| 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 | 34.4 | Very low | 30 | Very low | 251 Ų | 251 | 140.1 Ų | 140.1 | 100% | 1.236 | 85% | 0.848 | S | S | * | * | 0 | 162.8 | 0 | -94.3 | 164.5 | 161.3 | 0 | 0 | 109.7 | |||||
| 2 | K | 28.4 | Very low | 30.1 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | trans | -89.1 | 155.3 | -179 | -76 | -179 | 177.1 | 177.9 | 0 | 111.6 | ||||
| 3 | M | 26.8 | Very low | 30.1 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 90% | 0.901 | 84% | 0.84 | S | S | * | * | trans | 47.3 | 146.3 | 139.6 | -62.3 | -62.1 | -152.4 | 0 | 0 | 120.2 | ||||
| 4 | A | 29.4 | Very low | 31 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 84% | 0.842 | S | S | * | * | cis | -162.1 | 163.5 | -11.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | A | 29.7 | Very low | 31.5 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 132 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 6 | G | 28.4 | Very low | 32.3 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 148.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 7 | P | 33.2 | Very low | 33.6 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 142.4 | 177.4 | 31.9 | -34.5 | 0 | 0 | 0 | 112 | S9 | P7-S9 PolarHBondContact O-N 3.27Š|
| 8 | L | 29.1 | Very low | 34.7 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | trans | -77.8 | 101 | 169.4 | -74.9 | 169 | 0 | 0 | 0 | 110 | V10 | L8-V10 PolarHBondContact O-N 3.02Š| ||
| 9 | S | 28.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -74 | 108.2 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | P7 S11 | P7-S9 PolarHBondContact O-N 3.27Å; S9-S11 PolarHBondContact O-N 3.24Å | ||
| 10 | V | 32.6 | Very low | 37.6 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -73.4 | 110.5 | 167.7 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | L8 S12 | L8-V10 PolarHBondContact O-N 3.02Å; V10-S12 PolarHBondContact O-N 3.41Å | ||
| 11 | S | 29.2 | Very low | 38.8 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -67.7 | 116.8 | -178.8 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | S9 N13 | S9-S11 PolarHBondContact O-N 3.24Å; S11-N13 PolarHBondContact O-N 3.28Å | ||
| 12 | S | 31.8 | Very low | 40.6 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -77.2 | 102.9 | 174.8 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | V10 A14 | V10-S12 PolarHBondContact O-N 3.41Å; S12-A14 PolarHBondContact O-N 3.29Å | ||
| 13 | N | 30.2 | Very low | 42.9 | Very low | 154 Ų | 154 | 115.1 Ų | 115.1 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -70.4 | 96.7 | 167.1 | -84.3 | -3 | 0 | 0 | 0 | 109.8 | S11 S15 | S11-N13 PolarHBondContact O-N 3.28Å; N13-S15 PolarHBondContact O-N 3.26Å | ||
| 14 | A | 42.3 | Very low | 45.2 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | trans | -83.1 | 101.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S12 | S12-A14 PolarHBondContact O-N 3.29Š| ||
