| 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 | 34.2 | Very low | 40.3 | Very low | 232 Ų | 232 | 150 Ų | 150 | 100% | 1.143 | 83% | 0.831 | S | S | * | * | 0 | 112 | 0 | -73 | -178.7 | 174.5 | 0 | 0 | 109.6 | |||||
| 2 | D | 37.2 | Very low | 40.5 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 67% | 0.668 | 82% | 0.816 | S | S | * | * | cis | -169.8 | 150.6 | -45.5 | -113.5 | -108 | 0 | 0 | 0 | 108.1 | ||||
| 3 | Q | 39.3 | Very low | 41.2 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | 41.6 | 117.5 | 152.3 | -63.4 | 169.5 | 69.2 | 0 | 0 | 119.7 | ||||
| 4 | H | 34.9 | Very low | 40.9 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 89% | 0.889 | 82% | 0.819 | S | S | * | * | trans | -119.4 | 120.7 | 150 | -145.7 | -70.5 | 0 | 0 | 0 | 109.8 | ||||
| 5 | P | 54.7 | Low | 41.3 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 62% | 0.617 | 83% | 0.826 | S | S | * | * | trans | -102.1 | -177.5 | -176.6 | 39.3 | -35.8 | 0 | 0 | 0 | 113.3 | ||||
| 6 | S | 37.5 | Very low | 41.5 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | 71.1 | 149.2 | 166.4 | -73 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 7 | A | 36.3 | Very low | 41.8 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | cis | -156.1 | 177.2 | -11.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | R | 45.8 | Very low | 41.7 | Very low | 246 Ų | 246 | 141.9 Ų | 141.9 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | trans | -74.7 | 144.3 | 179.1 | -55.4 | 165 | 175.2 | 165.8 | -4.7 | 112.3 | ||||
| 9 | S | 35.3 | Very low | 41.7 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | -172.1 | 180 | 110.3 | -142.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 10 | C | 48.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | trans | -121.4 | 150.3 | -161.4 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 11 | T | 39.6 | Very low | 42.6 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | 169.1 | 152.2 | 151.7 | 33.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 12 | S | 42.4 | Very low | 43.7 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | cis | -163 | 166.3 | -22.9 | 69.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 13 | R | 49.5 | Very low | 44.8 | Very low | 249 Ų | 249 | 133.3 Ų | 133.3 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | trans | 57.7 | 112.5 | 163.4 | -65.5 | 180 | 168.2 | -147.1 | -4.5 | 117.9 | ||||
| 14 | G | 36.8 | Very low | 46.3 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -177.7 | 52.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S16 | G14-S16 PolarHBondContact O-N 3.24Š| ||
| 15 | T | 47 | Very low | 48.6 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | trans | -75.7 | 87.9 | -179.2 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 16 | S | 45.7 | Very low | 50.1 | Low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -76.5 | 120.4 | 162 | 42.8 | 0 | 0 | 0 | 0 | 109.6 | G14 C18 | G14-S16 PolarHBondContact O-N 3.24Å; S16-C18 PolarHBondContact O-N 3.04Å; S16-C18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | S | 45.2 | Very low | 52.8 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -67.1 | 108.1 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | E19 | S17-E19 PolarHBondContact O-N 3.12Š| ||
| 18 | C | 40.3 | Very low | 55.5 | Low | 121 Ų | 121 | 116.8 Ų | 116.8 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -79.4 | 95.6 | 163.5 | 42.3 | 0 | 0 | 0 | 0 | 108.2 | S16 A20 | S16-C18 PolarHBondContact O-N 3.04Å; S16-C18 VanDerWaalsContact O-N 3.12Å; C18-A20 PolarHBondContact O-N 3.21Å | ||
| 19 | E | 43.1 | Very low | 57.8 | Low | 175 Ų | 175 | 105.1 Ų | 105.1 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | trans | -62.8 | 103.3 | 178.1 | -163.8 | 162.8 | 121.8 | 0 | 0 | 109.6 | S17 V21 | S17-E19 PolarHBondContact O-N 3.12Å; E19-V21 PolarHBondContact O-N 2.92Å | ||
| 20 | A | 49.2 | Very low | 60.7 | Low | 92 Ų | 92 | 104 Ų | 104 | 76% | 0.76 | 63% | 0.634 | S | S | * | * | trans | -73.6 | 90.8 | -175 | 0 | 0 | 0 | 0 | 0 | 109.7 | C18 | C18-A20 PolarHBondContact O-N 3.21Š| ||
| 21 | V | 53.2 | Low | 62.9 | Low | 127 Ų | 127 | 98.9 Ų | 98.9 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | trans | -46.7 | 123.9 | 167.2 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | E19 A23 | E19-V21 PolarHBondContact O-N 2.92Å; V21-A23 PolarHBondContact O-N 2.95Å | ||
| 22 | P | 56.1 | Low | 65.5 | Low | 110 Ų | 110 | 93.8 Ų | 93.8 | 71% | 0.714 | 57% | 0.566 | S | S | * | * | trans | -58.7 | 127.8 | -178.3 | 23.6 | -33.2 | 0 | 0 | 0 | 109.1 | E24 | P22-E24 PolarHBondContact O-N 2.92Š| ||
| 23 | A | 61 | Low | 67.8 | Low | 98 Ų | 98 | 90 Ų | 90 | 81% | 0.81 | 54% | 0.539 | S | S | * | . | trans | -67.7 | 99.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V21 | V21-A23 PolarHBondContact O-N 2.95Š| ||
| 24 | E | 69.7 | Low | 69.5 | Low | 140 Ų | 140 | 82.5 Ų | 82.5 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | trans | -43.8 | 122.8 | 173.3 | -93.5 | -69.8 | 127.7 | 0 | 0 | 110.1 | P22 S26 | P22-E24 PolarHBondContact O-N 2.92Å; E24-S26 PolarHBondContact O-N 3.43Å; E24-S26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | P | 83.1 | Confident | 71.6 | Confident | 65 Ų | 65 | 83.4 Ų | 83.4 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | trans | -64.5 | 121.5 | -173 | 25.9 | -33.6 | 0 | 0 | 0 | 109.5 | Q45 | P25-Q45 HydrophobicContact CB-CB 4.36Å; P25-Q45 HydrophobicContact CG-CB 4.22Å; P25-Q45 WeakPolarHBondContact O-CB 3.25Å; P25-Q45 PolarHBondContact O-N 3.11Å | ||
| 26 | S | 87.9 | Confident | 73.3 | Confident | 72 Ų | 72 | 79 Ų | 79 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 149.6 | 178.8 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | E24 L43 | E24-S26 PolarHBondContact O-N 3.43Å; E24-S26 VanDerWaalsContact O-N 3.14Å; S26-L43 CarbonylContact C-O 3.59Å; S26-L43 WeakPolarHBondContact CA-O 3.46Å; S26-L43 WeakPolarHBondContact CB-O 3.41Å |
| 27 | M | 92.9 | Very high | 75.2 | Confident | 4 Ų | 4 | 76.9 Ų | 76.9 | 2% | 0.02 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.7 | 173.6 | 60.4 | 167.6 | 178.8 | 0 | 0 | 110.3 | L29 S42 L43 L81 D88 | M27-L29 HydrophobicContact SD-CD2 4.17Å; M27-S42 WeakPolarHBondContact O-CA 3.26Å; M27-L43 HydrophobicContact CE-CB 4.48Å; M27-L43 HydrophobicContact CE-CD1 4.46Å; M27-L43 HydrophobicContact CG-CB 4.47Å; M27-L43 PolarHBondContact N-O 2.88Å; M27-L43 PolarHBondContact O-N 3.13Å; M27-L81 HydrophobicContact CE-CB 3.86Å; M27-L81 HydrophobicContact CE-CD1 3.55Å; M27-L81 HydrophobicContact CE-CG 4.35Å; M27-D88 HydrophobicContact CB-CB 3.9Å |
| 28 | N | 93 | Very high | 77.4 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.1 | -176.3 | -52.5 | -73.5 | 0 | 0 | 0 | 109.4 | E40 S42 D88 G89 | N28-E40 HydrophobicContact CB-CG 4.18Å; N28-S42 WeakPolarHBondContact OD1-CB 3.43Å; N28-S42 PolarHBondContact OD1-OG 3.13Å; N28-D88 PolarHBondContact N-OD1 3.4Å; N28-D88 PolarHBondContact ND2-OD1 2.86Å; N28-D88 VanDerWaalsContact ND2-OD1 3.12Å; N28-G89 PolarHBondContact O-N 3.46Å |
| 29 | L | 95.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.2 | -176.4 | -55.8 | -173 | 0 | 0 | 0 | 111.5 | M27 I31 E40 L41 L43 L52 L81 I86 S87 L92 | M27-L29 HydrophobicContact SD-CD2 4.17Å; L29-I31 HydrophobicContact CB-CD1 4.08Å; L29-I31 PolarHBondContact O-N 2.85Å; L29-E40 WeakPolarHBondContact O-CA 3.49Å; L29-L41 PolarHBondContact N-O 3.37Å; L29-L41 PolarHBondContact O-N 2.96Å; L29-L43 HydrophobicContact CD1-CD1 3.49Å; L29-L43 VanDerWaalsContact CD1-CD1 3.49Å; L29-L43 HydrophobicContact CG-CD1 4.05Å; L29-L52 HydrophobicContact CD1-CD2 4.2Å; L29-L81 HydrophobicContact CD1-CD1 4.29Å; L29-I86 HydrophobicContact CD1-CG2 4.03Å; L29-I86 HydrophobicContact CD2-CG2 3.7Å; L29-S87 VanDerWaalsContact CD2-O 3.32Å; L29-S87 WeakPolarHBondContact CD2-O 3.39Å; L29-L92 HydrophobicContact CD1-CD1 3.9Å |
| 30 | Y | 95.2 | Very high | 82.3 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 93.2 | -179.3 | -67.4 | -62.8 | 0 | 0 | 0 | 111.8 | H32 E40 S90 L92 | Y30-H32 PolarHBondContact O-ND1 2.67Å; Y30-E40 HydrophobicContact CD1-CB 4.19Å; Y30-E40 HydrophobicContact CD1-CG 4.16Å; Y30-E40 HydrophobicContact CE1-CB 4.04Å; Y30-E40 HydrophobicContact CE1-CG 3.71Å; Y30-E40 WeakPolarHBondContact CE1-OE1 3.42Å; Y30-E40 PolarHBondContact OH-OE1 3.19Å; Y30-S90 PolarHBondContact N-O 3.1Å; Y30-L92 PolarHBondContact O-N 3.03Å; Y30-L92 VanDerWaalsContact O-N 3.08Å |
| 31 | I | 95.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 124.2 | -177.2 | -46 | -58 | 0 | 0 | 0 | 110.2 | L29 R38 F39 L41 L52 L56 L92 L94 | L29-I31 HydrophobicContact CB-CD1 4.08Å; L29-I31 PolarHBondContact O-N 2.85Å; I31-R38 VanDerWaalsContact O-CA 3.31Å; I31-R38 WeakPolarHBondContact O-CA 3.16Å; I31-F39 HydrophobicContact CB-CD2 4.12Å; I31-F39 HydrophobicContact CB-CE1 4.28Å; I31-F39 HydrophobicContact CB-CE2 3.79Å; I31-F39 HydrophobicContact CB-CZ 3.88Å; I31-F39 WeakPolarHBondContact CB-O 3.29Å; I31-F39 HydrophobicContact CG1-CD2 4.19Å; I31-F39 HydrophobicContact CG1-CE2 3.8Å; I31-F39 HydrophobicContact CG1-CZ 4.31Å; I31-F39 HydrophobicContact CG2-CE1 4.07Å; I31-F39 HydrophobicContact CG2-CE2 4.05Å; I31-F39 HydrophobicContact CG2-CZ 3.65Å; I31-F39 PolarHBondContact N-O 2.75Å; I31-F39 PolarHBondContact O-N 3.22Å; I31-F39 VanDerWaalsContact O-N 3.1Å; I31-L41 HydrophobicContact CG1-CB 4.15Å; I31-L52 HydrophobicContact CD1-CD1 4.45Å; I31-L56 HydrophobicContact CG1-CD2 4.18Å; I31-L56 HydrophobicContact CG2-CD2 4.09Å; I31-L92 HydrophobicContact CD1-CB 4.1Å; I31-L92 HydrophobicContact CD1-CD1 4.12Å; I31-L94 HydrophobicContact CG2-CB 3.98Å; I31-L94 HydrophobicContact CG2-CD2 4.42Å |
| 32 | H | 93.8 | Very high | 86.3 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 102.7 | 179.5 | -71.9 | 67.1 | 0 | 0 | 0 | 110 | Y30 K91 L92 T93 L94 | Y30-H32 PolarHBondContact O-ND1 2.67Å; H32-K91 PolarHBondContact CD2-NZ 3.12Å; H32-K91 VanDerWaalsContact CE1-CE 3.47Å; H32-K91 WeakPolarHBondContact CE1-CE 3.32Å; H32-K91 WeakPolarHBondContact NE2-CE 3.44Å; H32-K91 PolarHBondContact NE2-NZ 2.69Å; H32-L92 PolarHBondContact N-O 3.04Å; H32-T93 CarbonylContact O-C 3.47Å; H32-T93 WeakPolarHBondContact O-CA 3.31Å; H32-L94 PolarHBondContact O-N 2.86Å |
| 33 | S | 90.6 | Very high | 88 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 142.9 | 174.7 | -172 | 0 | 0 | 0 | 0 | 111.7 | T35 G36 T37 L94 | S33-T35 WeakPolarHBondContact CB-OG1 3.41Å; S33-T35 PolarHBondContact O-N 2.66Å; S33-T35 PolarHBondContact OG-N 2.83Å; S33-T35 VanDerWaalsContact OG-N 3.1Å; S33-T35 PolarHBondContact OG-OG1 3.48Å; S33-G36 PolarHBondContact O-N 3.19Å; S33-T37 WeakPolarHBondContact CB-O 3.28Å; S33-T37 WeakPolarHBondContact CB-OG1 3.1Å; S33-T37 PolarHBondContact N-O 3.28Å; S33-L94 CarbonylContact C-O 3.53Å; S33-L94 WeakPolarHBondContact CA-O 3.43Å |
| 34 | T | 85.4 | Confident | 89.5 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -16 | 165.6 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | G36 T93 L94 V95 P96 | T34-G36 PolarHBondContact O-N 2.89Å; T34-T93 HydrophobicContact CG2-CG2 4.19Å; T34-L94 PolarHBondContact N-O 3.41Å; T34-V95 HydrophobicContact CG2-CG2 3.84Å; T34-P96 VanDerWaalsContact OG1-CD 3.23Å; T34-P96 WeakPolarHBondContact OG1-CD 3.48Å |
| 35 | T | 79.9 | Confident | 90.3 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 13.3 | 168.9 | 70.4 | 0 | 0 | 0 | 0 | 113.3 | S33 T37 P96 | S33-T35 WeakPolarHBondContact CB-OG1 3.41Å; S33-T35 PolarHBondContact O-N 2.66Å; S33-T35 PolarHBondContact OG-N 2.83Å; S33-T35 VanDerWaalsContact OG-N 3.1Å; S33-T35 PolarHBondContact OG-OG1 3.48Å; T35-T37 PolarHBondContact O-N 3.14Å; T35-T37 PolarHBondContact OG1-OG1 3.42Å; T35-P96 HydrophobicContact CG2-CG 3.86Å |
| 36 | G | 82.3 | Confident | 90.5 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 81.6 | -17.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | S33 T34 | S33-G36 PolarHBondContact O-N 3.19Å; T34-G36 PolarHBondContact O-N 2.89Å |
| 37 | T | 86.8 | Confident | 90.8 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | trans | -67 | 138 | 177.6 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | S33 T35 | S33-T37 WeakPolarHBondContact CB-O 3.28Å; S33-T37 WeakPolarHBondContact CB-OG1 3.1Å; S33-T37 PolarHBondContact N-O 3.28Å; T35-T37 PolarHBondContact O-N 3.14Å; T35-T37 PolarHBondContact OG1-OG1 3.42Å | ||
| 38 | R | 90.7 | Very high | 90.9 | Very high | 189 Ų | 189 | 58.6 Ų | 58.6 | 71% | 0.713 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.4 | 176.3 | -58.1 | -179.4 | -167.8 | 174.3 | 4.4 | 108.9 | I31 | I31-R38 VanDerWaalsContact O-CA 3.31Å; I31-R38 WeakPolarHBondContact O-CA 3.16Å |
| 39 | F | 92.3 | Very high | 90.9 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 154.2 | 176.3 | 55.2 | -86.5 | 0 | 0 | 0 | 110.5 | I31 L56 L60 | I31-F39 HydrophobicContact CB-CD2 4.12Å; I31-F39 HydrophobicContact CB-CE1 4.28Å; I31-F39 HydrophobicContact CB-CE2 3.79Å; I31-F39 HydrophobicContact CB-CZ 3.88Å; I31-F39 WeakPolarHBondContact CB-O 3.29Å; I31-F39 HydrophobicContact CG1-CD2 4.19Å; I31-F39 HydrophobicContact CG1-CE2 3.8Å; I31-F39 HydrophobicContact CG1-CZ 4.31Å; I31-F39 HydrophobicContact CG2-CE1 4.07Å; I31-F39 HydrophobicContact CG2-CE2 4.05Å; I31-F39 HydrophobicContact CG2-CZ 3.65Å; I31-F39 PolarHBondContact N-O 2.75Å; I31-F39 PolarHBondContact O-N 3.22Å; I31-F39 VanDerWaalsContact O-N 3.1Å; F39-L56 HydrophobicContact CE2-CD2 3.55Å; F39-L56 HydrophobicContact CZ-CD2 3.52Å; F39-L60 HydrophobicContact CE1-CD1 4.41Å; F39-L60 HydrophobicContact CE1-CD2 3.88Å; F39-L60 HydrophobicContact CZ-CD1 4.13Å; F39-L60 HydrophobicContact CZ-CD2 4.08Å; F39-L60 HydrophobicContact CZ-CG 4.28Å |
| 40 | E | 94.4 | Very high | 90.8 | Very high | 103 Ų | 103 | 60.5 Ų | 60.5 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 146.6 | 175 | -172.4 | 163.5 | -153 | 0 | 0 | 109.7 | N28 L29 Y30 | N28-E40 HydrophobicContact CB-CG 4.18Å; L29-E40 WeakPolarHBondContact O-CA 3.49Å; Y30-E40 HydrophobicContact CD1-CB 4.19Å; Y30-E40 HydrophobicContact CD1-CG 4.16Å; Y30-E40 HydrophobicContact CE1-CB 4.04Å; Y30-E40 HydrophobicContact CE1-CG 3.71Å; Y30-E40 WeakPolarHBondContact CE1-OE1 3.42Å; Y30-E40 PolarHBondContact OH-OE1 3.19Å |
| 41 | L | 92.7 | Very high | 90.7 | Very high | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 110 | -178.1 | -171.1 | 66.6 | 0 | 0 | 0 | 110.5 | L29 I31 L43 L52 R55 L56 | L29-L41 PolarHBondContact N-O 3.37Å; L29-L41 PolarHBondContact O-N 2.96Å; I31-L41 HydrophobicContact CG1-CB 4.15Å; L41-L43 HydrophobicContact CD2-CD2 4.05Å; L41-L43 HydrophobicContact CG-CD2 3.99Å; L41-L43 HydrophobicContact CG-CG 4.27Å; L41-L52 HydrophobicContact CD2-CD1 3.59Å; L41-R55 HydrophobicContact CD1-CG 4.35Å; L41-L56 HydrophobicContact CD2-CD2 4.01Å; L41-L56 HydrophobicContact CD2-CG 4.2Å |
| 42 | S | 93 | Very high | 90.7 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134.5 | 173.8 | -160 | 0 | 0 | 0 | 0 | 111.2 | M27 N28 | M27-S42 WeakPolarHBondContact O-CA 3.26Å; N28-S42 WeakPolarHBondContact OD1-CB 3.43Å; N28-S42 PolarHBondContact OD1-OG 3.13Å |
| 43 | L | 93 | Very high | 90.6 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.2 | -172.2 | -58.6 | 171.7 | 0 | 0 | 0 | 110.3 | S26 M27 L29 L41 E47 L52 R55 L81 | S26-L43 CarbonylContact C-O 3.59Å; S26-L43 WeakPolarHBondContact CA-O 3.46Å; S26-L43 WeakPolarHBondContact CB-O 3.41Å; M27-L43 HydrophobicContact CE-CB 4.48Å; M27-L43 HydrophobicContact CE-CD1 4.46Å; M27-L43 HydrophobicContact CG-CB 4.47Å; M27-L43 PolarHBondContact N-O 2.88Å; M27-L43 PolarHBondContact O-N 3.13Å; L29-L43 HydrophobicContact CD1-CD1 3.49Å; L29-L43 VanDerWaalsContact CD1-CD1 3.49Å; L29-L43 HydrophobicContact CG-CD1 4.05Å; L41-L43 HydrophobicContact CD2-CD2 4.05Å; L41-L43 HydrophobicContact CG-CD2 3.99Å; L41-L43 HydrophobicContact CG-CG 4.27Å; L43-E47 HydrophobicContact CB-CB 4.33Å; L43-E47 HydrophobicContact CD2-CG 4.38Å; L43-L52 HydrophobicContact CD1-CD1 4Å; L43-R55 VanDerWaalsContact CD2-CD 3.44Å; L43-L81 HydrophobicContact CD1-CD1 4.1Å |
| 44 | P | 91.9 | Very high | 90.7 | Very high | 49 Ų | 49 | 61 Ų | 61 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 145.5 | 163.2 | -18.8 | 31.6 | 0 | 0 | 0 | 111.1 | E46 E47 | P44-E46 PolarHBondContact O-N 3.14Å; P44-E47 WeakPolarHBondContact O-CB 3.32Å; P44-E47 PolarHBondContact O-N 3.43Å; P44-E47 VanDerWaalsContact O-N 3.09Å |
| 45 | Q | 87.4 | Confident | 91.1 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30 | 177.3 | -156 | -173.6 | -36.2 | 0 | 0 | 112.3 | P25 E47 Q82 | P25-Q45 HydrophobicContact CB-CB 4.36Å; P25-Q45 HydrophobicContact CG-CB 4.22Å; P25-Q45 WeakPolarHBondContact O-CB 3.25Å; P25-Q45 PolarHBondContact O-N 3.11Å; Q45-E47 PolarHBondContact O-N 2.76Å; Q45-Q82 HydrophobicContact CG-CG 4.36Å; Q45-Q82 PolarHBondContact O-NE2 2.96Å |
| 46 | E | 86.5 | Confident | 91.7 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.6 | 177.9 | -73.7 | -80.8 | 97.1 | 0 | 0 | 115.2 | P44 K80 | P44-E46 PolarHBondContact O-N 3.14Å; E46-K80 IonicContact OE1-NZ 2.66Å; E46-K80 PolarHBondContact OE1-NZ 2.85Å; E46-K80 WeakPolarHBondContact OE2-CE 3.43Å; E46-K80 IonicContact OE2-NZ 2.67Å; E46-K80 PolarHBondContact OE2-NZ 2.85Å |
| 47 | E | 93.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | trans | -64.2 | 142.6 | -174 | -174.4 | 102.1 | -127 | 0 | 0 | 112.9 | L43 P44 Q45 G51 R54 R55 L81 | L43-E47 HydrophobicContact CB-CB 4.33Å; L43-E47 HydrophobicContact CD2-CG 4.38Å; P44-E47 WeakPolarHBondContact O-CB 3.32Å; P44-E47 PolarHBondContact O-N 3.43Å; P44-E47 VanDerWaalsContact O-N 3.09Å; Q45-E47 PolarHBondContact O-N 2.76Å; E47-G51 WeakPolarHBondContact OE1-CA 3.39Å; E47-R54 IonicContact OE1-NH2 3.44Å; E47-R54 PolarHBondContact OE1-NH2 2.89Å; E47-R55 IonicContact OE2-CZ 3.67Å; E47-R55 IonicContact OE2-NE 2.7Å; E47-R55 PolarHBondContact OE2-NE 3.17Å; E47-R55 IonicContact OE2-NH2 2.68Å; E47-R55 PolarHBondContact OE2-NH2 2.89Å; E47-L81 HydrophobicContact CB-CD1 4.19Å; E47-L81 HydrophobicContact CG-CD1 4.33Å; E47-L81 WeakPolarHBondContact O-CD1 3.28Å; E47-L81 VanDerWaalsContact O-CG 3.25Å; E47-L81 WeakPolarHBondContact O-CG 3.35Å; E47-L81 PolarHBondContact O-N 2.81Å | ||
| 48 | T | 94.9 | Very high | 92.4 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 166.2 | 177.7 | 82.9 | 0 | 0 | 0 | 0 | 113.1 | E50 G51 L52 G79 | T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE2 3.25Å; T48-E50 PolarHBondContact O-N 2.95Å; T48-E50 PolarHBondContact OG1-N 2.68Å; T48-E50 PolarHBondContact OG1-OE2 2.91Å; T48-G51 WeakPolarHBondContact O-CA 3.48Å; T48-G51 PolarHBondContact O-N 2.9Å; T48-G51 VanDerWaalsContact O-N 3.08Å; T48-G51 PolarHBondContact OG1-N 2.68Å; T48-L52 PolarHBondContact O-N 2.9Å; T48-G79 CarbonylContact C-O 3.49Å; T48-G79 VanDerWaalsContact CA-O 3.26Å; T48-G79 WeakPolarHBondContact CA-O 3.31Å; T48-G79 VanDerWaalsContact CB-O 3.29Å; T48-G79 WeakPolarHBondContact CB-O 3.24Å |
| 49 | V | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 173.3 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | G51 K53 L76 S77 G79 L81 L84 | V49-G51 VanDerWaalsContact C-N 3.33Å; V49-K53 HydrophobicContact CG1-CD 4.06Å; V49-K53 VanDerWaalsContact CG1-CE 3.48Å; V49-K53 WeakPolarHBondContact O-CB 3.39Å; V49-K53 VanDerWaalsContact O-CG 3.24Å; V49-K53 WeakPolarHBondContact O-CG 3.39Å; V49-K53 PolarHBondContact O-N 2.95Å; V49-L76 HydrophobicContact CG1-CB 3.76Å; V49-L76 HydrophobicContact CG2-CB 4.14Å; V49-S77 WeakPolarHBondContact CG1-O 3.43Å; V49-G79 PolarHBondContact N-O 2.8Å; V49-L81 HydrophobicContact CG2-CD2 3.86Å; V49-L84 HydrophobicContact CG2-CD1 3.53Å |
| 50 | E | 92.6 | Very high | 92.2 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 173.9 | -57.1 | 74.9 | -162.6 | 0 | 0 | 111.5 | T48 K53 R54 S78 | T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE2 3.25Å; T48-E50 PolarHBondContact O-N 2.95Å; T48-E50 PolarHBondContact OG1-N 2.68Å; T48-E50 PolarHBondContact OG1-OE2 2.91Å; E50-K53 PolarHBondContact O-N 3.09Å; E50-R54 VanDerWaalsContact O-CB 3.24Å; E50-R54 WeakPolarHBondContact O-CB 3.17Å; E50-R54 PolarHBondContact O-N 2.85Å; E50-S78 WeakPolarHBondContact OE1-CA 3.35Å; E50-S78 WeakPolarHBondContact OE1-CB 3.48Å |
| 51 | G | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E47 T48 V49 R54 R55 | E47-G51 WeakPolarHBondContact OE1-CA 3.39Å; T48-G51 WeakPolarHBondContact O-CA 3.48Å; T48-G51 PolarHBondContact O-N 2.9Å; T48-G51 VanDerWaalsContact O-N 3.08Å; T48-G51 PolarHBondContact OG1-N 2.68Å; V49-G51 VanDerWaalsContact C-N 3.33Å; G51-R54 WeakPolarHBondContact O-CB 3.42Å; G51-R54 PolarHBondContact O-N 3.45Å; G51-R55 PolarHBondContact O-N 3.27Å |
| 52 | L | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 169 | 169.8 | 57.6 | 0 | 0 | 0 | 111.7 | L29 I31 L41 L43 T48 R54 R55 L56 L69 L81 L92 | L29-L52 HydrophobicContact CD1-CD2 4.2Å; I31-L52 HydrophobicContact CD1-CD1 4.45Å; L41-L52 HydrophobicContact CD2-CD1 3.59Å; L43-L52 HydrophobicContact CD1-CD1 4Å; T48-L52 PolarHBondContact O-N 2.9Å; L52-R54 VanDerWaalsContact C-N 3.3Å; L52-R54 PolarHBondContact O-N 2.99Å; L52-R55 PolarHBondContact O-N 3.38Å; L52-L56 HydrophobicContact CD1-CD1 3.65Å; L52-L56 HydrophobicContact CD1-CG 3.94Å; L52-L56 HydrophobicContact CG-CD1 3.93Å; L52-L56 WeakPolarHBondContact O-CB 3.24Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 2.95Å; L52-L56 PolarHBondContact O-N 3.08Å; L52-L69 HydrophobicContact CD2-CD1 3.65Å; L52-L69 HydrophobicContact CG-CD1 3.71Å; L52-L81 HydrophobicContact CB-CD1 4.19Å; L52-L81 HydrophobicContact CD2-CD1 4.14Å; L52-L81 HydrophobicContact CD2-CD2 3.71Å; L52-L92 HydrophobicContact CD2-CD1 3.57Å |
| 53 | K | 92.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 176.4 | -73.7 | 168.5 | -177.7 | 168.3 | 0 | 112.2 | V49 E50 S57 K64 L69 L76 S77 | V49-K53 HydrophobicContact CG1-CD 4.06Å; V49-K53 VanDerWaalsContact CG1-CE 3.48Å; V49-K53 WeakPolarHBondContact O-CB 3.39Å; V49-K53 VanDerWaalsContact O-CG 3.24Å; V49-K53 WeakPolarHBondContact O-CG 3.39Å; V49-K53 PolarHBondContact O-N 2.95Å; E50-K53 PolarHBondContact O-N 3.09Å; K53-S57 WeakPolarHBondContact O-CB 3.16Å; K53-S57 PolarHBondContact O-N 2.77Å; K53-S57 PolarHBondContact O-OG 3.21Å; K53-K64 HydrophobicContact CB-CB 4.3Å; K53-L69 HydrophobicContact CG-CD1 3.77Å; K53-L76 PolarHBondContact NZ-O 3.49Å; K53-S77 PolarHBondContact NZ-O 3.35Å |
| 54 | R | 93.3 | Very high | 91.3 | Very high | 128 Ų | 128 | 69.6 Ų | 69.6 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 174 | 170.3 | -173.2 | 63 | -146.4 | -3.8 | 111.2 | E47 E50 G51 L52 L56 S57 Q58 | E47-R54 IonicContact OE1-NH2 3.44Å; E47-R54 PolarHBondContact OE1-NH2 2.89Å; E50-R54 VanDerWaalsContact O-CB 3.24Å; E50-R54 WeakPolarHBondContact O-CB 3.17Å; E50-R54 PolarHBondContact O-N 2.85Å; G51-R54 WeakPolarHBondContact O-CB 3.42Å; G51-R54 PolarHBondContact O-N 3.45Å; L52-R54 VanDerWaalsContact C-N 3.3Å; L52-R54 PolarHBondContact O-N 2.99Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 3Å; R54-S57 WeakPolarHBondContact CA-OG 3.32Å; R54-S57 PolarHBondContact O-N 2.98Å; R54-S57 VanDerWaalsContact O-N 3.14Å; R54-S57 PolarHBondContact O-OG 2.96Å; R54-Q58 WeakPolarHBondContact O-CG 3.45Å; R54-Q58 PolarHBondContact O-N 2.7Å; R54-Q58 VanDerWaalsContact O-N 3.1Å |
| 55 | R | 93.3 | Very high | 91 | Very high | 83 Ų | 83 | 73.2 Ų | 73.2 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | -179.5 | -159.8 | -179.2 | -63.6 | -121.5 | 2.5 | 111.8 | L41 L43 E47 G51 L52 R59 | L41-R55 HydrophobicContact CD1-CG 4.35Å; L43-R55 VanDerWaalsContact CD2-CD 3.44Å; E47-R55 IonicContact OE2-CZ 3.67Å; E47-R55 IonicContact OE2-NE 2.7Å; E47-R55 PolarHBondContact OE2-NE 3.17Å; E47-R55 IonicContact OE2-NH2 2.68Å; E47-R55 PolarHBondContact OE2-NH2 2.89Å; G51-R55 PolarHBondContact O-N 3.27Å; L52-R55 PolarHBondContact O-N 3.38Å; R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.2Å; R55-R59 VanDerWaalsContact O-N 3.11Å |
