.8 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174 | 170 | 0 | 0 | 0 | 0 | 111 | Q146 E147 K152 G153 L156 | Q146-V150 WeakPolarHBondContact O-CB 3.23Å; Q146-V150 VanDerWaalsContact O-CG2 3.26Å; Q146-V150 WeakPolarHBondContact O-CG2 3.42Å; Q146-V150 PolarHBondContact O-N 2.89Å; E147-V150 PolarHBondContact O-N 2.78Å; V150-K152 PolarHBondContact O-N 3.38Å; V150-G153 PolarHBondContact O-N 3.47Å; V150-L156 HydrophobicContact CG2-CD2 3.79Å |
| 151 | Q | 88.8 | Confident | 93 | Very high | 169 Ų | 169 | 67.3 Ų | 67.3 | 79% | 0.79 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.4 | -32.7 | 178 | -176.2 | 63.4 | 40.1 | 0 | 0 | 112.5 | E147 L148 G153 | E147-Q151 VanDerWaalsContact O-CB 3.27Å; E147-Q151 WeakPolarHBondContact O-CB 3.28Å; E147-Q151 PolarHBondContact O-N 2.98Å; L148-Q151 PolarHBondContact O-N 3Å; Q151-G153 VanDerWaalsContact C-N 3.32Å |
| 152 | K | 85.7 | Confident | 92.9 | Very high | 88 Ų | 88 | 70.3 Ų | 70.3 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.6 | 175.3 | -72.8 | -179.4 | 175.4 | -80.2 | 0 | 113.8 | L148 V149 V150 W154 I206 | L148-K152 HydrophobicContact CD1-CD 4.33Å; L148-K152 HydrophobicContact CG-CD 4.36Å; L148-K152 WeakPolarHBondContact O-CB 3.24Å; L148-K152 WeakPolarHBondContact O-CG 3.41Å; L148-K152 PolarHBondContact O-N 2.85Å; V149-K152 PolarHBondContact O-N 3.45Å; V150-K152 PolarHBondContact O-N 3.38Å; K152-W154 HydrophobicContact CB-CD2 3.77Å; K152-W154 HydrophobicContact CB-CE3 4.21Å; K152-W154 HydrophobicContact CB-CG 3.99Å; K152-W154 HydrophobicContact CB-CZ2 4.39Å; K152-W154 HydrophobicContact CD-CD2 4.07Å; K152-W154 HydrophobicContact CD-CE3 3.87Å; K152-W154 HydrophobicContact CD-CH2 3.42Å; K152-W154 VanDerWaalsContact CD-CH2 3.42Å; K152-W154 HydrophobicContact CD-CZ2 3.61Å; K152-W154 HydrophobicContact CD-CZ3 3.55Å; K152-W154 PolarHBondContact O-N 2.89Å; K152-I206 HydrophobicContact CD-CG2 4.39Å |
| 153 | G | 86.8 | Confident | 92.7 | Very high | 38 Ų | 38 | 74.1 Ų | 74.1 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 22.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V149 V150 Q151 | V149-G153 PolarHBondContact O-N 2.94Å; V150-G153 PolarHBondContact O-N 3.47Å; Q151-G153 VanDerWaalsContact C-N 3.32Å |
| 154 | W | 91.8 | Very high | 92.7 | Very high | 71 Ų | 71 | 78 Ų | 78 | 27% | 0.269 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 160.4 | 179.7 | -67 | -12.3 | 0 | 0 | 0 | 111.5 | V149 K152 V179 F182 I206 | V149-W154 HydrophobicContact CG1-CB 3.72Å; V149-W154 WeakPolarHBondContact CG1-O 3.34Å; V149-W154 HydrophobicContact CG2-CE3 4.26Å; V149-W154 PolarHBondContact O-N 3.36Å; K152-W154 HydrophobicContact CB-CD2 3.77Å; K152-W154 HydrophobicContact CB-CE3 4.21Å; K152-W154 HydrophobicContact CB-CG 3.99Å; K152-W154 HydrophobicContact CB-CZ2 4.39Å; K152-W154 HydrophobicContact CD-CD2 4.07Å; K152-W154 HydrophobicContact CD-CE3 3.87Å; K152-W154 HydrophobicContact CD-CH2 3.42Å; K152-W154 VanDerWaalsContact CD-CH2 3.42Å; K152-W154 HydrophobicContact CD-CZ2 3.61Å; K152-W154 HydrophobicContact CD-CZ3 3.55Å; K152-W154 PolarHBondContact O-N 2.89Å; W154-V179 HydrophobicContact CE3-CG1 3.78Å; W154-V179 HydrophobicContact CZ3-CG1 4.27Å; W154-F182 HydrophobicContact CH2-CE2 4.14Å; W154-I206 HydrophobicContact CH2-CG2 3.81Å; W154-I206 HydrophobicContact CZ3-CD1 3.95Å; W154-I206 HydrophobicContact CZ3-CG1 4.05Å; W154-I206 HydrophobicContact CZ3-CG2 3.62Å |
| 155 | R | 91.2 | Very high | 92.6 | Very high | 147 Ų | 147 | 78 Ų | 78 | 56% | 0.555 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 142.7 | 173.4 | -66.9 | -176.9 | -176.8 | 161.6 | 3.6 | 110.7 | V149 | V149-R155 WeakPolarHBondContact CG1-O 3.31Š|
| 156 | L | 94.1 | Very high | 92.4 | Very high | 110 Ų | 110 | 80.3 Ų | 80.3 | 58% | 0.576 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 144.3 | -179 | -65.9 | 178.8 | 0 | 0 | 0 | 111.7 | Q146 V150 E158 | Q146-L156 HydrophobicContact CG-CD2 4.22Å; V150-L156 HydrophobicContact CG2-CD2 3.79Å; L156-E158 PolarHBondContact O-N 3.12Å |
| 157 | P | 95.4 | Very high | 92 | Very high | 20 Ų | 20 | 78.8 Ų | 78.8 | 13% | 0.13 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 131.2 | -178.4 | -19.2 | 30.8 | 0 | 0 | 0 | 112.2 | L145 V149 Y159 V179 | L145-P157 HydrophobicContact CD2-CB 4.27Å; L145-P157 HydrophobicContact CD2-CG 4.16Å; L145-P157 HydrophobicContact CG-CG 4.02Å; V149-P157 HydrophobicContact CB-CG 4.43Å; V149-P157 HydrophobicContact CG1-CG 4.46Å; V149-P157 HydrophobicContact CG2-CG 4.11Å; P157-Y159 HydrophobicContact CB-CE2 3.78Å; P157-V179 HydrophobicContact CB-CG2 3.66Å; P157-V179 HydrophobicContact CG-CG2 3.94Å |
| 158 | E | 96.4 | Very high | 91.6 | Very high | 113 Ų | 113 | 76.3 Ų | 76.3 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139.9 | 172.9 | -171 | -177.3 | 173.6 | 0 | 0 | 110 | L156 C177 R178 | L156-E158 PolarHBondContact O-N 3.12Å; E158-C177 CarbonylContact O-C 3.58Å; E158-C177 VanDerWaalsContact O-CA 3.31Å; E158-C177 WeakPolarHBondContact O-CA 3.41Å; E158-R178 HydrophobicContact CB-CB 4.36Å; E158-R178 PolarHBondContact N-O 2.92Å; E158-R178 PolarHBondContact O-N 3.37Å |
| 159 | Y | 96.4 | Very high | 91.2 | Very high | 50 Ų | 50 | 82.1 Ų | 82.1 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.4 | 179.7 | -65.5 | -84.6 | 0 | 0 | 0 | 111.1 | V142 P157 M175 T176 C177 K195 A199 | V142-Y159 HydrophobicContact CG1-CE2 4.43Å; P157-Y159 HydrophobicContact CB-CE2 3.78Å; Y159-M175 HydrophobicContact CD1-CG 4.13Å; Y159-T176 WeakPolarHBondContact CA-O 3.43Å; Y159-C177 HydrophobicContact CD1-CB 3.84Å; Y159-C177 HydrophobicContact CE1-CB 3.71Å; Y159-C177 WeakPolarHBondContact CE1-SG 3.42Å; Y159-K195 HydrophobicContact CD1-CD 4.3Å; Y159-K195 HydrophobicContact CD1-CG 3.64Å; Y159-K195 HydrophobicContact CD2-CD 4.3Å; Y159-K195 HydrophobicContact CD2-CG 4.47Å; Y159-K195 HydrophobicContact CE1-CD 4.47Å; Y159-K195 HydrophobicContact CE1-CG 3.68Å; Y159-K195 HydrophobicContact CE2-CD 4.48Å; Y159-K195 HydrophobicContact CG-CD 4.18Å; Y159-K195 HydrophobicContact CG-CG 4.03Å; Y159-A199 HydrophobicContact CE1-CB 4.31Å; Y159-A199 WeakPolarHBondContact OH-CB 3.37Å |
| 160 | T | 95.6 | Very high | 90.8 | Very high | 70 Ų | 70 | 91.2 Ų | 91.2 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.3 | -178.7 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | T162 T176 | T160-T162 PolarHBondContact O-N 2.95Å; T160-T176 PolarHBondContact N-O 3.47Å; T160-T176 PolarHBondContact O-N 3.4Å |
| 161 | V | 95.9 | Very high | 90.6 | Very high | 52 Ų | 52 | 91.7 Ų | 91.7 | 32% | 0.315 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 114.9 | 172.9 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | E164 M175 K191 | V161-E164 HydrophobicContact CG1-CG 3.93Å; V161-M175 HydrophobicContact CG2-CE 3.42Å; V161-M175 VanDerWaalsContact CG2-CE 3.42Å; V161-M175 HydrophobicContact CG2-SD 4.05Å; V161-K191 HydrophobicContact CG2-CD 4.18Å; V161-K191 HydrophobicContact CG2-CG 4.41Å |
| 162 | T | 91.6 | Very high | 90.9 | Very high | 81 Ų | 81 | 88.1 Ų | 88.1 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -25.8 | -177.4 | 43.5 | 0 | 0 | 0 | 0 | 112.9 | T160 T174 T176 | T160-T162 PolarHBondContact O-N 2.95Å; T162-T174 PolarHBondContact N-O 3.4Å; T162-T174 PolarHBondContact OG1-O 2.99Å; T162-T176 WeakPolarHBondContact CG2-OG1 3.49Å; T162-T176 PolarHBondContact OG1-OG1 2.93Å |
| 163 | Q | 90.8 | Very high | 91.3 | Very high | 107 Ų | 107 | 84.9 Ų | 84.9 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 141.5 | 179.8 | -165.2 | -179.7 | -11.6 | 0 | 0 | 111.5 | F173 T174 | Q163-F173 WeakPolarHBondContact O-CA 3.26Å; Q163-T174 PolarHBondContact N-O 3.46Å; Q163-T174 PolarHBondContact O-N 3.25Å |
| 164 | E | 95.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 84 Ų | 84 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.5 | 165.2 | -54 | -163.4 | 179.1 | 0 | 0 | 108.2 | V161 E172 F173 K191 | V161-E164 HydrophobicContact CG1-CG 3.93Å; E164-E172 WeakPolarHBondContact CA-O 3.42Å; E164-F173 HydrophobicContact CB-CD1 4.34Å; E164-F173 HydrophobicContact CB-CE1 4.44Å; E164-F173 VanDerWaalsContact CD-CE1 3.46Å; E164-F173 HydrophobicContact CG-CD1 3.71Å; E164-F173 HydrophobicContact CG-CE1 3.92Å; E164-F173 WeakPolarHBondContact OE2-CE1 3.45Å; E164-K191 WeakPolarHBondContact OE1-CE 3.47Å; E164-K191 IonicContact OE1-NZ 3.8Å; E164-K191 PolarHBondContact OE1-NZ 3.42Å |
| 165 | S | 90.8 | Very high | 91.9 | Very high | 41 Ų | 41 | 81 Ų | 81 | 29% | 0.287 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 177.3 | -176.7 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | K171 E172 | S165-K171 WeakPolarHBondContact O-CA 3.37Å; S165-E172 PolarHBondContact N-O 2.88Å; S165-E172 PolarHBondContact O-N 3.32Å |
| 166 | G | 90.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 75.2 Ų | 75.2 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 83.2 | 162.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 167 | P | 87.3 | Confident | 92.3 | Very high | 65 Ų | 65 | 70 Ų | 70 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | trans | -69.7 | 159.1 | -179.2 | 30.6 | -35.4 | 0 | 0 | 0 | 111.2 | H169 R170 K171 | P167-H169 VanDerWaalsContact CB-CE1 3.47Å; P167-H169 WeakPolarHBondContact CB-CE1 3.2Å; P167-H169 PolarHBondContact O-N 3.06Å; P167-R170 HydrophobicContact CG-CB 4.04Å; P167-R170 CarbonylContact O-C 3.57Å; P167-R170 WeakPolarHBondContact O-CA 3.43Å; P167-R170 PolarHBondContact O-N 2.73Å; P167-K171 PolarHBondContact O-N 3.08Å; P167-K171 VanDerWaalsContact O-N 3.16Å | ||
| 168 | A | 84.7 | Confident | 92.3 | Very high | 91 Ų | 91 | 76 Ų | 76 | 75% | 0.752 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -31.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 169 | H | 81.7 | Confident | 92.2 | Very high | 170 Ų | 170 | 70.7 Ų | 70.7 | 79% | 0.787 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -4.2 | 178.5 | 60.8 | -93.3 | 0 | 0 | 0 | 114.3 | P167 | P167-H169 VanDerWaalsContact CB-CE1 3.47Å; P167-H169 WeakPolarHBondContact CB-CE1 3.2Å; P167-H169 PolarHBondContact O-N 3.06Å |
| 170 | R | 83.6 | Confident | 91.9 | Very high | 192 Ų | 192 | 72.6 Ų | 72.6 | 73% | 0.725 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -153.4 | 62 | 178.8 | -169.9 | -178.7 | 168.3 | 162.3 | -3 | 110 | P167 | P167-R170 HydrophobicContact CG-CB 4.04Å; P167-R170 CarbonylContact O-C 3.57Å; P167-R170 WeakPolarHBondContact O-CA 3.43Å; P167-R170 PolarHBondContact O-N 2.73Å |
| 171 | K | 89.4 | Confident | 91.5 | Very high | 99 Ų | 99 | 78.6 Ų | 78.6 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | trans | -67.5 | 146 | 177.3 | -68.9 | -170.8 | 173.8 | -117.3 | 0 | 111.2 | S165 P167 F173 T189 | S165-K171 WeakPolarHBondContact O-CA 3.37Å; P167-K171 PolarHBondContact O-N 3.08Å; P167-K171 VanDerWaalsContact O-N 3.16Å; K171-F173 HydrophobicContact CB-CD2 4.46Å; K171-F173 HydrophobicContact CB-CE2 3.67Å; K171-F173 HydrophobicContact CB-CZ 4.04Å; K171-F173 HydrophobicContact CD-CE2 4.34Å; K171-F173 HydrophobicContact CD-CZ 3.88Å; K171-T189 WeakPolarHBondContact O-CA 3.31Å | ||
| 172 | E | 93.3 | Very high | 91.4 | Very high | 94 Ų | 94 | 77 Ų | 77 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.9 | 171.5 | -179.7 | 166.6 | -152.5 | 0 | 0 | 109.2 | E164 S165 | E164-E172 WeakPolarHBondContact CA-O 3.42Å; S165-E172 PolarHBondContact N-O 2.88Å; S165-E172 PolarHBondContact O-N 3.32Å |
| 173 | F | 94.9 | Very high | 91.5 | Very high | 21 Ų | 21 | 76.9 Ų | 76.9 | 9% | 0.092 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.3 | -178.7 | -61.1 | -92.7 | 0 | 0 | 0 | 108.7 | Q163 E164 K171 S187 G188 S190 K191 A194 | Q163-F173 WeakPolarHBondContact O-CA 3.26Å; E164-F173 HydrophobicContact CB-CD1 4.34Å; E164-F173 HydrophobicContact CB-CE1 4.44Å; E164-F173 VanDerWaalsContact CD-CE1 3.46Å; E164-F173 HydrophobicContact CG-CD1 3.71Å; E164-F173 HydrophobicContact CG-CE1 3.92Å; E164-F173 WeakPolarHBondContact OE2-CE1 3.45Å; K171-F173 HydrophobicContact CB-CD2 4.46Å; K171-F173 HydrophobicContact CB-CE2 3.67Å; K171-F173 HydrophobicContact CB-CZ 4.04Å; K171-F173 HydrophobicContact CD-CE2 4.34Å; K171-F173 HydrophobicContact CD-CZ 3.88Å; F173-S187 CarbonylContact O-C 3.09Å; F173-S187 VanDerWaalsContact O-CA 3.23Å; F173-S187 WeakPolarHBondContact O-CA 3.11Å; F173-G188 PolarHBondContact N-O 3.04Å; F173-G188 PolarHBondContact O-N 2.92Å; F173-S190 VanDerWaalsContact CD2-CA 3.45Å; F173-K191 HydrophobicContact CB-CG 4.48Å; F173-K191 HydrophobicContact CD1-CD 4.29Å; F173-K191 HydrophobicContact CD1-CG 3.5Å; F173-K191 VanDerWaalsContact CD1-CG 3.5Å; F173-K191 HydrophobicContact CE1-CD 4.28Å; F173-K191 VanDerWaalsContact CE1-CE 3.41Å; F173-K191 HydrophobicContact CE1-CG 3.79Å; F173-K191 HydrophobicContact CG-CG 3.95Å; F173-K191 HydrophobicContact CZ-CG 4.43Å; F173-A194 HydrophobicContact CB-CB 4.12Å; F173-A194 VanDerWaalsContact O-CB 3.28Å; F173-A194 WeakPolarHBondContact O-CB 3.47Å |
| 174 | T | 94.3 | Very high | 91.8 | Very high | 20 Ų | 20 | 74 Ų | 74 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.6 | 172.5 | -52.9 | 0 | 0 | 0 | 0 | 108.6 | T162 Q163 I185 | T162-T174 PolarHBondContact N-O 3.4Å; T162-T174 PolarHBondContact OG1-O 2.99Å; Q163-T174 PolarHBondContact N-O 3.46Å; Q163-T174 PolarHBondContact O-N 3.25Å; T174-I185 HydrophobicContact CG2-CG2 3.23Å |