| 15 | S | 39.3 | Very low | 46.6 | Very low | 97 Ų | 97 | 116.9 Ų | 116.9 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | -137.7 | 104.9 | 176.3 | 57 | 0 | 0 | 0 | 0 | 111.3 | N13 | N13-S15 PolarHBondContact O-N 3.26Š| ||
| 16 | N | 43.2 | Very low | 48.2 | Very low | 158 Ų | 158 | 116.6 Ų | 116.6 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | 35.1 | 85.2 | 165.8 | -61 | 3.3 | 0 | 0 | 0 | 116.8 | D18 | N16-D18 VanDerWaalsContact C-N 3.32Å; N16-D18 PolarHBondContact O-N 3.47Å | ||
| 17 | N | 54.7 | Low | 49.8 | Very low | 123 Ų | 123 | 119 Ų | 119 | 66% | 0.658 | 70% | 0.698 | S | S | * | * | trans | -91 | 49.6 | -176.5 | -162.5 | -4.5 | 0 | 0 | 0 | 113 | G19 | N17-G19 PolarHBondContact O-N 2.97Š| ||
| 18 | D | 54.5 | Low | 51.1 | Low | 156 Ų | 156 | 117 Ų | 117 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | trans | -81.1 | 99.5 | 178.1 | -76.9 | -37 | 0 | 0 | 0 | 110.8 | N16 | N16-D18 VanDerWaalsContact C-N 3.32Å; N16-D18 PolarHBondContact O-N 3.47Å | ||
| 19 | G | 61.5 | Low | 52.5 | Low | 14 Ų | 14 | 114 Ų | 114 | 14% | 0.144 | 67% | 0.668 | C | S | . | * | trans | -64.6 | 156.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N17 L21 Y27 | N17-G19 PolarHBondContact O-N 2.97Å; G19-L21 PolarHBondContact O-N 3.29Å; G19-L21 VanDerWaalsContact O-N 3.15Å; G19-Y27 CarbonylContact C-O 3.57Å; G19-Y27 WeakPolarHBondContact CA-O 3.26Å | ||
| 20 | I | 65.7 | Low | 53.8 | Low | 116 Ų | 116 | 114.8 Ų | 114.8 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.7 | 110.8 | -178.1 | -54.2 | 174.3 | 0 | 0 | 0 | 110 | I22 Y27 | I20-I22 HydrophobicContact CG2-CD1 4.33Å; I20-I22 HydrophobicContact CG2-CG1 3.96Å; I20-I22 PolarHBondContact O-N 2.98Å; I20-Y27 PolarHBondContact N-O 3.03Å; I20-Y27 WeakPolarHBondContact O-CB 3.36Å; I20-Y27 PolarHBondContact O-N 3.33Å |
| 21 | L | 62.8 | Low | 55 | Low | 119 Ų | 119 | 116.3 Ų | 116.3 | 62% | 0.623 | 66% | 0.66 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 120.3 | 171.7 | -90 | 155.2 | 0 | 0 | 0 | 111.2 | G19 G23 K25 V26 | G19-L21 PolarHBondContact O-N 3.29Å; G19-L21 VanDerWaalsContact O-N 3.15Å; L21-G23 WeakPolarHBondContact CD2-O 3.36Å; L21-K25 WeakPolarHBondContact CA-O 3.49Å; L21-V26 HydrophobicContact CD2-CG2 3.83Å; L21-V26 HydrophobicContact CG-CG2 3.99Å |
| 22 | I | 72 | Confident | 56.4 | Low | 109 Ų | 109 | 118 Ų | 118 | 56% | 0.559 | 66% | 0.66 | S | S | * | * | trans | -125.3 | 93.2 | 173.9 | -52.3 | 179 | 0 | 0 | 0 | 108.2 | I20 K25 Y27 | I20-I22 HydrophobicContact CG2-CD1 4.33Å; I20-I22 HydrophobicContact CG2-CG1 3.96Å; I20-I22 PolarHBondContact O-N 2.98Å; I22-K25 PolarHBondContact N-O 3.38Å; I22-Y27 HydrophobicContact CB-CD2 3.83Å; I22-Y27 HydrophobicContact CB-CE2 3.76Å; I22-Y27 HydrophobicContact CD1-CD2 4.04Å; I22-Y27 HydrophobicContact CD1-CE2 4.41Å; I22-Y27 HydrophobicContact CD1-CG 4.42Å; I22-Y27 HydrophobicContact CG1-CD2 3.93Å; I22-Y27 HydrophobicContact CG1-CE2 4.32Å | ||