| 56 | L | 92.3 | Very high | 91 | Very high | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 171.9 | -70.4 | 167.8 | 0 | 0 | 0 | 112.5 | I31 F39 L41 L52 R54 Q58 R59 L60 L67 L69 | I31-L56 HydrophobicContact CG1-CD2 4.18Å; I31-L56 HydrophobicContact CG2-CD2 4.09Å; F39-L56 HydrophobicContact CE2-CD2 3.55Å; F39-L56 HydrophobicContact CZ-CD2 3.52Å; L41-L56 HydrophobicContact CD2-CD2 4.01Å; L41-L56 HydrophobicContact CD2-CG 4.2Å; L52-L56 HydrophobicContact CD1-CD1 3.65Å; L52-L56 HydrophobicContact CD1-CG 3.94Å; L52-L56 HydrophobicContact CG-CD1 3.93Å; L52-L56 WeakPolarHBondContact O-CB 3.24Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 2.95Å; L52-L56 PolarHBondContact O-N 3.08Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 3Å; L56-Q58 VanDerWaalsContact C-N 3.29Å; L56-Q58 PolarHBondContact O-N 2.72Å; L56-R59 PolarHBondContact O-N 3.33Å; L56-L60 WeakPolarHBondContact O-CB 3.19Å; L56-L60 PolarHBondContact O-N 3.39Å; L56-L67 HydrophobicContact CB-CD1 3.84Å; L56-L69 HydrophobicContact CD1-CD1 3.83Å; L56-L69 HydrophobicContact CD1-CD2 3.73Å; L56-L69 HydrophobicContact CD1-CG 4.24Å |
| 57 | S | 92.1 | Very high | 91.2 | Very high | 23 Ų | 23 | 70 Ų | 70 | 16% | 0.161 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 179.7 | 70.3 | 0 | 0 | 0 | 0 | 112.4 | K53 R54 K61 V62 | K53-S57 WeakPolarHBondContact O-CB 3.16Å; K53-S57 PolarHBondContact O-N 2.77Å; K53-S57 PolarHBondContact O-OG 3.21Å; R54-S57 WeakPolarHBondContact CA-OG 3.32Å; R54-S57 PolarHBondContact O-N 2.98Å; R54-S57 VanDerWaalsContact O-N 3.14Å; R54-S57 PolarHBondContact O-OG 2.96Å; S57-K61 VanDerWaalsContact O-CA 3.29Å; S57-K61 WeakPolarHBondContact O-CA 3.42Å; S57-K61 PolarHBondContact O-N 3.36Å; S57-V62 WeakPolarHBondContact CA-O 3.5Å; S57-V62 WeakPolarHBondContact CB-O 3.07Å; S57-V62 PolarHBondContact O-N 2.91Å |
| 58 | Q | 92.6 | Very high | 91.1 | Very high | 132 Ų | 132 | 69.5 Ų | 69.5 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.4 | -43.9 | 174.7 | -68.3 | 168.2 | -22.6 | 0 | 0 | 112 | R54 L56 | R54-Q58 WeakPolarHBondContact O-CG 3.45Å; R54-Q58 PolarHBondContact O-N 2.7Å; R54-Q58 VanDerWaalsContact O-N 3.1Å; L56-Q58 VanDerWaalsContact C-N 3.29Å; L56-Q58 PolarHBondContact O-N 2.72Å |
| 59 | R | 89.9 | Confident | 91 | Very high | 198 Ų | 198 | 67.1 Ų | 67.1 | 75% | 0.747 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -71.3 | -36.2 | -178.3 | -74.1 | -75.5 | 168.6 | 170.6 | -3.3 | 113.4 | R55 L56 | R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.2Å; R55-R59 VanDerWaalsContact O-N 3.11Å; L56-R59 PolarHBondContact O-N 3.33Å |
| 60 | L | 88.8 | Confident | 91 | Very high | 57 Ų | 57 | 69.2 Ų | 69.2 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -96.4 | -10.4 | -177.4 | -62.2 | 176.7 | 0 | 0 | 0 | 114 | F39 L56 V62 L94 | F39-L60 HydrophobicContact CE1-CD1 4.41Å; F39-L60 HydrophobicContact CE1-CD2 3.88Å; F39-L60 HydrophobicContact CZ-CD1 4.13Å; F39-L60 HydrophobicContact CZ-CD2 4.08Å; F39-L60 HydrophobicContact CZ-CG 4.28Å; L56-L60 WeakPolarHBondContact O-CB 3.19Å; L56-L60 PolarHBondContact O-N 3.39Å; L60-V62 HydrophobicContact CB-CB 4.5Å; L60-V62 HydrophobicContact CB-CG2 4.33Å; L60-V62 PolarHBondContact O-N 2.97Å; L60-L94 HydrophobicContact CD1-CD2 3.33Å |
| 61 | K | 90.7 | Very high | 91.1 | Very high | 194 Ų | 194 | 65.5 Ų | 65.5 | 84% | 0.843 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 33.3 | -174.8 | -54.1 | 169.3 | -177.3 | 174.2 | 0 | 112.8 | S57 | S57-K61 VanDerWaalsContact O-CA 3.29Å; S57-K61 WeakPolarHBondContact O-CA 3.42Å; S57-K61 PolarHBondContact O-N 3.36Å |
| 62 | V | 88.3 | Confident | 90.9 | Very high | 46 Ų | 46 | 73.3 Ų | 73.3 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -119 | 129.1 | 178.6 | 174.8 | 0 | 0 | 0 | 0 | 108.3 | S57 L60 R66 L67 | S57-V62 WeakPolarHBondContact CA-O 3.5Å; S57-V62 WeakPolarHBondContact CB-O 3.07Å; S57-V62 PolarHBondContact O-N 2.91Å; L60-V62 HydrophobicContact CB-CB 4.5Å; L60-V62 HydrophobicContact CB-CG2 4.33Å; L60-V62 PolarHBondContact O-N 2.97Å; V62-R66 HydrophobicContact CG1-CB 3.8Å; V62-L67 HydrophobicContact CB-CD2 4.05Å; V62-L67 HydrophobicContact CG1-CD2 3.66Å; V62-L67 HydrophobicContact CG1-CG 4.24Å |
| 63 | P | 87.6 | Confident | 90.4 | Very high | 68 Ų | 68 | 82.1 Ų | 82.1 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | trans | -51.4 | 140.5 | 179.6 | -27.8 | 34.7 | 0 | 0 | 0 | 113 | E65 R66 | P63-E65 VanDerWaalsContact CB-OE2 3.3Å; P63-E65 WeakPolarHBondContact CB-OE2 3.42Å; P63-E65 PolarHBondContact O-N 3.08Å; P63-E65 VanDerWaalsContact O-N 3.13Å; P63-R66 HydrophobicContact CB-CG 4.38Å; P63-R66 WeakPolarHBondContact O-CA 3.49Å; P63-R66 WeakPolarHBondContact O-CB 3.16Å; P63-R66 PolarHBondContact O-N 3.33Å | ||
| 64 | K | 88.3 | Confident | 90.1 | Very high | 108 Ų | 108 | 84.8 Ų | 84.8 | 47% | 0.47 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -60.8 | -25.3 | -175.6 | 63.1 | -180 | -179.4 | 179.3 | 0 | 113.1 | K53 R66 L67 | K53-K64 HydrophobicContact CB-CB 4.3Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-L67 PolarHBondContact O-N 3.18Å |
| 65 | E | 86 | Confident | 90 | Very high | 124 Ų | 124 | 86.4 Ų | 86.4 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -67.2 | -29.7 | 174.3 | -58.8 | 70.7 | -154.6 | 0 | 0 | 111.6 | P63 L67 T97 | P63-E65 VanDerWaalsContact CB-OE2 3.3Å; P63-E65 WeakPolarHBondContact CB-OE2 3.42Å; P63-E65 PolarHBondContact O-N 3.08Å; P63-E65 VanDerWaalsContact O-N 3.13Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.9Å; E65-T97 PolarHBondContact O-OG1 2.92Å; E65-T97 VanDerWaalsContact O-OG1 3.1Å |
| 66 | R | 86.8 | Confident | 89.8 | Confident | 115 Ų | 115 | 82.6 Ų | 82.6 | 43% | 0.434 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -90.7 | 14.9 | 178.6 | -63.7 | -171.8 | 60.8 | -163.3 | -6.5 | 113.2 | V62 P63 K64 P96 T97 | V62-R66 HydrophobicContact CG1-CB 3.8Å; P63-R66 HydrophobicContact CB-CG 4.38Å; P63-R66 WeakPolarHBondContact O-CA 3.49Å; P63-R66 WeakPolarHBondContact O-CB 3.16Å; P63-R66 PolarHBondContact O-N 3.33Å; K64-R66 VanDerWaalsContact C-N 3.27Å; R66-P96 CarbonylContact O-C 3.53Å; R66-P96 WeakPolarHBondContact O-CA 3.45Å; R66-T97 WeakPolarHBondContact CA-OG1 3.1Å; R66-T97 PolarHBondContact O-N 3.38Å; R66-T97 PolarHBondContact O-OG1 3.43Å |
| 67 | L | 89.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 86.4 Ų | 86.4 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 105.1 | 179.6 | -57.8 | 179.4 | 0 | 0 | 0 | 111.2 | L56 V62 K64 E65 L94 T97 | L56-L67 HydrophobicContact CB-CD1 3.84Å; V62-L67 HydrophobicContact CB-CD2 4.05Å; V62-L67 HydrophobicContact CG1-CD2 3.66Å; V62-L67 HydrophobicContact CG1-CG 4.24Å; K64-L67 PolarHBondContact O-N 3.18Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.9Å; L67-L94 HydrophobicContact CB-CD1 3.93Å; L67-L94 HydrophobicContact CD2-CD1 3.89Å; L67-L94 HydrophobicContact CD2-CD2 4.29Å; L67-L94 HydrophobicContact CG-CD1 4.4Å; L67-T97 PolarHBondContact N-OG1 2.9Å |
| 68 | A | 91.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 88.4 Ų | 88.4 | 6% | 0.058 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | V95 T97 | A68-V95 HydrophobicContact CB-CB 4.32Å; A68-V95 PolarHBondContact N-O 3.04Å; A68-V95 PolarHBondContact O-N 3.11Å; A68-T97 HydrophobicContact CB-CG2 3.95Å |
| 69 | L | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141.9 | 175.7 | -70.7 | 164.1 | 0 | 0 | 0 | 109.8 | L52 K53 L56 R75 L76 T93 L94 | L52-L69 HydrophobicContact CD2-CD1 3.65Å; L52-L69 HydrophobicContact CG-CD1 3.71Å; K53-L69 HydrophobicContact CG-CD1 3.77Å; L56-L69 HydrophobicContact CD1-CD1 3.83Å; L56-L69 HydrophobicContact CD1-CD2 3.73Å; L56-L69 HydrophobicContact CD1-CG 4.24Å; L69-R75 WeakPolarHBondContact O-CA 3.47Å; L69-L76 HydrophobicContact CB-CB 4.2Å; L69-L76 HydrophobicContact CB-CD1 3.88Å; L69-L76 HydrophobicContact CB-CG 4.16Å; L69-L76 PolarHBondContact O-N 3.36Å; L69-T93 CarbonylContact C-O 3.54Å; L69-T93 WeakPolarHBondContact CA-O 3.45Å; L69-L94 HydrophobicContact CD2-CB 4.1Å; L69-L94 HydrophobicContact CD2-CD1 3.73Å; L69-L94 HydrophobicContact CG-CD1 4.24Å |
| 70 | L | 93.9 | Very high | 89.2 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.7 | 176.5 | -62 | 82.8 | 0 | 0 | 0 | 111.1 | T74 L92 T93 V95 | L70-T74 CarbonylContact C-O 3.55Å; L70-T74 WeakPolarHBondContact CA-O 3.33Å; L70-L92 WeakPolarHBondContact O-CA 3.49Å; L70-T93 PolarHBondContact N-O 3.32Å; L70-T93 PolarHBondContact O-N 3.5Å; L70-V95 HydrophobicContact CD1-CB 4.2Å; L70-V95 HydrophobicContact CD1-CG2 3.54Å |
| 71 | H | 94.2 | Very high | 89.4 | Confident | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.046 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.8 | 170.6 | -178.3 | -140.1 | 0 | 0 | 0 | 108.4 | E73 T74 L76 L84 G85 I86 L92 | H71-E73 PolarHBondContact O-N 3.32Å; H71-T74 PolarHBondContact N-O 3.45Å; H71-T74 WeakPolarHBondContact O-CB 3.48Å; H71-T74 PolarHBondContact O-N 2.83Å; H71-T74 PolarHBondContact O-OG1 3.26Å; H71-L76 HydrophobicContact CB-CD2 3.9Å; H71-L84 PolarHBondContact ND1-O 2.78Å; H71-G85 PolarHBondContact CE1-O 3.1Å; H71-I86 HydrophobicContact CB-CD1 4.31Å; H71-I86 HydrophobicContact CB-CG1 4.24Å; H71-I86 WeakPolarHBondContact ND1-CG1 3.15Å; H71-L92 HydrophobicContact CB-CD2 3.57Å |
| 72 | K | 90.1 | Very high | 89.5 | Confident | 165 Ų | 165 | 69.1 Ų | 69.1 | 72% | 0.717 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 47.7 | -178 | -60.9 | 167.1 | -175.6 | 168.3 | 0 | 111.7 | T74 | K72-T74 PolarHBondContact O-N 3.44Š|
| 73 | E | 83.4 | Confident | 89.6 | Confident | 184 Ų | 184 | 72.6 Ų | 72.6 | 86% | 0.86 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | -10.2 | -174.2 | -50 | -166.9 | 132.3 | 0 | 0 | 116.9 | H71 | H71-E73 PolarHBondContact O-N 3.32Š|
| 74 | T | 86.7 | Confident | 89.6 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 135.7 | 174 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | L70 H71 K72 | L70-T74 CarbonylContact C-O 3.55Å; L70-T74 WeakPolarHBondContact CA-O 3.33Å; H71-T74 PolarHBondContact N-O 3.45Å; H71-T74 WeakPolarHBondContact O-CB 3.48Å; H71-T74 PolarHBondContact O-N 2.83Å; H71-T74 PolarHBondContact O-OG1 3.26Å; K72-T74 PolarHBondContact O-N 3.44Å |
| 75 | R | 90 | Very high | 89.6 | Confident | 162 Ų | 162 | 69.6 Ų | 69.6 | 61% | 0.611 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 125.8 | 179.2 | -174.3 | -173 | -176.8 | -150.4 | 3.5 | 111.2 | L69 S77 | L69-R75 WeakPolarHBondContact O-CA 3.47Å; R75-S77 PolarHBondContact O-N 3.24Å |
| 76 | L | 90.4 | Very high | 90 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | trans | -77.3 | 113.2 | 177.7 | -49.2 | -176.5 | 0 | 0 | 0 | 111 | V49 K53 L69 H71 L81 L84 I86 L92 | V49-L76 HydrophobicContact CG1-CB 3.76Å; V49-L76 HydrophobicContact CG2-CB 4.14Å; K53-L76 PolarHBondContact NZ-O 3.49Å; L69-L76 HydrophobicContact CB-CB 4.2Å; L69-L76 HydrophobicContact CB-CD1 3.88Å; L69-L76 HydrophobicContact CB-CG 4.16Å; L69-L76 PolarHBondContact O-N 3.36Å; H71-L76 HydrophobicContact CB-CD2 3.9Å; L76-L81 HydrophobicContact CD1-CD2 4.48Å; L76-L84 HydrophobicContact CD2-CB 4.43Å; L76-L84 HydrophobicContact CD2-CD1 3.91Å; L76-I86 HydrophobicContact CD1-CD1 3.48Å; L76-I86 VanDerWaalsContact CD1-CD1 3.48Å; L76-I86 HydrophobicContact CD2-CD1 3.85Å; L76-I86 HydrophobicContact CG-CD1 4.34Å; L76-L92 HydrophobicContact CD1-CD1 4.3Å; L76-L92 HydrophobicContact CD1-CD2 4.18Å | ||
| 77 | S | 83.1 | Confident | 90.2 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 57% | 0.566 | 34% | 0.337 | S | S | * | . | trans | -83.6 | -73.5 | 174 | 44.6 | 0 | 0 | 0 | 0 | 111.5 | V49 K53 R75 | V49-S77 WeakPolarHBondContact CG1-O 3.43Å; K53-S77 PolarHBondContact NZ-O 3.35Å; R75-S77 PolarHBondContact O-N 3.24Å | ||
| 78 | S | 86.2 | Confident | 90.4 | Very high | 65 Ų | 65 | 65.8 Ų | 65.8 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -156.5 | 169.8 | -167 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | E50 | E50-S78 WeakPolarHBondContact OE1-CA 3.35Å; E50-S78 WeakPolarHBondContact OE1-CB 3.48Å |
| 79 | G | 90.8 | Very high | 90.5 | Very high | 33 Ų | 33 | 67.1 Ų | 67.1 | 34% | 0.34 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 105.6 | 177.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T48 V49 | T48-G79 CarbonylContact C-O 3.49Å; T48-G79 VanDerWaalsContact CA-O 3.26Å; T48-G79 WeakPolarHBondContact CA-O 3.31Å; T48-G79 VanDerWaalsContact CB-O 3.29Å; T48-G79 WeakPolarHBondContact CB-O 3.24Å; V49-G79 PolarHBondContact N-O 2.8Å |
| 80 | K | 93.4 | Very high | 90.5 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 149.5 | 172 | -70.1 | -176.2 | 168.4 | -174.2 | 0 | 109.7 | E46 D83 | E46-K80 IonicContact OE1-NZ 2.66Å; E46-K80 PolarHBondContact OE1-NZ 2.85Å; E46-K80 WeakPolarHBondContact OE2-CE 3.43Å; E46-K80 IonicContact OE2-NZ 2.67Å; E46-K80 PolarHBondContact OE2-NZ 2.85Å; K80-D83 WeakPolarHBondContact CB-OD2 3.48Å |
| 81 | L | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -37.4 | -179.2 | -68.7 | 167.3 | 0 | 0 | 0 | 112 | M27 L29 L43 E47 V49 L52 L76 D83 L84 I86 | M27-L81 HydrophobicContact CE-CB 3.86Å; M27-L81 HydrophobicContact CE-CD1 3.55Å; M27-L81 HydrophobicContact CE-CG 4.35Å; L29-L81 HydrophobicContact CD1-CD1 4.29Å; L43-L81 HydrophobicContact CD1-CD1 4.1Å; E47-L81 HydrophobicContact CB-CD1 4.19Å; E47-L81 HydrophobicContact CG-CD1 4.33Å; E47-L81 WeakPolarHBondContact O-CD1 3.28Å; E47-L81 VanDerWaalsContact O-CG 3.25Å; E47-L81 WeakPolarHBondContact O-CG 3.35Å; E47-L81 PolarHBondContact O-N 2.81Å; V49-L81 HydrophobicContact CG2-CD2 3.86Å; L52-L81 HydrophobicContact CB-CD1 4.19Å; L52-L81 HydrophobicContact CD2-CD1 4.14Å; L52-L81 HydrophobicContact CD2-CD2 3.71Å; L76-L81 HydrophobicContact CD1-CD2 4.48Å; L81-D83 PolarHBondContact O-N 3.36Å; L81-L84 PolarHBondContact O-N 2.94Å; L81-L84 VanDerWaalsContact O-N 3.13Å; L81-I86 HydrophobicContact CB-CB 4.14Å; L81-I86 HydrophobicContact CB-CD1 4.39Å; L81-I86 HydrophobicContact CB-CG2 4.37Å; L81-I86 HydrophobicContact CD2-CD1 3.66Å; L81-I86 VanDerWaalsContact O-CB 3.28Å; L81-I86 WeakPolarHBondContact O-CB 3.35Å; L81-I86 PolarHBondContact O-N 2.83Å; L81-I86 VanDerWaalsContact O-N 3.11Å |
| 82 | Q | 91.5 | Very high | 90.6 | Very high | 72 Ų | 72 | 70.9 Ų | 70.9 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -59.3 | -42.6 | 177.7 | -65.1 | -178.8 | 82.3 | 0 | 0 | 112.8 | Q45 L84 G85 | Q45-Q82 HydrophobicContact CG-CG 4.36Å; Q45-Q82 PolarHBondContact O-NE2 2.96Å; Q82-L84 PolarHBondContact O-N 2.92Å; Q82-L84 VanDerWaalsContact O-N 3.13Å; Q82-G85 WeakPolarHBondContact O-CA 3.45Å; Q82-G85 PolarHBondContact O-N 2.84Å |
| 83 | D | 90.8 | Very high | 90.8 | Very high | 119 Ų | 119 | 65.6 Ų | 65.6 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -57.9 | -28.3 | 177.7 | -49.3 | -11.8 | 0 | 0 | 0 | 112.4 | K80 L81 G85 | K80-D83 WeakPolarHBondContact CB-OD2 3.48Å; L81-D83 PolarHBondContact O-N 3.36Å; D83-G85 VanDerWaalsContact C-N 3.28Å |
| 84 | L | 87.6 | Confident | 91.3 | Very high | 68 Ų | 68 | 57 Ų | 57 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -92.8 | 14.7 | 178.6 | -54.1 | 178.7 | 0 | 0 | 0 | 112.4 | V49 H71 L76 L81 Q82 I86 | V49-L84 HydrophobicContact CG2-CD1 3.53Å; H71-L84 PolarHBondContact ND1-O 2.78Å; L76-L84 HydrophobicContact CD2-CB 4.43Å; L76-L84 HydrophobicContact CD2-CD1 3.91Å; L81-L84 PolarHBondContact O-N 2.94Å; L81-L84 VanDerWaalsContact O-N 3.13Å; Q82-L84 PolarHBondContact O-N 2.92Å; Q82-L84 VanDerWaalsContact O-N 3.13Å; L84-I86 VanDerWaalsContact C-N 3.29Å; L84-I86 HydrophobicContact CB-CD1 4.15Å; L84-I86 HydrophobicContact CB-CG1 4.39Å; L84-I86 PolarHBondContact O-N 3.1Å |
| 85 | G | 89.2 | Confident | 91.5 | Very high | 45 Ų | 45 | 55 Ų | 55 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 22.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H71 Q82 D83 | H71-G85 PolarHBondContact CE1-O 3.1Å; Q82-G85 WeakPolarHBondContact O-CA 3.45Å; Q82-G85 PolarHBondContact O-N 2.84Å; D83-G85 VanDerWaalsContact C-N 3.28Å |
| 86 | I | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -94.7 | 106 | 179.6 | -55.7 | 165.4 | 0 | 0 | 0 | 108.3 | L29 H71 L76 L81 L84 L92 | L29-I86 HydrophobicContact CD1-CG2 4.03Å; L29-I86 HydrophobicContact CD2-CG2 3.7Å; H71-I86 HydrophobicContact CB-CD1 4.31Å; H71-I86 HydrophobicContact CB-CG1 4.24Å; H71-I86 WeakPolarHBondContact ND1-CG1 3.15Å; L76-I86 HydrophobicContact CD1-CD1 3.48Å; L76-I86 VanDerWaalsContact CD1-CD1 3.48Å; L76-I86 HydrophobicContact CD2-CD1 3.85Å; L76-I86 HydrophobicContact CG-CD1 4.34Å; L81-I86 HydrophobicContact CB-CB 4.14Å; L81-I86 HydrophobicContact CB-CD1 4.39Å; L81-I86 HydrophobicContact CB-CG2 4.37Å; L81-I86 HydrophobicContact CD2-CD1 3.66Å; L81-I86 VanDerWaalsContact O-CB 3.28Å; L81-I86 WeakPolarHBondContact O-CB 3.35Å; L81-I86 PolarHBondContact O-N 2.83Å; L81-I86 VanDerWaalsContact O-N 3.11Å; L84-I86 VanDerWaalsContact C-N 3.29Å; L84-I86 HydrophobicContact CB-CD1 4.15Å; L84-I86 HydrophobicContact CB-CG1 4.39Å; L84-I86 PolarHBondContact O-N 3.1Å; I86-L92 HydrophobicContact CD1-CD2 4.1Å; I86-L92 HydrophobicContact CG1-CD2 4.33Å; I86-L92 HydrophobicContact CG2-CD2 4.47Å | ||
| 87 | S | 92.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 50.6 Ų | 50.6 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | trans | -102.5 | -180 | 174.3 | 64.5 | 0 | 0 | 0 | 0 | 112 | L29 S90 | L29-S87 VanDerWaalsContact CD2-O 3.32Å; L29-S87 WeakPolarHBondContact CD2-O 3.39Å; S87-S90 PolarHBondContact N-OG 3.35Å; S87-S90 WeakPolarHBondContact O-CB 3.45Å; S87-S90 PolarHBondContact O-N 3.11Å; S87-S90 VanDerWaalsContact O-N 3.14Å; S87-S90 PolarHBondContact O-OG 2.64Å; S87-S90 PolarHBondContact OG-OG 3.41Å | ||
| 88 | D | 93.8 | Very high | 89.9 | Confident | 92 Ų | 92 | 51.3 Ų | 51.3 | 49% | 0.492 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 146.1 | 159 | -173.2 | 66.5 | 0 | 0 | 0 | 111.9 | M27 N28 S90 | M27-D88 HydrophobicContact CB-CB 3.9Å; N28-D88 PolarHBondContact N-OD1 3.4Å; N28-D88 PolarHBondContact ND2-OD1 2.86Å; N28-D88 VanDerWaalsContact ND2-OD1 3.12Å; D88-S90 PolarHBondContact O-N 2.91Å |
| 89 | G | 92.2 | Very high | 88.5 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | -3.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N28 K91 | N28-G89 PolarHBondContact O-N 3.46Å; G89-K91 PolarHBondContact O-N 3.21Å |
| 90 | S | 94.8 | Very high | 86.4 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | trans | -68 | 132.4 | -174.4 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | Y30 S87 D88 | Y30-S90 PolarHBondContact N-O 3.1Å; S87-S90 PolarHBondContact N-OG 3.35Å; S87-S90 WeakPolarHBondContact O-CB 3.45Å; S87-S90 PolarHBondContact O-N 3.11Å; S87-S90 VanDerWaalsContact O-N 3.14Å; S87-S90 PolarHBondContact O-OG 2.64Å; S87-S90 PolarHBondContact OG-OG 3.41Å; D88-S90 PolarHBondContact O-N 2.91Å | ||
| 91 | K | 94.9 | Very high | 84.2 | Confident | 120 Ų | 120 | 56.6 Ų | 56.6 | 52% | 0.522 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.9 | 179.2 | 174.6 | 162.7 | 172.2 | 157.8 | 0 | 111.1 | H32 G89 | H32-K91 PolarHBondContact CD2-NZ 3.12Å; H32-K91 VanDerWaalsContact CE1-CE 3.47Å; H32-K91 WeakPolarHBondContact CE1-CE 3.32Å; H32-K91 WeakPolarHBondContact NE2-CE 3.44Å; H32-K91 PolarHBondContact NE2-NZ 2.69Å; G89-K91 PolarHBondContact O-N 3.21Å |
| 92 | L | 95.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | 178.2 | -60.1 | -175.6 | 0 | 0 | 0 | 110.8 | L29 Y30 I31 H32 L52 L70 H71 L76 I86 | L29-L92 HydrophobicContact CD1-CD1 3.9Å; Y30-L92 PolarHBondContact O-N 3.03Å; Y30-L92 VanDerWaalsContact O-N 3.08Å; I31-L92 HydrophobicContact CD1-CB 4.1Å; I31-L92 HydrophobicContact CD1-CD1 4.12Å; H32-L92 PolarHBondContact N-O 3.04Å; L52-L92 HydrophobicContact CD2-CD1 3.57Å; L70-L92 WeakPolarHBondContact O-CA 3.49Å; H71-L92 HydrophobicContact CB-CD2 3.57Å; L76-L92 HydrophobicContact CD1-CD1 4.3Å; L76-L92 HydrophobicContact CD1-CD2 4.18Å; I86-L92 HydrophobicContact CD1-CD2 4.1Å; I86-L92 HydrophobicContact CG1-CD2 4.33Å; I86-L92 HydrophobicContact CG2-CD2 4.47Å |
| 93 | T | 93.6 | Very high | 80.1 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.4 | 170.2 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | H32 T34 L69 L70 V95 | H32-T93 CarbonylContact O-C 3.47Å; H32-T93 WeakPolarHBondContact O-CA 3.31Å; T34-T93 HydrophobicContact CG2-CG2 4.19Å; L69-T93 CarbonylContact C-O 3.54Å; L69-T93 WeakPolarHBondContact CA-O 3.45Å; L70-T93 PolarHBondContact N-O 3.32Å; L70-T93 PolarHBondContact O-N 3.5Å; T93-V95 HydrophobicContact CG2-CG2 4.21Å |
| 94 | L | 94.1 | Very high | 78 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.8 | 172.2 | 175.8 | 67.7 | 0 | 0 | 0 | 109.7 | I31 H32 S33 T34 L60 L67 L69 | I31-L94 HydrophobicContact CG2-CB 3.98Å; I31-L94 HydrophobicContact CG2-CD2 4.42Å; H32-L94 PolarHBondContact O-N 2.86Å; S33-L94 CarbonylContact C-O 3.53Å; S33-L94 WeakPolarHBondContact CA-O 3.43Å; T34-L94 PolarHBondContact N-O 3.41Å; L60-L94 HydrophobicContact CD1-CD2 3.33Å; L67-L94 HydrophobicContact CB-CD1 3.93Å; L67-L94 HydrophobicContact CD2-CD1 3.89Å; L67-L94 HydrophobicContact CD2-CD2 4.29Å; L67-L94 HydrophobicContact CG-CD1 4.4Å; L69-L94 HydrophobicContact CD2-CB 4.1Å; L69-L94 HydrophobicContact CD2-CD1 3.73Å; L69-L94 HydrophobicContact CG-CD1 4.24Å |
| 95 | V | 90.6 | Very high | 76.1 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 28% | 0.279 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.9 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 108 | T34 A68 L70 T93 T97 | T34-V95 HydrophobicContact CG2-CG2 3.84Å; A68-V95 HydrophobicContact CB-CB 4.32Å; A68-V95 PolarHBondContact N-O 3.04Å; A68-V95 PolarHBondContact O-N 3.11Å; L70-V95 HydrophobicContact CD1-CB 4.2Å; L70-V95 HydrophobicContact CD1-CG2 3.54Å; T93-V95 HydrophobicContact CG2-CG2 4.21Å; V95-T97 PolarHBondContact O-N 3.09Å |
| 96 | P | 83.8 | Confident | 74 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 116.2 | 169.3 | -19.4 | 31.9 | 0 | 0 | 0 | 109.9 | T34 T35 R66 V98 | T34-P96 VanDerWaalsContact OG1-CD 3.23Å; T34-P96 WeakPolarHBondContact OG1-CD 3.48Å; T35-P96 HydrophobicContact CG2-CG 3.86Å; R66-P96 CarbonylContact O-C 3.53Å; R66-P96 WeakPolarHBondContact O-CA 3.45Å; P96-V98 PolarHBondContact O-N 3.22Å |
| 97 | T | 81.9 | Confident | 72.1 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | trans | -75.9 | 93.4 | 165.9 | 29 | 0 | 0 | 0 | 0 | 108.3 | E65 R66 L67 A68 V95 | E65-T97 PolarHBondContact O-OG1 2.92Å; E65-T97 VanDerWaalsContact O-OG1 3.1Å; R66-T97 WeakPolarHBondContact CA-OG1 3.1Å; R66-T97 PolarHBondContact O-N 3.38Å; R66-T97 PolarHBondContact O-OG1 3.43Å; L67-T97 PolarHBondContact N-OG1 2.9Å; A68-T97 HydrophobicContact CB-CG2 3.95Å; V95-T97 PolarHBondContact O-N 3.09Å | ||
| 98 | V | 63.8 | Low | 70.6 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | trans | -73.8 | 125.1 | 159.8 | -73.7 | 0 | 0 | 0 | 0 | 108.4 | P96 A100 | P96-V98 PolarHBondContact O-N 3.22Å; V98-A100 HydrophobicContact CG2-CB 4.49Å; V98-A100 PolarHBondContact O-N 3.06Å | ||
| 99 | E | 56.9 | Low | 68.9 | Low | 137 Ų | 137 | 70.6 Ų | 70.6 | 64% | 0.64 | 42% | 0.416 | S | S | * | . | trans | -74.7 | 73.4 | 165.8 | -75.9 | -150.2 | 111.6 | 0 | 0 | 109.9 | G101 | E99-G101 PolarHBondContact O-N 3.43Š| ||