| 175 | M | 97.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.5 | -179.6 | -174.8 | 71.2 | 65.5 | 0 | 0 | 109 | Y159 V161 I185 G186 A194 K195 A198 | Y159-M175 HydrophobicContact CD1-CG 4.13Å; V161-M175 HydrophobicContact CG2-CE 3.42Å; V161-M175 VanDerWaalsContact CG2-CE 3.42Å; V161-M175 HydrophobicContact CG2-SD 4.05Å; M175-I185 WeakPolarHBondContact O-CA 3.49Å; M175-G186 PolarHBondContact N-O 3.11Å; M175-G186 PolarHBondContact O-N 2.91Å; M175-A194 HydrophobicContact CB-CB 3.76Å; M175-K195 HydrophobicContact CE-CB 4.29Å; M175-K195 HydrophobicContact CG-CB 4.33Å; M175-A198 HydrophobicContact CB-CB 4.39Å; M175-A198 HydrophobicContact CG-CB 4.39Å |
| 176 | T | 95.9 | Very high | 92 | Very high | 25 Ų | 25 | 71.2 Ų | 71.2 | 15% | 0.153 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.3 | 170 | -60.3 | 0 | 0 | 0 | 0 | 109 | Y159 T160 T162 V183 I185 | Y159-T176 WeakPolarHBondContact CA-O 3.43Å; T160-T176 PolarHBondContact N-O 3.47Å; T160-T176 PolarHBondContact O-N 3.4Å; T162-T176 WeakPolarHBondContact CG2-OG1 3.49Å; T162-T176 PolarHBondContact OG1-OG1 2.93Å; T176-V183 HydrophobicContact CG2-CG1 3.48Å; T176-V183 VanDerWaalsContact CG2-CG1 3.48Å; T176-I185 HydrophobicContact CG2-CG1 4.33Å |
| 177 | C | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.6 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 109 | E158 Y159 V183 E184 A198 M202 | E158-C177 CarbonylContact O-C 3.58Å; E158-C177 VanDerWaalsContact O-CA 3.31Å; E158-C177 WeakPolarHBondContact O-CA 3.41Å; Y159-C177 HydrophobicContact CD1-CB 3.84Å; Y159-C177 HydrophobicContact CE1-CB 3.71Å; Y159-C177 WeakPolarHBondContact CE1-SG 3.42Å; C177-V183 WeakPolarHBondContact O-CA 3.46Å; C177-E184 PolarHBondContact N-O 2.9Å; C177-E184 PolarHBondContact O-N 2.96Å; C177-A198 HydrophobicContact CB-CB 3.84Å; C177-M202 HydrophobicContact CB-CE 4.31Å; C177-M202 WeakPolarHBondContact O-CE 3.34Å |
| 178 | R | 95.4 | Very high | 92.5 | Very high | 147 Ų | 147 | 68.7 Ų | 68.7 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.3 | 176.9 | -176.3 | 176.6 | -175.8 | 167.2 | 3 | 109.9 | E158 V183 | E158-R178 HydrophobicContact CB-CB 4.36Å; E158-R178 PolarHBondContact N-O 2.92Å; E158-R178 PolarHBondContact O-N 3.37Å; R178-V183 HydrophobicContact CG-CG2 4.24Å |
| 179 | V | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 112 | 175.5 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | L145 V149 W154 P157 R181 F182 M202 I206 | L145-V179 HydrophobicContact CD1-CG2 4.44Å; L145-V179 HydrophobicContact CD2-CG2 4.24Å; V149-V179 HydrophobicContact CG1-CG1 4.47Å; V149-V179 HydrophobicContact CG2-CG1 3.5Å; V149-V179 VanDerWaalsContact CG2-CG1 3.5Å; V149-V179 HydrophobicContact CG2-CG2 4.22Å; W154-V179 HydrophobicContact CE3-CG1 3.78Å; W154-V179 HydrophobicContact CZ3-CG1 4.27Å; P157-V179 HydrophobicContact CB-CG2 3.66Å; P157-V179 HydrophobicContact CG-CG2 3.94Å; V179-R181 PolarHBondContact O-N 3.5Å; V179-F182 PolarHBondContact N-O 2.98Å; V179-F182 WeakPolarHBondContact O-CA 3.44Å; V179-F182 WeakPolarHBondContact O-CB 3.13Å; V179-F182 PolarHBondContact O-N 3.31Å; V179-M202 HydrophobicContact CB-CE 4.15Å; V179-M202 HydrophobicContact CB-CG 4.33Å; V179-M202 HydrophobicContact CB-SD 4.1Å; V179-M202 HydrophobicContact CG2-CE 4.16Å; V179-M202 HydrophobicContact CG2-CG 3.93Å; V179-M202 HydrophobicContact CG2-SD 4.29Å; V179-I206 HydrophobicContact CB-CD1 4.41Å; V179-I206 HydrophobicContact CG1-CD1 4.05Å |
| 180 | E | 89.2 | Confident | 93.4 | Very high | 90 Ų | 90 | 63.1 Ų | 63.1 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -122.4 | -177 | -158.9 | 59.3 | -150.7 | 0 | 0 | 111.2 | ||
| 181 | R | 88.6 | Confident | 93.9 | Very high | 196 Ų | 196 | 58.6 Ų | 58.6 | 74% | 0.74 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.8 | 173.6 | 65.1 | 179.4 | 170.7 | -126.4 | 2.1 | 114.2 | V179 | V179-R181 PolarHBondContact O-N 3.5Š|
| 182 | F | 93.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 135.1 | -177.6 | -56.1 | -72.8 | 0 | 0 | 0 | 110.2 | W154 V179 M202 R205 I206 V209 | W154-F182 HydrophobicContact CH2-CE2 4.14Å; V179-F182 PolarHBondContact N-O 2.98Å; V179-F182 WeakPolarHBondContact O-CA 3.44Å; V179-F182 WeakPolarHBondContact O-CB 3.13Å; V179-F182 PolarHBondContact O-N 3.31Å; F182-M202 HydrophobicContact CB-CE 3.99Å; F182-M202 HydrophobicContact CB-SD 3.51Å; F182-M202 VanDerWaalsContact CB-SD 3.51Å; F182-M202 WeakPolarHBondContact O-CE 3.47Å; F182-R205 HydrophobicContact CD1-CG 3.96Å; F182-I206 HydrophobicContact CD2-CG1 4.06Å; F182-I206 HydrophobicContact CE2-CG1 4.41Å; F182-V209 HydrophobicContact CE1-CG2 3.95Å; F182-V209 HydrophobicContact CZ-CG2 4.08Å |
| 183 | V | 93.8 | Very high | 94.1 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 47% | 0.473 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.7 | 174.2 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | T176 C177 R178 | T176-V183 HydrophobicContact CG2-CG1 3.48Å; T176-V183 VanDerWaalsContact CG2-CG1 3.48Å; C177-V183 WeakPolarHBondContact O-CA 3.46Å; R178-V183 HydrophobicContact CG-CG2 4.24Å |
| 184 | E | 96.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 147.8 | 178.2 | -75.7 | -64.3 | 162.7 | 0 | 0 | 110.6 | C177 K201 M202 R205 | C177-E184 PolarHBondContact N-O 2.9Å; C177-E184 PolarHBondContact O-N 2.96Å; E184-K201 HydrophobicContact CB-CB 4.21Å; E184-K201 HydrophobicContact CG-CB 4.37Å; E184-M202 HydrophobicContact CB-CB 4.16Å; E184-M202 HydrophobicContact CB-CE 3.84Å; E184-M202 HydrophobicContact CB-SD 4.42Å; E184-M202 HydrophobicContact CG-CB 4.27Å; E184-M202 HydrophobicContact CG-CE 3.99Å; E184-M202 HydrophobicContact CG-SD 4.04Å; E184-R205 HydrophobicContact CG-CB 4.09Å; E184-R205 HydrophobicContact CG-CG 4.37Å; E184-R205 WeakPolarHBondContact OE1-CG 3.26Å |
| 185 | I | 94.8 | Very high | 94.2 | Very high | 83 Ų | 83 | 61 Ų | 61 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.4 | -173.1 | -56.8 | 176.8 | 0 | 0 | 0 | 110.1 | T174 M175 T176 K201 | T174-I185 HydrophobicContact CG2-CG2 3.23Å; M175-I185 WeakPolarHBondContact O-CA 3.49Å; T176-I185 HydrophobicContact CG2-CG1 4.33Å; I185-K201 WeakPolarHBondContact O-CD 3.5Å; I185-K201 WeakPolarHBondContact O-CE 3Å; I185-K201 PolarHBondContact O-NZ 2.85Å |
| 186 | G | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M175 | M175-G186 PolarHBondContact N-O 3.11Å; M175-G186 PolarHBondContact O-N 2.91Å |
| 187 | S | 94.3 | Very high | 94.1 | Very high | 52 Ų | 52 | 66.8 Ų | 66.8 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 158.4 | 172.1 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | F173 N197 | F173-S187 CarbonylContact O-C 3.09Å; F173-S187 VanDerWaalsContact O-CA 3.23Å; F173-S187 WeakPolarHBondContact O-CA 3.11Å; S187-N197 PolarHBondContact O-ND2 3.27Å |
| 188 | G | 94.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | 164.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F173 S190 | F173-G188 PolarHBondContact N-O 3.04Å; F173-G188 PolarHBondContact O-N 2.92Å; G188-S190 PolarHBondContact O-N 2.74Å; G188-S190 VanDerWaalsContact O-N 3.1Å |
| 189 | T | 91.9 | Very high | 94.2 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -71.8 | -1.1 | 179.7 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | K171 | K171-T189 WeakPolarHBondContact O-CA 3.31Š|
| 190 | S | 93.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 61.6 Ų | 61.6 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -149.3 | 155 | 173.4 | 65 | 0 | 0 | 0 | 0 | 110.1 | F173 G188 K192 L193 A194 | F173-S190 VanDerWaalsContact CD2-CA 3.45Å; G188-S190 PolarHBondContact O-N 2.74Å; G188-S190 VanDerWaalsContact O-N 3.1Å; S190-K192 PolarHBondContact O-N 2.93Å; S190-L193 PolarHBondContact O-N 3.39Å; S190-L193 WeakPolarHBondContact OG-CB 3.49Å; S190-L193 PolarHBondContact OG-N 2.86Å; S190-L193 VanDerWaalsContact OG-N 3.13Å; S190-A194 WeakPolarHBondContact O-CB 2.95Å; S190-A194 PolarHBondContact O-N 3.07Å |
| 191 | K | 93.3 | Very high | 94.5 | Very high | 98 Ų | 98 | 62.3 Ų | 62.3 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.1 | -37.2 | 173.9 | -61.2 | -174.8 | -177.9 | -165.6 | 0 | 112.5 | V161 E164 F173 K195 | V161-K191 HydrophobicContact CG2-CD 4.18Å; V161-K191 HydrophobicContact CG2-CG 4.41Å; E164-K191 WeakPolarHBondContact OE1-CE 3.47Å; E164-K191 IonicContact OE1-NZ 3.8Å; E164-K191 PolarHBondContact OE1-NZ 3.42Å; F173-K191 HydrophobicContact CB-CG 4.48Å; F173-K191 HydrophobicContact CD1-CD 4.29Å; F173-K191 HydrophobicContact CD1-CG 3.5Å; F173-K191 VanDerWaalsContact CD1-CG 3.5Å; F173-K191 HydrophobicContact CE1-CD 4.28Å; F173-K191 VanDerWaalsContact CE1-CE 3.41Å; F173-K191 HydrophobicContact CE1-CG 3.79Å; F173-K191 HydrophobicContact CG-CG 3.95Å; F173-K191 HydrophobicContact CZ-CG 4.43Å; K191-K195 VanDerWaalsContact O-CB 3.31Å; K191-K195 WeakPolarHBondContact O-CB 3.46Å; K191-K195 PolarHBondContact O-N 3.41Å |
| 192 | K | 93.8 | Very high | 94.9 | Very high | 152 Ų | 152 | 53 Ų | 53 | 66% | 0.661 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 177.2 | -173.2 | 176 | -177.6 | 176.2 | 0 | 112 | S190 R196 | S190-K192 PolarHBondContact O-N 2.93Å; K192-R196 WeakPolarHBondContact O-CB 3.32Å; K192-R196 PolarHBondContact O-N 2.98Å |
| 193 | L | 92.6 | Very high | 94.9 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 27% | 0.272 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.9 | -42.8 | 178.2 | -175.8 | 60.7 | 0 | 0 | 0 | 111.6 | S190 K195 R196 N197 | S190-L193 PolarHBondContact O-N 3.39Å; S190-L193 WeakPolarHBondContact OG-CB 3.49Å; S190-L193 PolarHBondContact OG-N 2.86Å; S190-L193 VanDerWaalsContact OG-N 3.13Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.01Å; L193-R196 WeakPolarHBondContact O-CB 3.31Å; L193-R196 PolarHBondContact O-N 3.08Å; L193-N197 WeakPolarHBondContact O-CB 3.31Å; L193-N197 PolarHBondContact O-N 3.29Å |
| 194 | A | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F173 M175 S190 R196 N197 A198 | F173-A194 HydrophobicContact CB-CB 4.12Å; F173-A194 VanDerWaalsContact O-CB 3.28Å; F173-A194 WeakPolarHBondContact O-CB 3.47Å; M175-A194 HydrophobicContact CB-CB 3.76Å; S190-A194 WeakPolarHBondContact O-CB 2.95Å; S190-A194 PolarHBondContact O-N 3.07Å; A194-R196 PolarHBondContact O-N 3.09Å; A194-N197 PolarHBondContact O-N 2.88Å; A194-A198 WeakPolarHBondContact O-CB 3.26Å; A194-A198 PolarHBondContact O-N 3.48Å |
| 195 | K | 96.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 172.9 | -175.4 | 176.9 | -66.7 | -166 | 0 | 112.7 | V142 Y159 M175 K191 L193 N197 A198 A199 | V142-K195 HydrophobicContact CG1-CD 4.43Å; V142-K195 HydrophobicContact CG2-CG 4.15Å; Y159-K195 HydrophobicContact CD1-CD 4.3Å; Y159-K195 HydrophobicContact CD1-CG 3.64Å; Y159-K195 HydrophobicContact CD2-CD 4.3Å; Y159-K195 HydrophobicContact CD2-CG 4.47Å; Y159-K195 HydrophobicContact CE1-CD 4.47Å; Y159-K195 HydrophobicContact CE1-CG 3.68Å; Y159-K195 HydrophobicContact CE2-CD 4.48Å; Y159-K195 HydrophobicContact CG-CD 4.18Å; Y159-K195 HydrophobicContact CG-CG 4.03Å; M175-K195 HydrophobicContact CE-CB 4.29Å; M175-K195 HydrophobicContact CG-CB 4.33Å; K191-K195 VanDerWaalsContact O-CB 3.31Å; K191-K195 WeakPolarHBondContact O-CB 3.46Å; K191-K195 PolarHBondContact O-N 3.41Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.01Å; K195-N197 VanDerWaalsContact C-N 3.33Å; K195-N197 PolarHBondContact O-N 3.45Å; K195-A198 PolarHBondContact O-N 3.22Å; K195-A199 WeakPolarHBondContact O-CB 3.37Å; K195-A199 PolarHBondContact O-N 3.31Å |
| 196 | R | 96.4 | Very high | 94 | Very high | 96 Ų | 96 | 54.1 Ų | 54.1 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 177.9 | -172.3 | -174.9 | -69.2 | 131.4 | -9.3 | 111.6 | P141 V142 K192 L193 A194 A199 A200 | P141-R196 HydrophobicContact CG-CB 4.36Å; P141-R196 HydrophobicContact CG-CG 3.26Å; P141-R196 VanDerWaalsContact CG-O 3.26Å; P141-R196 WeakPolarHBondContact CG-O 3.41Å; V142-R196 HydrophobicContact CG2-CB 4.42Å; K192-R196 WeakPolarHBondContact O-CB 3.32Å; K192-R196 PolarHBondContact O-N 2.98Å; L193-R196 WeakPolarHBondContact O-CB 3.31Å; L193-R196 PolarHBondContact O-N 3.08Å; A194-R196 PolarHBondContact O-N 3.09Å; R196-A199 PolarHBondContact O-N 2.95Å; R196-A200 PolarHBondContact O-N 2.87Å |
| 197 | N | 95.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | -179.6 | -71.2 | -8.9 | 0 | 0 | 0 | 111.9 | S187 L193 A194 K195 A200 K201 | S187-N197 PolarHBondContact O-ND2 3.27Å; L193-N197 WeakPolarHBondContact O-CB 3.31Å; L193-N197 PolarHBondContact O-N 3.29Å; A194-N197 PolarHBondContact O-N 2.88Å; K195-N197 VanDerWaalsContact C-N 3.33Å; K195-N197 PolarHBondContact O-N 3.45Å; N197-A200 PolarHBondContact O-N 3.2Å; N197-K201 PolarHBondContact O-N 3.19Å; N197-K201 VanDerWaalsContact O-N 3.12Å |
| 198 | A | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | M175 C177 A194 K195 A200 K201 M202 | M175-A198 HydrophobicContact CB-CB 4.39Å; M175-A198 HydrophobicContact CG-CB 4.39Å; C177-A198 HydrophobicContact CB-CB 3.84Å; A194-A198 WeakPolarHBondContact O-CB 3.26Å; A194-A198 PolarHBondContact O-N 3.48Å; K195-A198 PolarHBondContact O-N 3.22Å; A198-A200 PolarHBondContact O-N 2.83Å; A198-K201 PolarHBondContact O-N 3.35Å; A198-M202 WeakPolarHBondContact O-CB 3.5Å; A198-M202 PolarHBondContact O-N 2.93Å |
| 199 | A | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P141 V142 L145 Y159 K195 R196 M202 L203 | P141-A199 HydrophobicContact CB-CB 4.26Å; P141-A199 HydrophobicContact CG-CB 4.49Å; V142-A199 HydrophobicContact CB-CB 4.35Å; V142-A199 HydrophobicContact CG2-CB 3.86Å; L145-A199 HydrophobicContact CB-CB 4.46Å; L145-A199 HydrophobicContact CD2-CB 3.95Å; Y159-A199 HydrophobicContact CE1-CB 4.31Å; Y159-A199 WeakPolarHBondContact OH-CB 3.37Å; K195-A199 WeakPolarHBondContact O-CB 3.37Å; K195-A199 PolarHBondContact O-N 3.31Å; R196-A199 PolarHBondContact O-N 2.95Å; A199-M202 PolarHBondContact O-N 3.07Å; A199-L203 WeakPolarHBondContact O-CG 3.17Å; A199-L203 PolarHBondContact O-N 3.34Å |