| 23 | G | 77.1 | Confident | 57.8 | Low | 61 Ų | 61 | 117 Ų | 117 | 63% | 0.629 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 66.1 | -147.2 | -162.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L21 K25 | L21-G23 WeakPolarHBondContact CD2-O 3.36Å; G23-K25 PolarHBondContact O-N 3.2Å |
| 24 | D | 75.4 | Confident | 59.5 | Low | 172 Ų | 172 | 115.5 Ų | 115.5 | 92% | 0.92 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -73.1 | 22.1 | -175.7 | -36.4 | -42.6 | 0 | 0 | 0 | 114 | ||
| 25 | K | 57.6 | Low | 60.7 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 60% | 0.596 | 62% | 0.624 | S | S | * | * | trans | -136.7 | 121.3 | -171.7 | -66.1 | -167.2 | 178.4 | -166.2 | 0 | 112.1 | L21 I22 G23 Y27 | L21-K25 WeakPolarHBondContact CA-O 3.49Å; I22-K25 PolarHBondContact N-O 3.38Å; G23-K25 PolarHBondContact O-N 3.2Å; K25-Y27 HydrophobicContact CB-CD2 4.28Å; K25-Y27 HydrophobicContact CB-CE2 3.7Å; K25-Y27 VanDerWaalsContact O-CD2 3.3Å; K25-Y27 WeakPolarHBondContact O-CD2 3.48Å | ||
| 26 | V | 63.9 | Low | 62.3 | Low | 97 Ų | 97 | 111.2 Ų | 111.2 | 59% | 0.588 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.3 | 122.6 | 167.4 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | L21 | L21-V26 HydrophobicContact CD2-CG2 3.83Å; L21-V26 HydrophobicContact CG-CG2 3.99Å |
| 27 | Y | 60.7 | Low | 63.9 | Low | 119 Ų | 119 | 106.5 Ų | 106.5 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 104.2 | 169.5 | -70.5 | -99.6 | 0 | 0 | 0 | 108.4 | G19 I20 I22 K25 | G19-Y27 CarbonylContact C-O 3.57Å; G19-Y27 WeakPolarHBondContact CA-O 3.26Å; I20-Y27 PolarHBondContact N-O 3.03Å; I20-Y27 WeakPolarHBondContact O-CB 3.36Å; I20-Y27 PolarHBondContact O-N 3.33Å; I22-Y27 HydrophobicContact CB-CD2 3.83Å; I22-Y27 HydrophobicContact CB-CE2 3.76Å; I22-Y27 HydrophobicContact CD1-CD2 4.04Å; I22-Y27 HydrophobicContact CD1-CE2 4.41Å; I22-Y27 HydrophobicContact CD1-CG 4.42Å; I22-Y27 HydrophobicContact CG1-CD2 3.93Å; I22-Y27 HydrophobicContact CG1-CE2 4.32Å; K25-Y27 HydrophobicContact CB-CD2 4.28Å; K25-Y27 HydrophobicContact CB-CE2 3.7Å; K25-Y27 VanDerWaalsContact O-CD2 3.3Å; K25-Y27 WeakPolarHBondContact O-CD2 3.48Å |
| 28 | S | 62.2 | Low | 65.2 | Low | 86 Ų | 86 | 102.9 Ų | 102.9 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | trans | -58.5 | 160.3 | 167.6 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | E | 57.3 | Low | 66.6 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | trans | -52.3 | 140.5 | -170 | -55.4 | 177 | 112 | 0 | 0 | 113.4 | Y31 | E29-Y31 HydrophobicContact CB-CD2 4.07Å; E29-Y31 HydrophobicContact CB-CE2 3.65Å; E29-Y31 HydrophobicContact CG-CE2 4.46Å; E29-Y31 WeakPolarHBondContact O-CD2 3.42Å; E29-Y31 PolarHBondContact O-N 2.9Å; E29-Y31 WeakPolarHBondContact OE2-CE2 3.43Å; E29-Y31 VanDerWaalsContact OE2-CZ 3.29Å; E29-Y31 PolarHBondContact OE2-OH 3.36Å | ||