| 100 | A | 47.1 | Very low | 68 | Low | 74 Ų | 74 | 74 Ų | 74 | 61% | 0.612 | 42% | 0.422 | S | S | * | . | trans | -75.2 | 54.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V98 L102 | V98-A100 HydrophobicContact CG2-CB 4.49Å; V98-A100 PolarHBondContact O-N 3.06Å; A100-L102 PolarHBondContact O-N 2.79Å | ||
| 101 | G | 48.3 | Very low | 67.2 | Low | 69 Ų | 69 | 77.4 Ų | 77.4 | 71% | 0.711 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 61.7 | -6.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | E99 | E99-G101 PolarHBondContact O-N 3.43Š|
| 102 | L | 47.4 | Very low | 66.5 | Low | 120 Ų | 120 | 72.3 Ų | 72.3 | 63% | 0.628 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -120.2 | -31.2 | -162.2 | -76.1 | 161 | 0 | 0 | 0 | 115.6 | A100 | A100-L102 PolarHBondContact O-N 2.79Š|
| 103 | M | 50.1 | Low | 66 | Low | 159 Ų | 159 | 73 Ų | 73 | 78% | 0.783 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -137.9 | 69.5 | -163.4 | -54.3 | -166.5 | 91.6 | 0 | 0 | 115.1 | ||
| 104 | S | 46.6 | Very low | 65.6 | Low | 52 Ų | 52 | 74.8 Ų | 74.8 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -162.6 | -36.2 | 153.1 | -84.9 | 0 | 0 | 0 | 0 | 114.8 | A106 S107 | S104-A106 PolarHBondContact O-N 2.96Å; S104-A106 VanDerWaalsContact O-N 3.1Å; S104-S107 PolarHBondContact O-N 3.4Å; S104-S107 PolarHBondContact O-OG 3.43Å |
| 105 | Q | 47.4 | Very low | 65.3 | Low | 121 Ų | 121 | 79.4 Ų | 79.4 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -59.2 | -20.8 | 175.6 | -75.8 | -168.5 | -31.6 | 0 | 0 | 114.4 | S107 | Q105-S107 PolarHBondContact O-N 3.2Š|
| 106 | A | 45.9 | Very low | 65.2 | Low | 45 Ų | 45 | 77.6 Ų | 77.6 | 37% | 0.372 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -67.7 | 3.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S104 | S104-A106 PolarHBondContact O-N 2.96Å; S104-A106 VanDerWaalsContact O-N 3.1Å |
| 107 | S | 52.3 | Low | 65.5 | Low | 93 Ų | 93 | 76 Ų | 76 | 65% | 0.65 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -86.5 | -9.6 | -173.3 | 54.7 | 0 | 0 | 0 | 0 | 115.4 | S104 Q105 | S104-S107 PolarHBondContact O-N 3.4Å; S104-S107 PolarHBondContact O-OG 3.43Å; Q105-S107 PolarHBondContact O-N 3.2Å |
| 108 | R | 60.8 | Low | 65.8 | Low | 136 Ų | 136 | 81.6 Ų | 81.6 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | trans | -140.2 | 115.4 | 175.9 | -75.4 | -178 | 176.4 | -98.6 | 1.2 | 111.9 | E110 Q111 | R108-E110 HydrophobicContact CB-CB 4.41Å; R108-E110 VanDerWaalsContact CD-OE2 3.32Å; R108-E110 WeakPolarHBondContact CD-OE2 3.23Å; R108-E110 IonicContact CZ-OE2 2.65Å; R108-E110 IonicContact NE-OE2 3.12Å; R108-E110 IonicContact NH1-OE1 3.89Å; R108-E110 IonicContact NH1-OE2 3.59Å; R108-E110 PolarHBondContact NH1-OE2 2.85Å; R108-E110 PolarHBondContact O-N 3.17Å; R108-Q111 HydrophobicContact CB-CB 4.3Å; R108-Q111 HydrophobicContact CB-CG 3.92Å; R108-Q111 WeakPolarHBondContact O-CB 3.32Å; R108-Q111 PolarHBondContact O-N 3.22Å | ||
| 109 | P | 59.7 | Low | 67 | Low | 37 Ų | 37 | 81.2 Ų | 81.2 | 24% | 0.24 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -56.3 | -32.9 | 170.9 | -22.6 | 31.9 | 0 | 0 | 0 | 112.6 | Q111 S112 V113 T399 | P109-Q111 VanDerWaalsContact C-N 3.25Å; P109-Q111 PolarHBondContact O-N 3.19Å; P109-S112 PolarHBondContact O-N 2.86Å; P109-S112 VanDerWaalsContact O-N 3.1Å; P109-V113 PolarHBondContact O-N 3.23Å; P109-T399 HydrophobicContact CB-CG2 4.08Å; P109-T399 HydrophobicContact CG-CG2 3.55Å |
| 110 | E | 71.3 | Confident | 68.6 | Low | 108 Ų | 108 | 75.7 Ų | 75.7 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -51.2 | -43.2 | 173.3 | -56 | 158.5 | 149.5 | 0 | 0 | 111.7 | R108 V113 M114 | R108-E110 HydrophobicContact CB-CB 4.41Å; R108-E110 VanDerWaalsContact CD-OE2 3.32Å; R108-E110 WeakPolarHBondContact CD-OE2 3.23Å; R108-E110 IonicContact CZ-OE2 2.65Å; R108-E110 IonicContact NE-OE2 3.12Å; R108-E110 IonicContact NH1-OE1 3.89Å; R108-E110 IonicContact NH1-OE2 3.59Å; R108-E110 PolarHBondContact NH1-OE2 2.85Å; R108-E110 PolarHBondContact O-N 3.17Å; E110-V113 PolarHBondContact O-N 3.49Å; E110-M114 WeakPolarHBondContact O-CG 3.49Å; E110-M114 PolarHBondContact O-N 2.81Å |
| 111 | Q | 78.6 | Confident | 70.9 | Confident | 84 Ų | 84 | 75.5 Ų | 75.5 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 179.3 | -71.7 | 179.7 | -22.8 | 0 | 0 | 112 | R108 P109 M114 Q115 | R108-Q111 HydrophobicContact CB-CB 4.3Å; R108-Q111 HydrophobicContact CB-CG 3.92Å; R108-Q111 WeakPolarHBondContact O-CB 3.32Å; R108-Q111 PolarHBondContact O-N 3.22Å; P109-Q111 VanDerWaalsContact C-N 3.25Å; P109-Q111 PolarHBondContact O-N 3.19Å; Q111-M114 HydrophobicContact CG-CE 4.17Å; Q111-M114 PolarHBondContact O-N 2.72Å; Q111-Q115 VanDerWaalsContact O-CB 3.28Å; Q111-Q115 WeakPolarHBondContact O-CB 3.37Å; Q111-Q115 PolarHBondContact O-N 3.47Å |
| 112 | S | 81.3 | Confident | 73 | Confident | 13 Ų | 13 | 79.8 Ų | 79.8 | 9% | 0.091 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -72.2 | -31.1 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 113 | P109 A116 R140 | P109-S112 PolarHBondContact O-N 2.86Å; P109-S112 VanDerWaalsContact O-N 3.1Å; S112-A116 WeakPolarHBondContact O-CB 3.45Å; S112-A116 PolarHBondContact O-N 3.3Å; S112-R140 VanDerWaalsContact CB-O 3.24Å; S112-R140 WeakPolarHBondContact CB-O 3.38Å; S112-R140 PolarHBondContact OG-N 2.93Å; S112-R140 PolarHBondContact OG-O 2.99Å |
| 113 | V | 84.3 | Confident | 75.2 | Confident | 15 Ų | 15 | 78.4 Ų | 78.4 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 173.1 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | P109 E110 A116 L117 L139 L372 L375 | P109-V113 PolarHBondContact O-N 3.23Å; E110-V113 PolarHBondContact O-N 3.49Å; V113-A116 PolarHBondContact O-N 3.38Å; V113-L117 HydrophobicContact CG1-CD1 3.95Å; V113-L117 HydrophobicContact CG1-CG 4.46Å; V113-L117 WeakPolarHBondContact O-CB 3.3Å; V113-L117 VanDerWaalsContact O-CG 3.25Å; V113-L117 WeakPolarHBondContact O-CG 3.03Å; V113-L117 PolarHBondContact O-N 2.92Å; V113-L139 HydrophobicContact CG2-CD1 4.39Å; V113-L139 HydrophobicContact CG2-CD2 4.1Å; V113-L372 HydrophobicContact CG1-CD1 3.82Å; V113-L375 HydrophobicContact CG1-CD1 4.04Å |
| 114 | M | 86.1 | Confident | 77.3 | Confident | 92 Ų | 92 | 75 Ų | 75 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 174.3 | -68.6 | -175.6 | -59 | 0 | 0 | 111.7 | E110 Q111 A116 L117 E118 | E110-M114 WeakPolarHBondContact O-CG 3.49Å; E110-M114 PolarHBondContact O-N 2.81Å; Q111-M114 HydrophobicContact CG-CE 4.17Å; Q111-M114 PolarHBondContact O-N 2.72Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 2.93Å; M114-L117 CarbonylContact O-C 3.59Å; M114-L117 WeakPolarHBondContact O-CA 3.36Å; M114-L117 PolarHBondContact O-N 3.31Å; M114-E118 VanDerWaalsContact O-CG 3.3Å; M114-E118 WeakPolarHBondContact O-CG 3.1Å; M114-E118 PolarHBondContact O-N 3.32Å |
| 115 | Q | 86.9 | Confident | 79.6 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.1 | -36.3 | 178.3 | -174.1 | 177.5 | 39.6 | 0 | 0 | 113.5 | Q111 | Q111-Q115 VanDerWaalsContact O-CB 3.28Å; Q111-Q115 WeakPolarHBondContact O-CB 3.37Å; Q111-Q115 PolarHBondContact O-N 3.47Å |
| 116 | A | 87.9 | Confident | 81.7 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S112 V113 M114 S119 L139 | S112-A116 WeakPolarHBondContact O-CB 3.45Å; S112-A116 PolarHBondContact O-N 3.3Å; V113-A116 PolarHBondContact O-N 3.38Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 2.93Å; A116-S119 PolarHBondContact O-N 2.77Å; A116-S119 PolarHBondContact O-OG 2.74Å; A116-L139 HydrophobicContact CB-CD2 3.63Å |
| 117 | L | 90 | Very high | 84 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.3 | -34.1 | 176.9 | -67.8 | 175.8 | 0 | 0 | 0 | 113 | V113 M114 S119 L120 I368 I371 L372 L375 | V113-L117 HydrophobicContact CG1-CD1 3.95Å; V113-L117 HydrophobicContact CG1-CG 4.46Å; V113-L117 WeakPolarHBondContact O-CB 3.3Å; V113-L117 VanDerWaalsContact O-CG 3.25Å; V113-L117 WeakPolarHBondContact O-CG 3.03Å; V113-L117 PolarHBondContact O-N 2.92Å; M114-L117 CarbonylContact O-C 3.59Å; M114-L117 WeakPolarHBondContact O-CA 3.36Å; M114-L117 PolarHBondContact O-N 3.31Å; L117-S119 PolarHBondContact O-N 2.7Å; L117-L120 HydrophobicContact CD2-CD1 3.71Å; L117-L120 WeakPolarHBondContact O-CB 3.13Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-L120 VanDerWaalsContact O-N 3.1Å; L117-I368 HydrophobicContact CB-CG2 3.77Å; L117-I368 HydrophobicContact CD1-CG2 4.1Å; L117-I368 HydrophobicContact CD2-CG2 4.33Å; L117-I368 HydrophobicContact CG-CG2 4.28Å; L117-I371 HydrophobicContact CD2-CB 4.11Å; L117-I371 HydrophobicContact CD2-CG2 3.59Å; L117-L372 HydrophobicContact CD1-CB 3.95Å; L117-L372 HydrophobicContact CD1-CD1 3.78Å; L117-L372 HydrophobicContact CD1-CG 4.43Å; L117-L375 HydrophobicContact CD1-CD1 4.42Å; L117-L375 HydrophobicContact CD2-CD1 4.14Å |
| 118 | E | 88.6 | Confident | 86 | Confident | 148 Ų | 148 | 64 Ų | 64 | 69% | 0.692 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.1 | -25.3 | 172.1 | -75.6 | 162.2 | -155.6 | 0 | 0 | 112.7 | M114 | M114-E118 VanDerWaalsContact O-CG 3.3Å; M114-E118 WeakPolarHBondContact O-CG 3.1Å; M114-E118 PolarHBondContact O-N 3.32Å |
| 119 | S | 88.3 | Confident | 87.5 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 62% | 0.622 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.1 | 177.8 | 77.6 | 0 | 0 | 0 | 0 | 114.5 | A116 L117 | A116-S119 PolarHBondContact O-N 2.77Å; A116-S119 PolarHBondContact O-OG 2.74Å; L117-S119 PolarHBondContact O-N 2.7Å |
| 120 | L | 92.6 | Very high | 89 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | trans | -86.1 | 137.6 | -177.7 | -60 | -177.3 | 0 | 0 | 0 | 112.3 | L117 V125 L135 L137 | L117-L120 HydrophobicContact CD2-CD1 3.71Å; L117-L120 WeakPolarHBondContact O-CB 3.13Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-L120 VanDerWaalsContact O-N 3.1Å; L120-V125 HydrophobicContact CB-CG2 4.17Å; L120-V125 HydrophobicContact CD1-CG2 4.22Å; L120-L135 HydrophobicContact CD1-CD1 4.02Å; L120-L135 HydrophobicContact CD1-CD2 4.28Å; L120-L135 HydrophobicContact CD2-CD1 3.76Å; L120-L137 HydrophobicContact CD1-CD2 4Å; L120-L137 HydrophobicContact CD2-CD2 3.88Å; L120-L137 HydrophobicContact CG-CD2 4.31Å | ||
| 121 | T | 93.8 | Very high | 90 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 44% | 0.436 | 31% | 0.309 | S | S | . | . | trans | -83.3 | 153.8 | 168.4 | 70.2 | 0 | 0 | 0 | 0 | 111.5 | T123 Q124 V125 | T121-T123 PolarHBondContact O-N 3.18Å; T121-Q124 PolarHBondContact O-N 2.93Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.29Å; T121-Q124 PolarHBondContact OG1-N 2.82Å; T121-V125 PolarHBondContact O-N 3.23Å; T121-V125 VanDerWaalsContact O-N 3.09Å | ||
| 122 | E | 93 | Very high | 90.6 | Very high | 159 Ų | 159 | 61 Ų | 61 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.7 | -37.2 | 171.8 | -172.3 | -176 | 168.3 | 0 | 0 | 111.7 | Q124 V125 S126 | E122-Q124 PolarHBondContact O-N 2.95Å; E122-V125 PolarHBondContact O-N 3.01Å; E122-S126 WeakPolarHBondContact O-CB 3Å; E122-S126 PolarHBondContact O-N 3.42Å |
| 123 | T | 93.7 | Very high | 91.2 | Very high | 90 Ų | 90 | 62.1 Ų | 62.1 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.6 | -47.5 | 174.3 | -39.1 | 0 | 0 | 0 | 0 | 112 | T121 V125 S126 D127 | T121-T123 PolarHBondContact O-N 3.18Å; T123-V125 PolarHBondContact O-N 3.34Å; T123-S126 PolarHBondContact O-N 3.1Å; T123-D127 WeakPolarHBondContact O-CB 3.39Å; T123-D127 PolarHBondContact O-N 3.49Å |
| 124 | Q | 93.8 | Very high | 91.8 | Very high | 87 Ų | 87 | 64.2 Ų | 64.2 | 41% | 0.407 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.8 | -72.2 | 168.2 | -34.1 | 0 | 0 | 112.1 | T121 E122 F128 | T121-Q124 PolarHBondContact O-N 2.93Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.29Å; T121-Q124 PolarHBondContact OG1-N 2.82Å; E122-Q124 PolarHBondContact O-N 2.95Å; Q124-F128 WeakPolarHBondContact O-CB 3.18Å; Q124-F128 PolarHBondContact O-N 3.33Å |
| 125 | V | 94.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L120 T121 E122 T123 L129 I368 I371 | L120-V125 HydrophobicContact CB-CG2 4.17Å; L120-V125 HydrophobicContact CD1-CG2 4.22Å; T121-V125 PolarHBondContact O-N 3.23Å; T121-V125 VanDerWaalsContact O-N 3.09Å; E122-V125 PolarHBondContact O-N 3.01Å; T123-V125 PolarHBondContact O-N 3.34Å; V125-L129 HydrophobicContact CG1-CD1 3.83Å; V125-L129 VanDerWaalsContact O-CB 3.32Å; V125-L129 WeakPolarHBondContact O-CB 3.19Å; V125-L129 WeakPolarHBondContact O-CG 3.26Å; V125-L129 PolarHBondContact O-N 2.83Å; V125-I368 HydrophobicContact CG2-CG1 3.97Å; V125-I371 HydrophobicContact CG1-CD1 4.23Å; V125-I371 HydrophobicContact CG1-CG1 4.03Å; V125-I371 HydrophobicContact CG2-CG1 4.3Å |
| 126 | S | 91.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.6 | -42.5 | -179.1 | -170.6 | 0 | 0 | 0 | 0 | 112.9 | E122 T123 S130 R366 | E122-S126 WeakPolarHBondContact O-CB 3Å; E122-S126 PolarHBondContact O-N 3.42Å; T123-S126 PolarHBondContact O-N 3.1Å; S126-S130 VanDerWaalsContact O-CB 3.31Å; S126-S130 WeakPolarHBondContact O-CB 3.17Å; S126-S130 PolarHBondContact O-N 3.19Å; S126-S130 PolarHBondContact O-OG 3.13Å; S126-R366 WeakPolarHBondContact OG-CD 3.34Å |
| 127 | D | 94 | Very high | 92.9 | Very high | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.219 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 177.3 | -76.4 | -33 | 0 | 0 | 0 | 111.8 | T123 S130 G131 R132 S133 | T123-D127 WeakPolarHBondContact O-CB 3.39Å; T123-D127 PolarHBondContact O-N 3.49Å; D127-S130 WeakPolarHBondContact CA-OG 3.42Å; D127-S130 PolarHBondContact O-OG 3.38Å; D127-G131 PolarHBondContact O-N 3.14Å; D127-R132 HydrophobicContact CB-CB 4.13Å; D127-R132 WeakPolarHBondContact O-CB 3.38Å; D127-R132 PolarHBondContact O-N 3.19Å; D127-R132 WeakPolarHBondContact OD1-CD 3.34Å; D127-R132 IonicContact OD1-CZ 3.45Å; D127-R132 IonicContact OD1-NE 3.79Å; D127-R132 IonicContact OD1-NH1 2.9Å; D127-R132 PolarHBondContact OD1-NH1 3.36Å; D127-S133 WeakPolarHBondContact CB-OG 3.43Å; D127-S133 PolarHBondContact O-N 3.31Å |
| 128 | F | 95 | Very high | 92.9 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -50.6 | 171 | 171.3 | -105.1 | 0 | 0 | 0 | 111.9 | Q124 S130 G131 L135 L150 L152 I371 I374 | Q124-F128 WeakPolarHBondContact O-CB 3.18Å; Q124-F128 PolarHBondContact O-N 3.33Å; F128-S130 PolarHBondContact O-N 3.42Å; F128-G131 PolarHBondContact O-N 2.87Å; F128-L135 HydrophobicContact CB-CB 4.02Å; F128-L135 HydrophobicContact CD1-CB 4.27Å; F128-L135 HydrophobicContact CD1-CD2 4.02Å; F128-L135 HydrophobicContact CD2-CB 3.47Å; F128-L135 VanDerWaalsContact CD2-CB 3.47Å; F128-L135 HydrophobicContact CE1-CD2 4.35Å; F128-L135 HydrophobicContact CE2-CB 3.98Å; F128-L135 HydrophobicContact CG-CB 3.64Å; F128-L135 HydrophobicContact CG-CD2 4.18Å; F128-L150 HydrophobicContact CE2-CB 3.7Å; F128-L150 HydrophobicContact CZ-CB 3.79Å; F128-L150 HydrophobicContact CZ-CD1 4.27Å; F128-L152 HydrophobicContact CE1-CD2 4.27Å; F128-L152 HydrophobicContact CE1-CG 4.47Å; F128-L152 HydrophobicContact CE2-CD2 4.22Å; F128-L152 HydrophobicContact CE2-CG 4.02Å; F128-L152 HydrophobicContact CZ-CD2 3.75Å; F128-L152 HydrophobicContact CZ-CG 3.98Å; F128-L152 VanDerWaalsContact O-CD1 3.24Å; F128-L152 WeakPolarHBondContact O-CD1 3.37Å; F128-I371 HydrophobicContact CD1-CD1 3.53Å; F128-I371 HydrophobicContact CE1-CD1 3.81Å; F128-I374 HydrophobicContact CE1-CD1 4.27Å |
| 129 | L | 92.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 54.7 Ų | 54.7 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.8 | -9.4 | -178.9 | -69.4 | 172.3 | 0 | 0 | 0 | 114.1 | V125 R365 T370 I371 I374 | V125-L129 HydrophobicContact CG1-CD1 3.83Å; V125-L129 VanDerWaalsContact O-CB 3.32Å; V125-L129 WeakPolarHBondContact O-CB 3.19Å; V125-L129 WeakPolarHBondContact O-CG 3.26Å; V125-L129 PolarHBondContact O-N 2.83Å; L129-R365 WeakPolarHBondContact CD1-O 3.48Å; L129-T370 HydrophobicContact CD1-CG2 4.22Å; L129-T370 HydrophobicContact CD2-CG2 4.14Å; L129-I371 HydrophobicContact CD1-CD1 3.81Å; L129-I371 HydrophobicContact CD2-CD1 3.94Å; L129-I371 HydrophobicContact CG-CD1 3.77Å; L129-I374 HydrophobicContact CD2-CD1 4.04Å |
| 130 | S | 91 | Very high | 92.6 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 6.3 | 166.8 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | S126 D127 F128 R132 | S126-S130 VanDerWaalsContact O-CB 3.31Å; S126-S130 WeakPolarHBondContact O-CB 3.17Å; S126-S130 PolarHBondContact O-N 3.19Å; S126-S130 PolarHBondContact O-OG 3.13Å; D127-S130 WeakPolarHBondContact CA-OG 3.42Å; D127-S130 PolarHBondContact O-OG 3.38Å; F128-S130 PolarHBondContact O-N 3.42Å; S130-R132 VanDerWaalsContact C-N 3.28Å; S130-R132 PolarHBondContact O-N 2.73Å; S130-R132 WeakPolarHBondContact OG-CD 3.23Å |
| 131 | G | 91.4 | Very high | 91.9 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 38% | 0.381 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 11.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | D127 F128 | D127-G131 PolarHBondContact O-N 3.14Å; F128-G131 PolarHBondContact O-N 2.87Å |
| 132 | R | 92.4 | Very high | 91.1 | Very high | 193 Ų | 193 | 51.2 Ų | 51.2 | 73% | 0.728 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -79.9 | -28.2 | -177 | -66.6 | 171.4 | 167.9 | -176.8 | -4 | 113.6 | D127 S130 | D127-R132 HydrophobicContact CB-CB 4.13Å; D127-R132 WeakPolarHBondContact O-CB 3.38Å; D127-R132 PolarHBondContact O-N 3.19Å; D127-R132 WeakPolarHBondContact OD1-CD 3.34Å; D127-R132 IonicContact OD1-CZ 3.45Å; D127-R132 IonicContact OD1-NE 3.79Å; D127-R132 IonicContact OD1-NH1 2.9Å; D127-R132 PolarHBondContact OD1-NH1 3.36Å; S130-R132 VanDerWaalsContact C-N 3.28Å; S130-R132 PolarHBondContact O-N 2.73Å; S130-R132 WeakPolarHBondContact OG-CD 3.23Å |
| 133 | S | 93.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -143.7 | 151 | -177.1 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | D127 | D127-S133 WeakPolarHBondContact CB-OG 3.43Å; D127-S133 PolarHBondContact O-N 3.31Å |
| 134 | P | 95.5 | Very high | 89.4 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | trans | -72.8 | 143.8 | 165.7 | 28.8 | -32.7 | 0 | 0 | 0 | 110.8 | Q149 L150 | P134-Q149 HydrophobicContact CB-CG 4.16Å; P134-L150 CarbonylContact C-O 3.49Å; P134-L150 VanDerWaalsContact CA-O 3.3Å; P134-L150 WeakPolarHBondContact CA-O 3.49Å | ||
| 135 | L | 96.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.3 | 174.6 | -179.6 | 62.7 | 0 | 0 | 0 | 109.7 | L120 F128 L137 Q149 L150 I371 | L120-L135 HydrophobicContact CD1-CD1 4.02Å; L120-L135 HydrophobicContact CD1-CD2 4.28Å; L120-L135 HydrophobicContact CD2-CD1 3.76Å; F128-L135 HydrophobicContact CB-CB 4.02Å; F128-L135 HydrophobicContact CD1-CB 4.27Å; F128-L135 HydrophobicContact CD1-CD2 4.02Å; F128-L135 HydrophobicContact CD2-CB 3.47Å; F128-L135 VanDerWaalsContact CD2-CB 3.47Å; F128-L135 HydrophobicContact CE1-CD2 4.35Å; F128-L135 HydrophobicContact CE2-CB 3.98Å; F128-L135 HydrophobicContact CG-CB 3.64Å; F128-L135 HydrophobicContact CG-CD2 4.18Å; L135-L137 HydrophobicContact CD1-CD2 4.05Å; L135-L137 HydrophobicContact CD2-CD2 4.29Å; L135-L137 HydrophobicContact CG-CD2 3.96Å; L135-L137 HydrophobicContact CG-CG 4.28Å; L135-Q149 CarbonylContact O-C 3.58Å; L135-Q149 WeakPolarHBondContact O-CA 3.45Å; L135-L150 PolarHBondContact N-O 2.57Å; L135-L150 PolarHBondContact O-N 3.05Å; L135-I371 HydrophobicContact CD2-CD1 4.2Å; L135-I371 HydrophobicContact CD2-CG2 3.71Å |
| 136 | T | 94.9 | Very high | 88.7 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.3 | 178.2 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | V148 | T136-V148 WeakPolarHBondContact CA-O 3.4Å |
| 137 | L | 93.7 | Very high | 88.6 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.6 | -178.9 | -53.6 | 179 | 0 | 0 | 0 | 110.7 | L120 L135 F147 V148 L375 | L120-L137 HydrophobicContact CD1-CD2 4Å; L120-L137 HydrophobicContact CD2-CD2 3.88Å; L120-L137 HydrophobicContact CG-CD2 4.31Å; L135-L137 HydrophobicContact CD1-CD2 4.05Å; L135-L137 HydrophobicContact CD2-CD2 4.29Å; L135-L137 HydrophobicContact CG-CD2 3.96Å; L135-L137 HydrophobicContact CG-CG 4.28Å; L137-F147 WeakPolarHBondContact O-CA 3.2Å; L137-V148 PolarHBondContact N-O 3.04Å; L137-V148 PolarHBondContact O-N 3.36Å; L137-L375 HydrophobicContact CD1-CD1 3.68Å; L137-L375 HydrophobicContact CD1-CD2 4.02Å; L137-L375 HydrophobicContact CD1-CG 4.41Å |
| 138 | A | 90.5 | Very high | 88.5 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 108.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | M145 F147 | A138-M145 HydrophobicContact CB-CE 4.07Å; A138-F147 HydrophobicContact CB-CD1 3.96Å; A138-F147 HydrophobicContact CB-CE1 3.69Å |
| 139 | L | 87.6 | Confident | 88.5 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.4 | -179.8 | -57.3 | -179.3 | 0 | 0 | 0 | 109.9 | V113 A116 M146 V148 | V113-L139 HydrophobicContact CG2-CD1 4.39Å; V113-L139 HydrophobicContact CG2-CD2 4.1Å; A116-L139 HydrophobicContact CB-CD2 3.63Å; L139-M146 HydrophobicContact CB-CB 4.41Å; L139-M146 PolarHBondContact N-O 3.08Å; L139-M146 PolarHBondContact O-N 3.14Å; L139-V148 HydrophobicContact CD1-CG2 3.75Å; L139-V148 HydrophobicContact CG-CG2 4.36Å |
| 140 | R | 82.1 | Confident | 88.5 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.5 | 174.3 | -172.9 | 175.6 | -179.8 | 178.5 | 1.7 | 109.6 | S112 G142 H144 M145 | S112-R140 VanDerWaalsContact CB-O 3.24Å; S112-R140 WeakPolarHBondContact CB-O 3.38Å; S112-R140 PolarHBondContact OG-N 2.93Å; S112-R140 PolarHBondContact OG-O 2.99Å; R140-G142 WeakPolarHBondContact CG-O 3.47Å; R140-G142 PolarHBondContact NE-O 3.01Å; R140-H144 WeakPolarHBondContact CA-O 3.23Å; R140-M145 HydrophobicContact CB-SD 3.87Å; R140-M145 HydrophobicContact CG-SD 4Å |
| 141 | V | 79.1 | Confident | 88.7 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 95.9 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 107.2 | D143 H144 L395 Q398 | V141-D143 PolarHBondContact O-N 3.3Å; V141-H144 PolarHBondContact N-O 3.3Å; V141-H144 PolarHBondContact O-N 3.28Å; V141-H144 VanDerWaalsContact O-N 3.08Å; V141-L395 HydrophobicContact CG1-CD2 4.05Å; V141-L395 HydrophobicContact CG1-CG 4.12Å; V141-L395 HydrophobicContact CG2-CD2 4.25Å; V141-Q398 PolarHBondContact O-OE1 2.85Å |
| 142 | G | 76.6 | Confident | 88.7 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 9% | 0.093 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -124.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R140 H144 Q398 | R140-G142 WeakPolarHBondContact CG-O 3.47Å; R140-G142 PolarHBondContact NE-O 3.01Å; G142-H144 VanDerWaalsContact C-N 3.33Å; G142-Q398 VanDerWaalsContact CA-OE1 3.25Å |
| 143 | D | 75.4 | Confident | 88.3 | Confident | 131 Ų | 131 | 64.8 Ų | 64.8 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 7.7 | 175.9 | -59.3 | -45.5 | 0 | 0 | 0 | 113.1 | V141 | V141-D143 PolarHBondContact O-N 3.3Š|
| 144 | H | 75.8 | Confident | 87.3 | Confident | 136 Ų | 136 | 67.7 Ų | 67.7 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.7 | -179.1 | -60.1 | -28.7 | 0 | 0 | 0 | 112 | R140 V141 G142 | R140-H144 WeakPolarHBondContact CA-O 3.23Å; V141-H144 PolarHBondContact N-O 3.3Å; V141-H144 PolarHBondContact O-N 3.28Å; V141-H144 VanDerWaalsContact O-N 3.08Å; G142-H144 VanDerWaalsContact C-N 3.33Å |
| 145 | M | 86.1 | Confident | 85.6 | Confident | 105 Ų | 105 | 72.9 Ų | 72.9 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.6 | 169 | -65.9 | -60.7 | -62.1 | 0 | 0 | 109.1 | A138 R140 F147 | A138-M145 HydrophobicContact CB-CE 4.07Å; R140-M145 HydrophobicContact CB-SD 3.87Å; R140-M145 HydrophobicContact CG-SD 4Å; M145-F147 HydrophobicContact CB-CE2 4.07Å; M145-F147 HydrophobicContact CB-CZ 4.42Å |