| 200 | A | 95.1 | Very high | 87.8 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P141 R196 N197 A198 M202 L203 S204 | P141-A200 HydrophobicContact CB-CB 3.86Å; P141-A200 HydrophobicContact CG-CB 4.11Å; R196-A200 PolarHBondContact O-N 2.87Å; N197-A200 PolarHBondContact O-N 3.2Å; A198-A200 PolarHBondContact O-N 2.83Å; A200-M202 VanDerWaalsContact C-N 3.34Å; A200-M202 PolarHBondContact O-N 2.82Å; A200-L203 PolarHBondContact O-N 2.85Å; A200-S204 PolarHBondContact O-N 3.08Å; A200-S204 PolarHBondContact O-OG 3.46Å |
| 201 | K | 95.2 | Very high | 85.9 | Confident | 105 Ų | 105 | 71.2 Ų | 71.2 | 46% | 0.457 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 174.5 | -71.2 | -178.9 | 179.9 | -174.4 | 0 | 111.9 | E184 I185 N197 A198 L203 S204 R205 | E184-K201 HydrophobicContact CB-CB 4.21Å; E184-K201 HydrophobicContact CG-CB 4.37Å; I185-K201 WeakPolarHBondContact O-CD 3.5Å; I185-K201 WeakPolarHBondContact O-CE 3Å; I185-K201 PolarHBondContact O-NZ 2.85Å; N197-K201 PolarHBondContact O-N 3.19Å; N197-K201 VanDerWaalsContact O-N 3.12Å; A198-K201 PolarHBondContact O-N 3.35Å; K201-L203 PolarHBondContact O-N 2.96Å; K201-S204 PolarHBondContact O-N 3.06Å; K201-R205 WeakPolarHBondContact O-CB 3.28Å; K201-R205 PolarHBondContact O-N 3.01Å |
| 202 | M | 95.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 177 | -174.7 | 61.4 | 80.2 | 0 | 0 | 112.6 | L145 C177 V179 F182 E184 A198 A199 A200 S204 R205 I206 | L145-M202 HydrophobicContact CD1-CB 4.28Å; L145-M202 HydrophobicContact CD1-CG 3.69Å; L145-M202 HydrophobicContact CD2-CB 3.83Å; L145-M202 HydrophobicContact CD2-CG 3.69Å; L145-M202 HydrophobicContact CG-CG 4.36Å; C177-M202 HydrophobicContact CB-CE 4.31Å; C177-M202 WeakPolarHBondContact O-CE 3.34Å; V179-M202 HydrophobicContact CB-CE 4.15Å; V179-M202 HydrophobicContact CB-CG 4.33Å; V179-M202 HydrophobicContact CB-SD 4.1Å; V179-M202 HydrophobicContact CG2-CE 4.16Å; V179-M202 HydrophobicContact CG2-CG 3.93Å; V179-M202 HydrophobicContact CG2-SD 4.29Å; F182-M202 HydrophobicContact CB-CE 3.99Å; F182-M202 HydrophobicContact CB-SD 3.51Å; F182-M202 VanDerWaalsContact CB-SD 3.51Å; F182-M202 WeakPolarHBondContact O-CE 3.47Å; E184-M202 HydrophobicContact CB-CB 4.16Å; E184-M202 HydrophobicContact CB-CE 3.84Å; E184-M202 HydrophobicContact CB-SD 4.42Å; E184-M202 HydrophobicContact CG-CB 4.27Å; E184-M202 HydrophobicContact CG-CE 3.99Å; E184-M202 HydrophobicContact CG-SD 4.04Å; A198-M202 WeakPolarHBondContact O-CB 3.5Å; A198-M202 PolarHBondContact O-N 2.93Å; A199-M202 PolarHBondContact O-N 3.07Å; A200-M202 VanDerWaalsContact C-N 3.34Å; A200-M202 PolarHBondContact O-N 2.82Å; M202-S204 PolarHBondContact O-N 2.76Å; M202-R205 PolarHBondContact O-N 3.35Å; M202-I206 HydrophobicContact CG-CD1 3.64Å; M202-I206 HydrophobicContact CG-CG1 4.35Å; M202-I206 WeakPolarHBondContact O-CB 3.47Å; M202-I206 VanDerWaalsContact O-CG1 3.31Å; M202-I206 WeakPolarHBondContact O-CG1 3.47Å; M202-I206 PolarHBondContact O-N 3.02Å; M202-I206 HydrophobicContact SD-CD1 3.88Å; M202-I206 HydrophobicContact SD-CG1 4.1Å |
| 203 | L | 94 | Very high | 80.6 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 174.2 | -80.2 | 170.7 | 0 | 0 | 0 | 111.9 | P141 A144 L145 L148 A199 A200 K201 R205 I206 H207 | P141-L203 HydrophobicContact CB-CD1 3.79Å; P141-L203 WeakPolarHBondContact O-CD1 3.34Å; A144-L203 HydrophobicContact CB-CD1 3.94Å; L145-L203 HydrophobicContact CB-CD1 4.34Å; L145-L203 HydrophobicContact CB-CD2 3.98Å; L145-L203 HydrophobicContact CB-CG 3.92Å; L145-L203 HydrophobicContact CD1-CD2 3.95Å; L145-L203 HydrophobicContact CD1-CG 4.14Å; L148-L203 HydrophobicContact CB-CD2 4.4Å; L148-L203 HydrophobicContact CD2-CD2 3.67Å; A199-L203 WeakPolarHBondContact O-CG 3.17Å; A199-L203 PolarHBondContact O-N 3.34Å; A200-L203 PolarHBondContact O-N 2.85Å; K201-L203 PolarHBondContact O-N 2.96Å; L203-R205 VanDerWaalsContact C-N 3.31Å; L203-R205 PolarHBondContact O-N 2.87Å; L203-I206 PolarHBondContact O-N 3.39Å; L203-H207 VanDerWaalsContact O-CB 3.32Å; L203-H207 WeakPolarHBondContact O-CB 3.47Å; L203-H207 PolarHBondContact O-N 2.91Å |
| 204 | S | 90.1 | Very high | 78.4 | Confident | 68 Ų | 68 | 81.5 Ų | 81.5 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | A200 K201 M202 N208 | A200-S204 PolarHBondContact O-N 3.08Å; A200-S204 PolarHBondContact O-OG 3.46Å; K201-S204 PolarHBondContact O-N 3.06Å; M202-S204 PolarHBondContact O-N 2.76Å; S204-N208 VanDerWaalsContact O-CB 3.26Å; S204-N208 WeakPolarHBondContact O-CB 3.45Å; S204-N208 VanDerWaalsContact O-CG 3.3Å; S204-N208 PolarHBondContact O-N 3.18Å; S204-N208 PolarHBondContact O-ND2 3.3Å; S204-N208 VanDerWaalsContact O-ND2 3.09Å |
| 205 | R | 88.8 | Confident | 75.7 | Confident | 135 Ų | 135 | 86.5 Ų | 86.5 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 178.3 | -173.6 | 64.8 | 174.7 | 167.6 | -0.5 | 111.9 | F182 E184 K201 M202 L203 V209 | F182-R205 HydrophobicContact CD1-CG 3.96Å; E184-R205 HydrophobicContact CG-CB 4.09Å; E184-R205 HydrophobicContact CG-CG 4.37Å; E184-R205 WeakPolarHBondContact OE1-CG 3.26Å; K201-R205 WeakPolarHBondContact O-CB 3.28Å; K201-R205 PolarHBondContact O-N 3.01Å; M202-R205 PolarHBondContact O-N 3.35Å; L203-R205 VanDerWaalsContact C-N 3.31Å; L203-R205 PolarHBondContact O-N 2.87Å; R205-V209 WeakPolarHBondContact O-CG2 3.39Å |
| 206 | I | 87.4 | Confident | 73.1 | Confident | 8 Ų | 8 | 87.8 Ų | 87.8 | 4% | 0.041 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.4 | -35.3 | -179.8 | -67.4 | 163.8 | 0 | 0 | 0 | 111.4 | L145 L148 K152 W154 V179 F182 M202 L203 | L145-I206 HydrophobicContact CD1-CD1 3.58Å; L148-I206 HydrophobicContact CD2-CB 4.3Å; L148-I206 HydrophobicContact CD2-CG2 3.73Å; K152-I206 HydrophobicContact CD-CG2 4.39Å; W154-I206 HydrophobicContact CH2-CG2 3.81Å; W154-I206 HydrophobicContact CZ3-CD1 3.95Å; W154-I206 HydrophobicContact CZ3-CG1 4.05Å; W154-I206 HydrophobicContact CZ3-CG2 3.62Å; V179-I206 HydrophobicContact CB-CD1 4.41Å; V179-I206 HydrophobicContact CG1-CD1 4.05Å; F182-I206 HydrophobicContact CD2-CG1 4.06Å; F182-I206 HydrophobicContact CE2-CG1 4.41Å; M202-I206 HydrophobicContact CG-CD1 3.64Å; M202-I206 HydrophobicContact CG-CG1 4.35Å; M202-I206 WeakPolarHBondContact O-CB 3.47Å; M202-I206 VanDerWaalsContact O-CG1 3.31Å; M202-I206 WeakPolarHBondContact O-CG1 3.47Å; M202-I206 PolarHBondContact O-N 3.02Å; M202-I206 HydrophobicContact SD-CD1 3.88Å; M202-I206 HydrophobicContact SD-CG1 4.1Å; L203-I206 PolarHBondContact O-N 3.39Å |
| 207 | H | 79.6 | Confident | 70.1 | Confident | 157 Ų | 157 | 90.9 Ų | 90.9 | 73% | 0.727 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -77.9 | -30 | -179.6 | -163.6 | -72.5 | 0 | 0 | 0 | 113.2 | L203 V209 | L203-H207 VanDerWaalsContact O-CB 3.32Å; L203-H207 WeakPolarHBondContact O-CB 3.47Å; L203-H207 PolarHBondContact O-N 2.91Å; H207-V209 VanDerWaalsContact C-N 3.3Å; H207-V209 PolarHBondContact O-N 3.41Å |
| 208 | N | 65.7 | Low | 67.4 | Low | 126 Ų | 126 | 95.8 Ų | 95.8 | 67% | 0.674 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 4.9 | 179.4 | -75.2 | -34.7 | 0 | 0 | 0 | 114.3 | S204 P210 | S204-N208 VanDerWaalsContact O-CB 3.26Å; S204-N208 WeakPolarHBondContact O-CB 3.45Å; S204-N208 VanDerWaalsContact O-CG 3.3Å; S204-N208 PolarHBondContact O-N 3.18Å; S204-N208 PolarHBondContact O-ND2 3.3Å; S204-N208 VanDerWaalsContact O-ND2 3.09Å; N208-P210 VanDerWaalsContact O-CD 3.31Å; N208-P210 WeakPolarHBondContact O-CD 3.23Å |
| 209 | V | 56.7 | Low | 64.5 | Low | 54 Ų | 54 | 100.5 Ų | 100.5 | 33% | 0.327 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -94.9 | 105.7 | 171.1 | 176.2 | 0 | 0 | 0 | 0 | 107.5 | F182 R205 H207 V211 | F182-V209 HydrophobicContact CE1-CG2 3.95Å; F182-V209 HydrophobicContact CZ-CG2 4.08Å; R205-V209 WeakPolarHBondContact O-CG2 3.39Å; H207-V209 VanDerWaalsContact C-N 3.3Å; H207-V209 PolarHBondContact O-N 3.41Å; V209-V211 PolarHBondContact O-N 2.98Å |
| 210 | P | 43.6 | Very low | 61.9 | Low | 103 Ų | 103 | 109 Ų | 109 | 67% | 0.669 | 59% | 0.593 | S | S | * | * | trans | -59.4 | 132.3 | 171.2 | -15.2 | 29.7 | 0 | 0 | 0 | 108.2 | N208 D212 | N208-P210 VanDerWaalsContact O-CD 3.31Å; N208-P210 WeakPolarHBondContact O-CD 3.23Å; P210-D212 PolarHBondContact O-N 3.38Å | ||
| 211 | V | 52.7 | Low | 59.1 | Low | 126 Ų | 126 | 113.2 Ų | 113.2 | 76% | 0.764 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -71.5 | 78.1 | 164.5 | -179.3 | 0 | 0 | 0 | 0 | 106.1 | V209 | V209-V211 PolarHBondContact O-N 2.98Š|
| 212 | D | 41.5 | Very low | 56.4 | Low | 141 Ų | 141 | 116.8 Ų | 116.8 | 75% | 0.754 | 63% | 0.632 | S | S | * | * | trans | 161.8 | 97.7 | 156.1 | -84.7 | -24.9 | 0 | 0 | 0 | 108.6 | P210 | P210-D212 PolarHBondContact O-N 3.38Š| ||
| 213 | L | 34.7 | Very low | 53.6 | Low | 165 Ų | 165 | 125.4 Ų | 125.4 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | trans | -172.3 | 94.8 | 146 | -98.6 | 161 | 0 | 0 | 0 | 107.8 | S215 | L213-S215 PolarHBondContact O-N 3.42Š| ||
| 214 | R | 46.3 | Very low | 50.8 | Low | 212 Ų | 212 | 131.8 Ų | 131.8 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | trans | -60.2 | 112.4 | 146 | -64.6 | 176.5 | 126.7 | 168.9 | 3.2 | 106.7 | ||||
| 215 | S | 39.5 | Very low | 48.2 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 165.5 | 124.2 | 141.2 | -77.3 | 0 | 0 | 0 | 0 | 110.7 | L213 | L213-S215 PolarHBondContact O-N 3.42Š| ||
| 216 | S | 42.6 | Very low | 45.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | 35.1 | 108 | 137.8 | -48.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 217 | N | 32.8 | Very low | 42.5 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | 178.6 | 111.7 | 107.5 | -100.5 | 6.7 | 0 | 0 | 0 | 109.2 | |||||
| 218 | D | 39.7 | Very low | 40.3 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -71.2 | 125.3 | 164.7 | -69.4 | -54.9 | 0 | 0 | 0 | 108.5 | ||||
| 219 | A | 36.7 | Very low | 38.9 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -93.4 | 115.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 220 | E | 42.3 | Very low | 37.8 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -60.5 | 143 | -178.9 | -55.6 | 176.4 | 141 | 0 | 0 | 111.4 | ||||
| 221 | T | 34.7 | Very low | 37.2 | Very low | 126 Ų | 126 | 149 Ų | 149 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -162.9 | 103 | 137.4 | 3.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 222 | E | 39.3 | Very low | 36.3 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | 52.5 | 92 | 133.4 | -55 | -176.3 | -162.6 | 0 | 0 | 116.4 | ||||
| 223 | E | 36.7 | Very low | 35.7 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | 43.7 | 102.9 | 92.4 | -68.4 | -144.4 | 137.4 | 0 | 0 | 114.8 | |||||
| 224 | D | 35.4 | Very low | 35.7 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -130.6 | 123.8 | 143.1 | -122.4 | -16.4 | 0 | 0 | 0 | 109.5 | ||||
| 225 | T | 35.8 | Very low | 34.9 | Very low | 97 Ų | 97 | 149.3 Ų | 149.3 | 60% | 0.595 | 82% | 0.815 | S | S | * | * | trans | -78.3 | 138.5 | -159.8 | -49.1 | 0 | 0 | 0 | 0 | 113 | N227 | T225-N227 HydrophobicContact CG2-CB 4.44Š| ||
| 226 | F | 26.9 | Very low | 34.4 | Very low | 215 Ų | 215 | 149.6 Ų | 149.6 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | -145.8 | 94.8 | 144.6 | -102.3 | -81.3 | 0 | 0 | 0 | 109.5 | ||||
| 227 | N | 30 | Very low | 34 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 59% | 0.588 | 82% | 0.816 | S | S | * | * | trans | -106.5 | 119.1 | 178.7 | -147.7 | 34.4 | 0 | 0 | 0 | 109.2 | T225 H229 | T225-N227 HydrophobicContact CG2-CB 4.44Å; N227-H229 PolarHBondContact ND2-CE1 3.47Å; N227-H229 PolarHBondContact ND2-ND1 3.41Å | ||
| 228 | I | 34.1 | Very low | 34 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 86% | 0.862 | 82% | 0.815 | S | S | * | * | trans | -96.5 | 115 | 163.2 | -69.7 | -166.3 | 0 | 0 | 0 | 107.9 | ||||
| 229 | H | 35.4 | Very low | 33.9 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | trans | -89.5 | 132.1 | 176.8 | -77.5 | 84.3 | 0 | 0 | 0 | 111.8 | N227 | N227-H229 PolarHBondContact ND2-CE1 3.47Å; N227-H229 PolarHBondContact ND2-ND1 3.41Å | ||
| 230 | M | 33.7 | Very low | 34.1 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 98% | 0.98 | 80% | 0.804 | S | S | * | * | trans | -169.9 | 124.8 | 147.1 | -124.5 | -178.7 | -168.2 | 0 | 0 | 106 | ||||
| 231 | G | 30.8 | Very low | 34.3 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | 173.8 | 124.1 | -4.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 232 | S | 33.1 | Very low | 35.2 | Very low | 129 Ų | 129 | 142 Ų | 142 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | 60.7 | 114.1 | 161.5 | -106.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 233 | R | 29.8 | Very low | 36.4 | Very low | 246 Ų | 246 | 136.9 Ų | 136.9 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | -177.3 | 133.5 | 85.1 | -147.4 | 162.2 | 122.3 | 176.5 | -1.1 | 109.7 | |||||
| 234 | A | 34.3 | Very low | 38.5 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -66 | 142.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 235 | E | 28.6 | Very low | 40.9 | Very low | 182 Ų | 182 | 120.9 Ų | 120.9 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | trans | -174 | 128 | 130.9 | -89 | -99 | 119.4 | 0 | 0 | 110 | ||||