| 30 | V | 56.3 | Low | 67.6 | Low | 121 Ų | 121 | 99.3 Ų | 99.3 | 73% | 0.733 | 54% | 0.538 | S | S | * | . | trans | -84.5 | 80.4 | -176.7 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | L32 | V30-L32 HydrophobicContact CG1-CD2 4.12Å; V30-L32 HydrophobicContact CG1-CG 4.21Å; V30-L32 PolarHBondContact O-N 2.75Å | ||
| 31 | Y | 56.7 | Low | 68.3 | Low | 173 Ų | 173 | 100.3 Ų | 100.3 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | trans | -65.9 | 92.8 | 173.2 | -74.1 | -85.7 | 0 | 0 | 0 | 111.5 | E29 T33 | E29-Y31 HydrophobicContact CB-CD2 4.07Å; E29-Y31 HydrophobicContact CB-CE2 3.65Å; E29-Y31 HydrophobicContact CG-CE2 4.46Å; E29-Y31 WeakPolarHBondContact O-CD2 3.42Å; E29-Y31 PolarHBondContact O-N 2.9Å; E29-Y31 WeakPolarHBondContact OE2-CE2 3.43Å; E29-Y31 VanDerWaalsContact OE2-CZ 3.29Å; E29-Y31 PolarHBondContact OE2-OH 3.36Å; Y31-T33 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 3.2Å | ||
| 32 | L | 58.7 | Low | 69.1 | Low | 139 Ų | 139 | 102.7 Ų | 102.7 | 73% | 0.728 | 55% | 0.548 | S | S | * | . | trans | -80.2 | 69.8 | 172.3 | -67.1 | 178.2 | 0 | 0 | 0 | 111.2 | V30 | V30-L32 HydrophobicContact CG1-CD2 4.12Å; V30-L32 HydrophobicContact CG1-CG 4.21Å; V30-L32 PolarHBondContact O-N 2.75Å | ||
| 33 | T | 62 | Low | 69.5 | Low | 87 Ų | 87 | 105.7 Ų | 105.7 | 53% | 0.534 | 55% | 0.552 | S | S | . | * | trans | -76.7 | 152.8 | 170.5 | 84.4 | 0 | 0 | 0 | 0 | 111 | Y31 D35 | Y31-T33 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 3.2Å; T33-D35 WeakPolarHBondContact CB-OD2 3.45Å; T33-D35 PolarHBondContact O-N 2.61Å; T33-D35 WeakPolarHBondContact OG1-CB 3.45Å; T33-D35 PolarHBondContact OG1-N 3.1Å; T33-D35 PolarHBondContact OG1-OD2 3.43Å | ||
| 34 | I | 64.8 | Low | 69.9 | Low | 124 Ų | 124 | 103.8 Ų | 103.8 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | trans | -88.2 | 27 | 179.1 | -48.4 | 167.4 | 0 | 0 | 0 | 109.6 | K179 | I34-K179 WeakPolarHBondContact O-CE 3.43Å; I34-K179 PolarHBondContact O-NZ 3.34Å | ||
| 35 | D | 67.9 | Low | 70.4 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | trans | -83.9 | 156.3 | -173.3 | -63.8 | -48.6 | 0 | 0 | 0 | 113.3 | T33 S37 K179 | T33-D35 WeakPolarHBondContact CB-OD2 3.45Å; T33-D35 PolarHBondContact O-N 2.61Å; T33-D35 WeakPolarHBondContact OG1-CB 3.45Å; T33-D35 PolarHBondContact OG1-N 3.1Å; T33-D35 PolarHBondContact OG1-OD2 3.43Å; D35-S37 PolarHBondContact O-N 3.15Å; D35-K179 IonicContact OD1-NZ 3.24Å; D35-K179 PolarHBondContact OD1-NZ 3.21Å; D35-K179 VanDerWaalsContact OD1-NZ 3.1Å | ||