| 146 | M | 86 | Confident | 83.3 | Confident | 59 Ų | 59 | 81.6 Ų | 81.6 | 29% | 0.291 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.5 | 172.7 | -179.5 | -175.7 | -169.1 | 0 | 0 | 108.6 | L139 V148 L395 | L139-M146 HydrophobicContact CB-CB 4.41Å; L139-M146 PolarHBondContact N-O 3.08Å; L139-M146 PolarHBondContact O-N 3.14Å; M146-V148 HydrophobicContact CE-CG2 3.95Å; M146-V148 HydrophobicContact CG-CG2 4.04Å; M146-V148 HydrophobicContact SD-CG2 4.07Å; M146-L395 HydrophobicContact CE-CD1 4.22Å; M146-L395 HydrophobicContact SD-CD1 3.69Å |
| 147 | F | 91 | Very high | 80.9 | Confident | 143 Ų | 143 | 83 Ų | 83 | 63% | 0.627 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.3 | 172.9 | -64.6 | -86.1 | 0 | 0 | 0 | 109 | L137 A138 M145 | L137-F147 WeakPolarHBondContact O-CA 3.2Å; A138-F147 HydrophobicContact CB-CD1 3.96Å; A138-F147 HydrophobicContact CB-CE1 3.69Å; M145-F147 HydrophobicContact CB-CE2 4.07Å; M145-F147 HydrophobicContact CB-CZ 4.42Å |
| 148 | V | 91.4 | Very high | 78.3 | Confident | 26 Ų | 26 | 86.7 Ų | 86.7 | 16% | 0.158 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 109 | -179 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | T136 L137 L139 M146 L150 | T136-V148 WeakPolarHBondContact CA-O 3.4Å; L137-V148 PolarHBondContact N-O 3.04Å; L137-V148 PolarHBondContact O-N 3.36Å; L139-V148 HydrophobicContact CD1-CG2 3.75Å; L139-V148 HydrophobicContact CG-CG2 4.36Å; M146-V148 HydrophobicContact CE-CG2 3.95Å; M146-V148 HydrophobicContact CG-CG2 4.04Å; M146-V148 HydrophobicContact SD-CG2 4.07Å; V148-L150 HydrophobicContact CG1-CD2 3.86Å; V148-L150 HydrophobicContact CG1-CG 4.18Å |
| 149 | Q | 94.3 | Very high | 76 | Confident | 133 Ų | 133 | 87.2 Ų | 87.2 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 115.8 | 170.7 | -175.1 | 175.1 | -10.5 | 0 | 0 | 109.1 | P134 L135 | P134-Q149 HydrophobicContact CB-CG 4.16Å; L135-Q149 CarbonylContact O-C 3.58Å; L135-Q149 WeakPolarHBondContact O-CA 3.45Å |
| 150 | L | 94.3 | Very high | 73.7 | Confident | 23 Ų | 23 | 92.5 Ų | 92.5 | 12% | 0.12 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.2 | 171 | -57.5 | -176.7 | 0 | 0 | 0 | 109.5 | F128 P134 L135 V148 I374 L375 L378 | F128-L150 HydrophobicContact CE2-CB 3.7Å; F128-L150 HydrophobicContact CZ-CB 3.79Å; F128-L150 HydrophobicContact CZ-CD1 4.27Å; P134-L150 CarbonylContact C-O 3.49Å; P134-L150 VanDerWaalsContact CA-O 3.3Å; P134-L150 WeakPolarHBondContact CA-O 3.49Å; L135-L150 PolarHBondContact N-O 2.57Å; L135-L150 PolarHBondContact O-N 3.05Å; V148-L150 HydrophobicContact CG1-CD2 3.86Å; V148-L150 HydrophobicContact CG1-CG 4.18Å; L150-I374 HydrophobicContact CD1-CG2 4.15Å; L150-L375 HydrophobicContact CD1-CD2 3.95Å; L150-L378 HydrophobicContact CD1-CD1 4.34Å; L150-L378 HydrophobicContact CD2-CD1 3.63Å |
| 151 | Q | 94.2 | Very high | 71.7 | Confident | 104 Ų | 104 | 96.2 Ų | 96.2 | 49% | 0.486 | 55% | 0.553 | S | S | . | * | trans | -138.6 | 125.6 | 172 | 175.5 | 58.8 | 64.1 | 0 | 0 | 106.9 | ||||
| 152 | L | 91.8 | Very high | 70.2 | Confident | 54 Ų | 54 | 102.9 Ų | 102.9 | 28% | 0.283 | 59% | 0.587 | S | S | . | * | trans | -67.7 | 135.4 | 167.5 | -62.6 | -171.4 | 0 | 0 | 0 | 108.5 | F128 | F128-L152 HydrophobicContact CE1-CD2 4.27Å; F128-L152 HydrophobicContact CE1-CG 4.47Å; F128-L152 HydrophobicContact CE2-CD2 4.22Å; F128-L152 HydrophobicContact CE2-CG 4.02Å; F128-L152 HydrophobicContact CZ-CD2 3.75Å; F128-L152 HydrophobicContact CZ-CG 3.98Å; F128-L152 VanDerWaalsContact O-CD1 3.24Å; F128-L152 WeakPolarHBondContact O-CD1 3.37Å | ||
| 153 | A | 84.3 | Confident | 68.7 | Low | 91 Ų | 91 | 109.8 Ų | 109.8 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | trans | -56 | 148.2 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q155 | A153-Q155 VanDerWaalsContact C-N 3.3Å; A153-Q155 PolarHBondContact O-N 2.94Å | ||
| 154 | A | 72.3 | Confident | 66.6 | Low | 96 Ų | 96 | 111.6 Ų | 111.6 | 79% | 0.793 | 62% | 0.621 | S | S | * | * | trans | -65 | 90.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q156 | A154-Q156 PolarHBondContact O-N 3.01Š| ||
| 155 | Q | 60.3 | Low | 64.9 | Low | 169 Ų | 169 | 114.3 Ų | 114.3 | 79% | 0.79 | 63% | 0.626 | S | S | * | * | trans | -63.7 | 104.1 | 176.2 | -176.7 | 175.5 | 1.2 | 0 | 0 | 107.3 | A153 S157 | A153-Q155 VanDerWaalsContact C-N 3.3Å; A153-Q155 PolarHBondContact O-N 2.94Å; Q155-S157 VanDerWaalsContact C-N 3.29Å; Q155-S157 PolarHBondContact O-N 2.97Å | ||
| 156 | Q | 48.1 | Very low | 62.5 | Low | 191 Ų | 191 | 117.8 Ų | 117.8 | 89% | 0.893 | 64% | 0.64 | S | S | * | * | trans | -66.2 | 91.8 | -179.6 | -62.9 | -178.8 | 30.2 | 0 | 0 | 108.3 | A154 G158 | A154-Q156 PolarHBondContact O-N 3.01Å; Q156-G158 PolarHBondContact O-N 3.48Å; Q156-G158 VanDerWaalsContact O-N 3.17Å | ||
| 157 | S | 43.4 | Very low | 60.3 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | trans | -61.3 | 117.2 | 172.5 | 46.2 | 0 | 0 | 0 | 0 | 107.8 | Q155 G159 | Q155-S157 VanDerWaalsContact C-N 3.29Å; Q155-S157 PolarHBondContact O-N 2.97Å; S157-G159 VanDerWaalsContact C-N 3.28Å; S157-G159 PolarHBondContact O-N 2.93Å | ||
| 158 | G | 40.7 | Very low | 57.8 | Low | 82 Ų | 82 | 122.4 Ų | 122.4 | 85% | 0.845 | 67% | 0.67 | S | S | * | * | trans | -66.5 | 82.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q156 | Q156-G158 PolarHBondContact O-N 3.48Å; Q156-G158 VanDerWaalsContact O-N 3.17Å | ||
| 159 | G | 40.8 | Very low | 54.9 | Low | 57 Ų | 57 | 126.1 Ų | 126.1 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | trans | -62.8 | 152.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S157 Q161 | S157-G159 VanDerWaalsContact C-N 3.28Å; S157-G159 PolarHBondContact O-N 2.93Å; G159-Q161 PolarHBondContact O-N 3.49Å | ||
| 160 | P | 40.8 | Very low | 52 | Low | 123 Ų | 123 | 131.6 Ų | 131.6 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | trans | -58.8 | 136.9 | -179 | 24.3 | -33.7 | 0 | 0 | 0 | 111.2 | L162 | P160-L162 VanDerWaalsContact C-N 3.34Å; P160-L162 PolarHBondContact O-N 3.08Å | ||
| 161 | Q | 39.4 | Very low | 48.9 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | -69.1 | 80.9 | -175.4 | -174.2 | -162.2 | -0.1 | 0 | 0 | 111.9 | G159 Q163 | G159-Q161 PolarHBondContact O-N 3.49Å; Q161-Q163 HydrophobicContact CG-CG 4.13Å; Q161-Q163 PolarHBondContact O-N 3.36Å; Q161-Q163 VanDerWaalsContact O-N 3.17Å | ||
| 162 | L | 46.7 | Very low | 46.1 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | -71 | 107.1 | 162.9 | -73.4 | -179.7 | 0 | 0 | 0 | 109.1 | P160 H164 | P160-L162 VanDerWaalsContact C-N 3.34Å; P160-L162 PolarHBondContact O-N 3.08Å; L162-H164 PolarHBondContact O-N 3.39Å | ||
| 163 | Q | 45.5 | Very low | 43.3 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | -74.4 | 77.6 | -172.3 | -61.2 | -177.4 | 16 | 0 | 0 | 112.9 | Q161 R165 | Q161-Q163 HydrophobicContact CG-CG 4.13Å; Q161-Q163 PolarHBondContact O-N 3.36Å; Q161-Q163 VanDerWaalsContact O-N 3.17Å; Q163-R165 PolarHBondContact O-N 2.89Å | ||
| 164 | H | 32.1 | Very low | 40.9 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -97.8 | 70.3 | 163.8 | -82.2 | -72.9 | 0 | 0 | 0 | 112 | L162 H166 | L162-H164 PolarHBondContact O-N 3.39Å; H164-H166 PolarHBondContact O-N 3.22Å | ||
| 165 | R | 40.8 | Very low | 38.9 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | trans | -64.4 | 113.3 | 160.9 | -175.7 | 175.2 | 82.1 | 100.2 | -9.7 | 108.1 | Q163 L167 | Q163-R165 PolarHBondContact O-N 2.89Å; R165-L167 PolarHBondContact O-N 2.96Å | ||
| 166 | H | 34.8 | Very low | 37.6 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -60.2 | 109.6 | 173 | -82.4 | -89.2 | 0 | 0 | 0 | 110.5 | H164 | H164-H166 PolarHBondContact O-N 3.22Š| ||
| 167 | L | 39 | Very low | 36.9 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | trans | -99.6 | 143.7 | 152.6 | -80.4 | 174.8 | 0 | 0 | 0 | 108.1 | R165 | R165-L167 PolarHBondContact O-N 2.96Š| ||
| 168 | I | 39.3 | Very low | 36.4 | Very low | 168 Ų | 168 | 136 Ų | 136 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | trans | -93.1 | 146 | 176.2 | -63.9 | 169.3 | 0 | 0 | 0 | 108.8 | ||||
| 169 | S | 29.9 | Very low | 36 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 100.7 | 129.2 | 165.2 | -158.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 170 | R | 33.1 | Very low | 36.3 | Very low | 248 Ų | 248 | 143.2 Ų | 143.2 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | trans | 61.3 | 141.8 | 178.2 | -66.3 | 176.8 | 164.2 | 169.1 | -6.2 | 116 | ||||
| 171 | G | 30.8 | Very low | 35.9 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | 161.4 | 87 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 172 | N | 33.8 | Very low | 35.6 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 23.1 | 104.1 | 162.3 | -169.9 | 90.8 | 0 | 0 | 0 | 119.1 | ||||
| 173 | T | 34.2 | Very low | 35.1 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -144.9 | 144.9 | 140.4 | 38.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 174 | E | 33.1 | Very low | 35 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -80.9 | 159.5 | -177.7 | -161.2 | 172.3 | 112.7 | 0 | 0 | 112.1 | ||||
| 175 | A | 30.3 | Very low | 35.9 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -129.5 | 92.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 176 | A | 33.4 | Very low | 35.5 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -111.3 | 125.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 177 | A | 33.3 | Very low | 35.4 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 93% | 0.934 | 81% | 0.807 | S | S | * | * | trans | -89.2 | 122.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 178 | G | 31.9 | Very low | 35.9 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -169.4 | 115.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 179 | Q | 33.7 | Very low | 35.6 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -114.1 | 170.4 | 168.8 | -104.2 | -166.9 | -22.6 | 0 | 0 | 108.7 | ||||
| 180 | P | 46.3 | Very low | 35.6 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | cis | -137.4 | 150.9 | -25.2 | 34.4 | -17.9 | 0 | 0 | 0 | 114.1 | ||||
| 181 | T | 32.6 | Very low | 35.8 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -152 | 103.9 | 160.9 | 4.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 182 | V | 33.3 | Very low | 36.9 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 31.5 | 133.9 | 130.8 | -176.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 183 | Q | 35.9 | Very low | 36.8 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | 85.1 | 121.9 | 158.6 | -86.3 | 171 | 50.1 | 0 | 0 | 121.3 | ||||
| 184 | P | 42.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -107.6 | -161.2 | 156 | 45.2 | -35.3 | 0 | 0 | 0 | 109.6 | ||||
| 185 | P | 51.8 | Low | 38.1 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -127.4 | 174.2 | -18.9 | 38.4 | -23.9 | 0 | 0 | 0 | 113.5 | ||||
| 186 | R | 32 | Very low | 38.3 | Very low | 242 Ų | 242 | 132 Ų | 132 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | -179.8 | 160.5 | 123.8 | -97.5 | 159.1 | -173.9 | 168.5 | 3.2 | 113.9 | |||||
| 187 | V | 32.9 | Very low | 38.5 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -128.7 | 178.2 | -177.7 | -121.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 188 | P | 50.7 | Low | 38.7 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 59% | 0.591 | 75% | 0.747 | S | S | * | * | cis | -139.2 | -157.5 | -7 | 35 | -11.1 | 0 | 0 | 0 | 114.4 | ||||
| 189 | H | 31.6 | Very low | 39.8 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | 79.5 | 151.2 | 148.4 | -74.9 | 3 | 0 | 0 | 0 | 119.8 | ||||
| 190 | I | 31.1 | Very low | 39.7 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 62% | 0.621 | 74% | 0.736 | S | S | * | * | cis | -156.8 | 131 | -20.4 | -121.7 | 169.6 | 0 | 0 | 0 | 112.7 | ||||
| 191 | H | 35.6 | Very low | 39.1 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | 47.9 | -161 | 143.9 | -59.7 | -140.4 | 0 | 0 | 0 | 120.2 | ||||
| 192 | P | 55.8 | Low | 40.1 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | -140.3 | -146 | -108.4 | 46.8 | -24.5 | 0 | 0 | 0 | 115.9 | |||||
| 193 | L | 30.1 | Very low | 40.2 | Very low | 155 Ų | 155 | 139 Ų | 139 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | 90.2 | 130.4 | 175.8 | -52.9 | 169.9 | 0 | 0 | 0 | 114.2 | ||||
| 194 | S | 36.8 | Very low | 39.9 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | cis | 102.1 | 164.5 | 29.2 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 195 | P | 59.3 | Low | 39.6 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | -129.7 | -143.3 | -105.9 | 36.2 | -12.7 | 0 | 0 | 0 | 114.1 | |||||
| 196 | H | 33.4 | Very low | 39.5 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | trans | 86.6 | 151.2 | 174.3 | -48.7 | -61.2 | 0 | 0 | 0 | 116.5 | ||||
| 197 | H | 36.8 | Very low | 39.7 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 64% | 0.644 | 71% | 0.71 | S | S | * | * | cis | -164.2 | 135.8 | -21.8 | -114.6 | -49.5 | 0 | 0 | 0 | 112.7 | ||||
| 198 | H | 37.8 | Very low | 40.3 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | trans | 57.1 | -179.4 | 136.4 | -87.2 | 23.5 | 0 | 0 | 0 | 120.1 | ||||
| 199 | P | 54.5 | Low | 39.5 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | -134.9 | 176.3 | -55.1 | 39.3 | -24.2 | 0 | 0 | 0 | 113.4 | |||||
| 200 | Q | 31.6 | Very low | 40.2 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | 169.8 | 159.1 | 126 | -89.3 | -60.9 | -2.7 | 0 | 0 | 111.7 | |||||
| 201 | Q | 34.4 | Very low | 40.3 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | -147.6 | -157.4 | -180 | -128.7 | -159 | -23.1 | 0 | 0 | 107.3 | ||||
| 202 | P | 53.5 | Low | 41.4 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 52% | 0.519 | 73% | 0.726 | S | S | . | * | cis | -133.4 | -165.2 | -11.4 | 16.9 | 11.9 | 0 | 0 | 0 | 114.4 | ||||
| 203 | H | 35.8 | Very low | 40.1 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | 81.3 | 142.5 | 159.3 | -59.5 | -59.4 | 0 | 0 | 0 | 118.8 | ||||
| 204 | N | 30.2 | Very low | 40.3 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | cis | -157.8 | 139.3 | 2.9 | -119 | -3.1 | 0 | 0 | 0 | 116 | ||||
| 205 | H | 36.3 | Very low | 40.1 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 75% | 0.75 | 74% | 0.742 | S | S | * | * | trans | 56.8 | 168.9 | 148.9 | -57.1 | -46.9 | 0 | 0 | 0 | 121.9 | ||||
| 206 | P | 48.4 | Very low | 38.9 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | -134.4 | 179.7 | -57.5 | 40.8 | -25.6 | 0 | 0 | 0 | 114.4 | |||||
| 207 | S | 36.9 | Very low | 38.8 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -110 | 165.8 | 166.4 | -45.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 208 | P | 45.8 | Very low | 38.8 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | -156.6 | -170.7 | 87.4 | 40.5 | -19 | 0 | 0 | 0 | 116.6 | |||||
| 209 | H | 34.5 | Very low | 38.5 | Very low | 184 Ų | 184 | 128 Ų | 128 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -85.9 | -161.6 | 158.8 | -47.1 | -101.6 | 0 | 0 | 0 | 110 | ||||
| 210 | P | 45.5 | Very low | 37.5 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -144.7 | -171.3 | -11.2 | 42.9 | -22.6 | 0 | 0 | 0 | 116.7 | ||||
| 211 | V | 33 | Very low | 37.4 | Very low | 135 Ų | 135 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 61.2 | 179 | 153.1 | -47.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 212 | P | 58.5 | Low | 37.5 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -115 | -173.7 | -162.8 | 44.2 | -36 | 0 | 0 | 0 | 114.6 | ||||
| 213 | S | 29.7 | Very low | 37.2 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -173.7 | 168.6 | 143.1 | -108.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 214 | S | 34.3 | Very low | 37.1 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -98.3 | 158.2 | 174.9 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 215 | S | 31.1 | Very low | 37.5 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -153.9 | 150.5 | 156.7 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 216 | S | 34.4 | Very low | 37.8 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -112.7 | 152.1 | -176.8 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 217 | S | 31.9 | Very low | 37.2 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -138.6 | 144.4 | 164 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 218 | S | 36 | Very low | 37.4 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -140.5 | 129.8 | -167.7 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 219 | S | 32.9 | Very low | 36.7 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -161 | 115.1 | 162.9 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 220 | S | 33.9 | Very low | 36.7 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | 28.9 | 134 | 128.4 | -44.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 221 | G | 29.1 | Very low | 36.1 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 148.3 | 114.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 222 | S | 35.3 | Very low | 36.1 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -102.2 | 159 | 159.6 | -47.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 223 | P | 48 | Very low | 34.8 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -158.1 | 149.3 | 85.4 | 40.9 | -20.4 | 0 | 0 | 0 | 119.1 | |||||
| 224 | T | 32.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | 45 | 108.2 | 123.8 | -51.9 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 225 | F | 38.4 | Very low | 35.5 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 77% | 0.772 | 79% | 0.793 | S | S | * | * | trans | 65.6 | 166.6 | 137.2 | -82 | -93.2 | 0 | 0 | 0 | 119.4 | L227 | F225-L227 HydrophobicContact CD1-CD1 3.78Å; F225-L227 HydrophobicContact CE1-CD1 3.66Å | ||
| 226 | P | 43.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | cis | -136.2 | -177.2 | 33.5 | 43.8 | -24.5 | 0 | 0 | 0 | 119.2 | ||||
| 227 | L | 36.1 | Very low | 36.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | -93.3 | 167.1 | 168.8 | -81.5 | 72.8 | 0 | 0 | 0 | 111.7 | F225 | F225-L227 HydrophobicContact CD1-CD1 3.78Å; F225-L227 HydrophobicContact CE1-CD1 3.66Å | ||
| 228 | P | 42.1 | Very low | 37 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | trans | -122.1 | -177.9 | 131.8 | 37.1 | -31.3 | 0 | 0 | 0 | 113.1 | ||||
| 229 | N | 31.2 | Very low | 36.9 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -141.9 | 149.5 | -150.6 | -165.7 | 34.3 | 0 | 0 | 0 | 115.2 | ||||
| 230 | T | 33.3 | Very low | 36.9 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 63% | 0.632 | 76% | 0.761 | S | S | * | * | trans | 50.9 | 139.8 | 156.5 | 42.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 231 | H | 33.5 | Very low | 36.7 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | -173.3 | 115.4 | 116.9 | -113.1 | -101.2 | 0 | 0 | 0 | 116 | |||||
| 232 | H | 32.7 | Very low | 36.9 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | 63.3 | 161.9 | 140.2 | -72.5 | -105.7 | 0 | 0 | 0 | 126 | ||||
| 233 | Q | 30.9 | Very low | 37.4 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -90.7 | -179.4 | -171.6 | -81.9 | -104.4 | 0.8 | 0 | 0 | 113.3 | ||||
| 234 | P | 43.7 | Very low | 36.7 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | cis | -144.9 | -176.2 | 22 | 44.1 | -22.7 | 0 | 0 | 0 | 120.4 | ||||
| 235 | L | 35.7 | Very low | 37.2 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -78 | -178.1 | 163 | -73.9 | 166.1 | 0 | 0 | 0 | 112.1 | ||||
| 236 | P | 46.8 | Very low | 37.3 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | cis | -139.9 | -142.8 | 15 | 47.1 | -25.9 | 0 | 0 | 0 | 112.7 | ||||
| 237 | P | 48.6 | Very low | 36.9 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -130.2 | 175.1 | -25 | 40 | -23.6 | 0 | 0 | 0 | 115.9 | ||||
| 238 | M | 32.6 | Very low | 36.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 61% | 0.611 | 77% | 0.767 | S | S | * | * | trans | 37 | 137 | 148.3 | -63.1 | -63.6 | -79.5 | 0 | 0 | 121.6 | ||||
| 239 | Y | 34 | Very low | 36.5 | Very low | 221 Ų | 221 | 137.8 Ų | 137.8 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | -160.1 | 170.5 | 67.5 | -95.8 | -80.6 | 0 | 0 | 0 | 114.8 | |||||
| 240 | H | 32.6 | Very low | 37.2 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 68% | 0.676 | 77% | 0.766 | S | S | * | * | trans | -81.6 | 149.4 | 178.8 | -73.3 | -149.9 | 0 | 0 | 0 | 114.3 | ||||
| 241 | Q | 30.4 | Very low | 37.7 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | -174.8 | 151.5 | 110.6 | -99.5 | 154 | 105.2 | 0 | 0 | 114.2 | |||||
| 242 | S | 34.4 | Very low | 38 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -108.3 | 168.4 | 165.4 | -47.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 243 | P | 44.1 | Very low | 39.1 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | -154.5 | 160.1 | 89 | 40.9 | -22.7 | 0 | 0 | 0 | 118.2 | |||||
| 244 | S | 34.1 | Very low | 40 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 44.3 | 133.1 | 143.7 | 62.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 245 | S | 42.5 | Very low | 40.5 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -67 | 175.9 | 160 | -39.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 246 | P | 40.8 | Very low | 40.4 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | -131.1 | 165.6 | 114.6 | 37.9 | -32.2 | 0 | 0 | 0 | 114.9 | |||||
| 247 | H | 34.3 | Very low | 40 | Very low | 184 Ų | 184 | 132 Ų | 132 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -81.3 | 164.4 | 174.4 | -77.1 | -123 | 0 | 0 | 0 | 112.4 | ||||
| 248 | C | 30.8 | Very low | 39.7 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -143.2 | 153.5 | 157.1 | -152.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 249 | S | 39.2 | Very low | 39.7 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -160.3 | 160.9 | -177.6 | -77.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 250 | P | 45.9 | Very low | 40.7 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -87.8 | 155.9 | -155 | 33.6 | -37.2 | 0 | 0 | 0 | 115.9 | ||||
| 251 | P | 45 | Very low | 40.7 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -109.2 | 153.6 | 178.8 | 39.5 | -33.5 | 0 | 0 | 0 | 115.7 | ||||
| 252 | T | 38 | Very low | 40.7 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -175.4 | 159.5 | 161.4 | -1.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 253 | P | 57.7 | Low | 41 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | cis | -102.3 | -90.3 | -12.4 | 18.5 | 4.6 | 0 | 0 | 0 | 113.2 | ||||
| 254 | P | 47.9 | Very low | 41.2 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -107.6 | -94.3 | -3 | 18.4 | 6 | 0 | 0 | 0 | 118.4 | ||||
| 255 | P | 54.4 | Low | 41.2 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | trans | -130.4 | 169.7 | -135.6 | 37.4 | -17.3 | 0 | 0 | 0 | 120.5 | ||||
| 256 | H | 33.7 | Very low | 40.6 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | 122.1 | 134.4 | 152.2 | -67.8 | -72.5 | 0 | 0 | 0 | 117.7 | ||||
| 257 | S | 38.2 | Very low | 40.6 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -122.7 | 162.4 | 166.9 | -48.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 258 | P | 42.7 | Very low | 40.6 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | -142.5 | -167.5 | 108.1 | 38.3 | -23.8 | 0 | 0 | 0 | 114.5 | |||||
| 259 | R | 34 | Very low | 40.7 | Very low | 233 Ų | 233 | 135.3 Ų | 135.3 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -119.9 | -158.6 | -168.8 | -159.7 | -161 | 163.8 | -153.8 | -2.7 | 110 | ||||