| 236 | S | 29.9 | Very low | 43.2 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | trans | 46.2 | 95.8 | 155 | -73.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 237 | G | 34.8 | Very low | 45.7 | Very low | 69 Ų | 69 | 109.5 Ų | 109.5 | 71% | 0.711 | 63% | 0.632 | S | S | * | * | 52.1 | 105.9 | 118.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 238 | K | 32.1 | Very low | 48.4 | Very low | 193 Ų | 193 | 106.9 Ų | 106.9 | 84% | 0.839 | 62% | 0.622 | S | S | * | * | 165.1 | 81.4 | 129.4 | -87.9 | 159.9 | -169.4 | 174.5 | 0 | 109.3 | K240 | K238-K240 PolarHBondContact O-N 2.8Å; K238-K240 VanDerWaalsContact O-N 3.08Å | |||
| 239 | S | 36.8 | Very low | 50.9 | Low | 129 Ų | 129 | 98.9 Ų | 98.9 | 90% | 0.902 | 58% | 0.581 | S | S | * | * | trans | -75.7 | 89.8 | 163.3 | 52 | 0 | 0 | 0 | 0 | 109 | ||||
| 240 | K | 41.7 | Very low | 53.3 | Low | 129 Ų | 129 | 96 Ų | 96 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | trans | -108.7 | 122.7 | 165 | -84.6 | -172.3 | 177.6 | -179.8 | 0 | 107.8 | K238 Y242 | K238-K240 PolarHBondContact O-N 2.8Å; K238-K240 VanDerWaalsContact O-N 3.08Å; K240-Y242 HydrophobicContact CB-CD2 3.59Å; K240-Y242 HydrophobicContact CB-CE1 4.29Å; K240-Y242 HydrophobicContact CB-CE2 3.28Å; K240-Y242 HydrophobicContact CB-CG 4.24Å; K240-Y242 HydrophobicContact CD-CE1 4.34Å; K240-Y242 HydrophobicContact CD-CE2 3.71Å; K240-Y242 VanDerWaalsContact CD-CZ 3.46Å; K240-Y242 WeakPolarHBondContact CD-OH 3.1Å; K240-Y242 HydrophobicContact CG-CE2 4.12Å; K240-Y242 WeakPolarHBondContact O-CD2 3.45Å; K240-Y242 PolarHBondContact O-N 2.81Å | ||
| 241 | G | 47.3 | Very low | 55.6 | Low | 90 Ų | 90 | 92.3 Ų | 92.3 | 93% | 0.928 | 55% | 0.548 | S | S | * | . | trans | -64.1 | 79.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 242 | Y | 53.6 | Low | 58.2 | Low | 66 Ų | 66 | 90 Ų | 90 | 26% | 0.259 | 52% | 0.521 | S | S | . | . | trans | -101.9 | 81.8 | 176.8 | -70.2 | -48 | 0 | 0 | 0 | 108.7 | K240 R285 | K240-Y242 HydrophobicContact CB-CD2 3.59Å; K240-Y242 HydrophobicContact CB-CE1 4.29Å; K240-Y242 HydrophobicContact CB-CE2 3.28Å; K240-Y242 HydrophobicContact CB-CG 4.24Å; K240-Y242 HydrophobicContact CD-CE1 4.34Å; K240-Y242 HydrophobicContact CD-CE2 3.71Å; K240-Y242 VanDerWaalsContact CD-CZ 3.46Å; K240-Y242 WeakPolarHBondContact CD-OH 3.1Å; K240-Y242 HydrophobicContact CG-CE2 4.12Å; K240-Y242 WeakPolarHBondContact O-CD2 3.45Å; K240-Y242 PolarHBondContact O-N 2.81Å; Y242-R285 WeakPolarHBondContact CB-O 3.48Å; Y242-R285 HydrophobicContact CD1-CB 3.75Å; Y242-R285 HydrophobicContact CD1-CG 4.34Å; Y242-R285 HydrophobicContact CE1-CB 4.26Å; Y242-R285 HydrophobicContact CE1-CG 4.39Å; Y242-R285 HydrophobicContact CG-CB 4.38Å; Y242-R285 PolarHBondContact OH-NH1 3Å | ||
| 243 | S | 63.1 | Low | 60.7 | Low | 72 Ų | 72 | 88.1 Ų | 88.1 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | trans | -93.8 | 98.5 | 170.1 | 88 | 0 | 0 | 0 | 0 | 109.6 | T245 | S243-T245 PolarHBondContact O-N 3.32Š| ||
| 244 | C | 81.2 | Confident | 63.4 | Low | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.014 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 107.9 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | L249 Q284 F286 T310 Q311 | C244-L249 VanDerWaalsContact SG-CG 3.56Å; C244-Q284 PolarHBondContact SG-O 3.47Å; C244-F286 HydrophobicContact CB-CB 3.65Å; C244-F286 HydrophobicContact CB-CD1 3.81Å; C244-F286 HydrophobicContact CB-CG 4.16Å; C244-T310 HydrophobicContact CB-CG2 4.29Å; C244-T310 CarbonylContact O-C 3.58Å; C244-T310 WeakPolarHBondContact O-CA 3.44Å; C244-T310 WeakPolarHBondContact O-CB 3.46Å; C244-Q311 PolarHBondContact O-N 3.45Å |
| 245 | T | 86.4 | Confident | 66 | Low | 15 Ų | 15 | 78.9 Ų | 78.9 | 9% | 0.092 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 160.8 | 177.8 | 73.9 | 0 | 0 | 0 | 0 | 111.1 | S243 D247 S248 L249 Q311 | S243-T245 PolarHBondContact O-N 3.32Å; T245-D247 PolarHBondContact O-N 3.33Å; T245-D247 PolarHBondContact OG1-N 3.09Å; T245-S248 VanDerWaalsContact O-CB 3.3Å; T245-S248 WeakPolarHBondContact O-CB 3.49Å; T245-S248 PolarHBondContact O-N 3.28Å; T245-S248 VanDerWaalsContact O-N 3.07Å; T245-S248 PolarHBondContact OG1-N 2.83Å; T245-S248 VanDerWaalsContact OG1-N 3.11Å; T245-S248 PolarHBondContact OG1-OG 3.18Å; T245-L249 PolarHBondContact O-N 2.81Å; T245-L249 VanDerWaalsContact O-N 3.08Å; T245-Q311 HydrophobicContact CG2-CB 4.3Å |
| 246 | W | 84.1 | Confident | 68.9 | Low | 23 Ų | 23 | 73.1 Ų | 73.1 | 9% | 0.087 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -56.6 | -35 | 172.9 | -63.2 | 121.8 | 0 | 0 | 0 | 113.7 | L249 R250 Y337 L338 M341 | W246-L249 HydrophobicContact CE3-CD1 3.57Å; W246-L249 HydrophobicContact CH2-CD1 4.48Å; W246-L249 HydrophobicContact CZ3-CD1 3.46Å; W246-L249 VanDerWaalsContact CZ3-CD1 3.46Å; W246-L249 PolarHBondContact O-N 2.83Å; W246-R250 PolarHBondContact O-N 3.43Å; W246-R250 VanDerWaalsContact O-N 3.1Å; W246-Y337 AromaticContact CH2-CD1 3.65Å; W246-Y337 HydrophobicContact CH2-CD1 3.65Å; W246-Y337 AromaticContact CH2-CE1 2.95Å; W246-Y337 HydrophobicContact CH2-CE1 2.95Å; W246-Y337 AromaticContact CH2-CZ 3.57Å; W246-Y337 HydrophobicContact CZ2-CD1 4.35Å; W246-Y337 AromaticContact CZ2-CE1 3.25Å; W246-Y337 HydrophobicContact CZ2-CE1 3.25Å; W246-Y337 AromaticContact CZ2-CZ 3.48Å; W246-Y337 VanDerWaalsContact CZ2-CZ 3.48Å; W246-Y337 WeakPolarHBondContact CZ2-OH 3.44Å; W246-Y337 HydrophobicContact CZ3-CD1 4.41Å; W246-Y337 AromaticContact CZ3-CE1 3.97Å; W246-Y337 HydrophobicContact CZ3-CE1 3.97Å; W246-L338 HydrophobicContact CH2-CD2 4.3Å; W246-L338 HydrophobicContact CZ3-CD2 4.04Å; W246-M341 HydrophobicContact CB-CE 4.23Å; W246-M341 HydrophobicContact CD2-CB 3.91Å; W246-M341 HydrophobicContact CD2-CE 3.21Å; W246-M341 HydrophobicContact CD2-CG 4Å; W246-M341 HydrophobicContact CD2-SD 4.46Å; W246-M341 VanDerWaalsContact CE2-CE 3.43Å; W246-M341 HydrophobicContact CE3-CB 3.04Å; W246-M341 HydrophobicContact CE3-CE 3.69Å; W246-M341 HydrophobicContact CE3-CG 3.47Å; W246-M341 VanDerWaalsContact CE3-CG 3.47Å; W246-M341 HydrophobicContact CE3-SD 4.45Å; W246-M341 HydrophobicContact CG-CE 3.44Å; W246-M341 VanDerWaalsContact CG-CE 3.44Å; W246-M341 HydrophobicContact CH2-CB 4.13Å; W246-M341 HydrophobicContact CH2-CG 3.78Å; W246-M341 HydrophobicContact CZ2-CE 4.14Å; W246-M341 HydrophobicContact CZ2-CG 4.23Å; W246-M341 HydrophobicContact CZ3-CB 3.16Å; W246-M341 HydrophobicContact CZ3-CE 4.32Å; W246-M341 HydrophobicContact CZ3-CG 3.32Å |
| 247 | D | 79.8 | Confident | 71.8 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.3 | -32.4 | 178.6 | -58.1 | -45.2 | 0 | 0 | 0 | 111.4 | T245 R250 N251 | T245-D247 PolarHBondContact O-N 3.33Å; T245-D247 PolarHBondContact OG1-N 3.09Å; D247-R250 IonicContact OD1-CZ 3.63Å; D247-R250 IonicContact OD1-NE 3.52Å; D247-R250 IonicContact OD1-NH2 2.84Å; D247-R250 PolarHBondContact OD1-NH2 3.08Å; D247-N251 WeakPolarHBondContact O-CB 3.27Å; D247-N251 PolarHBondContact O-N 2.83Å; D247-N251 PolarHBondContact O-ND2 2.93Å |
| 248 | S | 85.9 | Confident | 74.3 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 169.8 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | T245 R250 N251 S252 | T245-S248 VanDerWaalsContact O-CB 3.3Å; T245-S248 WeakPolarHBondContact O-CB 3.49Å; T245-S248 PolarHBondContact O-N 3.28Å; T245-S248 VanDerWaalsContact O-N 3.07Å; T245-S248 PolarHBondContact OG1-N 2.83Å; T245-S248 VanDerWaalsContact OG1-N 3.11Å; T245-S248 PolarHBondContact OG1-OG 3.18Å; S248-R250 PolarHBondContact O-N 2.98Å; S248-N251 PolarHBondContact O-N 3.25Å; S248-S252 VanDerWaalsContact O-CB 3.22Å; S248-S252 WeakPolarHBondContact O-CB 3.35Å; S248-S252 PolarHBondContact O-N 3.07Å |
| 249 | L | 85.6 | Confident | 77 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | -179.6 | -72.2 | 166.3 | 0 | 0 | 0 | 113.1 | C244 T245 W246 I257 Q284 L338 A342 | C244-L249 VanDerWaalsContact SG-CG 3.56Å; T245-L249 PolarHBondContact O-N 2.81Å; T245-L249 VanDerWaalsContact O-N 3.08Å; W246-L249 HydrophobicContact CE3-CD1 3.57Å; W246-L249 HydrophobicContact CH2-CD1 4.48Å; W246-L249 HydrophobicContact CZ3-CD1 3.46Å; W246-L249 VanDerWaalsContact CZ3-CD1 3.46Å; W246-L249 PolarHBondContact O-N 2.83Å; L249-I257 HydrophobicContact CD2-CD1 4.02Å; L249-Q284 HydrophobicContact CD2-CB 3.98Å; L249-Q284 HydrophobicContact CD2-CG 3.77Å; L249-L338 HydrophobicContact CD1-CD2 3.66Å; L249-A342 HydrophobicContact CB-CB 4.28Å |
| 250 | R | 86.8 | Confident | 79.4 | Confident | 91 Ų | 91 | 57.1 Ų | 57.1 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 178.6 | -79.3 | -171.6 | -86 | -108.9 | 5.1 | 113.4 | W246 D247 S248 S252 R261 M341 | W246-R250 PolarHBondContact O-N 3.43Å; W246-R250 VanDerWaalsContact O-N 3.1Å; D247-R250 IonicContact OD1-CZ 3.63Å; D247-R250 IonicContact OD1-NE 3.52Å; D247-R250 IonicContact OD1-NH2 2.84Å; D247-R250 PolarHBondContact OD1-NH2 3.08Å; S248-R250 PolarHBondContact O-N 2.98Å; R250-S252 VanDerWaalsContact C-N 3.34Å; R250-R261 PolarHBondContact O-NH1 2.78Å; R250-R261 VanDerWaalsContact O-NH1 3.13Å; R250-M341 WeakPolarHBondContact CG-O 3.22Å; R250-M341 PolarHBondContact NH1-O 3.08Å |
| 251 | N | 82.1 | Confident | 81.6 | Confident | 121 Ų | 121 | 55.5 Ų | 55.5 | 65% | 0.647 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -90.7 | -0.7 | -176 | -63.7 | -51.1 | 0 | 0 | 0 | 113.1 | D247 S248 A253 | D247-N251 WeakPolarHBondContact O-CB 3.27Å; D247-N251 PolarHBondContact O-N 2.83Å; D247-N251 PolarHBondContact O-ND2 2.93Å; S248-N251 PolarHBondContact O-N 3.25Å; N251-A253 PolarHBondContact O-N 3.2Å |
| 252 | S | 85.8 | Confident | 83.2 | Confident | 25 Ų | 25 | 55 Ų | 55 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -70.5 | 129.6 | -178.1 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | S248 R250 G254 Q284 | S248-S252 VanDerWaalsContact O-CB 3.22Å; S248-S252 WeakPolarHBondContact O-CB 3.35Å; S248-S252 PolarHBondContact O-N 3.07Å; R250-S252 VanDerWaalsContact C-N 3.34Å; S252-G254 VanDerWaalsContact C-N 3.33Å; S252-G254 PolarHBondContact OG-N 2.85Å; S252-Q284 VanDerWaalsContact OG-CD 3.23Å; S252-Q284 PolarHBondContact OG-NE2 3.11Å; S252-Q284 PolarHBondContact OG-OE1 3.38Å | ||
| 253 | A | 84.9 | Confident | 84.4 | Confident | 90 Ų | 90 | 57.6 Ų | 57.6 | 74% | 0.744 | 31% | 0.313 | S | S | * | . | trans | -96.1 | 17.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N251 | N251-A253 PolarHBondContact O-N 3.2Š| ||
| 254 | G | 86.8 | Confident | 85 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | trans | -64.6 | 146.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S252 K256 I257 L258 E283 | S252-G254 VanDerWaalsContact C-N 3.33Å; S252-G254 PolarHBondContact OG-N 2.85Å; G254-K256 PolarHBondContact O-N 3.47Å; G254-I257 WeakPolarHBondContact O-CG2 3.33Å; G254-L258 WeakPolarHBondContact O-CB 3.45Å; G254-L258 WeakPolarHBondContact O-CD1 3.34Å; G254-L258 WeakPolarHBondContact O-CG 3.42Å; G254-L258 PolarHBondContact O-N 2.88Å; G254-L258 VanDerWaalsContact O-N 3.08Å; G254-E283 VanDerWaalsContact CA-CD 3.47Å; G254-E283 WeakPolarHBondContact CA-OE1 3.4Å; G254-E283 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 255 | E | 89.2 | Confident | 84.9 | Confident | 130 Ų | 130 | 61 Ų | 61 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | -178.3 | -169.3 | -172.3 | 158 | 0 | 0 | 111 | L258 Q259 E283 | E255-L258 PolarHBondContact O-N 3.42Å; E255-Q259 WeakPolarHBondContact O-CB 3.27Å; E255-Q259 VanDerWaalsContact O-CG 3.3Å; E255-Q259 WeakPolarHBondContact O-CG 3.41Å; E255-Q259 PolarHBondContact O-N 2.84Å; E255-Q259 PolarHBondContact OE1-NE2 3.38Å; E255-Q259 VanDerWaalsContact OE1-NE2 3.08Å; E255-E283 PolarHBondContact N-OE2 2.84Å |
| 256 | K | 89.9 | Confident | 84 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.7 | -41.8 | -176.8 | -57.3 | -68.4 | -179 | 157.3 | 0 | 111.6 | G254 L258 Q259 L260 D279 L280 E283 | G254-K256 PolarHBondContact O-N 3.47Å; K256-L258 VanDerWaalsContact C-N 3.35Å; K256-Q259 PolarHBondContact O-N 2.7Å; K256-L260 WeakPolarHBondContact O-CB 3.43Å; K256-L260 PolarHBondContact O-N 2.69Å; K256-D279 HydrophobicContact CD-CB 4.24Å; K256-D279 HydrophobicContact CG-CB 4.37Å; K256-D279 IonicContact NZ-OD2 2.79Å; K256-D279 PolarHBondContact NZ-OD2 3.5Å; K256-L280 HydrophobicContact CB-CD1 3.84Å; K256-E283 WeakPolarHBondContact CB-OE1 3.37Å; K256-E283 WeakPolarHBondContact CG-OE2 3.49Å; K256-E283 PolarHBondContact N-OE1 2.98Å; K256-E283 PolarHBondContact N-OE2 3.31Å |
| 257 | I | 89.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67 | -35.4 | 175.6 | -167.2 | 67.2 | 0 | 0 | 0 | 112 | L249 G254 L260 R261 L280 E283 Q284 A342 | L249-I257 HydrophobicContact CD2-CD1 4.02Å; G254-I257 WeakPolarHBondContact O-CG2 3.33Å; I257-L260 HydrophobicContact CD1-CD2 4.25Å; I257-L260 PolarHBondContact O-N 2.98Å; I257-R261 VanDerWaalsContact O-CG 3.23Å; I257-R261 WeakPolarHBondContact O-CG 3.15Å; I257-R261 PolarHBondContact O-N 3.31Å; I257-L280 HydrophobicContact CB-CD1 3.9Å; I257-L280 HydrophobicContact CD1-CD1 4.01Å; I257-E283 PolarHBondContact N-OE1 2.86Å; I257-Q284 VanDerWaalsContact CG2-NE2 3.29Å; I257-A342 HydrophobicContact CD1-CB 3.76Å; I257-A342 HydrophobicContact CG1-CB 4.16Å |