| 36 | N | 73.9 | Confident | 71.9 | Confident | 12 Ų | 12 | 96.4 Ų | 96.4 | 6% | 0.064 | 51% | 0.505 | C | S | . | . | trans | -75.5 | 104.7 | -178.4 | -178.8 | 52.9 | 0 | 0 | 0 | 109.2 | V38 R93 K179 Q221 | N36-V38 PolarHBondContact O-N 3.36Å; N36-R93 PolarHBondContact OD1-NH2 3.16Å; N36-K179 HydrophobicContact CB-CB 4.38Å; N36-K179 HydrophobicContact CB-CD 4.31Å; N36-K179 HydrophobicContact CB-CG 4.44Å; N36-Q221 PolarHBondContact ND2-OE1 3.22Å | ||
| 37 | S | 75.9 | Confident | 73.3 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | trans | -63 | 101.5 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | D35 R93 | D35-S37 PolarHBondContact O-N 3.15Å; S37-R93 PolarHBondContact O-NE 3.06Å; S37-R93 VanDerWaalsContact O-NE 3.1Å; S37-R93 PolarHBondContact O-NH2 2.81Å | ||
| 38 | V | 83.4 | Confident | 74.8 | Confident | 47 Ų | 47 | 87.7 Ų | 87.7 | 29% | 0.285 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 149.2 | 166.1 | 169.7 | 0 | 0 | 0 | 0 | 108.9 | N36 R219 | N36-V38 PolarHBondContact O-N 3.36Å; V38-R219 WeakPolarHBondContact CG1-O 3.33Å |
| 39 | I | 83.3 | Confident | 76.3 | Confident | 19 Ų | 19 | 83.6 Ų | 83.6 | 10% | 0.097 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 124.7 | 179.4 | -60 | -177.7 | 0 | 0 | 0 | 108.7 | R43 L44 Y96 V218 | I39-R43 HydrophobicContact CG2-CB 3.82Å; I39-L44 HydrophobicContact CB-CD2 4.27Å; I39-L44 HydrophobicContact CG2-CD2 4.08Å; I39-Y96 VanDerWaalsContact CD1-CB 3.43Å; I39-Y96 HydrophobicContact CD1-CD2 3.83Å; I39-Y96 HydrophobicContact CD1-CG 3.79Å; I39-V218 WeakPolarHBondContact CB-O 3.34Å; I39-V218 HydrophobicContact CD1-CB 3.78Å; I39-V218 HydrophobicContact CD1-CG1 4.36Å; I39-V218 HydrophobicContact CD1-CG2 4.02Å; I39-V218 HydrophobicContact CG1-CB 4.06Å; I39-V218 PolarHBondContact N-O 2.9Å |
| 40 | P | 81.4 | Confident | 78.1 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 49% | 0.494 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 143 | 176.2 | -26.3 | 34.7 | 0 | 0 | 0 | 112.1 | E42 R43 | P40-E42 PolarHBondContact O-N 3.05Å; P40-R43 PolarHBondContact O-N 3.06Å |
| 41 | E | 80.2 | Confident | 79.8 | Confident | 137 Ų | 137 | 81.7 Ų | 81.7 | 64% | 0.64 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -60.4 | -34.5 | -170.8 | -58.9 | -153.5 | 118.9 | 0 | 0 | 113.2 | R43 L44 R219 | E41-R43 PolarHBondContact O-N 3.32Å; E41-L44 HydrophobicContact CB-CD1 4.24Å; E41-L44 HydrophobicContact CG-CD1 4.24Å; E41-L44 VanDerWaalsContact O-CB 3.32Å; E41-L44 WeakPolarHBondContact O-CB 3.46Å; E41-L44 PolarHBondContact O-N 3.37Å; E41-R219 IonicContact OE1-NH2 3.25Å; E41-R219 PolarHBondContact OE1-NH2 3.41Å |
| 42 | E | 81.3 | Confident | 81.6 | Confident | 170 Ų | 170 | 74.5 Ų | 74.5 | 79% | 0.794 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -50.3 | -26.8 | 170.6 | -58.2 | 173.5 | 178.7 | 0 | 0 | 114.3 | P40 | P40-E42 PolarHBondContact O-N 3.05Š|