| 260 | P | 54.6 | Low | 40.6 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 58% | 0.584 | 79% | 0.788 | S | S | * | * | -105.4 | 166.9 | -107.2 | 38.9 | -25.7 | 0 | 0 | 0 | 117.6 | |||||
| 261 | S | 31.6 | Very low | 40.5 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -148.9 | 126.6 | 150.5 | 46.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 262 | H | 31.2 | Very low | 40 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | 88.1 | 144.8 | 66.2 | -80.9 | -73.3 | 0 | 0 | 0 | 114.2 | |||||
| 263 | I | 40.7 | Very low | 39.9 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | -98.6 | 163 | -160 | -16.2 | 177.7 | 0 | 0 | 0 | 111.8 | ||||
| 264 | P | 47 | Very low | 38.8 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | -139.1 | 173.4 | 94.3 | 38 | -24.4 | 0 | 0 | 0 | 113.6 | |||||
| 265 | G | 35.1 | Very low | 38.3 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | -130.4 | 174.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 266 | G | 30.8 | Very low | 37.4 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -159.4 | 127.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 267 | L | 39.9 | Very low | 37.6 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | 72.6 | 122.5 | 73 | -76.6 | 174.5 | 0 | 0 | 0 | 113.5 | |||||
| 268 | F | 34.5 | Very low | 37.9 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 66.8 | 154.6 | 173.3 | -55.8 | -66.8 | 0 | 0 | 0 | 116.4 | ||||
| 269 | R | 33.2 | Very low | 38.3 | Very low | 223 Ų | 223 | 142 Ų | 142 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | cis | -169.5 | 118.2 | -24.6 | 173.5 | -177.4 | -170 | -166.8 | 4.6 | 107.4 | P271 | R269-P271 WeakPolarHBondContact O-CD 3.49Š| ||
| 270 | S | 36.5 | Very low | 38.5 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 130.3 | 177 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 271 | P | 43.2 | Very low | 37.6 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 134 | 167.5 | -5.5 | 25.8 | 0 | 0 | 0 | 112.3 | R269 | R269-P271 WeakPolarHBondContact O-CD 3.49Š|
| 272 | S | 35.2 | Very low | 37.9 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 156.8 | 161.4 | -52 | 0 | 0 | 0 | 0 | 110.6 | ||
| 273 | H | 36.8 | Very low | 38 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 73% | 0.731 | 75% | 0.754 | S | S | * | * | 171.8 | 166.5 | 81.7 | -80.1 | -81.4 | 0 | 0 | 0 | 107.2 | |||||
| 274 | H | 34.4 | Very low | 37.7 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | cis | -153.4 | 156.4 | -4.1 | -130.7 | -54.9 | 0 | 0 | 0 | 110.5 | ||||
| 275 | H | 36.1 | Very low | 37 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | -128 | 156 | 140.3 | -104.2 | 28.8 | 0 | 0 | 0 | 108.7 | ||||
| 276 | H | 35.8 | Very low | 36.9 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | trans | -109.7 | 150.5 | -169.1 | -133.4 | 67.8 | 0 | 0 | 0 | 112 | ||||
| 277 | H | 38.6 | Very low | 38 | Very low | 157 Ų | 157 | 154.3 Ų | 154.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -78.2 | 179.3 | 175 | -72.7 | -87.9 | 0 | 0 | 0 | 110.1 | ||||
| 278 | H | 43.8 | Very low | 37.4 | Very low | 171 Ų | 171 | 153 Ų | 153 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | cis | -161.2 | -165.4 | 39.7 | -133.1 | -23.3 | 0 | 0 | 0 | 113.4 | ||||
| 279 | P | 52.2 | Low | 37.4 | Very low | 77 Ų | 77 | 149.5 Ų | 149.5 | 50% | 0.5 | 75% | 0.754 | S | S | . | * | -123.9 | -169.9 | -128.1 | 45.8 | -29 | 0 | 0 | 0 | 115.3 | |||||
| 280 | H | 37.8 | Very low | 37.3 | Very low | 186 Ų | 186 | 144.7 Ų | 144.7 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | -162.9 | 177.4 | 120.1 | -107.5 | -75.6 | 0 | 0 | 0 | 111.5 | |||||
| 281 | H | 35.7 | Very low | 37.2 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | trans | -124.3 | 155.1 | -152.8 | -101.6 | -104.7 | 0 | 0 | 0 | 116.7 | ||||
| 282 | H | 37 | Very low | 37.3 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | trans | 49.9 | 125.8 | 149.1 | -64.8 | -43 | 0 | 0 | 0 | 122.2 | ||||
| 283 | H | 33.4 | Very low | 37 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | -153.1 | 158.6 | 96 | -109.6 | 70.4 | 0 | 0 | 0 | 113.2 | |||||
| 284 | Y | 34.6 | Very low | 37 | Very low | 200 Ų | 200 | 149.6 Ų | 149.6 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | -110.9 | 147 | 172.7 | -94.1 | -100.8 | 0 | 0 | 0 | 109.4 | ||||
| 285 | H | 32.3 | Very low | 36.8 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | -173.2 | 146.5 | 122.7 | -111.4 | -72.5 | 0 | 0 | 0 | 115.1 | |||||
| 286 | Q | 33.5 | Very low | 36.6 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -151.1 | -178.3 | 158.5 | -129.9 | -161.7 | -7.8 | 0 | 0 | 105.1 | ||||
| 287 | P | 52.8 | Low | 36.2 | Very low | 98 Ų | 98 | 144 Ų | 144 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -121.3 | -175 | -30.2 | 40.8 | -27.8 | 0 | 0 | 0 | 111.2 | ||||
| 288 | S | 29.3 | Very low | 35.9 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 171.9 | 172.9 | 131 | -79.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 289 | S | 34.5 | Very low | 35.2 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -103.2 | 161 | -168.2 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 290 | S | 30.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -169.6 | 144.2 | 132.6 | 22.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 291 | Q | 34.4 | Very low | 34.9 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -103.3 | 158 | 157.1 | -123.9 | 177.6 | -18.5 | 0 | 0 | 106.1 | ||||
| 292 | P | 43.9 | Very low | 34.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | -149.7 | -173.5 | 73.6 | 40 | -19.7 | 0 | 0 | 0 | 115.9 | |||||
| 293 | S | 30.5 | Very low | 34.4 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 165.9 | -179.1 | -36.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 294 | H | 35.1 | Very low | 34.9 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | -157.7 | -177.7 | 124.3 | -106.9 | -67.3 | 0 | 0 | 0 | 111.3 | |||||
| 295 | D | 30.5 | Very low | 34.8 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -125.6 | -177 | -154.4 | 179.9 | -135.4 | 0 | 0 | 0 | 113 | ||||
| 296 | I | 31.5 | Very low | 34.5 | Very low | 154 Ų | 154 | 131 Ų | 131 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 95.9 | 121.7 | 160.1 | -54.7 | 168.7 | 0 | 0 | 0 | 117.5 | ||||
| 297 | G | 28.4 | Very low | 34.4 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | 114.6 | 79.3 | 120.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 298 | Q | 32 | Very low | 34.2 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | 31.8 | 167 | 134.9 | -64.2 | -164.4 | 1.2 | 0 | 0 | 125.2 | ||||
| 299 | V | 29.2 | Very low | 34.2 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | 81.7 | 137.1 | 158.5 | -132.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 300 | S | 32.5 | Very low | 34 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -92.9 | -175.6 | 166.7 | -131.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 301 | P | 50.7 | Low | 33.9 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -151.9 | -162.6 | 35 | 44.1 | -21.1 | 0 | 0 | 0 | 117.3 | ||||
| 302 | V | 29.7 | Very low | 33.4 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 83.7 | 146.3 | 153.9 | 164.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 303 | A | 32.3 | Very low | 32.8 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -119.7 | 175.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 304 | P | 44.9 | Very low | 32.6 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | -134.7 | 144 | 99.8 | 33.6 | -20.7 | 0 | 0 | 0 | 112.2 | |||||
| 305 | V | 32.3 | Very low | 32.5 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 64.8 | 101.6 | 64.5 | -178.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 306 | L | 26.4 | Very low | 32.5 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -173.4 | 130.8 | 136.1 | -104.9 | 161.5 | 0 | 0 | 0 | 112.1 | ||||
| 307 | C | 31.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -141.1 | 155.5 | 166.4 | -64.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 308 | P | 48.3 | Very low | 33.2 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | -131.4 | 140.6 | 100.7 | 6.9 | 15.8 | 0 | 0 | 0 | 112 | |||||
| 309 | E | 29.5 | Very low | 33.2 | Very low | 176 Ų | 176 | 124.9 Ų | 124.9 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | 67.7 | 119.8 | 80.8 | -74.4 | -152.7 | 88.9 | 0 | 0 | 117.1 | |||||
| 310 | A | 29 | Very low | 33.1 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -152.8 | 115.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 311 | N | 29.8 | Very low | 33.5 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 65% | 0.647 | 81% | 0.805 | S | S | * | * | trans | -126.5 | 137.5 | 179.9 | 175.9 | 13.1 | 0 | 0 | 0 | 109.7 | S313 | N311-S313 PolarHBondContact OD1-OG 3.39Š| ||
| 312 | C | 24.3 | Very low | 32.5 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | trans | -124.7 | 102.5 | 169.8 | -72.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 313 | S | 29.8 | Very low | 33.1 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -122.2 | 132.6 | 176 | -66.7 | 0 | 0 | 0 | 0 | 110.1 | N311 | N311-S313 PolarHBondContact OD1-OG 3.39Š| ||
| 314 | T | 26.3 | Very low | 33.1 | Very low | 151 Ų | 151 | 124 Ų | 124 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | -127.6 | 130.8 | 168.4 | 36.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 315 | N | 34.6 | Very low | 32.8 | Very low | 162 Ų | 162 | 123 Ų | 123 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -124.2 | 147.8 | -172.3 | -127.7 | -6.3 | 0 | 0 | 0 | 109.6 | ||||
| 316 | S | 29.1 | Very low | 33.2 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -155 | 138.9 | 164.9 | -77 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 317 | P | 46.8 | Very low | 34.1 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -101.5 | 158.4 | -164.6 | 38.4 | -35.8 | 0 | 0 | 0 | 114.4 | ||||
| 318 | G | 27.9 | Very low | 35 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 164.3 | 105.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 319 | S | 32.4 | Very low | 35.2 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | 37.3 | 112.3 | 148.5 | -179.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 320 | G | 26.8 | Very low | 36.6 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 169.5 | 95.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S322 | G320-S322 PolarHBondContact O-N 3.01Š| ||
| 321 | S | 40.7 | Very low | 38.8 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -72.3 | 113.6 | 178.6 | 57 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 322 | S | 30.6 | Very low | 41.5 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -121.5 | 143.4 | 165.1 | -74.8 | 0 | 0 | 0 | 0 | 110.1 | G320 | G320-S322 PolarHBondContact O-N 3.01Š| ||
| 323 | P | 41.9 | Very low | 44.6 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -67.5 | 136.8 | -171 | 27.2 | -34.8 | 0 | 0 | 0 | 111.8 | A325 | P323-A325 PolarHBondContact O-N 3.38Š| ||
| 324 | S | 32.3 | Very low | 47.4 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -50.6 | 131.4 | -171.4 | -46.4 | 0 | 0 | 0 | 0 | 113.2 | R326 | S324-R326 PolarHBondContact O-N 3.15Š| ||
| 325 | A | 39.5 | Very low | 50.4 | Low | 100 Ų | 100 | 113.2 Ų | 113.2 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | trans | -65.4 | 82.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P323 S327 | P323-A325 PolarHBondContact O-N 3.38Å; A325-S327 PolarHBondContact O-N 3.25Å | ||
| 326 | R | 40 | Very low | 52.9 | Low | 220 Ų | 220 | 107.7 Ų | 107.7 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | trans | -49.4 | 125.9 | 167 | -63.4 | -177.5 | -176.2 | -179.8 | 1 | 107.5 | S324 R328 | S324-R326 PolarHBondContact O-N 3.15Å; R326-R328 VanDerWaalsContact O-CG 3.25Å; R326-R328 WeakPolarHBondContact O-CG 3.17Å; R326-R328 PolarHBondContact O-N 3Å | ||
| 327 | S | 44.9 | Very low | 55.7 | Low | 130 Ų | 130 | 104.2 Ų | 104.2 | 91% | 0.909 | 64% | 0.639 | S | S | * | * | trans | -42.3 | 102.5 | -177.9 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | A325 | A325-S327 PolarHBondContact O-N 3.25Š| ||
| 328 | R | 50.4 | Low | 57.7 | Low | 188 Ų | 188 | 101 Ų | 101 | 71% | 0.709 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 135.8 | 176.5 | -60.5 | -164.3 | -175.4 | -175.3 | 3.1 | 107.2 | R326 | R326-R328 VanDerWaalsContact O-CG 3.25Å; R326-R328 WeakPolarHBondContact O-CG 3.17Å; R326-R328 PolarHBondContact O-N 3Å |
| 329 | K | 53.8 | Low | 60.6 | Low | 187 Ų | 187 | 101.6 Ų | 101.6 | 81% | 0.813 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -60 | 145.1 | 175.8 | -68.5 | 169.3 | 177.8 | 177.2 | 0 | 109.4 | ||
| 330 | P | 58.7 | Low | 63.2 | Low | 123 Ų | 123 | 101.1 Ų | 101.1 | 80% | 0.799 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -53.7 | 140.9 | 171.1 | -24.1 | 34 | 0 | 0 | 0 | 111.1 | ||
| 331 | G | 73.5 | Confident | 66 | Low | 16 Ų | 16 | 99.7 Ų | 99.7 | 17% | 0.165 | 57% | 0.567 | C | S | . | * | S | Bend | trans | 144.5 | -176.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 332 | A | 86.6 | Confident | 67.9 | Low | 22 Ų | 22 | 100 Ų | 100 | 18% | 0.182 | 57% | 0.565 | C | S | . | * | trans | -72 | 147.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D377 L378 A381 | A332-D377 HydrophobicContact CB-CB 3.91Å; A332-L378 HydrophobicContact CB-CD2 4.4Å; A332-A381 HydrophobicContact CB-CB 4.41Å; A332-A381 VanDerWaalsContact O-CB 3.31Å; A332-A381 WeakPolarHBondContact O-CB 3.41Å | ||
| 333 | I | 89.1 | Confident | 70.3 | Confident | 85 Ų | 85 | 97.5 Ų | 97.5 | 44% | 0.436 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.7 | 172.9 | -58.8 | 176.8 | 0 | 0 | 0 | 107.6 | F349 S350 | I333-F349 VanDerWaalsContact O-CA 3.26Å; I333-F349 WeakPolarHBondContact O-CA 3.33Å; I333-S350 PolarHBondContact N-O 3.1Å; I333-S350 PolarHBondContact O-N 3.3Å |
| 334 | I | 89.3 | Confident | 72.5 | Confident | 19 Ų | 19 | 95.2 Ų | 95.2 | 10% | 0.097 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 122.1 | 172.1 | -41.7 | -164.4 | 0 | 0 | 0 | 108.5 | S336 F337 F349 A381 T382 Y385 M388 | I334-S336 WeakPolarHBondContact CG2-O 3.46Å; I334-F337 HydrophobicContact CG2-CB 4.04Å; I334-F349 HydrophobicContact CB-CD1 4.17Å; I334-F349 HydrophobicContact CB-CE1 4.24Å; I334-F349 HydrophobicContact CD1-CD1 4.33Å; I334-F349 HydrophobicContact CD1-CE1 3.69Å; I334-F349 HydrophobicContact CG1-CD1 3.74Å; I334-F349 HydrophobicContact CG1-CE1 3.62Å; I334-F349 HydrophobicContact CG2-CD1 4.18Å; I334-F349 HydrophobicContact CG2-CE1 3.98Å; I334-F349 HydrophobicContact CG2-CZ 4.45Å; I334-A381 HydrophobicContact CD1-CB 4.38Å; I334-A381 HydrophobicContact CG1-CB 3.85Å; I334-T382 HydrophobicContact CD1-CG2 4.09Å; I334-Y385 HydrophobicContact CB-CD2 4.02Å; I334-Y385 HydrophobicContact CB-CE2 4.37Å; I334-Y385 HydrophobicContact CD1-CD2 4.13Å; I334-Y385 HydrophobicContact CD1-CG 4.05Å; I334-Y385 HydrophobicContact CG1-CD2 4.36Å; I334-Y385 HydrophobicContact CG2-CD2 4.43Å; I334-Y385 HydrophobicContact CG2-CE2 4.45Å; I334-M388 HydrophobicContact CD1-CE 3.37Å |
| 335 | E | 88.7 | Confident | 75.2 | Confident | 118 Ų | 118 | 92.5 Ų | 92.5 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -42.3 | 175.5 | -49.8 | 168.1 | 145.3 | 0 | 0 | 110.6 | T348 S350 | E335-T348 PolarHBondContact N-O 3.02Å; E335-T348 VanDerWaalsContact OE2-CB 3.28Å; E335-T348 WeakPolarHBondContact OE2-CB 3.42Å; E335-T348 PolarHBondContact OE2-OG1 3.05Å; E335-S350 VanDerWaalsContact CD-OG 3.26Å; E335-S350 WeakPolarHBondContact OE1-CB 3.41Å; E335-S350 PolarHBondContact OE1-OG 3.28Å |
| 336 | S | 87.8 | Confident | 77.7 | Confident | 46 Ų | 46 | 90.3 Ų | 90.3 | 32% | 0.322 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 144.3 | 178.6 | 69.1 | 0 | 0 | 0 | 0 | 110.7 | I334 G347 T348 | I334-S336 WeakPolarHBondContact CG2-O 3.46Å; S336-G347 CarbonylContact O-C 3.53Å; S336-G347 WeakPolarHBondContact O-CA 3.41Å; S336-T348 PolarHBondContact N-O 3Å; S336-T348 PolarHBondContact O-N 3.33Å; S336-T348 VanDerWaalsContact O-N 3.08Å; S336-T348 WeakPolarHBondContact OG-CB 3.26Å; S336-T348 PolarHBondContact OG-N 3.1Å; S336-T348 PolarHBondContact OG-OG1 3.1Å |
| 337 | F | 88.6 | Confident | 80.1 | Confident | 40 Ų | 40 | 81.3 Ų | 81.3 | 18% | 0.175 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 125.2 | 174.5 | -170.1 | -95.1 | 0 | 0 | 0 | 110 | I334 F345 M388 P389 L392 | I334-F337 HydrophobicContact CG2-CB 4.04Å; F337-F345 HydrophobicContact CE1-CB 4.4Å; F337-F345 AromaticContact CE1-CD1 3.86Å; F337-F345 HydrophobicContact CE1-CD1 3.86Å; F337-F345 HydrophobicContact CE1-CG 4.36Å; F337-F345 HydrophobicContact CE2-CB 3.95Å; F337-F345 HydrophobicContact CZ-CB 3.57Å; F337-F345 AromaticContact CZ-CD1 3.7Å; F337-F345 HydrophobicContact CZ-CD1 3.7Å; F337-F345 AromaticContact CZ-CG 3.72Å; F337-F345 HydrophobicContact CZ-CG 3.72Å; F337-M388 HydrophobicContact CD1-CE 4.23Å; F337-M388 HydrophobicContact CD1-SD 4.07Å; F337-M388 HydrophobicContact CD2-CE 3.87Å; F337-M388 HydrophobicContact CE1-CE 4.29Å; F337-M388 HydrophobicContact CE1-SD 3.72Å; F337-M388 HydrophobicContact CE2-CE 3.93Å; F337-M388 HydrophobicContact CE2-SD 4.19Å; F337-M388 HydrophobicContact CG-CE 4.02Å; F337-M388 HydrophobicContact CG-SD 4.45Å; F337-M388 HydrophobicContact CZ-CE 4.14Å; F337-M388 HydrophobicContact CZ-SD 3.78Å; F337-P389 HydrophobicContact CE1-CG 4.26Å; F337-L392 HydrophobicContact CE1-CD1 4.4Å; F337-L392 HydrophobicContact CE2-CD1 4.13Å; F337-L392 HydrophobicContact CZ-CD1 3.54Å |
| 338 | V | 88.3 | Confident | 82.3 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 42% | 0.424 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.1 | -174.1 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | F345 S346 | V338-F345 WeakPolarHBondContact O-CA 3.4Å; V338-S346 PolarHBondContact N-O 3.21Å; V338-S346 PolarHBondContact O-N 3.36Å |
| 339 | N | 87.5 | Confident | 84.2 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.4 | 172.8 | 175.9 | 8.9 | 0 | 0 | 0 | 108.4 | A341 F345 | N339-A341 PolarHBondContact OD1-N 3.43Å; N339-A341 PolarHBondContact OD1-O 3.02Å; N339-F345 HydrophobicContact CB-CD1 3.96Å; N339-F345 HydrophobicContact CB-CE1 3.94Å; N339-F345 WeakPolarHBondContact OD1-CE1 3.48Å |
| 340 | H | 87.8 | Confident | 85.9 | Confident | 122 Ų | 122 | 66.4 Ų | 66.4 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -32.6 | -178.5 | -63.4 | -81.3 | 0 | 0 | 0 | 112.6 | V344 S346 | H340-V344 HydrophobicContact CB-CG1 4.2Å; H340-V344 PolarHBondContact N-O 2.89Å; H340-S346 PolarHBondContact NE2-OG 3.42Å |
| 341 | A | 85.6 | Confident | 87.3 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 34% | 0.339 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 161.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | N339 G343 V344 | N339-A341 PolarHBondContact OD1-N 3.43Å; N339-A341 PolarHBondContact OD1-O 3.02Å; A341-G343 PolarHBondContact O-N 3.28Å; A341-V344 HydrophobicContact CB-CB 4.17Å; A341-V344 HydrophobicContact CB-CG2 4.17Å; A341-V344 PolarHBondContact O-N 2.98Å |
| 342 | P | 80.9 | Confident | 88 | Confident | 136 Ų | 136 | 67.4 Ų | 67.4 | 88% | 0.883 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 111.5 | 173.6 | -26.8 | 35.8 | 0 | 0 | 0 | 112.1 | ||
| 343 | G | 81.3 | Confident | 87.9 | Confident | 56 Ų | 56 | 68 Ų | 68 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | -2.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | A341 | A341-G343 PolarHBondContact O-N 3.28Š|
| 344 | V | 88.7 | Confident | 87.7 | Confident | 81 Ų | 81 | 68.4 Ų | 68.4 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 112 | -176.9 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | H340 A341 | H340-V344 HydrophobicContact CB-CG1 4.2Å; H340-V344 PolarHBondContact N-O 2.89Å; A341-V344 HydrophobicContact CB-CB 4.17Å; A341-V344 HydrophobicContact CB-CG2 4.17Å; A341-V344 PolarHBondContact O-N 2.98Å |
| 345 | F | 88.3 | Confident | 87.5 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.8 | -174.3 | -51.4 | -71.5 | 0 | 0 | 0 | 111.4 | F337 V338 N339 P389 S391 L392 | F337-F345 HydrophobicContact CE1-CB 4.4Å; F337-F345 AromaticContact CE1-CD1 3.86Å; F337-F345 HydrophobicContact CE1-CD1 3.86Å; F337-F345 HydrophobicContact CE1-CG 4.36Å; F337-F345 HydrophobicContact CE2-CB 3.95Å; F337-F345 HydrophobicContact CZ-CB 3.57Å; F337-F345 AromaticContact CZ-CD1 3.7Å; F337-F345 HydrophobicContact CZ-CD1 3.7Å; F337-F345 AromaticContact CZ-CG 3.72Å; F337-F345 HydrophobicContact CZ-CG 3.72Å; V338-F345 WeakPolarHBondContact O-CA 3.4Å; N339-F345 HydrophobicContact CB-CD1 3.96Å; N339-F345 HydrophobicContact CB-CE1 3.94Å; N339-F345 WeakPolarHBondContact OD1-CE1 3.48Å; F345-P389 HydrophobicContact CD1-CG 4.2Å; F345-P389 HydrophobicContact CE1-CB 4.43Å; F345-P389 HydrophobicContact CE1-CG 3.55Å; F345-P389 HydrophobicContact CZ-CG 4.07Å; F345-S391 WeakPolarHBondContact CZ-OG 3.38Å; F345-L392 HydrophobicContact CD2-CG 4.45Å; F345-L392 HydrophobicContact CE2-CG 4.4Å |
| 346 | S | 90.6 | Very high | 87.4 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 38% | 0.378 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.2 | 171.6 | 66.2 | 0 | 0 | 0 | 0 | 110.4 | V338 H340 | V338-S346 PolarHBondContact N-O 3.21Å; V338-S346 PolarHBondContact O-N 3.36Å; H340-S346 PolarHBondContact NE2-OG 3.42Å |
| 347 | G | 90.9 | Very high | 87.4 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 32% | 0.32 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 164.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S336 F349 | S336-G347 CarbonylContact O-C 3.53Å; S336-G347 WeakPolarHBondContact O-CA 3.41Å; G347-F349 WeakPolarHBondContact O-CE2 3.12Å |
| 348 | T | 91.3 | Very high | 87.4 | Confident | 67 Ų | 67 | 71.4 Ų | 71.4 | 41% | 0.411 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 142.9 | 170.5 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | E335 S336 | E335-T348 PolarHBondContact N-O 3.02Å; E335-T348 VanDerWaalsContact OE2-CB 3.28Å; E335-T348 WeakPolarHBondContact OE2-CB 3.42Å; E335-T348 PolarHBondContact OE2-OG1 3.05Å; S336-T348 PolarHBondContact N-O 3Å; S336-T348 PolarHBondContact O-N 3.33Å; S336-T348 VanDerWaalsContact O-N 3.08Å; S336-T348 WeakPolarHBondContact OG-CB 3.26Å; S336-T348 PolarHBondContact OG-N 3.1Å; S336-T348 PolarHBondContact OG-OG1 3.1Å |
| 349 | F | 91.3 | Very high | 87.4 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 29% | 0.285 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 134.1 | -171.4 | -55.8 | -105.9 | 0 | 0 | 0 | 108.9 | I333 I334 G347 L378 T382 | I333-F349 VanDerWaalsContact O-CA 3.26Å; I333-F349 WeakPolarHBondContact O-CA 3.33Å; I334-F349 HydrophobicContact CB-CD1 4.17Å; I334-F349 HydrophobicContact CB-CE1 4.24Å; I334-F349 HydrophobicContact CD1-CD1 4.33Å; I334-F349 HydrophobicContact CD1-CE1 3.69Å; I334-F349 HydrophobicContact CG1-CD1 3.74Å; I334-F349 HydrophobicContact CG1-CE1 3.62Å; I334-F349 HydrophobicContact CG2-CD1 4.18Å; I334-F349 HydrophobicContact CG2-CE1 3.98Å; I334-F349 HydrophobicContact CG2-CZ 4.45Å; G347-F349 WeakPolarHBondContact O-CE2 3.12Å; F349-L378 HydrophobicContact CB-CD2 3.38Å; F349-L378 HydrophobicContact CD1-CD2 3.4Å; F349-L378 HydrophobicContact CD2-CD2 3.76Å; F349-L378 HydrophobicContact CE1-CD2 4Å; F349-L378 HydrophobicContact CE2-CD2 4.34Å; F349-L378 HydrophobicContact CG-CD2 3.25Å; F349-L378 HydrophobicContact CZ-CD2 4.45Å; F349-T382 HydrophobicContact CE1-CG2 4.41Å |