| 258 | L | 88.5 | Confident | 82.3 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 174.6 | -72.2 | 172.9 | 0 | 0 | 0 | 111.8 | G254 E255 K256 R261 S262 | G254-L258 WeakPolarHBondContact O-CB 3.45Å; G254-L258 WeakPolarHBondContact O-CD1 3.34Å; G254-L258 WeakPolarHBondContact O-CG 3.42Å; G254-L258 PolarHBondContact O-N 2.88Å; G254-L258 VanDerWaalsContact O-N 3.08Å; E255-L258 PolarHBondContact O-N 3.42Å; K256-L258 VanDerWaalsContact C-N 3.35Å; L258-R261 PolarHBondContact O-N 2.97Å; L258-S262 WeakPolarHBondContact O-CB 3.3Å; L258-S262 PolarHBondContact O-N 2.84Å; L258-S262 PolarHBondContact O-OG 2.87Å |
| 259 | Q | 87.2 | Confident | 81 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 36% | 0.36 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 172.9 | -77.1 | 174.9 | 2 | 0 | 0 | 111.4 | E255 K256 R261 S262 H263 | E255-Q259 WeakPolarHBondContact O-CB 3.27Å; E255-Q259 VanDerWaalsContact O-CG 3.3Å; E255-Q259 WeakPolarHBondContact O-CG 3.41Å; E255-Q259 PolarHBondContact O-N 2.84Å; E255-Q259 PolarHBondContact OE1-NE2 3.38Å; E255-Q259 VanDerWaalsContact OE1-NE2 3.08Å; K256-Q259 PolarHBondContact O-N 2.7Å; Q259-R261 VanDerWaalsContact C-N 3.3Å; Q259-R261 PolarHBondContact O-N 2.88Å; Q259-S262 WeakPolarHBondContact CA-OG 3.44Å; Q259-S262 PolarHBondContact O-N 3.49Å; Q259-S262 PolarHBondContact O-OG 2.83Å; Q259-S262 VanDerWaalsContact O-OG 3.09Å; Q259-H263 PolarHBondContact O-N 3.1Å; Q259-H263 VanDerWaalsContact O-N 3.08Å; Q259-H263 PolarHBondContact O-ND1 2.87Å |
| 260 | L | 88.9 | Confident | 79.7 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 176.9 | -177.6 | 65.4 | 0 | 0 | 0 | 112.2 | K256 I257 L265 L280 L335 L338 K339 | K256-L260 WeakPolarHBondContact O-CB 3.43Å; K256-L260 PolarHBondContact O-N 2.69Å; I257-L260 HydrophobicContact CD1-CD2 4.25Å; I257-L260 PolarHBondContact O-N 2.98Å; L260-L265 HydrophobicContact CD1-CD1 4Å; L260-L265 HydrophobicContact CD1-CD2 3.77Å; L260-L265 HydrophobicContact CD1-CG 4.07Å; L260-L280 HydrophobicContact CD2-CD2 3.66Å; L260-L335 HydrophobicContact CD1-CB 4.27Å; L260-L335 HydrophobicContact CD1-CD2 4.24Å; L260-L335 HydrophobicContact CD2-CD2 4.3Å; L260-L338 HydrophobicContact CD2-CB 4.13Å; L260-K339 HydrophobicContact CD1-CB 4.29Å; L260-K339 HydrophobicContact CD2-CB 4.15Å; L260-K339 HydrophobicContact CG-CB 3.93Å; L260-K339 HydrophobicContact CG-CG 4.35Å; L260-K339 VanDerWaalsContact O-CD 3.22Å; L260-K339 WeakPolarHBondContact O-CD 3.4Å; L260-K339 WeakPolarHBondContact O-CE 3.42Å; L260-K339 PolarHBondContact O-NZ 3.5Å |
| 261 | R | 86.6 | Confident | 78.6 | Confident | 95 Ų | 95 | 75 Ų | 75 | 36% | 0.358 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 178 | -72.9 | 167.8 | 65.5 | 166.1 | 5.3 | 112.4 | R250 I257 L258 Q259 K339 A342 | R250-R261 PolarHBondContact O-NH1 2.78Å; R250-R261 VanDerWaalsContact O-NH1 3.13Å; I257-R261 VanDerWaalsContact O-CG 3.23Å; I257-R261 WeakPolarHBondContact O-CG 3.15Å; I257-R261 PolarHBondContact O-N 3.31Å; L258-R261 PolarHBondContact O-N 2.97Å; Q259-R261 VanDerWaalsContact C-N 3.3Å; Q259-R261 PolarHBondContact O-N 2.88Å; R261-K339 WeakPolarHBondContact O-CE 3.38Å; R261-A342 HydrophobicContact CG-CB 4.24Å |
| 262 | S | 82.3 | Confident | 78.6 | Confident | 78 Ų | 78 | 76 Ų | 76 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76.9 | -30 | -172.7 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | L258 Q259 | L258-S262 WeakPolarHBondContact O-CB 3.3Å; L258-S262 PolarHBondContact O-N 2.84Å; L258-S262 PolarHBondContact O-OG 2.87Å; Q259-S262 WeakPolarHBondContact CA-OG 3.44Å; Q259-S262 PolarHBondContact O-N 3.49Å; Q259-S262 PolarHBondContact O-OG 2.83Å; Q259-S262 VanDerWaalsContact O-OG 3.09Å |
| 263 | H | 78.9 | Confident | 78.9 | Confident | 121 Ų | 121 | 75 Ų | 75 | 56% | 0.56 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -110.3 | 133 | -174.3 | -62.9 | 80.6 | 0 | 0 | 0 | 112.1 | Q259 L265 K339 | Q259-H263 PolarHBondContact O-N 3.1Å; Q259-H263 VanDerWaalsContact O-N 3.08Å; Q259-H263 PolarHBondContact O-ND1 2.87Å; H263-L265 PolarHBondContact O-N 2.84Å; H263-K339 VanDerWaalsContact C-NZ 3.34Å; H263-K339 PolarHBondContact O-NZ 3.49Å |
| 264 | P | 74.6 | Confident | 79.2 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 71% | 0.714 | 41% | 0.41 | S | S | * | . | trans | -61.3 | 135.5 | 169.6 | 26 | -31 | 0 | 0 | 0 | 109.8 | G266 | P264-G266 PolarHBondContact O-N 3.38Š| ||
| 265 | L | 78.1 | Confident | 79.5 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 19% | 0.194 | 43% | 0.425 | C | S | . | . | trans | -68 | 124.8 | 171.8 | -70.3 | 165.4 | 0 | 0 | 0 | 107.7 | L260 H263 F273 L276 L335 Q336 | L260-L265 HydrophobicContact CD1-CD1 4Å; L260-L265 HydrophobicContact CD1-CD2 3.77Å; L260-L265 HydrophobicContact CD1-CG 4.07Å; H263-L265 PolarHBondContact O-N 2.84Å; L265-F273 HydrophobicContact CD2-CE1 4.17Å; L265-L276 HydrophobicContact CD2-CD2 4.33Å; L265-L335 HydrophobicContact CD1-CB 3.79Å; L265-L335 HydrophobicContact CD2-CB 4.37Å; L265-Q336 HydrophobicContact CD1-CB 4.23Å; L265-Q336 HydrophobicContact CD1-CG 3.54Å | ||
| 266 | G | 68.6 | Low | 79.6 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 44% | 0.443 | 41% | 0.409 | S | S | . | . | trans | -70.2 | -177.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P264 H332 | P264-G266 PolarHBondContact O-N 3.38Å; G266-H332 PolarHBondContact O-NE2 3.08Å | ||
| 267 | M | 67.4 | Low | 79.8 | Confident | 136 Ų | 136 | 68.8 Ų | 68.8 | 67% | 0.67 | 40% | 0.396 | S | S | * | . | trans | -61.6 | 147.9 | 177.5 | -78.9 | -91.1 | 91.4 | 0 | 0 | 111.7 | S269 D270 | M267-S269 PolarHBondContact O-N 3.05Å; M267-D270 PolarHBondContact O-N 3.23Å | ||
| 268 | P | 59.7 | Low | 80.1 | Confident | 41 Ų | 41 | 72 Ų | 72 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -18.7 | -178.5 | -28.1 | 34.4 | 0 | 0 | 0 | 115.9 | F273 | P268-F273 VanDerWaalsContact CA-CE2 3.45Š|
| 269 | S | 59.4 | Low | 80.3 | Confident | 105 Ų | 105 | 71 Ų | 71 | 73% | 0.734 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -19.3 | -170.2 | -44.4 | 0 | 0 | 0 | 0 | 114.6 | M267 | M267-S269 PolarHBondContact O-N 3.05Š|
| 270 | D | 57.8 | Low | 80.6 | Confident | 135 Ų | 135 | 67.4 Ų | 67.4 | 72% | 0.722 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -116.6 | 8.5 | -163.1 | -60.8 | -35.5 | 0 | 0 | 0 | 114.1 | M267 | M267-D270 PolarHBondContact O-N 3.23Š|
| 271 | S | 64 | Low | 80.9 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -150.5 | 143.1 | -173.9 | -70.5 | 0 | 0 | 0 | 0 | 114.2 | F273 | S271-F273 WeakPolarHBondContact O-CD2 3.27Å; S271-F273 WeakPolarHBondContact O-CE2 3.48Å; S271-F273 PolarHBondContact O-N 3.3Å |
| 272 | N | 83.4 | Confident | 81.2 | Confident | 140 Ų | 140 | 66.5 Ų | 66.5 | 75% | 0.749 | 41% | 0.41 | S | S | * | . | trans | -76 | 69.4 | 178.7 | -71.1 | -58.5 | 0 | 0 | 0 | 111.2 | C274 S275 L276 | N272-C274 VanDerWaalsContact C-N 3.27Å; N272-C274 PolarHBondContact O-N 3.46Å; N272-S275 WeakPolarHBondContact O-CB 3.32Å; N272-S275 PolarHBondContact O-N 2.63Å; N272-L276 PolarHBondContact O-N 2.85Å; N272-L276 VanDerWaalsContact O-N 3.12Å | ||
| 273 | F | 90.4 | Very high | 81.7 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.9 | -33.6 | -176.6 | -64 | -69.4 | 0 | 0 | 0 | 113.5 | L265 P268 S271 S275 L276 L277 A331 H332 L335 | L265-F273 HydrophobicContact CD2-CE1 4.17Å; P268-F273 VanDerWaalsContact CA-CE2 3.45Å; S271-F273 WeakPolarHBondContact O-CD2 3.27Å; S271-F273 WeakPolarHBondContact O-CE2 3.48Å; S271-F273 PolarHBondContact O-N 3.3Å; F273-S275 VanDerWaalsContact C-N 3.32Å; F273-S275 PolarHBondContact O-N 2.74Å; F273-L276 PolarHBondContact O-N 3.43Å; F273-L277 WeakPolarHBondContact O-CB 3.3Å; F273-L277 PolarHBondContact O-N 3.39Å; F273-A331 HydrophobicContact CB-CB 4.04Å; F273-H332 HydrophobicContact CB-CB 4.24Å; F273-H332 HydrophobicContact CD1-CB 4.12Å; F273-H332 AromaticContact CD1-CD2 3.91Å; F273-H332 HydrophobicContact CD2-CB 3.98Å; F273-H332 AromaticContact CE1-CD2 3.51Å; F273-H332 HydrophobicContact CE2-CB 4.42Å; F273-H332 HydrophobicContact CG-CB 3.82Å; F273-H332 AromaticContact CZ-CD2 3.6Å; F273-L335 HydrophobicContact CB-CD1 4.07Å; F273-L335 HydrophobicContact CD1-CD1 3.9Å; F273-L335 HydrophobicContact CG-CD1 4.48Å |
| 274 | C | 92.1 | Very high | 82.3 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 174.1 | -59 | 0 | 0 | 0 | 0 | 111.7 | N272 S278 | N272-C274 VanDerWaalsContact C-N 3.27Å; N272-C274 PolarHBondContact O-N 3.46Å; C274-S278 WeakPolarHBondContact O-CB 3.29Å; C274-S278 PolarHBondContact O-N 2.86Å |
| 275 | S | 92.3 | Very high | 83 | Confident | 67 Ų | 67 | 61 Ų | 61 | 47% | 0.469 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 176.8 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | N272 F273 L277 S278 D279 | N272-S275 WeakPolarHBondContact O-CB 3.32Å; N272-S275 PolarHBondContact O-N 2.63Å; F273-S275 VanDerWaalsContact C-N 3.32Å; F273-S275 PolarHBondContact O-N 2.74Å; S275-L277 PolarHBondContact O-N 3.1Å; S275-S278 PolarHBondContact O-N 2.82Å; S275-D279 PolarHBondContact O-N 3.47Å |
| 276 | L | 92.5 | Very high | 83.8 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.4 | -178.8 | 59.8 | 0 | 0 | 0 | 111.9 | L265 N272 F273 D279 L280 L335 | L265-L276 HydrophobicContact CD2-CD2 4.33Å; N272-L276 PolarHBondContact O-N 2.85Å; N272-L276 VanDerWaalsContact O-N 3.12Å; F273-L276 PolarHBondContact O-N 3.43Å; L276-D279 PolarHBondContact O-N 3.48Å; L276-L280 WeakPolarHBondContact O-CB 3.05Å; L276-L280 PolarHBondContact O-N 3.27Å; L276-L335 HydrophobicContact CB-CD1 4.14Å; L276-L335 HydrophobicContact CD2-CD1 3.92Å; L276-L335 HydrophobicContact CD2-CD2 4.5Å; L276-L335 HydrophobicContact CG-CD1 4.06Å; L276-L335 HydrophobicContact CG-CD2 4.21Å |
| 277 | L | 94.6 | Very high | 85 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 175.7 | -176.8 | 60.1 | 0 | 0 | 0 | 111.5 | F273 S275 L280 S281 F286 V288 V306 L308 A331 A334 L335 L338 | F273-L277 WeakPolarHBondContact O-CB 3.3Å; F273-L277 PolarHBondContact O-N 3.39Å; S275-L277 PolarHBondContact O-N 3.1Å; L277-L280 PolarHBondContact O-N 2.94Å; L277-S281 VanDerWaalsContact O-CB 3.3Å; L277-S281 WeakPolarHBondContact O-CB 3.22Å; L277-S281 PolarHBondContact O-N 3.23Å; L277-S281 PolarHBondContact O-OG 3.45Å; L277-F286 HydrophobicContact CD1-CE2 4.25Å; L277-F286 HydrophobicContact CD1-CZ 4.27Å; L277-V288 HydrophobicContact CD2-CG1 3.94Å; L277-V288 HydrophobicContact CG-CG1 4.34Å; L277-V288 HydrophobicContact CG-CG2 4.15Å; L277-V306 HydrophobicContact CD2-CG2 4.12Å; L277-L308 HydrophobicContact CD1-CD2 4.24Å; L277-L308 HydrophobicContact CD2-CD2 4.15Å; L277-A331 HydrophobicContact CB-CB 4.46Å; L277-A331 HydrophobicContact CD2-CB 3.93Å; L277-A334 HydrophobicContact CD1-CB 4.4Å; L277-A334 HydrophobicContact CD2-CB 3.9Å; L277-L335 HydrophobicContact CB-CD1 4.3Å; L277-L335 HydrophobicContact CB-CD2 4.19Å; L277-L335 HydrophobicContact CB-CG 4.12Å; L277-L335 HydrophobicContact CD1-CD2 3.98Å; L277-L335 HydrophobicContact CD1-CG 4.17Å; L277-L338 HydrophobicContact CD1-CD1 3.74Å |
| 278 | S | 94.3 | Very high | 86.3 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 47% | 0.469 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 174 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | C274 S275 L280 S281 A282 | C274-S278 WeakPolarHBondContact O-CB 3.29Å; C274-S278 PolarHBondContact O-N 2.86Å; S275-S278 PolarHBondContact O-N 2.82Å; S278-L280 VanDerWaalsContact C-N 3.3Å; S278-L280 PolarHBondContact O-N 3Å; S278-S281 PolarHBondContact O-N 2.88Å; S278-S281 PolarHBondContact O-OG 2.88Å; S278-A282 PolarHBondContact O-N 3.4Å |
| 279 | D | 94.2 | Very high | 88.1 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.1 | -46.5 | 175.6 | -78.9 | 4.7 | 0 | 0 | 0 | 111.4 | K256 S275 L276 A282 E283 | K256-D279 HydrophobicContact CD-CB 4.24Å; K256-D279 HydrophobicContact CG-CB 4.37Å; K256-D279 IonicContact NZ-OD2 2.79Å; K256-D279 PolarHBondContact NZ-OD2 3.5Å; S275-D279 PolarHBondContact O-N 3.47Å; L276-D279 PolarHBondContact O-N 3.48Å; D279-A282 PolarHBondContact O-N 3.49Å; D279-E283 PolarHBondContact O-N 3.13Å |
| 280 | L | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | -179.6 | -170.2 | 68.5 | 0 | 0 | 0 | 111.8 | K256 I257 L260 L276 L277 S278 A282 E283 Q284 F286 L335 L338 | K256-L280 HydrophobicContact CB-CD1 3.84Å; I257-L280 HydrophobicContact CB-CD1 3.9Å; I257-L280 HydrophobicContact CD1-CD1 4.01Å; L260-L280 HydrophobicContact CD2-CD2 3.66Å; L276-L280 WeakPolarHBondContact O-CB 3.05Å; L276-L280 PolarHBondContact O-N 3.27Å; L277-L280 PolarHBondContact O-N 2.94Å; S278-L280 VanDerWaalsContact C-N 3.3Å; S278-L280 PolarHBondContact O-N 3Å; L280-A282 VanDerWaalsContact C-N 3.34Å; L280-A282 PolarHBondContact O-N 3.37Å; L280-E283 PolarHBondContact O-N 3.48Å; L280-Q284 HydrophobicContact CD1-CG 3.92Å; L280-Q284 HydrophobicContact CG-CG 4.14Å; L280-Q284 VanDerWaalsContact O-CB 3.31Å; L280-Q284 WeakPolarHBondContact O-CB 3.31Å; L280-Q284 VanDerWaalsContact O-CG 3.29Å; L280-Q284 WeakPolarHBondContact O-CG 3.44Å; L280-Q284 PolarHBondContact O-N 2.8Å; L280-F286 HydrophobicContact CG-CZ 4.48Å; L280-L335 HydrophobicContact CD2-CD2 3.78Å; L280-L338 HydrophobicContact CD2-CB 4.48Å; L280-L338 HydrophobicContact CD2-CD1 3.63Å |
| 281 | S | 94.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 177.2 | 78 | 0 | 0 | 0 | 0 | 112.2 | L277 S278 R285 F286 V288 | L277-S281 VanDerWaalsContact O-CB 3.3Å; L277-S281 WeakPolarHBondContact O-CB 3.22Å; L277-S281 PolarHBondContact O-N 3.23Å; L277-S281 PolarHBondContact O-OG 3.45Å; S278-S281 PolarHBondContact O-N 2.88Å; S278-S281 PolarHBondContact O-OG 2.88Å; S281-R285 WeakPolarHBondContact O-CA 3.32Å; S281-R285 PolarHBondContact O-N 2.99Å; S281-F286 CarbonylContact C-O 3.56Å; S281-F286 VanDerWaalsContact CB-O 3.27Å; S281-F286 WeakPolarHBondContact CB-O 3.11Å; S281-F286 PolarHBondContact O-N 3.4Å; S281-F286 VanDerWaalsContact O-N 3.09Å; S281-V288 VanDerWaalsContact CB-CG2 3.45Å |