| 43 | R | 80.8 | Confident | 83.1 | Confident | 171 Ų | 171 | 69.8 Ų | 69.8 | 65% | 0.645 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -100.7 | -0.3 | -179.9 | -64.6 | -168.8 | 179.6 | -176.4 | 4.1 | 113.7 | I39 P40 E41 | I39-R43 HydrophobicContact CG2-CB 3.82Å; P40-R43 PolarHBondContact O-N 3.06Å; E41-R43 PolarHBondContact O-N 3.32Å |
| 44 | L | 84.2 | Confident | 84.6 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -29.8 | 170.5 | -56.9 | 175 | 0 | 0 | 0 | 111.3 | I39 E41 T47 Y96 R219 | I39-L44 HydrophobicContact CB-CD2 4.27Å; I39-L44 HydrophobicContact CG2-CD2 4.08Å; E41-L44 HydrophobicContact CB-CD1 4.24Å; E41-L44 HydrophobicContact CG-CD1 4.24Å; E41-L44 VanDerWaalsContact O-CB 3.32Å; E41-L44 WeakPolarHBondContact O-CB 3.46Å; E41-L44 PolarHBondContact O-N 3.37Å; L44-T47 WeakPolarHBondContact O-CG2 3.35Å; L44-Y96 HydrophobicContact CD2-CD1 4.32Å; L44-Y96 HydrophobicContact CD2-CE1 3.97Å; L44-R219 HydrophobicContact CD1-CG 3.72Å; L44-R219 VanDerWaalsContact CD1-NE 3.33Å; L44-R219 HydrophobicContact CD2-CG 3.85Å; L44-R219 HydrophobicContact CG-CG 4.46Å |
| 45 | S | 86.7 | Confident | 85.9 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 56% | 0.559 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -153.3 | 130.4 | 176.1 | 56 | 0 | 0 | 0 | 0 | 112.1 | ||
| 46 | P | 88.2 | Confident | 87 | Confident | 74 Ų | 74 | 62.9 Ų | 62.9 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | S | Bend | cis | -75.6 | 138 | -2.1 | 31.2 | -34.8 | 0 | 0 | 0 | 112.1 | M50 L51 | P46-M50 HydrophobicContact CB-CB 4.42Å; P46-L51 HydrophobicContact CB-CD2 4.15Å; P46-L51 HydrophobicContact CB-CG 4.31Å; P46-L51 HydrophobicContact CG-CD2 3.98Å; P46-L51 HydrophobicContact CG-CG 4.36Å |
| 47 | T | 93.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | trans | -70.2 | 160.1 | 176.2 | 75 | 0 | 0 | 0 | 0 | 111.3 | L44 S49 M50 L51 E59 Y96 | L44-T47 WeakPolarHBondContact O-CG2 3.35Å; T47-S49 PolarHBondContact O-N 3.47Å; T47-S49 VanDerWaalsContact O-N 3.11Å; T47-S49 PolarHBondContact OG1-N 2.84Å; T47-M50 HydrophobicContact CG2-SD 4.02Å; T47-M50 PolarHBondContact O-N 3.16Å; T47-M50 VanDerWaalsContact O-N 3.13Å; T47-M50 WeakPolarHBondContact OG1-CG 3.43Å; T47-M50 PolarHBondContact OG1-N 2.89Å; T47-L51 WeakPolarHBondContact O-CG 3.41Å; T47-L51 PolarHBondContact O-N 3.35Å; T47-E59 WeakPolarHBondContact CB-OE2 3.3Å; T47-E59 WeakPolarHBondContact CG2-OE2 3.45Å; T47-E59 PolarHBondContact OG1-OE1 2.93Å; T47-E59 PolarHBondContact OG1-OE2 3.05Å; T47-Y96 HydrophobicContact CG2-CD1 4.44Å; T47-Y96 HydrophobicContact CG2-CE1 4.11Å | ||
| 48 | P | 93.6 | Very high | 88.7 | Confident | 31 Ų | 31 | 65 Ų | 65 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23 | 170.3 | -26.5 | 36.6 | 0 | 0 | 0 | 114.2 | D52 Y96 S99 | P48-D52 PolarHBondContact O-N 3.41Å; P48-Y96 VanDerWaalsContact CD-O 3.28Å; P48-Y96 WeakPolarHBondContact CD-O 3.25Å; P48-Y96 VanDerWaalsContact CG-O 3.23Å; P48-Y96 WeakPolarHBondContact CG-O 3.29Å; P48-S99 WeakPolarHBondContact O-CB 3.39Å |