| 350 | S | 89.8 | Confident | 87.4 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.6 | -178 | -73.7 | 0 | 0 | 0 | 0 | 110.6 | I333 E335 | I333-S350 PolarHBondContact N-O 3.1Å; I333-S350 PolarHBondContact O-N 3.3Å; E335-S350 VanDerWaalsContact CD-OG 3.26Å; E335-S350 WeakPolarHBondContact OE1-CB 3.41Å; E335-S350 PolarHBondContact OE1-OG 3.28Å |
| 351 | G | 87.9 | Confident | 87.2 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | trans | 179.3 | 174.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 352 | T | 86.9 | Confident | 87 | Confident | 103 Ų | 103 | 73 Ų | 73 | 63% | 0.632 | 47% | 0.465 | S | S | * | . | trans | -105 | 126.9 | 179.6 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 353 | L | 86 | Confident | 87.2 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 19% | 0.188 | 45% | 0.453 | C | S | . | . | trans | -63.2 | 144.2 | 173.5 | -65.9 | 175.1 | 0 | 0 | 0 | 111.7 | C357 Q358 P364 T370 I374 | L353-C357 HydrophobicContact CB-CB 4.34Å; L353-Q358 PolarHBondContact O-NE2 2.9Å; L353-P364 HydrophobicContact CD1-CB 3.73Å; L353-P364 HydrophobicContact CD1-CG 3.81Å; L353-T370 HydrophobicContact CD1-CG2 3.88Å; L353-I374 HydrophobicContact CD2-CD1 4.32Å; L353-I374 HydrophobicContact CD2-CG1 3.67Å | ||
| 354 | H | 83.6 | Confident | 87.5 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 43% | 0.431 | 44% | 0.441 | S | S | . | . | trans | -58.4 | 143.3 | 172.7 | -170.3 | -96 | 0 | 0 | 0 | 111.4 | N356 C357 | H354-N356 VanDerWaalsContact C-N 3.25Å; H354-N356 PolarHBondContact CE1-OD1 3.29Å; H354-N356 PolarHBondContact ND1-N 3.11Å; H354-N356 PolarHBondContact O-N 2.88Å; H354-N356 VanDerWaalsContact O-N 3.11Å; H354-C357 WeakPolarHBondContact O-CA 3.28Å; H354-C357 WeakPolarHBondContact O-CB 3.49Å; H354-C357 PolarHBondContact O-N 2.89Å | ||
| 355 | P | 85.5 | Confident | 87.6 | Confident | 88 Ų | 88 | 74.9 Ų | 74.9 | 57% | 0.571 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -53.3 | -34.8 | -176.6 | -30.8 | 37.2 | 0 | 0 | 0 | 115.2 | C357 Q358 | P355-C357 PolarHBondContact O-N 3.14Å; P355-C357 VanDerWaalsContact O-N 3.14Å; P355-Q358 WeakPolarHBondContact O-CA 3.49Å; P355-Q358 WeakPolarHBondContact O-CB 3.45Å; P355-Q358 PolarHBondContact O-N 2.86Å |
| 356 | N | 86.4 | Confident | 87.7 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 64% | 0.642 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -65.2 | -15.4 | 177.2 | -55.3 | 14.8 | 0 | 0 | 0 | 113.8 | H354 R365 | H354-N356 VanDerWaalsContact C-N 3.25Å; H354-N356 PolarHBondContact CE1-OD1 3.29Å; H354-N356 PolarHBondContact ND1-N 3.11Å; H354-N356 PolarHBondContact O-N 2.88Å; H354-N356 VanDerWaalsContact O-N 3.11Å; N356-R365 PolarHBondContact O-NH1 3.24Å |
| 357 | C | 87.9 | Confident | 87.8 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 8% | 0.081 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -95 | 9.9 | 172.5 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | L353 H354 P355 P364 R365 T370 | L353-C357 HydrophobicContact CB-CB 4.34Å; H354-C357 WeakPolarHBondContact O-CA 3.28Å; H354-C357 WeakPolarHBondContact O-CB 3.49Å; H354-C357 PolarHBondContact O-N 2.89Å; P355-C357 PolarHBondContact O-N 3.14Å; P355-C357 VanDerWaalsContact O-N 3.14Å; C357-P364 WeakPolarHBondContact O-CA 3.28Å; C357-R365 PolarHBondContact O-N 3.2Å; C357-T370 HydrophobicContact CB-CG2 4.22Å |
| 358 | Q | 89.5 | Confident | 87.9 | Confident | 66 Ų | 66 | 80.7 Ų | 80.7 | 31% | 0.308 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -117.4 | 150.5 | 178.5 | -54.5 | -178.4 | 21.8 | 0 | 0 | 111.2 | L353 P355 R363 R365 | L353-Q358 PolarHBondContact O-NE2 2.9Å; P355-Q358 WeakPolarHBondContact O-CA 3.49Å; P355-Q358 WeakPolarHBondContact O-CB 3.45Å; P355-Q358 PolarHBondContact O-N 2.86Å; Q358-R363 CarbonylContact C-O 3.58Å; Q358-R363 WeakPolarHBondContact CA-O 3.48Å; Q358-R365 VanDerWaalsContact C-CG 3.46Å; Q358-R365 WeakPolarHBondContact O-CD 3.35Å |
| 359 | D | 87.3 | Confident | 87.9 | Confident | 63 Ų | 63 | 79.1 Ų | 79.1 | 34% | 0.337 | 44% | 0.442 | S | S | . | . | trans | -82.4 | 178.2 | 172.3 | 67.3 | 14.8 | 0 | 0 | 0 | 111.9 | N361 G362 R363 R365 | D359-N361 PolarHBondContact O-N 3.38Å; D359-N361 VanDerWaalsContact OD1-CA 3.27Å; D359-N361 WeakPolarHBondContact OD1-CA 3.46Å; D359-N361 WeakPolarHBondContact OD1-CB 3.24Å; D359-N361 PolarHBondContact OD1-N 3Å; D359-G362 PolarHBondContact O-N 3.02Å; D359-G362 PolarHBondContact OD1-N 2.83Å; D359-G362 VanDerWaalsContact OD1-N 3.09Å; D359-R363 PolarHBondContact N-O 3.07Å; D359-R363 PolarHBondContact OD1-N 2.96Å; D359-R365 HydrophobicContact CB-CG 4.37Å | ||
| 360 | S | 87.3 | Confident | 87.9 | Confident | 120 Ų | 120 | 76 Ų | 76 | 84% | 0.839 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -9.2 | 174.6 | 45.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 361 | N | 83.8 | Confident | 88.1 | Confident | 124 Ų | 124 | 73.2 Ų | 73.2 | 66% | 0.663 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 11.6 | -176.6 | -57.5 | 83.2 | 0 | 0 | 0 | 111.5 | D359 R363 | D359-N361 PolarHBondContact O-N 3.38Å; D359-N361 VanDerWaalsContact OD1-CA 3.27Å; D359-N361 WeakPolarHBondContact OD1-CA 3.46Å; D359-N361 WeakPolarHBondContact OD1-CB 3.24Å; D359-N361 PolarHBondContact OD1-N 3Å; N361-R363 VanDerWaalsContact C-N 3.28Å; N361-R363 PolarHBondContact O-N 3.37Å |
| 362 | G | 81.9 | Confident | 88.2 | Confident | 48 Ų | 48 | 73.4 Ų | 73.4 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 72.9 | 13.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D359 | D359-G362 PolarHBondContact O-N 3.02Å; D359-G362 PolarHBondContact OD1-N 2.83Å; D359-G362 VanDerWaalsContact OD1-N 3.09Å |
| 363 | R | 84.9 | Confident | 88.4 | Confident | 164 Ų | 164 | 71.2 Ų | 71.2 | 62% | 0.619 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 150.8 | -178.9 | -58.8 | 179.7 | 171.2 | -167.5 | -4 | 110.9 | Q358 D359 N361 R365 | Q358-R363 CarbonylContact C-O 3.58Å; Q358-R363 WeakPolarHBondContact CA-O 3.48Å; D359-R363 PolarHBondContact N-O 3.07Å; D359-R363 PolarHBondContact OD1-N 2.96Å; N361-R363 VanDerWaalsContact C-N 3.28Å; N361-R363 PolarHBondContact O-N 3.37Å; R363-R365 PolarHBondContact O-N 3.4Å |
| 364 | P | 87.2 | Confident | 88.7 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -54.8 | 128.3 | 175.5 | -23.1 | 32.4 | 0 | 0 | 0 | 112 | L353 C357 T370 | L353-P364 HydrophobicContact CD1-CB 3.73Å; L353-P364 HydrophobicContact CD1-CG 3.81Å; C357-P364 WeakPolarHBondContact O-CA 3.28Å; P364-T370 HydrophobicContact CB-CG2 4.25Å |
| 365 | R | 91.4 | Very high | 89 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 133.7 | 172.7 | -72.6 | 175.1 | 60.5 | -97.4 | -18.8 | 108.5 | L129 N356 C357 Q358 D359 R363 D367 T370 | L129-R365 WeakPolarHBondContact CD1-O 3.48Å; N356-R365 PolarHBondContact O-NH1 3.24Å; C357-R365 PolarHBondContact O-N 3.2Å; Q358-R365 VanDerWaalsContact C-CG 3.46Å; Q358-R365 WeakPolarHBondContact O-CD 3.35Å; D359-R365 HydrophobicContact CB-CG 4.37Å; R363-R365 PolarHBondContact O-N 3.4Å; R365-D367 IonicContact CZ-OD2 3.8Å; R365-D367 IonicContact NH1-OD1 2.76Å; R365-D367 IonicContact NH1-OD2 3.87Å; R365-D367 PolarHBondContact NH1-OD2 3.08Å; R365-D367 IonicContact NH2-OD2 2.9Å; R365-D367 PolarHBondContact NH2-OD2 3.45Å; R365-D367 PolarHBondContact O-N 2.94Å; R365-T370 VanDerWaalsContact O-CB 3.28Å; R365-T370 WeakPolarHBondContact O-CB 3.45Å; R365-T370 PolarHBondContact O-OG1 2.99Å; R365-T370 VanDerWaalsContact O-OG1 3.06Å |
| 366 | R | 91.2 | Very high | 89.1 | Confident | 145 Ų | 145 | 65.9 Ų | 65.9 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -81.7 | 51.8 | -176.7 | -58.8 | -164.7 | -169 | 91.7 | 1.8 | 112.3 | S126 | S126-R366 WeakPolarHBondContact OG-CD 3.34Š|
| 367 | D | 91.9 | Very high | 89.2 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -125.3 | 160.6 | -175.8 | 75.8 | -18.2 | 0 | 0 | 0 | 113.3 | R365 G369 T370 I371 | R365-D367 IonicContact CZ-OD2 3.8Å; R365-D367 IonicContact NH1-OD1 2.76Å; R365-D367 IonicContact NH1-OD2 3.87Å; R365-D367 PolarHBondContact NH1-OD2 3.08Å; R365-D367 IonicContact NH2-OD2 2.9Å; R365-D367 PolarHBondContact NH2-OD2 3.45Å; R365-D367 PolarHBondContact O-N 2.94Å; D367-G369 PolarHBondContact O-N 2.94Å; D367-T370 PolarHBondContact O-N 2.78Å; D367-T370 VanDerWaalsContact O-N 3.1Å; D367-T370 WeakPolarHBondContact OD1-CB 3.25Å; D367-T370 PolarHBondContact OD1-N 3.39Å; D367-T370 PolarHBondContact OD1-OG1 2.8Å; D367-I371 PolarHBondContact O-N 2.98Å |
| 368 | I | 92.1 | Very high | 89.2 | Confident | 72 Ų | 72 | 62 Ų | 62 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -31 | 178.8 | -64.4 | 171.4 | 0 | 0 | 0 | 111.1 | L117 V125 T370 I371 L372 | L117-I368 HydrophobicContact CB-CG2 3.77Å; L117-I368 HydrophobicContact CD1-CG2 4.1Å; L117-I368 HydrophobicContact CD2-CG2 4.33Å; L117-I368 HydrophobicContact CG-CG2 4.28Å; V125-I368 HydrophobicContact CG2-CG1 3.97Å; I368-T370 VanDerWaalsContact C-N 3.29Å; I368-T370 PolarHBondContact O-N 2.75Å; I368-I371 WeakPolarHBondContact O-CB 3.49Å; I368-I371 PolarHBondContact O-N 2.65Å; I368-I371 VanDerWaalsContact O-N 3.15Å; I368-L372 PolarHBondContact O-N 2.77Å |
| 369 | G | 91.6 | Very high | 88.8 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D367 L372 Q373 | D367-G369 PolarHBondContact O-N 2.94Å; G369-L372 PolarHBondContact O-N 2.86Å; G369-Q373 PolarHBondContact O-N 3.42Å |
| 370 | T | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 112 | L129 L353 C357 P364 R365 D367 I368 Q373 I374 | L129-T370 HydrophobicContact CD1-CG2 4.22Å; L129-T370 HydrophobicContact CD2-CG2 4.14Å; L353-T370 HydrophobicContact CD1-CG2 3.88Å; C357-T370 HydrophobicContact CB-CG2 4.22Å; P364-T370 HydrophobicContact CB-CG2 4.25Å; R365-T370 VanDerWaalsContact O-CB 3.28Å; R365-T370 WeakPolarHBondContact O-CB 3.45Å; R365-T370 PolarHBondContact O-OG1 2.99Å; R365-T370 VanDerWaalsContact O-OG1 3.06Å; D367-T370 PolarHBondContact O-N 2.78Å; D367-T370 VanDerWaalsContact O-N 3.1Å; D367-T370 WeakPolarHBondContact OD1-CB 3.25Å; D367-T370 PolarHBondContact OD1-N 3.39Å; D367-T370 PolarHBondContact OD1-OG1 2.8Å; I368-T370 VanDerWaalsContact C-N 3.29Å; I368-T370 PolarHBondContact O-N 2.75Å; T370-Q373 PolarHBondContact O-N 2.79Å; T370-I374 HydrophobicContact CG2-CD1 4.48Å; T370-I374 WeakPolarHBondContact O-CG1 3.3Å; T370-I374 PolarHBondContact O-N 3.38Å; T370-I374 VanDerWaalsContact O-N 3.15Å |
| 371 | I | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 171.7 | -49.8 | -59.2 | 0 | 0 | 0 | 111.2 | L117 V125 F128 L129 L135 D367 I368 Q373 I374 L375 | L117-I371 HydrophobicContact CD2-CB 4.11Å; L117-I371 HydrophobicContact CD2-CG2 3.59Å; V125-I371 HydrophobicContact CG1-CD1 4.23Å; V125-I371 HydrophobicContact CG1-CG1 4.03Å; V125-I371 HydrophobicContact CG2-CG1 4.3Å; F128-I371 HydrophobicContact CD1-CD1 3.53Å; F128-I371 HydrophobicContact CE1-CD1 3.81Å; L129-I371 HydrophobicContact CD1-CD1 3.81Å; L129-I371 HydrophobicContact CD2-CD1 3.94Å; L129-I371 HydrophobicContact CG-CD1 3.77Å; L135-I371 HydrophobicContact CD2-CD1 4.2Å; L135-I371 HydrophobicContact CD2-CG2 3.71Å; D367-I371 PolarHBondContact O-N 2.98Å; I368-I371 WeakPolarHBondContact O-CB 3.49Å; I368-I371 PolarHBondContact O-N 2.65Å; I368-I371 VanDerWaalsContact O-N 3.15Å; I371-Q373 VanDerWaalsContact C-N 3.32Å; I371-Q373 PolarHBondContact O-N 2.83Å; I371-I374 PolarHBondContact O-N 2.91Å; I371-L375 HydrophobicContact CG2-CD1 4.22Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.47Å |
| 372 | L | 91.2 | Very high | 88.1 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 177.8 | -178.6 | 67.1 | 0 | 0 | 0 | 111.5 | V113 L117 I368 G369 L375 N376 | V113-L372 HydrophobicContact CG1-CD1 3.82Å; L117-L372 HydrophobicContact CD1-CB 3.95Å; L117-L372 HydrophobicContact CD1-CD1 3.78Å; L117-L372 HydrophobicContact CD1-CG 4.43Å; I368-L372 PolarHBondContact O-N 2.77Å; G369-L372 PolarHBondContact O-N 2.86Å; L372-L375 PolarHBondContact O-N 3.15Å; L372-N376 WeakPolarHBondContact O-CB 3.28Å; L372-N376 PolarHBondContact O-N 3.02Å; L372-N376 PolarHBondContact O-ND2 3.31Å |
| 373 | Q | 90.6 | Very high | 87.4 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176 | -169.3 | 62.5 | 50.4 | 0 | 0 | 111.9 | G369 T370 I371 L375 N376 D377 | G369-Q373 PolarHBondContact O-N 3.42Å; T370-Q373 PolarHBondContact O-N 2.79Å; I371-Q373 VanDerWaalsContact C-N 3.32Å; I371-Q373 PolarHBondContact O-N 2.83Å; Q373-L375 VanDerWaalsContact C-N 3.32Å; Q373-L375 PolarHBondContact O-N 2.87Å; Q373-N376 PolarHBondContact O-N 3.27Å; Q373-D377 PolarHBondContact NE2-OD1 3.34Å; Q373-D377 WeakPolarHBondContact O-CB 3.35Å; Q373-D377 PolarHBondContact O-N 2.79Å |
| 374 | I | 91.3 | Very high | 86.4 | Confident | 28 Ų | 28 | 53.5 Ų | 53.5 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.3 | -47 | 175.5 | -68 | 164.2 | 0 | 0 | 0 | 110.5 | F128 L129 L150 L353 T370 I371 D377 L378 | F128-I374 HydrophobicContact CE1-CD1 4.27Å; L129-I374 HydrophobicContact CD2-CD1 4.04Å; L150-I374 HydrophobicContact CD1-CG2 4.15Å; L353-I374 HydrophobicContact CD2-CD1 4.32Å; L353-I374 HydrophobicContact CD2-CG1 3.67Å; T370-I374 HydrophobicContact CG2-CD1 4.48Å; T370-I374 WeakPolarHBondContact O-CG1 3.3Å; T370-I374 PolarHBondContact O-N 3.38Å; T370-I374 VanDerWaalsContact O-N 3.15Å; I371-I374 PolarHBondContact O-N 2.91Å; I374-D377 PolarHBondContact O-N 3.48Å; I374-L378 HydrophobicContact CG2-CD1 3.78Å; I374-L378 HydrophobicContact CG2-CG 4.34Å; I374-L378 WeakPolarHBondContact O-CB 3.27Å; I374-L378 WeakPolarHBondContact O-CG 3.2Å; I374-L378 PolarHBondContact O-N 3.03Å |
| 375 | L | 90 | Very high | 85.6 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 178.1 | -69.7 | 168.2 | 0 | 0 | 0 | 112.5 | V113 L117 L137 L150 I371 L372 Q373 L378 L379 | V113-L375 HydrophobicContact CG1-CD1 4.04Å; L117-L375 HydrophobicContact CD1-CD1 4.42Å; L117-L375 HydrophobicContact CD2-CD1 4.14Å; L137-L375 HydrophobicContact CD1-CD1 3.68Å; L137-L375 HydrophobicContact CD1-CD2 4.02Å; L137-L375 HydrophobicContact CD1-CG 4.41Å; L150-L375 HydrophobicContact CD1-CD2 3.95Å; I371-L375 HydrophobicContact CG2-CD1 4.22Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.47Å; L372-L375 PolarHBondContact O-N 3.15Å; Q373-L375 VanDerWaalsContact C-N 3.32Å; Q373-L375 PolarHBondContact O-N 2.87Å; L375-L378 PolarHBondContact O-N 2.87Å; L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 VanDerWaalsContact O-CG 3.23Å; L375-L379 WeakPolarHBondContact O-CG 3.38Å; L375-L379 PolarHBondContact O-N 2.91Å |
| 376 | N | 87.6 | Confident | 84 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 177.7 | -76.6 | -29.5 | 0 | 0 | 0 | 112.5 | L372 Q373 S380 | L372-N376 WeakPolarHBondContact O-CB 3.28Å; L372-N376 PolarHBondContact O-N 3.02Å; L372-N376 PolarHBondContact O-ND2 3.31Å; Q373-N376 PolarHBondContact O-N 3.27Å; N376-S380 VanDerWaalsContact O-CB 3.23Å; N376-S380 WeakPolarHBondContact O-CB 3.3Å; N376-S380 PolarHBondContact O-N 3.4Å; N376-S380 PolarHBondContact O-OG 3.09Å |
| 377 | D | 89 | Confident | 82.5 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 177.6 | -75.1 | 2.7 | 0 | 0 | 0 | 111.1 | A332 Q373 I374 S380 A381 | A332-D377 HydrophobicContact CB-CB 3.91Å; Q373-D377 PolarHBondContact NE2-OD1 3.34Å; Q373-D377 WeakPolarHBondContact O-CB 3.35Å; Q373-D377 PolarHBondContact O-N 2.79Å; I374-D377 PolarHBondContact O-N 3.48Å; D377-S380 PolarHBondContact O-N 3.02Å; D377-A381 WeakPolarHBondContact O-CB 3.42Å; D377-A381 PolarHBondContact O-N 3.04Å |
| 378 | L | 87.4 | Confident | 81.1 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 175.7 | -69.9 | 171.1 | 0 | 0 | 0 | 111.7 | L150 A332 F349 I374 L375 S380 A381 T382 | L150-L378 HydrophobicContact CD1-CD1 4.34Å; L150-L378 HydrophobicContact CD2-CD1 3.63Å; A332-L378 HydrophobicContact CB-CD2 4.4Å; F349-L378 HydrophobicContact CB-CD2 3.38Å; F349-L378 HydrophobicContact CD1-CD2 3.4Å; F349-L378 HydrophobicContact CD2-CD2 3.76Å; F349-L378 HydrophobicContact CE1-CD2 4Å; F349-L378 HydrophobicContact CE2-CD2 4.34Å; F349-L378 HydrophobicContact CG-CD2 3.25Å; F349-L378 HydrophobicContact CZ-CD2 4.45Å; I374-L378 HydrophobicContact CG2-CD1 3.78Å; I374-L378 HydrophobicContact CG2-CG 4.34Å; I374-L378 WeakPolarHBondContact O-CB 3.27Å; I374-L378 WeakPolarHBondContact O-CG 3.2Å; I374-L378 PolarHBondContact O-N 3.03Å; L375-L378 PolarHBondContact O-N 2.87Å; L378-S380 VanDerWaalsContact C-N 3.28Å; L378-S380 PolarHBondContact O-N 2.87Å; L378-A381 WeakPolarHBondContact O-CB 3.44Å; L378-A381 PolarHBondContact O-N 2.89Å; L378-T382 WeakPolarHBondContact O-CG2 3.39Å; L378-T382 PolarHBondContact O-N 3.3Å; L378-T382 VanDerWaalsContact O-N 3.09Å |
| 379 | L | 83.1 | Confident | 79.6 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 38% | 0.382 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 177 | -71.7 | 170.1 | 0 | 0 | 0 | 111.2 | L375 T382 R383 | L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 VanDerWaalsContact O-CG 3.23Å; L375-L379 WeakPolarHBondContact O-CG 3.38Å; L375-L379 PolarHBondContact O-N 2.91Å; L379-T382 PolarHBondContact O-N 2.85Å; L379-T382 PolarHBondContact O-OG1 2.67Å; L379-R383 PolarHBondContact O-N 3.06Å |
| 380 | S | 82.8 | Confident | 78 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.2 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | N376 D377 L378 T382 R383 H384 | N376-S380 VanDerWaalsContact O-CB 3.23Å; N376-S380 WeakPolarHBondContact O-CB 3.3Å; N376-S380 PolarHBondContact O-N 3.4Å; N376-S380 PolarHBondContact O-OG 3.09Å; D377-S380 PolarHBondContact O-N 3.02Å; L378-S380 VanDerWaalsContact C-N 3.28Å; L378-S380 PolarHBondContact O-N 2.87Å; S380-T382 VanDerWaalsContact C-N 3.32Å; S380-T382 PolarHBondContact O-N 2.84Å; S380-R383 PolarHBondContact O-N 2.99Å; S380-H384 PolarHBondContact O-CD2 3.26Å; S380-H384 VanDerWaalsContact O-CD2 3.26Å |
| 381 | A | 83.5 | Confident | 76.3 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A332 I334 D377 L378 R383 H384 Y385 | A332-A381 HydrophobicContact CB-CB 4.41Å; A332-A381 VanDerWaalsContact O-CB 3.31Å; A332-A381 WeakPolarHBondContact O-CB 3.41Å; I334-A381 HydrophobicContact CD1-CB 4.38Å; I334-A381 HydrophobicContact CG1-CB 3.85Å; D377-A381 WeakPolarHBondContact O-CB 3.42Å; D377-A381 PolarHBondContact O-N 3.04Å; L378-A381 WeakPolarHBondContact O-CB 3.44Å; L378-A381 PolarHBondContact O-N 2.89Å; A381-R383 PolarHBondContact O-N 2.95Å; A381-H384 PolarHBondContact O-N 3.38Å; A381-H384 VanDerWaalsContact O-N 3.1Å; A381-Y385 PolarHBondContact O-N 2.74Å |
| 382 | T | 76.1 | Confident | 74.8 | Confident | 35 Ų | 35 | 60 Ų | 60 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -25 | 177.3 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | I334 F349 L378 L379 S380 H384 M388 | I334-T382 HydrophobicContact CD1-CG2 4.09Å; F349-T382 HydrophobicContact CE1-CG2 4.41Å; L378-T382 WeakPolarHBondContact O-CG2 3.39Å; L378-T382 PolarHBondContact O-N 3.3Å; L378-T382 VanDerWaalsContact O-N 3.09Å; L379-T382 PolarHBondContact O-N 2.85Å; L379-T382 PolarHBondContact O-OG1 2.67Å; S380-T382 VanDerWaalsContact C-N 3.32Å; S380-T382 PolarHBondContact O-N 2.84Å; T382-H384 VanDerWaalsContact C-N 3.29Å; T382-H384 PolarHBondContact O-N 3.1Å; T382-M388 HydrophobicContact CG2-CE 3.94Å |
| 383 | R | 67.1 | Low | 73.4 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 33% | 0.328 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.4 | 176.9 | -66.3 | -156.3 | -69.2 | -146 | 0.9 | 114.1 | L379 S380 A381 R396 | L379-R383 PolarHBondContact O-N 3.06Å; S380-R383 PolarHBondContact O-N 2.99Å; A381-R383 PolarHBondContact O-N 2.95Å; R383-R396 HydrophobicContact CG-CG 4.44Å; R383-R396 PolarHBondContact O-NH1 3.37Å |
| 384 | H | 65.2 | Low | 71.9 | Confident | 150 Ų | 150 | 63.4 Ų | 63.4 | 69% | 0.694 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | -10.2 | 179.7 | -65.6 | -61.4 | 0 | 0 | 0 | 114.3 | S380 A381 T382 Q386 | S380-H384 PolarHBondContact O-CD2 3.26Å; S380-H384 VanDerWaalsContact O-CD2 3.26Å; A381-H384 PolarHBondContact O-N 3.38Å; A381-H384 VanDerWaalsContact O-N 3.1Å; T382-H384 VanDerWaalsContact C-N 3.29Å; T382-H384 PolarHBondContact O-N 3.1Å; H384-Q386 PolarHBondContact O-N 2.73Å |
| 385 | Y | 69.9 | Low | 70.3 | Confident | 96 Ų | 96 | 64 Ų | 64 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | trans | -77.7 | 109.8 | 177.3 | -168.4 | -94.5 | 0 | 0 | 0 | 111.2 | I334 A381 G387 M388 | I334-Y385 HydrophobicContact CB-CD2 4.02Å; I334-Y385 HydrophobicContact CB-CE2 4.37Å; I334-Y385 HydrophobicContact CD1-CD2 4.13Å; I334-Y385 HydrophobicContact CD1-CG 4.05Å; I334-Y385 HydrophobicContact CG1-CD2 4.36Å; I334-Y385 HydrophobicContact CG2-CD2 4.43Å; I334-Y385 HydrophobicContact CG2-CE2 4.45Å; A381-Y385 PolarHBondContact O-N 2.74Å; Y385-G387 PolarHBondContact O-N 2.83Å; Y385-G387 VanDerWaalsContact O-N 3.11Å; Y385-M388 HydrophobicContact CD1-CE 3.79Å; Y385-M388 HydrophobicContact CD1-CG 3.99Å; Y385-M388 HydrophobicContact CD1-SD 4.21Å; Y385-M388 HydrophobicContact CG-CE 3.98Å; Y385-M388 WeakPolarHBondContact O-CG 3.24Å; Y385-M388 PolarHBondContact O-N 2.76Å | ||
| 386 | Q | 58.2 | Low | 68.7 | Low | 207 Ų | 207 | 68.4 Ų | 68.4 | 97% | 0.967 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8 | -171.4 | -108.5 | 177.2 | -29.2 | 0 | 0 | 115.4 | H384 | H384-Q386 PolarHBondContact O-N 2.73Š|
| 387 | G | 59.8 | Low | 66.9 | Low | 56 Ų | 56 | 73.2 Ų | 73.2 | 58% | 0.577 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 20.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y385 | Y385-G387 PolarHBondContact O-N 2.83Å; Y385-G387 VanDerWaalsContact O-N 3.11Å |
| 388 | M | 62.3 | Low | 65 | Low | 29 Ų | 29 | 76.8 Ų | 76.8 | 14% | 0.143 | 39% | 0.39 | C | S | . | . | trans | -72.6 | 139 | -175.3 | -79.6 | -61.3 | 171.4 | 0 | 0 | 113.8 | I334 F337 T382 Y385 L392 | I334-M388 HydrophobicContact CD1-CE 3.37Å; F337-M388 HydrophobicContact CD1-CE 4.23Å; F337-M388 HydrophobicContact CD1-SD 4.07Å; F337-M388 HydrophobicContact CD2-CE 3.87Å; F337-M388 HydrophobicContact CE1-CE 4.29Å; F337-M388 HydrophobicContact CE1-SD 3.72Å; F337-M388 HydrophobicContact CE2-CE 3.93Å; F337-M388 HydrophobicContact CE2-SD 4.19Å; F337-M388 HydrophobicContact CG-CE 4.02Å; F337-M388 HydrophobicContact CG-SD 4.45Å; F337-M388 HydrophobicContact CZ-CE 4.14Å; F337-M388 HydrophobicContact CZ-SD 3.78Å; T382-M388 HydrophobicContact CG2-CE 3.94Å; Y385-M388 HydrophobicContact CD1-CE 3.79Å; Y385-M388 HydrophobicContact CD1-CG 3.99Å; Y385-M388 HydrophobicContact CD1-SD 4.21Å; Y385-M388 HydrophobicContact CG-CE 3.98Å; Y385-M388 WeakPolarHBondContact O-CG 3.24Å; Y385-M388 PolarHBondContact O-N 2.76Å; M388-L392 HydrophobicContact SD-CD1 3.62Å | ||
| 389 | P | 59 | Low | 63 | Low | 23 Ų | 23 | 77.9 Ų | 77.9 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | trans | -71.9 | 153.6 | 178.9 | 28.7 | -33.7 | 0 | 0 | 0 | 112.5 | F337 F345 S391 L392 T393 | F337-P389 HydrophobicContact CE1-CG 4.26Å; F345-P389 HydrophobicContact CD1-CG 4.2Å; F345-P389 HydrophobicContact CE1-CB 4.43Å; F345-P389 HydrophobicContact CE1-CG 3.55Å; F345-P389 HydrophobicContact CZ-CG 4.07Å; P389-S391 PolarHBondContact O-N 3Å; P389-L392 PolarHBondContact O-N 3.25Å; P389-T393 PolarHBondContact O-N 2.95Å | ||
| 390 | P | 58.4 | Low | 61.2 | Low | 98 Ų | 98 | 79.2 Ų | 79.2 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.2 | -31.6 | -172.8 | -29.6 | 36.2 | 0 | 0 | 0 | 115.4 | L392 T393 Q394 | P390-L392 VanDerWaalsContact C-N 3.35Å; P390-L392 PolarHBondContact O-N 3.11Å; P390-T393 WeakPolarHBondContact CA-OG1 3.41Å; P390-T393 CarbonylContact O-C 3.5Å; P390-T393 WeakPolarHBondContact O-CA 3.38Å; P390-T393 PolarHBondContact O-N 2.83Å; P390-T393 PolarHBondContact O-OG1 2.87Å; P390-Q394 PolarHBondContact O-N 2.95Å |