| 282 | A | 92.9 | Very high | 93.1 | Very high | 68 Ų | 68 | 54 Ų | 54 | 56% | 0.562 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.8 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S278 D279 L280 | S278-A282 PolarHBondContact O-N 3.4Å; D279-A282 PolarHBondContact O-N 3.49Å; L280-A282 VanDerWaalsContact C-N 3.34Å; L280-A282 PolarHBondContact O-N 3.37Å |
| 283 | E | 93.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -50.7 | 177.1 | -173.5 | -178.2 | 82.3 | 0 | 0 | 111.5 | G254 E255 K256 I257 D279 L280 R285 | G254-E283 VanDerWaalsContact CA-CD 3.47Å; G254-E283 WeakPolarHBondContact CA-OE1 3.4Å; G254-E283 WeakPolarHBondContact CA-OE2 3.43Å; E255-E283 PolarHBondContact N-OE2 2.84Å; K256-E283 WeakPolarHBondContact CB-OE1 3.37Å; K256-E283 WeakPolarHBondContact CG-OE2 3.49Å; K256-E283 PolarHBondContact N-OE1 2.98Å; K256-E283 PolarHBondContact N-OE2 3.31Å; I257-E283 PolarHBondContact N-OE1 2.86Å; D279-E283 PolarHBondContact O-N 3.13Å; L280-E283 PolarHBondContact O-N 3.48Å; E283-R285 VanDerWaalsContact C-N 3.33Å; E283-R285 PolarHBondContact O-N 3.16Å |
| 284 | Q | 90.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -89.1 | -0.4 | -171.9 | -57.6 | -56.2 | -39.7 | 0 | 0 | 113.7 | C244 L249 S252 I257 L280 F286 | C244-Q284 PolarHBondContact SG-O 3.47Å; L249-Q284 HydrophobicContact CD2-CB 3.98Å; L249-Q284 HydrophobicContact CD2-CG 3.77Å; S252-Q284 VanDerWaalsContact OG-CD 3.23Å; S252-Q284 PolarHBondContact OG-NE2 3.11Å; S252-Q284 PolarHBondContact OG-OE1 3.38Å; I257-Q284 VanDerWaalsContact CG2-NE2 3.29Å; L280-Q284 HydrophobicContact CD1-CG 3.92Å; L280-Q284 HydrophobicContact CG-CG 4.14Å; L280-Q284 VanDerWaalsContact O-CB 3.31Å; L280-Q284 WeakPolarHBondContact O-CB 3.31Å; L280-Q284 VanDerWaalsContact O-CG 3.29Å; L280-Q284 WeakPolarHBondContact O-CG 3.44Å; L280-Q284 PolarHBondContact O-N 2.8Å; Q284-F286 HydrophobicContact CB-CD1 3.76Å; Q284-F286 HydrophobicContact CB-CE1 3.66Å; Q284-F286 HydrophobicContact CG-CE1 4.34Å |
| 285 | R | 90.4 | Very high | 93.4 | Very high | 117 Ų | 117 | 65.3 Ų | 65.3 | 44% | 0.442 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 62.6 | 177.3 | -56.8 | -65.4 | -175 | 131.3 | -0.6 | 111.5 | Y242 S281 E283 | Y242-R285 WeakPolarHBondContact CB-O 3.48Å; Y242-R285 HydrophobicContact CD1-CB 3.75Å; Y242-R285 HydrophobicContact CD1-CG 4.34Å; Y242-R285 HydrophobicContact CE1-CB 4.26Å; Y242-R285 HydrophobicContact CE1-CG 4.39Å; Y242-R285 HydrophobicContact CG-CB 4.38Å; Y242-R285 PolarHBondContact OH-NH1 3Å; S281-R285 WeakPolarHBondContact O-CA 3.32Å; S281-R285 PolarHBondContact O-N 2.99Å; E283-R285 VanDerWaalsContact C-N 3.33Å; E283-R285 PolarHBondContact O-N 3.16Å |
| 286 | F | 93.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | trans | -133.3 | 158.3 | 161.1 | 58.7 | -92.1 | 0 | 0 | 0 | 109.7 | C244 L277 L280 S281 Q284 V288 L308 S309 T310 L338 | C244-F286 HydrophobicContact CB-CB 3.65Å; C244-F286 HydrophobicContact CB-CD1 3.81Å; C244-F286 HydrophobicContact CB-CG 4.16Å; L277-F286 HydrophobicContact CD1-CE2 4.25Å; L277-F286 HydrophobicContact CD1-CZ 4.27Å; L280-F286 HydrophobicContact CG-CZ 4.48Å; S281-F286 CarbonylContact C-O 3.56Å; S281-F286 VanDerWaalsContact CB-O 3.27Å; S281-F286 WeakPolarHBondContact CB-O 3.11Å; S281-F286 PolarHBondContact O-N 3.4Å; S281-F286 VanDerWaalsContact O-N 3.09Å; Q284-F286 HydrophobicContact CB-CD1 3.76Å; Q284-F286 HydrophobicContact CB-CE1 3.66Å; Q284-F286 HydrophobicContact CG-CE1 4.34Å; F286-V288 HydrophobicContact CD2-CG2 3.89Å; F286-V288 HydrophobicContact CE2-CG2 3.6Å; F286-L308 HydrophobicContact CD2-CB 4.16Å; F286-L308 HydrophobicContact CD2-CD2 4.49Å; F286-L308 HydrophobicContact CE2-CB 4.37Å; F286-L308 HydrophobicContact CE2-CD1 4.45Å; F286-L308 HydrophobicContact CE2-CD2 4.04Å; F286-S309 WeakPolarHBondContact CA-OG 3.34Å; F286-S309 WeakPolarHBondContact CB-OG 3.23Å; F286-T310 HydrophobicContact CB-CG2 4.48Å; F286-T310 HydrophobicContact CD1-CG2 4.48Å; F286-T310 HydrophobicContact CG-CG2 4.32Å; F286-L338 HydrophobicContact CE1-CD1 4.31Å; F286-L338 HydrophobicContact CE2-CD1 4.4Å; F286-L338 HydrophobicContact CZ-CD1 3.65Å | ||
| 287 | D | 94 | Very high | 93.2 | Very high | 87 Ų | 87 | 67.5 Ų | 67.5 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | trans | -93.2 | 148.3 | 175.2 | -62.1 | -47.5 | 0 | 0 | 0 | 110.2 | L308 S309 | D287-L308 WeakPolarHBondContact O-CA 3.33Å; D287-S309 PolarHBondContact N-OG 3.33Å; D287-S309 PolarHBondContact O-N 2.87Å | ||
| 288 | V | 95.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 76.7 Ų | 76.7 | 24% | 0.236 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.2 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | L277 S281 F286 Y290 V306 E307 L308 | L277-V288 HydrophobicContact CD2-CG1 3.94Å; L277-V288 HydrophobicContact CG-CG1 4.34Å; L277-V288 HydrophobicContact CG-CG2 4.15Å; S281-V288 VanDerWaalsContact CB-CG2 3.45Å; F286-V288 HydrophobicContact CD2-CG2 3.89Å; F286-V288 HydrophobicContact CE2-CG2 3.6Å; V288-Y290 HydrophobicContact CG1-CD2 4.21Å; V288-Y290 HydrophobicContact CG1-CE2 3.6Å; V288-V306 HydrophobicContact CG1-CG2 3.52Å; V288-E307 WeakPolarHBondContact CA-O 3.36Å; V288-L308 HydrophobicContact CG1-CD2 4.15Å; V288-L308 HydrophobicContact CG2-CD2 3.96Å |
| 289 | S | 96.4 | Very high | 92.7 | Very high | 72 Ų | 72 | 77.8 Ų | 77.8 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.7 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | V306 E307 | S289-V306 CarbonylContact O-C 3.52Å; S289-V306 WeakPolarHBondContact O-CA 3.2Å; S289-E307 PolarHBondContact N-O 2.99Å; S289-E307 PolarHBondContact O-N 3.48Å |
| 290 | Y | 96.2 | Very high | 92.6 | Very high | 61 Ų | 61 | 76.6 Ų | 76.6 | 24% | 0.239 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.8 | 176.2 | -68.6 | -89.3 | 0 | 0 | 0 | 109.8 | V288 L305 V306 R327 A331 | V288-Y290 HydrophobicContact CG1-CD2 4.21Å; V288-Y290 HydrophobicContact CG1-CE2 3.6Å; Y290-L305 WeakPolarHBondContact CA-O 3.49Å; Y290-V306 HydrophobicContact CD1-CB 3.91Å; Y290-V306 HydrophobicContact CD1-CG2 3.92Å; Y290-V306 HydrophobicContact CE1-CB 3.84Å; Y290-V306 HydrophobicContact CE1-CG2 3.64Å; Y290-V306 HydrophobicContact CE2-CG2 4.4Å; Y290-V306 HydrophobicContact CG-CG2 4.44Å; Y290-R327 HydrophobicContact CD1-CB 4.25Å; Y290-R327 HydrophobicContact CD1-CG 4.08Å; Y290-R327 HydrophobicContact CE1-CB 4.32Å; Y290-A331 HydrophobicContact CE1-CB 4.31Å; Y290-A331 WeakPolarHBondContact OH-CB 3.17Å |
| 291 | L | 96.7 | Very high | 92.7 | Very high | 102 Ų | 102 | 78.4 Ų | 78.4 | 53% | 0.534 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 106.3 | 172.9 | 177.4 | 64.7 | 0 | 0 | 0 | 108.6 | L293 C304 L305 | L291-L293 HydrophobicContact CD2-CD2 4.34Å; L291-L293 HydrophobicContact CG-CD2 4.34Å; L291-C304 WeakPolarHBondContact O-CA 3.12Å; L291-L305 HydrophobicContact CB-CB 4.35Å; L291-L305 HydrophobicContact CD2-CD1 4.39Å; L291-L305 PolarHBondContact N-O 2.82Å; L291-L305 PolarHBondContact O-N 2.89Å |
| 292 | D | 94.2 | Very high | 92.7 | Very high | 53 Ų | 53 | 78.4 Ų | 78.4 | 28% | 0.283 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132.3 | 171.6 | -56.7 | -34.4 | 0 | 0 | 0 | 109.2 | V323 R327 | D292-V323 HydrophobicContact CB-CG1 4.21Å; D292-V323 VanDerWaalsContact CG-CG1 3.48Å; D292-V323 WeakPolarHBondContact OD2-CG1 3.33Å; D292-R327 WeakPolarHBondContact OD1-CG 3.5Å; D292-R327 IonicContact OD1-CZ 3.63Å; D292-R327 IonicContact OD1-NE 3.68Å; D292-R327 PolarHBondContact OD1-NE 3.24Å; D292-R327 IonicContact OD1-NH2 3.55Å; D292-R327 IonicContact OD2-CZ 2.72Å; D292-R327 IonicContact OD2-NE 3.21Å; D292-R327 PolarHBondContact OD2-NE 3.34Å; D292-R327 VanDerWaalsContact OD2-NE 3.1Å; D292-R327 IonicContact OD2-NH2 2.83Å; D292-R327 PolarHBondContact OD2-NH2 2.89Å |
| 293 | L | 92.8 | Very high | 92.8 | Very high | 65 Ų | 65 | 77 Ų | 77 | 34% | 0.34 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.7 | 176.6 | -58.2 | 177.1 | 0 | 0 | 0 | 109.1 | L291 E295 Q303 | L291-L293 HydrophobicContact CD2-CD2 4.34Å; L291-L293 HydrophobicContact CG-CD2 4.34Å; L293-E295 PolarHBondContact O-N 3.05Å; L293-Q303 HydrophobicContact CB-CB 4.07Å; L293-Q303 HydrophobicContact CD1-CB 3.91Å; L293-Q303 HydrophobicContact CG-CB 4.36Å; L293-Q303 PolarHBondContact N-O 3.46Å |
| 294 | E | 89 | Confident | 92.9 | Very high | 203 Ų | 203 | 74.2 Ų | 74.2 | 95% | 0.949 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -64.9 | -30.4 | 178.2 | -63.9 | -176.5 | 173.5 | 0 | 0 | 111.9 | ||
| 295 | E | 89.8 | Confident | 93.3 | Very high | 159 Ų | 159 | 75.9 Ų | 75.9 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -81.1 | 127.6 | -179.9 | -165 | 176.2 | -175.7 | 0 | 0 | 111.8 | L293 Q303 | L293-E295 PolarHBondContact O-N 3.05Å; E295-Q303 PolarHBondContact O-NE2 2.89Å |
| 296 | R | 91.4 | Very high | 93.6 | Very high | 143 Ų | 143 | 70.3 Ų | 70.3 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 149.3 | 173.5 | -70.4 | -179.2 | 176.5 | -87.6 | -6.6 | 110.5 | G300 L301 | R296-G300 PolarHBondContact NH1-O 2.83Å; R296-L301 CarbonylContact C-O 3.59Å; R296-L301 WeakPolarHBondContact CA-O 3.48Å |
| 297 | S | 89.8 | Confident | 93.8 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 16% | 0.161 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 167.6 | 172.3 | 73.4 | 0 | 0 | 0 | 0 | 111.3 | S299 G300 L301 | S297-S299 PolarHBondContact O-N 3.29Å; S297-S299 PolarHBondContact OG-N 2.9Å; S297-S299 PolarHBondContact OG-OG 3.47Å; S297-G300 WeakPolarHBondContact O-CA 3.35Å; S297-G300 PolarHBondContact O-N 3.05Å; S297-G300 PolarHBondContact OG-N 3.38Å; S297-L301 PolarHBondContact N-O 3.01Å; S297-L301 WeakPolarHBondContact OG-CB 3.42Å; S297-L301 PolarHBondContact OG-N 3.39Å |
| 298 | L | 88.1 | Confident | 93.8 | Very high | 193 Ų | 193 | 70.5 Ų | 70.5 | 100% | 1.01 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.2 | 173 | -63.3 | 176.8 | 0 | 0 | 0 | 113.6 | ||
| 299 | S | 91.2 | Very high | 93.6 | Very high | 90 Ų | 90 | 70.2 Ų | 70.2 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 6.3 | 174.7 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | S297 | S297-S299 PolarHBondContact O-N 3.29Å; S297-S299 PolarHBondContact OG-N 2.9Å; S297-S299 PolarHBondContact OG-OG 3.47Å |
| 300 | G | 92.1 | Very high | 93.3 | Very high | 37 Ų | 37 | 67 Ų | 67 | 38% | 0.381 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 79.5 | 12.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R296 S297 | R296-G300 PolarHBondContact NH1-O 2.83Å; S297-G300 WeakPolarHBondContact O-CA 3.35Å; S297-G300 PolarHBondContact O-N 3.05Å; S297-G300 PolarHBondContact OG-N 3.38Å |
| 301 | L | 94.3 | Very high | 92.7 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | trans | -86.1 | 144.3 | -176.9 | -56.7 | 177.4 | 0 | 0 | 0 | 111.2 | R296 S297 F319 A320 Q321 | R296-L301 CarbonylContact C-O 3.59Å; R296-L301 WeakPolarHBondContact CA-O 3.48Å; S297-L301 PolarHBondContact N-O 3.01Å; S297-L301 WeakPolarHBondContact OG-CB 3.42Å; S297-L301 PolarHBondContact OG-N 3.39Å; L301-F319 HydrophobicContact CB-CB 4.39Å; L301-F319 HydrophobicContact CD1-CD2 3.51Å; L301-F319 HydrophobicContact CD1-CE2 4.06Å; L301-F319 HydrophobicContact CD1-CG 4.47Å; L301-A320 CarbonylContact C-O 3.51Å; L301-A320 WeakPolarHBondContact CA-O 3.34Å; L301-A320 WeakPolarHBondContact CB-O 3.45Å; L301-Q321 HydrophobicContact CD2-CG 4.17Å | ||
| 302 | C | 94.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 10% | 0.095 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 145.7 | 167.8 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | F319 A320 V323 A326 | C302-F319 CarbonylContact O-C 3.55Å; C302-F319 WeakPolarHBondContact O-CA 3.34Å; C302-A320 PolarHBondContact N-O 2.9Å; C302-A320 PolarHBondContact O-N 2.99Å; C302-V323 HydrophobicContact CB-CG2 4.31Å; C302-A326 HydrophobicContact CB-CB 4.17Å |
| 303 | Q | 95.9 | Very high | 92.1 | Very high | 40 Ų | 40 | 70 Ų | 70 | 19% | 0.187 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.6 | -176.1 | -61.7 | -179.5 | 103.4 | 0 | 0 | 110.4 | L293 E295 G318 F319 | L293-Q303 HydrophobicContact CB-CB 4.07Å; L293-Q303 HydrophobicContact CD1-CB 3.91Å; L293-Q303 HydrophobicContact CG-CB 4.36Å; L293-Q303 PolarHBondContact N-O 3.46Å; E295-Q303 PolarHBondContact O-NE2 2.89Å; Q303-G318 WeakPolarHBondContact CA-O 3.49Å; Q303-F319 HydrophobicContact CG-CB 4.49Å |
| 304 | C | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 137.6 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | L291 H317 G318 A326 R327 A330 | L291-C304 WeakPolarHBondContact O-CA 3.12Å; C304-H317 PolarHBondContact O-CD2 3.44Å; C304-H317 VanDerWaalsContact O-CD2 3.31Å; C304-G318 PolarHBondContact N-O 2.86Å; C304-G318 PolarHBondContact O-N 3.36Å; C304-A326 HydrophobicContact CB-CB 4.07Å; C304-R327 HydrophobicContact CB-CG 4.23Å; C304-R327 VanDerWaalsContact SG-CG 3.51Å; C304-A330 HydrophobicContact CB-CB 4.37Å |
| 305 | L | 97.3 | Very high | 92.5 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140.1 | 166.1 | -62.7 | 172.8 | 0 | 0 | 0 | 109.3 | Y290 L291 V315 C316 H317 | Y290-L305 WeakPolarHBondContact CA-O 3.49Å; L291-L305 HydrophobicContact CB-CB 4.35Å; L291-L305 HydrophobicContact CD2-CD1 4.39Å; L291-L305 PolarHBondContact N-O 2.82Å; L291-L305 PolarHBondContact O-N 2.89Å; L305-V315 HydrophobicContact CB-CG1 4.21Å; L305-V315 HydrophobicContact CD2-CG1 4.1Å; L305-C316 CarbonylContact C-O 3.56Å; L305-C316 WeakPolarHBondContact CA-O 3.47Å; L305-H317 HydrophobicContact CD2-CB 3.75Å |
| 306 | V | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.7 | 167.8 | 64.7 | 0 | 0 | 0 | 0 | 108.9 | L277 V288 S289 Y290 L308 V315 C316 A330 A334 | L277-V306 HydrophobicContact CD2-CG2 4.12Å; V288-V306 HydrophobicContact CG1-CG2 3.52Å; S289-V306 CarbonylContact O-C 3.52Å; S289-V306 WeakPolarHBondContact O-CA 3.2Å; Y290-V306 HydrophobicContact CD1-CB 3.91Å; Y290-V306 HydrophobicContact CD1-CG2 3.92Å; Y290-V306 HydrophobicContact CE1-CB 3.84Å; Y290-V306 HydrophobicContact CE1-CG2 3.64Å; Y290-V306 HydrophobicContact CE2-CG2 4.4Å; Y290-V306 HydrophobicContact CG-CG2 4.44Å; V306-L308 HydrophobicContact CG2-CD2 4.06Å; V306-V315 CarbonylContact O-C 3.52Å; V306-V315 VanDerWaalsContact O-CA 3.27Å; V306-V315 WeakPolarHBondContact O-CA 3.45Å; V306-C316 HydrophobicContact CG1-CB 3.68Å; V306-C316 PolarHBondContact N-O 2.93Å; V306-C316 PolarHBondContact O-N 3.33Å; V306-A330 HydrophobicContact CB-CB 4.18Å; V306-A330 HydrophobicContact CG1-CB 3.91Å; V306-A330 WeakPolarHBondContact CG1-O 3.15Å; V306-A334 HydrophobicContact CG1-CB 3.78Å |
| 307 | E | 96.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 51.4 Ų | 51.4 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131 | 174.3 | -175.6 | -177.2 | 111 | 0 | 0 | 109.3 | V288 S289 I313 T314 V315 | V288-E307 WeakPolarHBondContact CA-O 3.36Å; S289-E307 PolarHBondContact N-O 2.99Å; S289-E307 PolarHBondContact O-N 3.48Å; E307-I313 HydrophobicContact CG-CG2 3.79Å; E307-T314 CarbonylContact C-O 3.54Å; E307-T314 WeakPolarHBondContact CA-O 3.44Å; E307-V315 HydrophobicContact CB-CG2 4.36Å; E307-V315 HydrophobicContact CG-CG2 4.21Å |
| 308 | L | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.7 | 171.2 | -40.4 | 178.5 | 0 | 0 | 0 | 108.6 | L277 F286 D287 V288 V306 T310 T314 A334 L338 | L277-L308 HydrophobicContact CD1-CD2 4.24Å; L277-L308 HydrophobicContact CD2-CD2 4.15Å; F286-L308 HydrophobicContact CD2-CB 4.16Å; F286-L308 HydrophobicContact CD2-CD2 4.49Å; F286-L308 HydrophobicContact CE2-CB 4.37Å; F286-L308 HydrophobicContact CE2-CD1 4.45Å; F286-L308 HydrophobicContact CE2-CD2 4.04Å; D287-L308 WeakPolarHBondContact O-CA 3.33Å; V288-L308 HydrophobicContact CG1-CD2 4.15Å; V288-L308 HydrophobicContact CG2-CD2 3.96Å; V306-L308 HydrophobicContact CG2-CD2 4.06Å; L308-T310 HydrophobicContact CB-CG2 3.97Å; L308-T310 PolarHBondContact O-N 2.94Å; L308-T314 HydrophobicContact CD1-CG2 4.07Å; L308-T314 HydrophobicContact CG-CG2 4.42Å; L308-T314 PolarHBondContact N-O 3.46Å; L308-T314 PolarHBondContact O-N 3.28Å; L308-A334 HydrophobicContact CD1-CB 4.18Å; L308-A334 HydrophobicContact CD2-CB 4.31Å; L308-L338 HydrophobicContact CD1-CD1 3.99Å; L308-L338 HydrophobicContact CD1-CD2 3.96Å; L308-L338 HydrophobicContact CD1-CG 3.99Å |
| 309 | S | 92.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | trans | -73.4 | 30.4 | 177 | 82.1 | 0 | 0 | 0 | 0 | 113.7 | F286 D287 | F286-S309 WeakPolarHBondContact CA-OG 3.34Å; F286-S309 WeakPolarHBondContact CB-OG 3.23Å; D287-S309 PolarHBondContact N-OG 3.33Å; D287-S309 PolarHBondContact O-N 2.87Å | ||
| 310 | T | 90.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 170.9 | 175.1 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | C244 F286 L308 P312 I313 T314 L338 | C244-T310 HydrophobicContact CB-CG2 4.29Å; C244-T310 CarbonylContact O-C 3.58Å; C244-T310 WeakPolarHBondContact O-CA 3.44Å; C244-T310 WeakPolarHBondContact O-CB 3.46Å; F286-T310 HydrophobicContact CB-CG2 4.48Å; F286-T310 HydrophobicContact CD1-CG2 4.48Å; F286-T310 HydrophobicContact CG-CG2 4.32Å; L308-T310 HydrophobicContact CB-CG2 3.97Å; L308-T310 PolarHBondContact O-N 2.94Å; T310-P312 VanDerWaalsContact C-C 3.45Å; T310-P312 CarbonylContact C-O 3.55Å; T310-P312 CarbonylContact O-C 3.59Å; T310-P312 PolarHBondContact OG1-O 3.04Å; T310-I313 VanDerWaalsContact O-CA 3.23Å; T310-I313 WeakPolarHBondContact O-CA 3.34Å; T310-I313 PolarHBondContact O-N 3.46Å; T310-T314 WeakPolarHBondContact OG1-CB 3.43Å; T310-T314 PolarHBondContact OG1-N 3.42Å; T310-T314 PolarHBondContact OG1-OG1 3.08Å; T310-L338 HydrophobicContact CG2-CD2 4.33Å |
| 311 | Q | 83.5 | Confident | 93.7 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.1 | 174.7 | -163.4 | 172 | 11.5 | 0 | 0 | 112.5 | C244 T245 | C244-Q311 PolarHBondContact O-N 3.45Å; T245-Q311 HydrophobicContact CG2-CB 4.3Å |
| 312 | P | 88.2 | Confident | 93.6 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | S | Bend | cis | -59.9 | 159.7 | -7.2 | 25.8 | -38.6 | 0 | 0 | 0 | 114.4 | T310 T314 | T310-P312 VanDerWaalsContact C-C 3.45Å; T310-P312 CarbonylContact C-O 3.55Å; T310-P312 CarbonylContact O-C 3.59Å; T310-P312 PolarHBondContact OG1-O 3.04Å; P312-T314 PolarHBondContact O-N 2.89Å |
| 313 | I | 89.8 | Confident | 93.4 | Very high | 113 Ų | 113 | 53.2 Ų | 53.2 | 58% | 0.579 | 28% | 0.279 | S | S | * | . | trans | -56.9 | 136.1 | 174.4 | -69.7 | 168.4 | 0 | 0 | 0 | 108.5 | E307 T310 V315 | E307-I313 HydrophobicContact CG-CG2 3.79Å; T310-I313 VanDerWaalsContact O-CA 3.23Å; T310-I313 WeakPolarHBondContact O-CA 3.34Å; T310-I313 PolarHBondContact O-N 3.46Å; I313-V315 HydrophobicContact CG2-CG2 4.38Å | ||
| 314 | T | 93.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.2 | -180 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | E307 L308 T310 P312 Y337 | E307-T314 CarbonylContact C-O 3.54Å; E307-T314 WeakPolarHBondContact CA-O 3.44Å; L308-T314 HydrophobicContact CD1-CG2 4.07Å; L308-T314 HydrophobicContact CG-CG2 4.42Å; L308-T314 PolarHBondContact N-O 3.46Å; L308-T314 PolarHBondContact O-N 3.28Å; T310-T314 WeakPolarHBondContact OG1-CB 3.43Å; T310-T314 PolarHBondContact OG1-N 3.42Å; T310-T314 PolarHBondContact OG1-OG1 3.08Å; P312-T314 PolarHBondContact O-N 2.89Å; T314-Y337 HydrophobicContact CG2-CD1 3.35Å; T314-Y337 HydrophobicContact CG2-CE1 3.27Å; T314-Y337 HydrophobicContact CG2-CG 4.32Å; T314-Y337 VanDerWaalsContact OG1-CE1 3.32Å; T314-Y337 WeakPolarHBondContact OG1-CE1 3.34Å |
| 315 | V | 96.5 | Very high | 93 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.7 | 169.6 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | L305 V306 E307 I313 | L305-V315 HydrophobicContact CB-CG1 4.21Å; L305-V315 HydrophobicContact CD2-CG1 4.1Å; V306-V315 CarbonylContact O-C 3.52Å; V306-V315 VanDerWaalsContact O-CA 3.27Å; V306-V315 WeakPolarHBondContact O-CA 3.45Å; E307-V315 HydrophobicContact CB-CG2 4.36Å; E307-V315 HydrophobicContact CG-CG2 4.21Å; I313-V315 HydrophobicContact CG2-CG2 4.38Å |
| 316 | C | 96.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 11% | 0.108 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.6 | 174.2 | -67.3 | 0 | 0 | 0 | 0 | 110.1 | L305 V306 N333 A334 | L305-C316 CarbonylContact C-O 3.56Å; L305-C316 WeakPolarHBondContact CA-O 3.47Å; V306-C316 HydrophobicContact CG1-CB 3.68Å; V306-C316 PolarHBondContact N-O 2.93Å; V306-C316 PolarHBondContact O-N 3.33Å; C316-N333 HydrophobicContact CB-CB 4.22Å; C316-A334 HydrophobicContact CB-CB 4.17Å |
| 317 | H | 96.1 | Very high | 92.6 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 35% | 0.352 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 141.7 | 178.3 | -178.5 | -133.8 | 0 | 0 | 0 | 110.2 | C304 L305 N333 | C304-H317 PolarHBondContact O-CD2 3.44Å; C304-H317 VanDerWaalsContact O-CD2 3.31Å; L305-H317 HydrophobicContact CD2-CB 3.75Å; H317-N333 PolarHBondContact O-ND2 3Å |
| 318 | G | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q303 C304 N329 | Q303-G318 WeakPolarHBondContact CA-O 3.49Å; C304-G318 PolarHBondContact N-O 2.86Å; C304-G318 PolarHBondContact O-N 3.36Å; G318-N329 WeakPolarHBondContact CA-OD1 3.33Å |
| 319 | F | 94.6 | Very high | 92.4 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.7 | 179.1 | 58.6 | -95.8 | 0 | 0 | 0 | 111.1 | L301 C302 Q303 N329 | L301-F319 HydrophobicContact CB-CB 4.39Å; L301-F319 HydrophobicContact CD1-CD2 3.51Å; L301-F319 HydrophobicContact CD1-CE2 4.06Å; L301-F319 HydrophobicContact CD1-CG 4.47Å; C302-F319 CarbonylContact O-C 3.55Å; C302-F319 WeakPolarHBondContact O-CA 3.34Å; Q303-F319 HydrophobicContact CG-CB 4.49Å; F319-N329 PolarHBondContact N-OD1 3.22Å |
| 320 | A | 93.8 | Very high | 92.6 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 178.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L301 C302 N322 A325 A326 | L301-A320 CarbonylContact C-O 3.51Å; L301-A320 WeakPolarHBondContact CA-O 3.34Å; L301-A320 WeakPolarHBondContact CB-O 3.45Å; C302-A320 PolarHBondContact N-O 2.9Å; C302-A320 PolarHBondContact O-N 2.99Å; A320-N322 VanDerWaalsContact C-N 3.29Å; A320-N322 PolarHBondContact O-N 3.45Å; A320-A325 HydrophobicContact CB-CB 3.45Å; A320-A325 VanDerWaalsContact CB-CB 3.45Å; A320-A326 HydrophobicContact CB-CB 4.13Å; A320-A326 VanDerWaalsContact CB-N 3.33Å |
| 321 | Q | 92.4 | Very high | 92.8 | Very high | 165 Ų | 165 | 56.6 Ų | 56.6 | 77% | 0.771 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -68.1 | -26.4 | -179 | -64.6 | 180 | 6.7 | 0 | 0 | 113.7 | L301 | L301-Q321 HydrophobicContact CD2-CG 4.17Š|
| 322 | N | 91.9 | Very high | 93.3 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -133.9 | 164.9 | 178 | 60.6 | 54 | 0 | 0 | 0 | 110.6 | A320 A325 A326 | A320-N322 VanDerWaalsContact C-N 3.29Å; A320-N322 PolarHBondContact O-N 3.45Å; N322-A325 WeakPolarHBondContact OD1-CA 3.25Å; N322-A325 WeakPolarHBondContact OD1-CB 3.35Å; N322-A325 PolarHBondContact OD1-N 2.88Å; N322-A326 WeakPolarHBondContact O-CB 3.46Å; N322-A326 PolarHBondContact O-N 3.27Å |
| 323 | V | 90.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | -173.7 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | D292 C302 A325 A326 R327 | D292-V323 HydrophobicContact CB-CG1 4.21Å; D292-V323 VanDerWaalsContact CG-CG1 3.48Å; D292-V323 WeakPolarHBondContact OD2-CG1 3.33Å; C302-V323 HydrophobicContact CB-CG2 4.31Å; V323-A325 PolarHBondContact O-N 2.85Å; V323-A326 WeakPolarHBondContact O-CB 3.49Å; V323-A326 PolarHBondContact O-N 3.43Å; V323-A326 VanDerWaalsContact O-N 3.08Å; V323-R327 PolarHBondContact O-N 2.88Å |
| 324 | D | 91.1 | Very high | 94 | Very high | 119 Ų | 119 | 46 Ų | 46 | 64% | 0.636 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.4 | -41 | -179.8 | -63.6 | -43.9 | 0 | 0 | 0 | 112.2 | A326 R327 A328 | D324-A326 VanDerWaalsContact C-N 3.33Å; D324-R327 PolarHBondContact O-N 3.42Å; D324-A328 WeakPolarHBondContact O-CB 3.45Å; D324-A328 PolarHBondContact O-N 3.3Å |
| 325 | A | 91 | Very high | 94 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.7 | -31.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A320 N322 V323 A328 N329 | A320-A325 HydrophobicContact CB-CB 3.45Å; A320-A325 VanDerWaalsContact CB-CB 3.45Å; N322-A325 WeakPolarHBondContact OD1-CA 3.25Å; N322-A325 WeakPolarHBondContact OD1-CB 3.35Å; N322-A325 PolarHBondContact OD1-N 2.88Å; V323-A325 PolarHBondContact O-N 2.85Å; A325-A328 PolarHBondContact O-N 3.31Å; A325-N329 VanDerWaalsContact O-CB 3.25Å; A325-N329 WeakPolarHBondContact O-CB 3.16Å; A325-N329 PolarHBondContact O-N 3.3Å |
| 326 | A | 93.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C302 C304 A320 N322 V323 D324 N329 A330 | C302-A326 HydrophobicContact CB-CB 4.17Å; C304-A326 HydrophobicContact CB-CB 4.07Å; A320-A326 HydrophobicContact CB-CB 4.13Å; A320-A326 VanDerWaalsContact CB-N 3.33Å; N322-A326 WeakPolarHBondContact O-CB 3.46Å; N322-A326 PolarHBondContact O-N 3.27Å; V323-A326 WeakPolarHBondContact O-CB 3.49Å; V323-A326 PolarHBondContact O-N 3.43Å; V323-A326 VanDerWaalsContact O-N 3.08Å; D324-A326 VanDerWaalsContact C-N 3.33Å; A326-N329 PolarHBondContact O-N 2.88Å; A326-A330 WeakPolarHBondContact O-CB 3.46Å; A326-A330 PolarHBondContact O-N 3.3Å |
| 327 | R | 93.9 | Very high | 93.7 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -46 | 171 | -75.3 | 177.6 | 175.6 | -162.5 | -0.6 | 112.1 | Y290 D292 C304 V323 D324 N329 A330 A331 | Y290-R327 HydrophobicContact CD1-CB 4.25Å; Y290-R327 HydrophobicContact CD1-CG 4.08Å; Y290-R327 HydrophobicContact CE1-CB 4.32Å; D292-R327 WeakPolarHBondContact OD1-CG 3.5Å; D292-R327 IonicContact OD1-CZ 3.63Å; D292-R327 IonicContact OD1-NE 3.68Å; D292-R327 PolarHBondContact OD1-NE 3.24Å; D292-R327 IonicContact OD1-NH2 3.55Å; D292-R327 IonicContact OD2-CZ 2.72Å; D292-R327 IonicContact OD2-NE 3.21Å; D292-R327 PolarHBondContact OD2-NE 3.34Å; D292-R327 VanDerWaalsContact OD2-NE 3.1Å; D292-R327 IonicContact OD2-NH2 2.83Å; D292-R327 PolarHBondContact OD2-NH2 2.89Å; C304-R327 HydrophobicContact CB-CG 4.23Å; C304-R327 VanDerWaalsContact SG-CG 3.51Å; V323-R327 PolarHBondContact O-N 2.88Å; D324-R327 PolarHBondContact O-N 3.42Å; R327-N329 VanDerWaalsContact C-N 3.31Å; R327-N329 PolarHBondContact O-N 3.39Å; R327-A330 PolarHBondContact O-N 3.47Å; R327-A331 WeakPolarHBondContact O-CB 3.42Å; R327-A331 PolarHBondContact O-N 2.89Å |
| 328 | A | 93.4 | Very high | 93.5 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D324 A325 A331 H332 | D324-A328 WeakPolarHBondContact O-CB 3.45Å; D324-A328 PolarHBondContact O-N 3.3Å; A325-A328 PolarHBondContact O-N 3.31Å; A328-A331 PolarHBondContact O-N 3Å; A328-H332 WeakPolarHBondContact O-CB 3.4Å; A328-H332 PolarHBondContact O-N 3.3Å |