| 391 | S | 57.7 | Low | 58.8 | Low | 44 Ų | 44 | 80.6 Ų | 80.6 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 177.2 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | F345 P389 Q394 L395 | F345-S391 WeakPolarHBondContact CZ-OG 3.38Å; P389-S391 PolarHBondContact O-N 3Å; S391-Q394 PolarHBondContact O-N 2.81Å; S391-L395 PolarHBondContact O-N 2.89Å |
| 392 | L | 60.8 | Low | 56.9 | Low | 28 Ų | 28 | 83.6 Ų | 83.6 | 15% | 0.147 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -76.4 | -26.6 | 173 | -75.5 | -176.8 | 0 | 0 | 0 | 111.9 | F337 F345 M388 P389 P390 L395 R396 | F337-L392 HydrophobicContact CE1-CD1 4.4Å; F337-L392 HydrophobicContact CE2-CD1 4.13Å; F337-L392 HydrophobicContact CZ-CD1 3.54Å; F345-L392 HydrophobicContact CD2-CG 4.45Å; F345-L392 HydrophobicContact CE2-CG 4.4Å; M388-L392 HydrophobicContact SD-CD1 3.62Å; P389-L392 PolarHBondContact O-N 3.25Å; P390-L392 VanDerWaalsContact C-N 3.35Å; P390-L392 PolarHBondContact O-N 3.11Å; L392-L395 HydrophobicContact CD2-CD1 4.05Å; L392-L395 WeakPolarHBondContact O-CB 3.34Å; L392-L395 PolarHBondContact O-N 2.74Å; L392-R396 PolarHBondContact O-N 2.81Å |
| 393 | T | 60.7 | Low | 54.9 | Low | 53 Ų | 53 | 86.8 Ų | 86.8 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.9 | -32 | 170.8 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | P389 P390 R396 Y397 | P389-T393 PolarHBondContact O-N 2.95Å; P390-T393 WeakPolarHBondContact CA-OG1 3.41Å; P390-T393 CarbonylContact O-C 3.5Å; P390-T393 WeakPolarHBondContact O-CA 3.38Å; P390-T393 PolarHBondContact O-N 2.83Å; P390-T393 PolarHBondContact O-OG1 2.87Å; T393-R396 CarbonylContact O-C 3.6Å; T393-R396 WeakPolarHBondContact O-CA 3.32Å; T393-R396 WeakPolarHBondContact O-CB 3.29Å; T393-R396 PolarHBondContact O-N 3.17Å; T393-Y397 WeakPolarHBondContact O-CD2 3.45Å; T393-Y397 PolarHBondContact O-N 3.23Å |
| 394 | Q | 60.2 | Low | 53.5 | Low | 136 Ų | 136 | 88 Ų | 88 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 170.1 | -73.8 | 175.7 | -24.7 | 0 | 0 | 111.3 | P390 S391 R396 Y397 Q398 | P390-Q394 PolarHBondContact O-N 2.95Å; S391-Q394 PolarHBondContact O-N 2.81Å; Q394-R396 VanDerWaalsContact C-N 3.28Å; Q394-R396 PolarHBondContact O-N 2.96Å; Q394-Y397 PolarHBondContact O-N 2.7Å; Q394-Q398 PolarHBondContact O-N 2.84Å; Q394-Q398 VanDerWaalsContact O-N 3.17Å |
| 395 | L | 56.5 | Low | 52.4 | Low | 42 Ų | 42 | 87.4 Ų | 87.4 | 22% | 0.22 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 172.6 | -145.8 | 160 | 0 | 0 | 0 | 110.6 | V141 M146 S391 L392 Q398 T399 | V141-L395 HydrophobicContact CG1-CD2 4.05Å; V141-L395 HydrophobicContact CG1-CG 4.12Å; V141-L395 HydrophobicContact CG2-CD2 4.25Å; M146-L395 HydrophobicContact CE-CD1 4.22Å; M146-L395 HydrophobicContact SD-CD1 3.69Å; S391-L395 PolarHBondContact O-N 2.89Å; L392-L395 HydrophobicContact CD2-CD1 4.05Å; L392-L395 WeakPolarHBondContact O-CB 3.34Å; L392-L395 PolarHBondContact O-N 2.74Å; L395-Q398 PolarHBondContact O-N 3.01Å; L395-T399 HydrophobicContact CD2-CG2 4.25Å; L395-T399 WeakPolarHBondContact O-CG2 3.44Å; L395-T399 PolarHBondContact O-N 2.98Å |
| 396 | R | 57.9 | Low | 50.5 | Low | 99 Ų | 99 | 88.4 Ų | 88.4 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 172.4 | -177.6 | -175.2 | -173.5 | 152.4 | 2.1 | 113.3 | R383 L392 T393 Q394 Q398 T399 Q400 | R383-R396 HydrophobicContact CG-CG 4.44Å; R383-R396 PolarHBondContact O-NH1 3.37Å; L392-R396 PolarHBondContact O-N 2.81Å; T393-R396 CarbonylContact O-C 3.6Å; T393-R396 WeakPolarHBondContact O-CA 3.32Å; T393-R396 WeakPolarHBondContact O-CB 3.29Å; T393-R396 PolarHBondContact O-N 3.17Å; Q394-R396 VanDerWaalsContact C-N 3.28Å; Q394-R396 PolarHBondContact O-N 2.96Å; R396-Q398 VanDerWaalsContact C-N 3.26Å; R396-Q398 PolarHBondContact O-N 3.42Å; R396-T399 WeakPolarHBondContact CA-OG1 3.42Å; R396-T399 WeakPolarHBondContact O-CA 3.39Å; R396-T399 PolarHBondContact O-N 3.12Å; R396-T399 PolarHBondContact O-OG1 3.1Å; R396-Q400 HydrophobicContact CG-CG 4.47Å; R396-Q400 PolarHBondContact O-N 3.22Å |
| 397 | Y | 48.5 | Very low | 49.6 | Very low | 170 Ų | 170 | 84.4 Ų | 84.4 | 67% | 0.667 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.2 | -40.3 | 179.6 | -87 | -72.7 | 0 | 0 | 0 | 112 | T393 Q394 T399 C401 | T393-Y397 WeakPolarHBondContact O-CD2 3.45Å; T393-Y397 PolarHBondContact O-N 3.23Å; Q394-Y397 PolarHBondContact O-N 2.7Å; Y397-T399 PolarHBondContact O-N 2.91Å; Y397-C401 PolarHBondContact O-N 3.27Å |
| 398 | Q | 49.5 | Very low | 48.3 | Very low | 100 Ų | 100 | 86.9 Ų | 86.9 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.5 | -15.3 | 176.6 | -144.9 | -179.3 | 88.7 | 0 | 0 | 113.5 | V141 G142 Q394 L395 R396 | V141-Q398 PolarHBondContact O-OE1 2.85Å; G142-Q398 VanDerWaalsContact CA-OE1 3.25Å; Q394-Q398 PolarHBondContact O-N 2.84Å; Q394-Q398 VanDerWaalsContact O-N 3.17Å; L395-Q398 PolarHBondContact O-N 3.01Å; R396-Q398 VanDerWaalsContact C-N 3.26Å; R396-Q398 PolarHBondContact O-N 3.42Å |
| 399 | T | 46 | Very low | 47.1 | Very low | 49 Ų | 49 | 91 Ų | 91 | 30% | 0.301 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -94.9 | -11.2 | 177.6 | 69.4 | 0 | 0 | 0 | 0 | 115.1 | P109 L395 R396 Y397 | P109-T399 HydrophobicContact CB-CG2 4.08Å; P109-T399 HydrophobicContact CG-CG2 3.55Å; L395-T399 HydrophobicContact CD2-CG2 4.25Å; L395-T399 WeakPolarHBondContact O-CG2 3.44Å; L395-T399 PolarHBondContact O-N 2.98Å; R396-T399 WeakPolarHBondContact CA-OG1 3.42Å; R396-T399 WeakPolarHBondContact O-CA 3.39Å; R396-T399 PolarHBondContact O-N 3.12Å; R396-T399 PolarHBondContact O-OG1 3.1Å; Y397-T399 PolarHBondContact O-N 2.91Å |
| 400 | Q | 44.3 | Very low | 46.1 | Very low | 101 Ų | 101 | 95 Ų | 95 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -126.1 | -0.2 | -171.7 | -59.9 | -157.2 | -98.6 | 0 | 0 | 114.9 | R396 | R396-Q400 HydrophobicContact CG-CG 4.47Å; R396-Q400 PolarHBondContact O-N 3.22Å |
| 401 | C | 32.4 | Very low | 45.5 | Very low | 77 Ų | 77 | 95.8 Ų | 95.8 | 52% | 0.52 | 58% | 0.577 | S | S | . | * | trans | -129.9 | 123.3 | -177.4 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | Y397 | Y397-C401 PolarHBondContact O-N 3.27Š| ||
| 402 | G | 44.9 | Very low | 44.9 | Very low | 76 Ų | 76 | 99.3 Ų | 99.3 | 78% | 0.784 | 60% | 0.599 | S | S | * | * | S | Bend | cis | 64.8 | 43.4 | -4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P404 | G402-P404 WeakPolarHBondContact O-CD 3.34Š|
| 403 | S | 33.2 | Very low | 44 | Very low | 102 Ų | 102 | 103.8 Ų | 103.8 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 137.5 | -170.8 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 404 | P | 37.4 | Very low | 43.2 | Very low | 113 Ų | 113 | 106.7 Ų | 106.7 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | -97.5 | 156.4 | 124.7 | 32.4 | -32.6 | 0 | 0 | 0 | 110.9 | G402 | G402-P404 WeakPolarHBondContact O-CD 3.34Š| |
| 405 | T | 42.4 | Very low | 42.7 | Very low | 137 Ų | 137 | 105.6 Ų | 105.6 | 84% | 0.84 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 145.5 | 175.5 | 39.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 406 | S | 30.6 | Very low | 41.9 | Very low | 116 Ų | 116 | 109.4 Ų | 109.4 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | trans | -157.6 | 145.5 | 157.5 | -80.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 407 | P | 39.9 | Very low | 41 | Very low | 123 Ų | 123 | 112 Ų | 112 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 151.9 | -170.7 | 30.4 | -35.6 | 0 | 0 | 0 | 112.8 | ||
| 408 | S | 32.3 | Very low | 40.3 | Very low | 108 Ų | 108 | 108.2 Ų | 108.2 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.6 | 168.2 | -175.4 | 0 | 0 | 0 | 0 | 110 | ||
| 409 | P | 36.5 | Very low | 39.4 | Very low | 115 Ų | 115 | 107 Ų | 107 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 141.6 | 163.4 | 28.4 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 410 | S | 37.1 | Very low | 38.8 | Very low | 107 Ų | 107 | 114 Ų | 114 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 153.3 | 173.2 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 411 | P | 46.7 | Very low | 38.3 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 148.8 | 171.3 | 28.8 | -35 | 0 | 0 | 0 | 111 | ||
| 412 | P | 45.7 | Very low | 38.1 | Very low | 117 Ų | 117 | 116 Ų | 116 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 148.9 | 177.2 | 29.9 | -35.2 | 0 | 0 | 0 | 111.5 | ||
| 413 | P | 42.3 | Very low | 37.5 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 145.5 | 173.3 | 30.6 | -34.5 | 0 | 0 | 0 | 111.4 | ||
| 414 | S | 43 | Very low | 37.5 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 145.2 | 170.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 415 | P | 50.3 | Low | 37.2 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 149.5 | -177.7 | 29.9 | -35.8 | 0 | 0 | 0 | 112.4 | ||
| 416 | P | 38.5 | Very low | 36.5 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 133.7 | 169.6 | 30.6 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 417 | V | 38.8 | Very low | 36.5 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82 | 118.5 | 167.9 | 175.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 418 | A | 34.8 | Very low | 36 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -135 | 123.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 419 | G | 30.3 | Very low | 35.9 | Very low | 74 Ų | 74 | 121.8 Ų | 121.8 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 77.5 | 94.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 420 | M | 33.1 | Very low | 35.7 | Very low | 196 Ų | 196 | 122.7 Ų | 122.7 | 97% | 0.966 | 80% | 0.801 | S | S | * | * | trans | -124.8 | 150.8 | 132.5 | -74.4 | -168.4 | 72.8 | 0 | 0 | 108.9 | ||||
| 421 | T | 33.3 | Very low | 36.6 | Very low | 150 Ų | 150 | 123 Ų | 123 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | trans | -97 | 150.9 | -159.3 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 422 | G | 28.9 | Very low | 35.8 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 173.9 | 98.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 423 | L | 33.5 | Very low | 35 | Very low | 174 Ų | 174 | 120.8 Ų | 120.8 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | 66 | 100.5 | 141.6 | -51.3 | -178.5 | 0 | 0 | 0 | 122.1 | ||||
| 424 | S | 31.7 | Very low | 34.5 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | 84.6 | 127.5 | 117 | -152.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 425 | A | 31.8 | Very low | 35.1 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 66 | 156.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 426 | K | 28.5 | Very low | 35.1 | Very low | 196 Ų | 196 | 120.5 Ų | 120.5 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | cis | -171.6 | 143.4 | -33.5 | 173.7 | 174 | 174.9 | -179.1 | 0 | 107.9 | ||||
| 427 | A | 29.2 | Very low | 35.7 | Very low | 84 Ų | 84 | 120 Ų | 120 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | 66.4 | 164.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 428 | T | 30.1 | Very low | 35.3 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | cis | -167 | 147.7 | -28 | -88.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 429 | S | 30.6 | Very low | 35.2 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | 63.9 | 148.4 | 159.4 | 66.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 430 | V | 32.7 | Very low | 35.4 | Very low | 135 Ų | 135 | 128 Ų | 128 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -98.5 | 179.4 | 163.2 | -110.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 431 | P | 54.4 | Low | 36 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -138.8 | -175 | -5.7 | 36.1 | -14.9 | 0 | 0 | 0 | 116.8 | ||||
| 432 | A | 30.7 | Very low | 36.2 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | 74.7 | 145.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 433 | G | 27.9 | Very low | 36.5 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 153.8 | 126.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 434 | S | 33.3 | Very low | 36.7 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -171.8 | 172.4 | 168.7 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 435 | P | 56 | Low | 37 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | cis | -118.9 | -125.8 | -12.9 | 32 | -8 | 0 | 0 | 0 | 108.5 | ||||
| 436 | P | 49.6 | Very low | 37 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | cis | -120.7 | -99.2 | -29 | 22.7 | 3.8 | 0 | 0 | 0 | 117.1 | ||||
| 437 | P | 50.6 | Low | 37.9 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -139.9 | 161.9 | -136 | 43.1 | -22.4 | 0 | 0 | 0 | 120.5 | ||||
| 438 | T | 30.3 | Very low | 38.3 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -140.9 | 100.9 | 157.5 | 52.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 439 | L | 33.1 | Very low | 39.2 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | 28.7 | 139.3 | 147.8 | -59.3 | 175.6 | 0 | 0 | 0 | 124.1 | ||||
| 440 | H | 34.2 | Very low | 40 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -72.5 | 166.9 | 164.1 | -110.4 | -91.2 | 0 | 0 | 0 | 113.2 | ||||
| 441 | P | 44.9 | Very low | 40.5 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | -113.3 | 166.2 | 112.3 | -13.3 | 31.1 | 0 | 0 | 0 | 114.7 | |||||
| 442 | L | 38.2 | Very low | 40 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -121.1 | 133.4 | -171.8 | 170.7 | 151.8 | 0 | 0 | 0 | 111.4 | ||||
| 443 | V | 36.2 | Very low | 41.3 | Very low | 136 Ų | 136 | 142 Ų | 142 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -140 | 98 | 162.8 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 444 | Q | 36.3 | Very low | 42.3 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 57.9 | 138.3 | 138.8 | -145.9 | 160.7 | 12 | 0 | 0 | 121.9 | ||||
| 445 | C | 38.3 | Very low | 43.5 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -75.1 | 149.8 | -174.7 | -52.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 446 | Q | 32.6 | Very low | 43.4 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | -144.7 | 126.5 | 129.5 | -138.6 | -173.3 | 106.6 | 0 | 0 | 111.8 | |||||
| 447 | S | 47.9 | Very low | 43.7 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -84.5 | 115.3 | 178.8 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 448 | Q | 36.5 | Very low | 44.4 | Very low | 136 Ų | 136 | 139 Ų | 139 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -134.7 | 105.2 | 171.9 | -161.4 | 171.5 | 73.7 | 0 | 0 | 112.1 | R450 | Q448-R450 PolarHBondContact O-N 3.32Š| ||
| 449 | I | 50.3 | Low | 46 | Very low | 158 Ų | 158 | 138 Ų | 138 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -69.4 | 94.7 | 178.8 | -58.2 | 166.8 | 0 | 0 | 0 | 109 | M451 | I449-M451 PolarHBondContact O-N 3.17Å; I449-M451 VanDerWaalsContact O-N 3.14Å | ||
| 450 | R | 46.1 | Very low | 47.6 | Very low | 209 Ų | 209 | 137.3 Ų | 137.3 | 79% | 0.789 | 71% | 0.713 | S | S | * | * | trans | -78.6 | 96.6 | 167.9 | -69.7 | -164.5 | -171.1 | -133 | 1.7 | 109.5 | Q448 C452 | Q448-R450 PolarHBondContact O-N 3.32Å; R450-C452 PolarHBondContact O-N 2.84Å | ||
| 451 | M | 42.9 | Very low | 49.3 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 83% | 0.833 | 71% | 0.707 | S | S | * | * | trans | -41.1 | 125 | 170 | -71.9 | -75.3 | -80.8 | 0 | 0 | 111.5 | I449 K453 | I449-M451 PolarHBondContact O-N 3.17Å; I449-M451 VanDerWaalsContact O-N 3.14Å; M451-K453 PolarHBondContact O-N 3.42Å | ||
| 452 | C | 44.7 | Very low | 50.3 | Low | 130 Ų | 130 | 134.5 Ų | 134.5 | 88% | 0.878 | 70% | 0.696 | S | S | * | * | trans | -67.9 | 103.5 | 178.5 | -74.1 | 0 | 0 | 0 | 0 | 110.6 | R450 | R450-C452 PolarHBondContact O-N 2.84Š| ||
| 453 | K | 57.7 | Low | 51.6 | Low | 153 Ų | 153 | 133.1 Ų | 133.1 | 67% | 0.665 | 69% | 0.686 | S | S | * | * | trans | -60.7 | 126.8 | 171.9 | -163.5 | 71 | 158.8 | 128.5 | 0 | 108.6 | M451 D457 | M451-K453 PolarHBondContact O-N 3.42Å; K453-D457 WeakPolarHBondContact CE-OD2 3.44Å; K453-D457 HydrophobicContact CG-CB 4.15Å; K453-D457 IonicContact NZ-OD2 2.74Å; K453-D457 PolarHBondContact NZ-OD2 3.42Å | ||
| 454 | P | 48.8 | Very low | 53.5 | Low | 79 Ų | 79 | 131 Ų | 131 | 51% | 0.513 | 67% | 0.67 | S | S | . | * | trans | -62.1 | 142.1 | -174.5 | 24.5 | -33.9 | 0 | 0 | 0 | 111.3 | G456 D457 | P454-G456 PolarHBondContact O-N 3.25Å; P454-D457 PolarHBondContact O-N 2.76Å | ||
| 455 | P | 58.2 | Low | 55.6 | Low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.5 | -26.5 | -166.9 | 20 | -32.1 | 0 | 0 | 0 | 114.3 | D457 R458 | P455-D457 VanDerWaalsContact C-N 3.26Å; P455-D457 PolarHBondContact O-N 2.8Å; P455-R458 PolarHBondContact O-N 2.92Å |
| 456 | G | 54 | Low | 57.7 | Low | 37 Ų | 37 | 128.1 Ų | 128.1 | 38% | 0.381 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -60.2 | -28.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | P454 R458 I459 R460 | P454-G456 PolarHBondContact O-N 3.25Å; G456-R458 PolarHBondContact O-N 2.84Å; G456-I459 PolarHBondContact O-N 3.3Å; G456-R460 WeakPolarHBondContact O-CG 3.42Å; G456-R460 PolarHBondContact O-N 2.84Å; G456-R460 VanDerWaalsContact O-N 3.07Å |
| 457 | D | 57 | Low | 60.4 | Low | 49 Ų | 49 | 122.9 Ų | 122.9 | 26% | 0.262 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.6 | -37.4 | 179.4 | -84.6 | -17.7 | 0 | 0 | 0 | 112 | K453 P454 P455 Q461 | K453-D457 WeakPolarHBondContact CE-OD2 3.44Å; K453-D457 HydrophobicContact CG-CB 4.15Å; K453-D457 IonicContact NZ-OD2 2.74Å; K453-D457 PolarHBondContact NZ-OD2 3.42Å; P454-D457 PolarHBondContact O-N 2.76Å; P455-D457 VanDerWaalsContact C-N 3.26Å; P455-D457 PolarHBondContact O-N 2.8Å; D457-Q461 VanDerWaalsContact O-CB 3.26Å; D457-Q461 WeakPolarHBondContact O-CB 3.38Å; D457-Q461 PolarHBondContact O-N 3.38Å |
| 458 | R | 64.1 | Low | 62.3 | Low | 188 Ų | 188 | 126.3 Ų | 126.3 | 71% | 0.709 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.9 | -34.6 | 179.1 | -56.6 | -157.8 | 80.4 | -165.4 | 4.8 | 112 | P455 G456 T462 | P455-R458 PolarHBondContact O-N 2.92Å; G456-R458 PolarHBondContact O-N 2.84Å; R458-T462 WeakPolarHBondContact O-CB 3.31Å; R458-T462 PolarHBondContact O-N 3.22Å; R458-T462 VanDerWaalsContact O-N 3.08Å; R458-T462 PolarHBondContact O-OG1 3.35Å |
| 459 | I | 64.5 | Low | 64.9 | Low | 121 Ų | 121 | 123 Ų | 123 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.4 | -48.6 | 175.7 | -130.7 | 70.8 | 0 | 0 | 0 | 110.3 | G456 Q461 T462 E463 | G456-I459 PolarHBondContact O-N 3.3Å; I459-Q461 PolarHBondContact O-N 2.69Å; I459-T462 PolarHBondContact O-N 2.95Å; I459-E463 PolarHBondContact O-N 3.04Å |
| 460 | R | 66.1 | Low | 67 | Low | 159 Ų | 159 | 122.6 Ų | 122.6 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64 | -37.3 | 178.8 | -67 | 175.5 | 78.5 | -148.7 | 6.6 | 112.3 | G456 N464 | G456-R460 WeakPolarHBondContact O-CG 3.42Å; G456-R460 PolarHBondContact O-N 2.84Å; G456-R460 VanDerWaalsContact O-N 3.07Å; R460-N464 WeakPolarHBondContact O-CB 3.41Å; R460-N464 PolarHBondContact O-N 3.03Å; R460-N464 PolarHBondContact O-ND2 3.23Å |
| 461 | Q | 69.3 | Low | 69.4 | Low | 142 Ų | 142 | 116 Ų | 116 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.7 | -36.6 | 176.8 | -167 | 174.5 | 29.1 | 0 | 0 | 112.1 | D457 I459 R465 | D457-Q461 VanDerWaalsContact O-CB 3.26Å; D457-Q461 WeakPolarHBondContact O-CB 3.38Å; D457-Q461 PolarHBondContact O-N 3.38Å; I459-Q461 PolarHBondContact O-N 2.69Å; Q461-R465 PolarHBondContact O-N 2.84Å; Q461-R465 VanDerWaalsContact O-N 3.11Å |
| 462 | T | 65.8 | Low | 71.8 | Confident | 96 Ų | 96 | 114 Ų | 114 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.8 | -44.2 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | R458 I459 R465 A466 | R458-T462 WeakPolarHBondContact O-CB 3.31Å; R458-T462 PolarHBondContact O-N 3.22Å; R458-T462 VanDerWaalsContact O-N 3.08Å; R458-T462 PolarHBondContact O-OG1 3.35Å; I459-T462 PolarHBondContact O-N 2.95Å; T462-R465 WeakPolarHBondContact O-CB 3.34Å; T462-R465 PolarHBondContact O-N 3.31Å; T462-A466 PolarHBondContact O-N 3.49Å |
| 463 | E | 66.8 | Low | 74.2 | Confident | 123 Ų | 123 | 116.6 Ų | 116.6 | 58% | 0.575 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.4 | -46.8 | 173.5 | -176.6 | -178 | -161.7 | 0 | 0 | 111.8 | I459 R465 A466 T467 | I459-E463 PolarHBondContact O-N 3.04Å; E463-R465 VanDerWaalsContact C-N 3.29Å; E463-R465 PolarHBondContact O-N 3.09Å; E463-A466 PolarHBondContact O-N 3.22Å; E463-A466 VanDerWaalsContact O-N 3.12Å; E463-T467 PolarHBondContact O-N 3Å; E463-T467 PolarHBondContact O-OG1 3.5Å |
| 464 | N | 76.3 | Confident | 76.1 | Confident | 90 Ų | 90 | 114 Ų | 114 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.6 | -37.6 | 176.4 | -89.6 | -92.4 | 0 | 0 | 0 | 112.4 | R460 R468 | R460-N464 WeakPolarHBondContact O-CB 3.41Å; R460-N464 PolarHBondContact O-N 3.03Å; R460-N464 PolarHBondContact O-ND2 3.23Å; N464-R468 WeakPolarHBondContact O-CG 3.2Å; N464-R468 PolarHBondContact O-N 2.93Å |
| 465 | R | 79.4 | Confident | 78.3 | Confident | 192 Ų | 192 | 116.3 Ų | 116.3 | 73% | 0.725 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.5 | -46.8 | 173.2 | -170.7 | -177.7 | -177 | -162.8 | 1.7 | 111.3 | Q461 T462 E463 T467 R468 C469 | Q461-R465 PolarHBondContact O-N 2.84Å; Q461-R465 VanDerWaalsContact O-N 3.11Å; T462-R465 WeakPolarHBondContact O-CB 3.34Å; T462-R465 PolarHBondContact O-N 3.31Å; E463-R465 VanDerWaalsContact C-N 3.29Å; E463-R465 PolarHBondContact O-N 3.09Å; R465-T467 VanDerWaalsContact C-N 3.31Å; R465-T467 PolarHBondContact O-N 3.14Å; R465-R468 PolarHBondContact O-N 2.94Å; R465-C469 PolarHBondContact O-N 3.1Å; R465-C469 VanDerWaalsContact O-N 3.1Å; R465-C469 PolarHBondContact O-SG 3.05Å |
| 466 | A | 82.2 | Confident | 80.2 | Confident | 47 Ų | 47 | 116 Ų | 116 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T462 E463 K470 | T462-A466 PolarHBondContact O-N 3.49Å; E463-A466 PolarHBondContact O-N 3.22Å; E463-A466 VanDerWaalsContact O-N 3.12Å; A466-K470 WeakPolarHBondContact O-CB 3.32Å; A466-K470 VanDerWaalsContact O-CG 3.29Å; A466-K470 WeakPolarHBondContact O-CG 3.05Å; A466-K470 PolarHBondContact O-N 3.46Å |
| 467 | T | 89.9 | Confident | 82.3 | Confident | 69 Ų | 69 | 118.3 Ų | 118.3 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -42.2 | 175.5 | -65.6 | 0 | 0 | 0 | 0 | 112 | E463 R465 K470 V471 | E463-T467 PolarHBondContact O-N 3Å; E463-T467 PolarHBondContact O-OG1 3.5Å; R465-T467 VanDerWaalsContact C-N 3.31Å; R465-T467 PolarHBondContact O-N 3.14Å; T467-K470 PolarHBondContact O-N 2.93Å; T467-V471 WeakPolarHBondContact O-CG2 3.35Å; T467-V471 PolarHBondContact O-N 2.91Å |
| 468 | R | 87.8 | Confident | 84.1 | Confident | 189 Ų | 189 | 121.6 Ų | 121.6 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.8 | -51.3 | 173.5 | -75 | 177 | -178.6 | -168.6 | -0.9 | 111.9 | N464 R465 K470 V471 E472 | N464-R468 WeakPolarHBondContact O-CG 3.2Å; N464-R468 PolarHBondContact O-N 2.93Å; R465-R468 PolarHBondContact O-N 2.94Å; R468-K470 VanDerWaalsContact C-N 3.29Å; R468-K470 PolarHBondContact O-N 3.44Å; R468-V471 PolarHBondContact O-N 2.9Å; R468-V471 VanDerWaalsContact O-N 3.14Å; R468-E472 WeakPolarHBondContact O-CB 3.41Å; R468-E472 PolarHBondContact O-N 3.33Å |
| 469 | C | 91.4 | Very high | 85.6 | Confident | 66 Ų | 66 | 118.3 Ų | 118.3 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.9 | -31.5 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | R465 R473 | R465-C469 PolarHBondContact O-N 3.1Å; R465-C469 VanDerWaalsContact O-N 3.1Å; R465-C469 PolarHBondContact O-SG 3.05Å; C469-R473 WeakPolarHBondContact O-CB 3.3Å; C469-R473 PolarHBondContact O-N 3.25Å |