| 329 | N | 94 | Very high | 93.4 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 174.6 | -173.4 | -99.2 | 0 | 0 | 0 | 111.9 | G318 F319 A325 A326 R327 A331 H332 N333 | G318-N329 WeakPolarHBondContact CA-OD1 3.33Å; F319-N329 PolarHBondContact N-OD1 3.22Å; A325-N329 VanDerWaalsContact O-CB 3.25Å; A325-N329 WeakPolarHBondContact O-CB 3.16Å; A325-N329 PolarHBondContact O-N 3.3Å; A326-N329 PolarHBondContact O-N 2.88Å; R327-N329 VanDerWaalsContact C-N 3.31Å; R327-N329 PolarHBondContact O-N 3.39Å; N329-A331 VanDerWaalsContact C-N 3.33Å; N329-A331 PolarHBondContact O-N 2.92Å; N329-H332 WeakPolarHBondContact O-CB 3.35Å; N329-H332 PolarHBondContact O-N 3.5Å; N329-N333 VanDerWaalsContact O-CG 3.27Å; N329-N333 PolarHBondContact O-N 2.75Å; N329-N333 PolarHBondContact O-ND2 3.12Å; N329-N333 PolarHBondContact OD1-ND2 3.44Å |
| 330 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | C304 V306 A326 R327 H332 N333 A334 | C304-A330 HydrophobicContact CB-CB 4.37Å; V306-A330 HydrophobicContact CB-CB 4.18Å; V306-A330 HydrophobicContact CG1-CB 3.91Å; V306-A330 WeakPolarHBondContact CG1-O 3.15Å; A326-A330 WeakPolarHBondContact O-CB 3.46Å; A326-A330 PolarHBondContact O-N 3.3Å; R327-A330 PolarHBondContact O-N 3.47Å; A330-H332 PolarHBondContact O-N 3.43Å; A330-N333 PolarHBondContact O-N 2.99Å; A330-A334 PolarHBondContact O-N 2.91Å |
| 331 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F273 L277 Y290 R327 A328 N329 A334 L335 | F273-A331 HydrophobicContact CB-CB 4.04Å; L277-A331 HydrophobicContact CB-CB 4.46Å; L277-A331 HydrophobicContact CD2-CB 3.93Å; Y290-A331 HydrophobicContact CE1-CB 4.31Å; Y290-A331 WeakPolarHBondContact OH-CB 3.17Å; R327-A331 WeakPolarHBondContact O-CB 3.42Å; R327-A331 PolarHBondContact O-N 2.89Å; A328-A331 PolarHBondContact O-N 3Å; N329-A331 VanDerWaalsContact C-N 3.33Å; N329-A331 PolarHBondContact O-N 2.92Å; A331-A334 WeakPolarHBondContact O-CB 3.44Å; A331-A334 PolarHBondContact O-N 2.79Å; A331-L335 WeakPolarHBondContact O-CG 2.99Å; A331-L335 PolarHBondContact O-N 3.02Å |
| 332 | H | 94.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 174.5 | 171 | -98.3 | 0 | 0 | 0 | 111.6 | G266 F273 A328 N329 A330 A334 L335 Q336 | G266-H332 PolarHBondContact O-NE2 3.08Å; F273-H332 HydrophobicContact CB-CB 4.24Å; F273-H332 HydrophobicContact CD1-CB 4.12Å; F273-H332 AromaticContact CD1-CD2 3.91Å; F273-H332 HydrophobicContact CD2-CB 3.98Å; F273-H332 AromaticContact CE1-CD2 3.51Å; F273-H332 HydrophobicContact CE2-CB 4.42Å; F273-H332 HydrophobicContact CG-CB 3.82Å; F273-H332 AromaticContact CZ-CD2 3.6Å; A328-H332 WeakPolarHBondContact O-CB 3.4Å; A328-H332 PolarHBondContact O-N 3.3Å; N329-H332 WeakPolarHBondContact O-CB 3.35Å; N329-H332 PolarHBondContact O-N 3.5Å; A330-H332 PolarHBondContact O-N 3.43Å; H332-A334 VanDerWaalsContact C-N 3.33Å; H332-A334 PolarHBondContact O-N 2.93Å; H332-L335 PolarHBondContact O-N 3.35Å; H332-Q336 PolarHBondContact CE1-NE2 2.8Å; H332-Q336 PolarHBondContact NE2-NE2 3.47Å; H332-Q336 WeakPolarHBondContact O-CG 3.48Å; H332-Q336 PolarHBondContact O-N 3.5Å |
| 333 | N | 95.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 177.1 | -65.5 | -16.6 | 0 | 0 | 0 | 111.6 | C316 H317 N329 A330 Q336 Y337 | C316-N333 HydrophobicContact CB-CB 4.22Å; H317-N333 PolarHBondContact O-ND2 3Å; N329-N333 VanDerWaalsContact O-CG 3.27Å; N329-N333 PolarHBondContact O-N 2.75Å; N329-N333 PolarHBondContact O-ND2 3.12Å; N329-N333 PolarHBondContact OD1-ND2 3.44Å; A330-N333 PolarHBondContact O-N 2.99Å; N333-Q336 PolarHBondContact O-N 3.04Å; N333-Y337 WeakPolarHBondContact O-CB 3.45Å; N333-Y337 PolarHBondContact O-N 2.87Å |
| 334 | A | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L277 V306 L308 C316 A330 A331 H332 Q336 Y337 L338 | L277-A334 HydrophobicContact CD1-CB 4.4Å; L277-A334 HydrophobicContact CD2-CB 3.9Å; V306-A334 HydrophobicContact CG1-CB 3.78Å; L308-A334 HydrophobicContact CD1-CB 4.18Å; L308-A334 HydrophobicContact CD2-CB 4.31Å; C316-A334 HydrophobicContact CB-CB 4.17Å; A330-A334 PolarHBondContact O-N 2.91Å; A331-A334 WeakPolarHBondContact O-CB 3.44Å; A331-A334 PolarHBondContact O-N 2.79Å; H332-A334 VanDerWaalsContact C-N 3.33Å; H332-A334 PolarHBondContact O-N 2.93Å; A334-Q336 PolarHBondContact O-N 3.37Å; A334-Y337 WeakPolarHBondContact O-CB 3.45Å; A334-Y337 PolarHBondContact O-N 2.89Å; A334-L338 VanDerWaalsContact O-CG 3.32Å; A334-L338 WeakPolarHBondContact O-CG 3.43Å; A334-L338 PolarHBondContact O-N 2.77Å |
| 335 | L | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 176.4 | -74.3 | 166.4 | 0 | 0 | 0 | 112.4 | L260 L265 F273 L276 L277 L280 A331 H332 Y337 L338 K339 | L260-L335 HydrophobicContact CD1-CB 4.27Å; L260-L335 HydrophobicContact CD1-CD2 4.24Å; L260-L335 HydrophobicContact CD2-CD2 4.3Å; L265-L335 HydrophobicContact CD1-CB 3.79Å; L265-L335 HydrophobicContact CD2-CB 4.37Å; F273-L335 HydrophobicContact CB-CD1 4.07Å; F273-L335 HydrophobicContact CD1-CD1 3.9Å; F273-L335 HydrophobicContact CG-CD1 4.48Å; L276-L335 HydrophobicContact CB-CD1 4.14Å; L276-L335 HydrophobicContact CD2-CD1 3.92Å; L276-L335 HydrophobicContact CD2-CD2 4.5Å; L276-L335 HydrophobicContact CG-CD1 4.06Å; L276-L335 HydrophobicContact CG-CD2 4.21Å; L277-L335 HydrophobicContact CB-CD1 4.3Å; L277-L335 HydrophobicContact CB-CD2 4.19Å; L277-L335 HydrophobicContact CB-CG 4.12Å; L277-L335 HydrophobicContact CD1-CD2 3.98Å; L277-L335 HydrophobicContact CD1-CG 4.17Å; L280-L335 HydrophobicContact CD2-CD2 3.78Å; A331-L335 WeakPolarHBondContact O-CG 2.99Å; A331-L335 PolarHBondContact O-N 3.02Å; H332-L335 PolarHBondContact O-N 3.35Å; L335-Y337 VanDerWaalsContact C-N 3.33Å; L335-L338 PolarHBondContact O-N 3.37Å; L335-K339 WeakPolarHBondContact O-CB 3.3Å; L335-K339 PolarHBondContact O-N 3.3Å |
| 336 | Q | 92.7 | Very high | 88.1 | Confident | 84 Ų | 84 | 47.8 Ų | 47.8 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 173.5 | -75.8 | -170.1 | -7 | 0 | 0 | 111.3 | L265 H332 N333 A334 K339 I340 | L265-Q336 HydrophobicContact CD1-CB 4.23Å; L265-Q336 HydrophobicContact CD1-CG 3.54Å; H332-Q336 PolarHBondContact CE1-NE2 2.8Å; H332-Q336 PolarHBondContact NE2-NE2 3.47Å; H332-Q336 WeakPolarHBondContact O-CG 3.48Å; H332-Q336 PolarHBondContact O-N 3.5Å; N333-Q336 PolarHBondContact O-N 3.04Å; A334-Q336 PolarHBondContact O-N 3.37Å; Q336-K339 WeakPolarHBondContact O-CB 3.46Å; Q336-K339 PolarHBondContact O-N 3.08Å; Q336-I340 WeakPolarHBondContact O-CG1 3.18Å; Q336-I340 PolarHBondContact O-N 3.37Å |
| 337 | Y | 93.4 | Very high | 87.8 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 30% | 0.302 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 177.4 | 179.3 | -109.2 | 0 | 0 | 0 | 112 | W246 T314 N333 A334 L335 K339 I340 M341 | W246-Y337 AromaticContact CH2-CD1 3.65Å; W246-Y337 HydrophobicContact CH2-CD1 3.65Å; W246-Y337 AromaticContact CH2-CE1 2.95Å; W246-Y337 HydrophobicContact CH2-CE1 2.95Å; W246-Y337 AromaticContact CH2-CZ 3.57Å; W246-Y337 HydrophobicContact CZ2-CD1 4.35Å; W246-Y337 AromaticContact CZ2-CE1 3.25Å; W246-Y337 HydrophobicContact CZ2-CE1 3.25Å; W246-Y337 AromaticContact CZ2-CZ 3.48Å; W246-Y337 VanDerWaalsContact CZ2-CZ 3.48Å; W246-Y337 WeakPolarHBondContact CZ2-OH 3.44Å; W246-Y337 HydrophobicContact CZ3-CD1 4.41Å; W246-Y337 AromaticContact CZ3-CE1 3.97Å; W246-Y337 HydrophobicContact CZ3-CE1 3.97Å; T314-Y337 HydrophobicContact CG2-CD1 3.35Å; T314-Y337 HydrophobicContact CG2-CE1 3.27Å; T314-Y337 HydrophobicContact CG2-CG 4.32Å; T314-Y337 VanDerWaalsContact OG1-CE1 3.32Å; T314-Y337 WeakPolarHBondContact OG1-CE1 3.34Å; N333-Y337 WeakPolarHBondContact O-CB 3.45Å; N333-Y337 PolarHBondContact O-N 2.87Å; A334-Y337 WeakPolarHBondContact O-CB 3.45Å; A334-Y337 PolarHBondContact O-N 2.89Å; L335-Y337 VanDerWaalsContact C-N 3.33Å; Y337-K339 VanDerWaalsContact C-N 3.26Å; Y337-K339 PolarHBondContact O-N 3.09Å; Y337-I340 PolarHBondContact O-N 2.72Å; Y337-I340 VanDerWaalsContact O-N 3.16Å; Y337-M341 HydrophobicContact CD1-CG 4.49Å; Y337-M341 HydrophobicContact CD2-CG 4.3Å; Y337-M341 HydrophobicContact CE1-CG 4.21Å; Y337-M341 HydrophobicContact CE2-CG 3.91Å; Y337-M341 HydrophobicContact CE2-SD 4.19Å; Y337-M341 WeakPolarHBondContact O-CG 3.34Å; Y337-M341 PolarHBondContact O-N 3.31Å |
| 338 | L | 92.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58 | -39.3 | 175.3 | -69.4 | 174.7 | 0 | 0 | 0 | 111.9 | W246 L249 L260 L277 L280 F286 L308 T310 A334 L335 M341 A342 | W246-L338 HydrophobicContact CH2-CD2 4.3Å; W246-L338 HydrophobicContact CZ3-CD2 4.04Å; L249-L338 HydrophobicContact CD1-CD2 3.66Å; L260-L338 HydrophobicContact CD2-CB 4.13Å; L277-L338 HydrophobicContact CD1-CD1 3.74Å; L280-L338 HydrophobicContact CD2-CB 4.48Å; L280-L338 HydrophobicContact CD2-CD1 3.63Å; F286-L338 HydrophobicContact CE1-CD1 4.31Å; F286-L338 HydrophobicContact CE2-CD1 4.4Å; F286-L338 HydrophobicContact CZ-CD1 3.65Å; L308-L338 HydrophobicContact CD1-CD1 3.99Å; L308-L338 HydrophobicContact CD1-CD2 3.96Å; L308-L338 HydrophobicContact CD1-CG 3.99Å; T310-L338 HydrophobicContact CG2-CD2 4.33Å; A334-L338 VanDerWaalsContact O-CG 3.32Å; A334-L338 WeakPolarHBondContact O-CG 3.43Å; A334-L338 PolarHBondContact O-N 2.77Å; L335-L338 PolarHBondContact O-N 3.37Å; L338-M341 PolarHBondContact O-N 3.41Å; L338-A342 WeakPolarHBondContact O-CB 3.02Å; L338-A342 PolarHBondContact O-N 3.39Å |
| 339 | K | 91.8 | Very high | 87.1 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 175.2 | -175.9 | 177.4 | -178.4 | 166.2 | 0 | 112.1 | L260 R261 H263 L335 Q336 Y337 M341 A342 G343 | L260-K339 HydrophobicContact CD1-CB 4.29Å; L260-K339 HydrophobicContact CD2-CB 4.15Å; L260-K339 HydrophobicContact CG-CB 3.93Å; L260-K339 HydrophobicContact CG-CG 4.35Å; L260-K339 VanDerWaalsContact O-CD 3.22Å; L260-K339 WeakPolarHBondContact O-CD 3.4Å; L260-K339 WeakPolarHBondContact O-CE 3.42Å; L260-K339 PolarHBondContact O-NZ 3.5Å; R261-K339 WeakPolarHBondContact O-CE 3.38Å; H263-K339 VanDerWaalsContact C-NZ 3.34Å; H263-K339 PolarHBondContact O-NZ 3.49Å; L335-K339 WeakPolarHBondContact O-CB 3.3Å; L335-K339 PolarHBondContact O-N 3.3Å; Q336-K339 WeakPolarHBondContact O-CB 3.46Å; Q336-K339 PolarHBondContact O-N 3.08Å; Y337-K339 VanDerWaalsContact C-N 3.26Å; Y337-K339 PolarHBondContact O-N 3.09Å; K339-M341 VanDerWaalsContact C-N 3.26Å; K339-M341 PolarHBondContact O-N 3.36Å; K339-A342 PolarHBondContact O-N 2.93Å; K339-G343 PolarHBondContact O-N 3.3Å |
| 340 | I | 90.4 | Very high | 86.7 | Confident | 123 Ų | 123 | 51.1 Ų | 51.1 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.7 | -43.7 | 178.2 | -69.7 | 164 | 0 | 0 | 0 | 109.9 | Q336 Y337 G343 | Q336-I340 WeakPolarHBondContact O-CG1 3.18Å; Q336-I340 PolarHBondContact O-N 3.37Å; Y337-I340 PolarHBondContact O-N 2.72Å; Y337-I340 VanDerWaalsContact O-N 3.16Å; I340-G343 PolarHBondContact O-N 2.92Å |
| 341 | M | 88.1 | Confident | 86.1 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -77.1 | -29.4 | -175.4 | -62.2 | -61.3 | -73.8 | 0 | 0 | 113.4 | W246 R250 Y337 L338 K339 | W246-M341 HydrophobicContact CB-CE 4.23Å; W246-M341 HydrophobicContact CD2-CB 3.91Å; W246-M341 HydrophobicContact CD2-CE 3.21Å; W246-M341 HydrophobicContact CD2-CG 4Å; W246-M341 HydrophobicContact CD2-SD 4.46Å; W246-M341 VanDerWaalsContact CE2-CE 3.43Å; W246-M341 HydrophobicContact CE3-CB 3.04Å; W246-M341 HydrophobicContact CE3-CE 3.69Å; W246-M341 HydrophobicContact CE3-CG 3.47Å; W246-M341 VanDerWaalsContact CE3-CG 3.47Å; W246-M341 HydrophobicContact CE3-SD 4.45Å; W246-M341 HydrophobicContact CG-CE 3.44Å; W246-M341 VanDerWaalsContact CG-CE 3.44Å; W246-M341 HydrophobicContact CH2-CB 4.13Å; W246-M341 HydrophobicContact CH2-CG 3.78Å; W246-M341 HydrophobicContact CZ2-CE 4.14Å; W246-M341 HydrophobicContact CZ2-CG 4.23Å; W246-M341 HydrophobicContact CZ3-CB 3.16Å; W246-M341 HydrophobicContact CZ3-CE 4.32Å; W246-M341 HydrophobicContact CZ3-CG 3.32Å; R250-M341 WeakPolarHBondContact CG-O 3.22Å; R250-M341 PolarHBondContact NH1-O 3.08Å; Y337-M341 HydrophobicContact CD1-CG 4.49Å; Y337-M341 HydrophobicContact CD2-CG 4.3Å; Y337-M341 HydrophobicContact CE1-CG 4.21Å; Y337-M341 HydrophobicContact CE2-CG 3.91Å; Y337-M341 HydrophobicContact CE2-SD 4.19Å; Y337-M341 WeakPolarHBondContact O-CG 3.34Å; Y337-M341 PolarHBondContact O-N 3.31Å; L338-M341 PolarHBondContact O-N 3.41Å; K339-M341 VanDerWaalsContact C-N 3.26Å; K339-M341 PolarHBondContact O-N 3.36Å |
| 342 | A | 85.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -79.8 | -21.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L249 I257 R261 L338 K339 G344 | L249-A342 HydrophobicContact CB-CB 4.28Å; I257-A342 HydrophobicContact CD1-CB 3.76Å; I257-A342 HydrophobicContact CG1-CB 4.16Å; R261-A342 HydrophobicContact CG-CB 4.24Å; L338-A342 WeakPolarHBondContact O-CB 3.02Å; L338-A342 PolarHBondContact O-N 3.39Å; K339-A342 PolarHBondContact O-N 2.93Å; A342-G344 PolarHBondContact O-N 3.35Å |
| 343 | G | 75.6 | Confident | 84.7 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -76.6 | 102.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K339 I340 | K339-G343 PolarHBondContact O-N 3.3Å; I340-G343 PolarHBondContact O-N 2.92Å |
| 344 | G | 62.8 | Low | 83.9 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 56% | 0.557 | 33% | 0.331 | S | S | * | . | trans | -64.9 | 139.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A342 | A342-G344 PolarHBondContact O-N 3.35Š| ||
| 345 | K | 43.4 | Very low | 82.8 | Confident | 287 Ų | 287 | 69.1 Ų | 69.1 | 100% | 1.248 | 36% | 0.361 | S | S | * | . | trans | -64 | 0 | 168 | -93.4 | -178.2 | 173.9 | 177.8 | 0 | 111.4 |
Retrieved 345 of 345 residues in 206.2 ms
(Link to these results)