| 470 | K | 94.8 | Very high | 87.1 | Confident | 149 Ų | 149 | 117.6 Ų | 117.6 | 65% | 0.648 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.4 | -42.5 | 172 | -77.4 | 172.5 | 179.6 | 177.9 | 0 | 112.2 | A466 T467 R468 L474 | A466-K470 WeakPolarHBondContact O-CB 3.32Å; A466-K470 VanDerWaalsContact O-CG 3.29Å; A466-K470 WeakPolarHBondContact O-CG 3.05Å; A466-K470 PolarHBondContact O-N 3.46Å; T467-K470 PolarHBondContact O-N 2.93Å; R468-K470 VanDerWaalsContact C-N 3.29Å; R468-K470 PolarHBondContact O-N 3.44Å; K470-L474 WeakPolarHBondContact O-CB 3.37Å; K470-L474 PolarHBondContact O-N 3.23Å |
| 471 | V | 95.3 | Very high | 88.4 | Confident | 71 Ų | 71 | 116 Ų | 116 | 43% | 0.43 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66 | -44.5 | 177.5 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | T467 R468 L474 Q475 | T467-V471 WeakPolarHBondContact O-CG2 3.35Å; T467-V471 PolarHBondContact O-N 2.91Å; R468-V471 PolarHBondContact O-N 2.9Å; R468-V471 VanDerWaalsContact O-N 3.14Å; V471-L474 CarbonylContact O-C 3.6Å; V471-L474 WeakPolarHBondContact O-CB 3.5Å; V471-L474 PolarHBondContact O-N 3.22Å; V471-L474 VanDerWaalsContact O-N 3.14Å; V471-Q475 WeakPolarHBondContact O-CG 3.43Å; V471-Q475 PolarHBondContact O-N 3.04Å |
| 472 | E | 94.2 | Very high | 89.7 | Confident | 128 Ų | 128 | 118.3 Ų | 118.3 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.7 | -48.8 | 175.3 | -177.6 | 175.4 | -150.9 | 0 | 0 | 111.7 | R468 L474 Q475 L476 | R468-E472 WeakPolarHBondContact O-CB 3.41Å; R468-E472 PolarHBondContact O-N 3.33Å; E472-L474 VanDerWaalsContact C-N 3.29Å; E472-L474 PolarHBondContact O-N 2.84Å; E472-Q475 PolarHBondContact O-N 3.03Å; E472-L476 PolarHBondContact O-N 2.82Å |
| 473 | R | 94.9 | Very high | 91 | Very high | 184 Ų | 184 | 118.8 Ų | 118.8 | 69% | 0.694 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.5 | -37.2 | 173.3 | -171.7 | -179.3 | -176.3 | -141.6 | 2.5 | 112.4 | C469 L477 | C469-R473 WeakPolarHBondContact O-CB 3.3Å; C469-R473 PolarHBondContact O-N 3.25Å; R473-L477 HydrophobicContact CG-CD1 4.32Å; R473-L477 WeakPolarHBondContact O-CB 3.44Å; R473-L477 VanDerWaalsContact O-CG 3.3Å; R473-L477 WeakPolarHBondContact O-CG 3.41Å; R473-L477 PolarHBondContact O-N 3.29Å |
| 474 | L | 97.1 | Very high | 92.2 | Very high | 98 Ų | 98 | 121.2 Ų | 121.2 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.3 | -41 | 176.6 | 179.5 | 61.5 | 0 | 0 | 0 | 111.8 | K470 V471 E472 L477 M478 | K470-L474 WeakPolarHBondContact O-CB 3.37Å; K470-L474 PolarHBondContact O-N 3.23Å; V471-L474 CarbonylContact O-C 3.6Å; V471-L474 WeakPolarHBondContact O-CB 3.5Å; V471-L474 PolarHBondContact O-N 3.22Å; V471-L474 VanDerWaalsContact O-N 3.14Å; E472-L474 VanDerWaalsContact C-N 3.29Å; E472-L474 PolarHBondContact O-N 2.84Å; L474-L477 PolarHBondContact O-N 3.35Å; L474-M478 HydrophobicContact CD1-CG 4.32Å; L474-M478 WeakPolarHBondContact O-CB 3.47Å; L474-M478 WeakPolarHBondContact O-CG 3.37Å; L474-M478 PolarHBondContact O-N 3.14Å |
| 475 | Q | 96.1 | Very high | 92.8 | Very high | 128 Ų | 128 | 123.7 Ų | 123.7 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.8 | -45.9 | 175 | -73.9 | 176.1 | -7.1 | 0 | 0 | 111.1 | V471 E472 L477 M478 Q479 | V471-Q475 WeakPolarHBondContact O-CG 3.43Å; V471-Q475 PolarHBondContact O-N 3.04Å; E472-Q475 PolarHBondContact O-N 3.03Å; Q475-L477 PolarHBondContact O-N 3.41Å; Q475-M478 PolarHBondContact O-N 2.88Å; Q475-Q479 WeakPolarHBondContact O-CB 3.18Å; Q475-Q479 PolarHBondContact O-N 3.32Å |
| 476 | L | 97.3 | Very high | 93.2 | Very high | 111 Ų | 111 | 119.8 Ų | 119.8 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.3 | -46 | 174.4 | -175.8 | 66.7 | 0 | 0 | 0 | 111.9 | E472 M478 Q479 Q480 | E472-L476 PolarHBondContact O-N 2.82Å; L476-M478 PolarHBondContact O-N 3.35Å; L476-Q479 PolarHBondContact O-N 2.83Å; L476-Q480 WeakPolarHBondContact O-CB 3.35Å; L476-Q480 PolarHBondContact O-N 2.84Å |
| 477 | L | 97.5 | Very high | 93.2 | Very high | 85 Ų | 85 | 119.7 Ų | 119.7 | 45% | 0.445 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -37.5 | 175.7 | -73.5 | 168.6 | 0 | 0 | 0 | 112.5 | R473 L474 Q475 K481 | R473-L477 HydrophobicContact CG-CD1 4.32Å; R473-L477 WeakPolarHBondContact O-CB 3.44Å; R473-L477 VanDerWaalsContact O-CG 3.3Å; R473-L477 WeakPolarHBondContact O-CG 3.41Å; R473-L477 PolarHBondContact O-N 3.29Å; L474-L477 PolarHBondContact O-N 3.35Å; Q475-L477 PolarHBondContact O-N 3.41Å; L477-K481 WeakPolarHBondContact O-CB 3.44Å; L477-K481 PolarHBondContact O-N 3.18Å |
| 478 | M | 95.9 | Very high | 92.9 | Very high | 118 Ų | 118 | 124.3 Ų | 124.3 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.2 | -38 | 175.3 | -74.6 | -166.8 | 75.2 | 0 | 0 | 112.3 | L474 Q475 L476 K481 R482 | L474-M478 HydrophobicContact CD1-CG 4.32Å; L474-M478 WeakPolarHBondContact O-CB 3.47Å; L474-M478 WeakPolarHBondContact O-CG 3.37Å; L474-M478 PolarHBondContact O-N 3.14Å; Q475-M478 PolarHBondContact O-N 2.88Å; L476-M478 PolarHBondContact O-N 3.35Å; M478-K481 PolarHBondContact O-N 3.45Å; M478-R482 WeakPolarHBondContact O-CB 3.42Å; M478-R482 PolarHBondContact O-N 2.87Å |
| 479 | Q | 96.1 | Very high | 92.5 | Very high | 118 Ų | 118 | 123.6 Ų | 123.6 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.7 | -48.8 | 173.7 | -167.8 | -172.4 | 38.1 | 0 | 0 | 110.5 | Q475 L476 K481 R482 L483 | Q475-Q479 WeakPolarHBondContact O-CB 3.18Å; Q475-Q479 PolarHBondContact O-N 3.32Å; L476-Q479 PolarHBondContact O-N 2.83Å; Q479-K481 VanDerWaalsContact C-N 3.3Å; Q479-K481 PolarHBondContact O-N 3.42Å; Q479-R482 CarbonylContact O-C 3.59Å; Q479-R482 WeakPolarHBondContact O-CA 3.37Å; Q479-R482 WeakPolarHBondContact O-CB 3.46Å; Q479-R482 PolarHBondContact O-N 2.83Å; Q479-L483 WeakPolarHBondContact O-CG 3.38Å; Q479-L483 PolarHBondContact O-N 3.2Å |
| 480 | Q | 95.8 | Very high | 91.6 | Very high | 106 Ų | 106 | 124.2 Ų | 124.2 | 50% | 0.495 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.1 | -38.6 | 175.2 | -163.5 | -168.7 | 52.3 | 0 | 0 | 111.8 | L476 L483 R484 | L476-Q480 WeakPolarHBondContact O-CB 3.35Å; L476-Q480 PolarHBondContact O-N 2.84Å; Q480-L483 PolarHBondContact O-N 3.47Å; Q480-R484 WeakPolarHBondContact O-CB 3.46Å; Q480-R484 PolarHBondContact O-N 3.15Å |
| 481 | K | 93.6 | Very high | 90.1 | Very high | 125 Ų | 125 | 125.3 Ų | 125.3 | 54% | 0.543 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.8 | -29.8 | 174.2 | -168 | 172.7 | -174.6 | 173.9 | 0 | 112.7 | L477 M478 Q479 R485 | L477-K481 WeakPolarHBondContact O-CB 3.44Å; L477-K481 PolarHBondContact O-N 3.18Å; M478-K481 PolarHBondContact O-N 3.45Å; Q479-K481 VanDerWaalsContact C-N 3.3Å; Q479-K481 PolarHBondContact O-N 3.42Å; K481-R485 WeakPolarHBondContact O-CG 3.33Å; K481-R485 PolarHBondContact O-N 2.84Å |
| 482 | R | 94.9 | Very high | 88.6 | Confident | 192 Ų | 192 | 132.4 Ų | 132.4 | 73% | 0.725 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.2 | -46.2 | 171.4 | -170.8 | -176.7 | -73.3 | -167.7 | -2.2 | 110.4 | M478 Q479 R485 K486 | M478-R482 WeakPolarHBondContact O-CB 3.42Å; M478-R482 PolarHBondContact O-N 2.87Å; Q479-R482 CarbonylContact O-C 3.59Å; Q479-R482 WeakPolarHBondContact O-CA 3.37Å; Q479-R482 WeakPolarHBondContact O-CB 3.46Å; Q479-R482 PolarHBondContact O-N 2.83Å; R482-R485 WeakPolarHBondContact O-CB 3.44Å; R482-R485 PolarHBondContact O-N 2.9Å; R482-R485 VanDerWaalsContact O-N 3.08Å; R482-K486 PolarHBondContact O-N 3.08Å |
| 483 | L | 93.6 | Very high | 86.5 | Confident | 105 Ų | 105 | 129 Ų | 129 | 55% | 0.55 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.9 | -46.3 | 174.5 | -67.4 | 171.4 | 0 | 0 | 0 | 111.9 | Q479 Q480 R485 K486 A487 | Q479-L483 WeakPolarHBondContact O-CG 3.38Å; Q479-L483 PolarHBondContact O-N 3.2Å; Q480-L483 PolarHBondContact O-N 3.47Å; L483-R485 PolarHBondContact O-N 3.44Å; L483-R485 VanDerWaalsContact O-N 3.15Å; L483-K486 PolarHBondContact O-N 2.85Å; L483-A487 PolarHBondContact O-N 3.47Å |
| 484 | R | 91.7 | Very high | 84.7 | Confident | 175 Ų | 175 | 125.9 Ų | 125.9 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.9 | -13.8 | 172.2 | -80 | -174.4 | 166 | -155 | -3.2 | 114.4 | Q480 R488 | Q480-R484 WeakPolarHBondContact O-CB 3.46Å; Q480-R484 PolarHBondContact O-N 3.15Å; R484-R488 PolarHBondContact O-NE 2.88Å; R484-R488 PolarHBondContact O-NH2 3.47Å |
| 485 | R | 88.5 | Confident | 82.4 | Confident | 142 Ų | 142 | 130.9 Ų | 130.9 | 54% | 0.536 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -89.7 | -38.7 | 167.6 | -76.9 | 172.6 | 176.4 | 141.3 | -16.1 | 111.5 | K481 R482 L483 R489 | K481-R485 WeakPolarHBondContact O-CG 3.33Å; K481-R485 PolarHBondContact O-N 2.84Å; R482-R485 WeakPolarHBondContact O-CB 3.44Å; R482-R485 PolarHBondContact O-N 2.9Å; R482-R485 VanDerWaalsContact O-N 3.08Å; L483-R485 PolarHBondContact O-N 3.44Å; L483-R485 VanDerWaalsContact O-N 3.15Å; R485-R489 PolarHBondContact O-N 2.84Å |
| 486 | K | 88.4 | Confident | 80.3 | Confident | 110 Ų | 110 | 133 Ų | 133 | 48% | 0.478 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.9 | -55.4 | 174.7 | -169.8 | -177.8 | -177.8 | -69.2 | 0 | 110.7 | R482 L483 R488 R489 D490 | R482-K486 PolarHBondContact O-N 3.08Å; L483-K486 PolarHBondContact O-N 2.85Å; K486-R488 VanDerWaalsContact C-N 3.26Å; K486-R488 PolarHBondContact O-N 3.14Å; K486-R488 VanDerWaalsContact O-N 3.14Å; K486-R489 WeakPolarHBondContact O-CA 3.41Å; K486-R489 WeakPolarHBondContact O-CB 3.44Å; K486-R489 PolarHBondContact O-N 2.88Å; K486-D490 WeakPolarHBondContact CG-OD2 3.41Å; K486-D490 IonicContact NZ-OD1 3.73Å; K486-D490 IonicContact NZ-OD2 2.65Å; K486-D490 PolarHBondContact NZ-OD2 3.26Å; K486-D490 PolarHBondContact O-N 3.04Å |
| 487 | A | 83.4 | Confident | 78.2 | Confident | 45 Ų | 45 | 138.8 Ų | 138.8 | 37% | 0.372 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -54.4 | -37.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L483 R489 D490 Q491 | L483-A487 PolarHBondContact O-N 3.47Å; A487-R489 VanDerWaalsContact C-N 3.32Å; A487-R489 PolarHBondContact O-N 3.04Å; A487-D490 PolarHBondContact O-N 2.84Å; A487-Q491 VanDerWaalsContact O-CB 3.28Å; A487-Q491 WeakPolarHBondContact O-CB 3.36Å; A487-Q491 WeakPolarHBondContact O-CG 3.28Å; A487-Q491 PolarHBondContact O-N 3.25Å |
| 488 | R | 83.4 | Confident | 76.2 | Confident | 165 Ų | 165 | 140.3 Ų | 140.3 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.8 | -12.8 | 175.5 | -78 | -173.1 | -65.9 | 160.1 | -0.2 | 115.1 | R484 K486 R492 | R484-R488 PolarHBondContact O-NE 2.88Å; R484-R488 PolarHBondContact O-NH2 3.47Å; K486-R488 VanDerWaalsContact C-N 3.26Å; K486-R488 PolarHBondContact O-N 3.14Å; K486-R488 VanDerWaalsContact O-N 3.14Å; R488-R492 WeakPolarHBondContact O-CB 3.37Å |
| 489 | R | 79.4 | Confident | 74.1 | Confident | 174 Ų | 174 | 140.8 Ų | 140.8 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.9 | -50.1 | 166.6 | -173 | -173.9 | -65.6 | 113.1 | -8.9 | 109.3 | R485 K486 A487 Q491 R492 | R485-R489 PolarHBondContact O-N 2.84Å; K486-R489 WeakPolarHBondContact O-CA 3.41Å; K486-R489 WeakPolarHBondContact O-CB 3.44Å; K486-R489 PolarHBondContact O-N 2.88Å; A487-R489 VanDerWaalsContact C-N 3.32Å; A487-R489 PolarHBondContact O-N 3.04Å; R489-Q491 PolarHBondContact O-N 3.02Å; R489-R492 PolarHBondContact O-N 3.44Å |
| 490 | D | 71.3 | Confident | 71.9 | Confident | 80 Ų | 80 | 141.4 Ų | 141.4 | 43% | 0.428 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -59.8 | -44.4 | -177.7 | -56.7 | 2.1 | 0 | 0 | 0 | 111.7 | K486 A487 R492 | K486-D490 WeakPolarHBondContact CG-OD2 3.41Å; K486-D490 IonicContact NZ-OD1 3.73Å; K486-D490 IonicContact NZ-OD2 2.65Å; K486-D490 PolarHBondContact NZ-OD2 3.26Å; K486-D490 PolarHBondContact O-N 3.04Å; A487-D490 PolarHBondContact O-N 2.84Å; D490-R492 PolarHBondContact O-N 2.65Å |
| 491 | Q | 63.1 | Low | 69.3 | Low | 171 Ų | 171 | 147.2 Ų | 147.2 | 80% | 0.799 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -7.1 | 175.4 | -73.6 | -176.1 | -30.8 | 0 | 0 | 114.7 | A487 R489 | A487-Q491 VanDerWaalsContact O-CB 3.28Å; A487-Q491 WeakPolarHBondContact O-CB 3.36Å; A487-Q491 WeakPolarHBondContact O-CG 3.28Å; A487-Q491 PolarHBondContact O-N 3.25Å; R489-Q491 PolarHBondContact O-N 3.02Å |
| 492 | R | 64.4 | Low | 67.4 | Low | 220 Ų | 220 | 151.1 Ų | 151.1 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 22.5 | -174.6 | -153.7 | 174.3 | -176 | 175.5 | 1.5 | 112.4 | R488 R489 D490 | R488-R492 WeakPolarHBondContact O-CB 3.37Å; R489-R492 PolarHBondContact O-N 3.44Å; D490-R492 PolarHBondContact O-N 2.65Å |
| 493 | A | 51.1 | Low | 64.7 | Low | 57 Ų | 57 | 146.7 Ų | 146.7 | 47% | 0.471 | 68% | 0.684 | S | S | . | * | trans | -122.3 | 92 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y495 | A493-Y495 PolarHBondContact O-N 3.41Š| ||
| 494 | P | 55.9 | Low | 62.3 | Low | 119 Ų | 119 | 145.1 Ų | 145.1 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -68.9 | -14.1 | 162.3 | -17 | 31.8 | 0 | 0 | 0 | 112.9 | ||
| 495 | Y | 48.3 | Very low | 59.7 | Low | 202 Ų | 202 | 148.6 Ų | 148.6 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -130.9 | 136.9 | 179.1 | -67.4 | -74.9 | 0 | 0 | 0 | 111.3 | A493 W497 | A493-Y495 PolarHBondContact O-N 3.41Å; Y495-W497 PolarHBondContact O-N 3.17Å |
| 496 | Q | 52 | Low | 57.4 | Low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -72.4 | 112.4 | -176.4 | -172.3 | 168.8 | -0.3 | 0 | 0 | 110.9 | L498 | Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 HydrophobicContact CG-CD2 4.49Å; Q496-L498 PolarHBondContact O-N 2.92Å | ||
| 497 | W | 54.3 | Low | 54.7 | Low | 234 Ų | 234 | 149.3 Ų | 149.3 | 89% | 0.886 | 74% | 0.735 | S | S | * | * | trans | -76.5 | 81.7 | 179.5 | -142.9 | 88.9 | 0 | 0 | 0 | 110.4 | Y495 | Y495-W497 PolarHBondContact O-N 3.17Š| ||
| 498 | L | 54.5 | Low | 52.3 | Low | 116 Ų | 116 | 152 Ų | 152 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | trans | -58 | 122.6 | 179.9 | -71.6 | 168.9 | 0 | 0 | 0 | 110.6 | Q496 N500 | Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 HydrophobicContact CG-CD2 4.49Å; Q496-L498 PolarHBondContact O-N 2.92Å; L498-N500 PolarHBondContact O-N 2.56Å | ||
| 499 | P | 52.3 | Low | 49.8 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -79.7 | 32.2 | -172.5 | 34.2 | -37.8 | 0 | 0 | 0 | 113.9 | ||
| 500 | N | 49.8 | Very low | 47.6 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -155.4 | 102.9 | 171.9 | -170.6 | -2.5 | 0 | 0 | 0 | 112.8 | L498 | L498-N500 PolarHBondContact O-N 2.56Š| ||
| 501 | R | 42.6 | Very low | 45.9 | Very low | 229 Ų | 229 | 149.3 Ų | 149.3 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -145.6 | 116.1 | 145.9 | -73.9 | -161.1 | 177.3 | -166.2 | -1.3 | 109.7 | A503 | R501-A503 PolarHBondContact O-N 3.24Š| ||
| 502 | K | 53.7 | Low | 44.4 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | trans | -62 | 110.9 | 157.7 | -79.5 | -179 | 174.1 | 178 | 0 | 107.9 | ||||
| 503 | A | 37.8 | Very low | 42.9 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -102.8 | 79 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | R501 | R501-A503 PolarHBondContact O-N 3.24Š| ||
| 504 | G | 43 | Very low | 42.2 | Very low | 73 Ų | 73 | 145.9 Ų | 145.9 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -83.8 | 132.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 505 | R | 36.9 | Very low | 41.2 | Very low | 248 Ų | 248 | 149.6 Ų | 149.6 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -138.5 | 138.8 | 155.9 | -65.1 | -167.4 | 76.3 | -172.3 | 2 | 108.3 | ||||
| 506 | S | 39.1 | Very low | 40.6 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -85.6 | 171.6 | -162.8 | -44 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 507 | N | 31.9 | Very low | 39.7 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | -167.3 | 102.4 | 117.3 | -92.8 | -4.1 | 0 | 0 | 0 | 113.7 | |||||
| 508 | S | 33.6 | Very low | 38.9 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 30.9 | 105.3 | 143.6 | -47.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 509 | N | 31.6 | Very low | 38.3 | Very low | 164 Ų | 164 | 139 Ų | 139 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | 170.4 | 146.8 | 117.8 | -94.5 | -3.5 | 0 | 0 | 0 | 109.2 | |||||
| 510 | S | 32.8 | Very low | 37.8 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | cis | -147.7 | 170.5 | -1.2 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 511 | S | 35.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | trans | -67.2 | 176.7 | 172.5 | -38.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 512 | M | 31.1 | Very low | 37 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | cis | -162.2 | 148.4 | 14.8 | 38.3 | -89.8 | 137.3 | 0 | 0 | 111.4 | ||||
| 513 | S | 33.7 | Very low | 36.2 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 61.9 | 152.9 | 155.6 | -60.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 514 | S | 36.5 | Very low | 36.2 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | cis | -166 | 166 | -13.9 | 42.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 515 | E | 34.5 | Very low | 36.3 | Very low | 197 Ų | 197 | 138 Ų | 138 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | 69 | 160.2 | 170.8 | -55.8 | -159.4 | 91.2 | 0 | 0 | 119 | ||||
| 516 | G | 35.1 | Very low | 36.4 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 103.2 | 19.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | L518 | G516-L518 PolarHBondContact O-N 3.32Š| ||
| 517 | S | 33.5 | Very low | 36.2 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -76.6 | 84.3 | 177.3 | -170.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 518 | L | 38.3 | Very low | 36.7 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -78.3 | 117 | 167 | -65.9 | 178.7 | 0 | 0 | 0 | 110 | G516 | G516-L518 PolarHBondContact O-N 3.32Š| ||
| 519 | D | 41.5 | Very low | 37 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -73.2 | 127.8 | 177.2 | -165.5 | 53.4 | 0 | 0 | 0 | 110.3 | ||||
| 520 | L | 40.7 | Very low | 37.3 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -135 | 98.3 | 173.2 | -78.6 | -179.6 | 0 | 0 | 0 | 109.3 | ||||
| 521 | D | 41.7 | Very low | 37.7 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -51.3 | 140.3 | 175.3 | -159.3 | -53.6 | 0 | 0 | 0 | 112.3 | D523 | D521-D523 PolarHBondContact OD1-N 2.98Å; D521-D523 VanDerWaalsContact OD1-N 3.08Å | ||
| 522 | F | 34.8 | Very low | 37.8 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -147.2 | 70.4 | 168.2 | -142.2 | -81.2 | 0 | 0 | 0 | 111 | D524 | F522-D524 PolarHBondContact O-N 3.08Š| ||
| 523 | D | 37.2 | Very low | 38.2 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | trans | -45.3 | 115.6 | 174.9 | -178.1 | -121 | 0 | 0 | 0 | 115.1 | D521 S525 | D521-D523 PolarHBondContact OD1-N 2.98Å; D521-D523 VanDerWaalsContact OD1-N 3.08Å; D523-S525 VanDerWaalsContact C-N 3.32Å; D523-S525 PolarHBondContact O-N 3.42Å; D523-S525 WeakPolarHBondContact OD1-CB 3.5Å; D523-S525 PolarHBondContact OD1-OG 2.89Å | ||
| 524 | D | 37.8 | Very low | 38.6 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -89.4 | 64.2 | 171.4 | -169.8 | -123.9 | 0 | 0 | 0 | 110.3 | F522 V526 | F522-D524 PolarHBondContact O-N 3.08Å; D524-V526 PolarHBondContact O-N 3.2Å | ||
| 525 | S | 44.3 | Very low | 39.2 | Very low | 79 Ų | 79 | 140 Ų | 140 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | trans | -67.7 | 96 | -177.5 | -99.6 | 0 | 0 | 0 | 0 | 113.8 | D523 | D523-S525 VanDerWaalsContact C-N 3.32Å; D523-S525 PolarHBondContact O-N 3.42Å; D523-S525 WeakPolarHBondContact OD1-CB 3.5Å; D523-S525 PolarHBondContact OD1-OG 2.89Å | ||
| 526 | V | 38.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | trans | 37.3 | 95.4 | 130.6 | -176.3 | 0 | 0 | 0 | 0 | 116.4 | D524 K528 | D524-V526 PolarHBondContact O-N 3.2Å; V526-K528 HydrophobicContact CG1-CB 4.13Å; V526-K528 HydrophobicContact CG1-CG 3.89Å; V526-K528 PolarHBondContact O-N 3.29Å; V526-K528 VanDerWaalsContact O-N 3.17Å | ||
| 527 | W | 36.1 | Very low | 39.8 | Very low | 254 Ų | 254 | 142.4 Ų | 142.4 | 96% | 0.962 | 76% | 0.76 | S | S | * | * | trans | -80.8 | 86.5 | 155.2 | -82.8 | 84.4 | 0 | 0 | 0 | 111 | P529 | W527-P529 WeakPolarHBondContact O-CD 3.05Š| ||
| 528 | K | 41.8 | Very low | 40.4 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | -78.2 | 125.3 | 164.4 | -106.7 | -174.2 | 174 | -172.6 | 0 | 110.2 | V526 | V526-K528 HydrophobicContact CG1-CB 4.13Å; V526-K528 HydrophobicContact CG1-CG 3.89Å; V526-K528 PolarHBondContact O-N 3.29Å; V526-K528 VanDerWaalsContact O-N 3.17Å | ||
| 529 | P | 41.2 | Very low | 40.5 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -80.8 | 111.9 | 153.1 | 31.4 | -27.3 | 0 | 0 | 0 | 108.3 | W527 V531 | W527-P529 WeakPolarHBondContact O-CD 3.05Å; P529-V531 PolarHBondContact O-N 2.89Å | ||
| 530 | D | 36 | Very low | 40.5 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | trans | -78.9 | 116.8 | 173.9 | -156.9 | -73.3 | 0 | 0 | 0 | 110.3 | ||||
| 531 | V | 41.5 | Very low | 40.3 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -135 | 91.4 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | P529 A533 | P529-V531 PolarHBondContact O-N 2.89Å; V531-A533 PolarHBondContact O-N 2.91Å | ||
| 532 | K | 37.8 | Very low | 40.6 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | trans | -65 | 89.3 | 175.9 | -171.6 | -167.4 | 172.7 | -155 | 0 | 111.4 | D534 | K532-D534 VanDerWaalsContact CE-OD2 3.27Å; K532-D534 WeakPolarHBondContact CE-OD2 3.27Å; K532-D534 IonicContact NZ-OD2 2.79Å; K532-D534 PolarHBondContact NZ-OD2 2.79Å; K532-D534 PolarHBondContact O-N 3.17Å | ||
| 533 | A | 40 | Very low | 40.8 | Very low | 87 Ų | 87 | 144.9 Ų | 144.9 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -74 | 98 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | V531 | V531-A533 PolarHBondContact O-N 2.91Š| ||
| 534 | D | 42 | Very low | 41 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 57% | 0.572 | 80% | 0.795 | S | S | * | * | trans | -80.3 | 144.8 | 175.1 | -148.8 | -34.3 | 0 | 0 | 0 | 110.7 | K532 | K532-D534 VanDerWaalsContact CE-OD2 3.27Å; K532-D534 WeakPolarHBondContact CE-OD2 3.27Å; K532-D534 IonicContact NZ-OD2 2.79Å; K532-D534 PolarHBondContact NZ-OD2 2.79Å; K532-D534 PolarHBondContact O-N 3.17Å | ||
| 535 | L | 49.2 | Very low | 41.2 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -93.5 | 124.1 | -177.8 | -94.6 | 69.3 | 0 | 0 | 0 | 110.8 | ||||
| 536 | K | 36.9 | Very low | 41 | Very low | 185 Ų | 185 | 150 Ų | 150 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -154.6 | 123.7 | 134.5 | -89.1 | 113.6 | -156.1 | 162 | 0 | 109.9 | ||||
| 537 | S | 44.8 | Very low | 41.2 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 92% | 0.923 | 82% | 0.815 | S | S | * | * | trans | -99.3 | 115.7 | 154.8 | -61.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 538 | E | 45.9 | Very low | 41.5 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -119.4 | 135.9 | 171 | -170.4 | 164.3 | -178.7 | 0 | 0 | 108.7 | ||||
| 539 | F | 40.4 | Very low | 41.5 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -103.9 | 113.3 | -170.1 | -131 | -90.6 | 0 | 0 | 0 | 108.3 | ||||
| 540 | V | 41.2 | Very low | 41.5 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -133 | 137.4 | 163 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 541 | M | 37.3 | Very low | 42 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | trans | -122.1 | 117.7 | -177.1 | 179.7 | -165.3 | -54.5 | 0 | 0 | 108.5 | ||||
| 542 | A | 47 | Very low | 42 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 100% | 1.405 | 83% | 0.833 | S | S | * | * | trans | -159.7 | 0 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 542 of 542 residues in 738 ms
(Link to these results)