| 49 | S | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -39.8 | 176.2 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | T47 L51 D52 G53 L54 E59 F100 | T47-S49 PolarHBondContact O-N 3.47Å; T47-S49 VanDerWaalsContact O-N 3.11Å; T47-S49 PolarHBondContact OG1-N 2.84Å; S49-L51 VanDerWaalsContact C-N 3.31Å; S49-L51 PolarHBondContact O-N 3.33Å; S49-D52 CarbonylContact O-C 3.6Å; S49-D52 WeakPolarHBondContact O-CA 3.47Å; S49-D52 PolarHBondContact O-N 3.01Å; S49-G53 PolarHBondContact O-N 2.84Å; S49-L54 VanDerWaalsContact O-CB 3.28Å; S49-L54 WeakPolarHBondContact O-CB 3.43Å; S49-L54 PolarHBondContact O-N 3.27Å; S49-E59 WeakPolarHBondContact CB-OE2 3.35Å; S49-E59 PolarHBondContact OG-OE1 3.11Å; S49-E59 VanDerWaalsContact OG-OE1 3.11Å; S49-F100 WeakPolarHBondContact OG-CD2 3.34Å; S49-F100 PolarHBondContact OG-N 3.07Å |
| 50 | M | 93.7 | Very high | 89.7 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -62.3 | -38 | 172.1 | -68.8 | 170.2 | 68.7 | 0 | 0 | 111.9 | P46 T47 D52 G53 L54 L56 | P46-M50 HydrophobicContact CB-CB 4.42Å; T47-M50 HydrophobicContact CG2-SD 4.02Å; T47-M50 PolarHBondContact O-N 3.16Å; T47-M50 VanDerWaalsContact O-N 3.13Å; T47-M50 WeakPolarHBondContact OG1-CG 3.43Å; T47-M50 PolarHBondContact OG1-N 2.89Å; M50-D52 PolarHBondContact O-N 3.49Å; M50-G53 WeakPolarHBondContact O-CA 3.45Å; M50-G53 PolarHBondContact O-N 3.06Å; M50-L54 WeakPolarHBondContact CA-O 3.15Å; M50-L56 HydrophobicContact SD-CD1 4.26Å |
| 51 | L | 93 | Very high | 90.3 | Very high | 125 Ų | 125 | 61.5 Ų | 61.5 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -66.4 | -19.9 | 172.8 | -65.4 | 175.5 | 0 | 0 | 0 | 113.5 | P46 T47 S49 G53 | P46-L51 HydrophobicContact CB-CD2 4.15Å; P46-L51 HydrophobicContact CB-CG 4.31Å; P46-L51 HydrophobicContact CG-CD2 3.98Å; P46-L51 HydrophobicContact CG-CG 4.36Å; T47-L51 WeakPolarHBondContact O-CG 3.41Å; T47-L51 PolarHBondContact O-N 3.35Å; S49-L51 VanDerWaalsContact C-N 3.31Å; S49-L51 PolarHBondContact O-N 3.33Å; L51-G53 VanDerWaalsContact C-N 3.31Å |
| 52 | D | 92.9 | Very high | 91 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -94.3 | 14.5 | 168.2 | -71 | -25.2 | 0 | 0 | 0 | 112.8 | P48 S49 M50 S99 V101 K102 L290 | P48-D52 PolarHBondContact O-N 3.41Å; S49-D52 CarbonylContact O-C 3.6Å; S49-D52 WeakPolarHBondContact O-CA 3.47Å; S49-D52 PolarHBondContact O-N 3.01Å; M50-D52 PolarHBondContact O-N 3.49Å; D52-S99 WeakPolarHBondContact OD2-CB 3.36Å; D52-S99 PolarHBondContact OD2-OG 3.1Å; D52-V101 HydrophobicContact CB-CB 3.95Å; D52-V101 HydrophobicContact CB-CG1 4.44Å; D52-V101 HydrophobicContact CB-CG2 3.87Å; D52-K102 VanDerWaalsContact OD1-CE 3.26Å; D52-K102 WeakPolarHBondContact OD1-CE 3.43Å; D52-K102 IonicContact OD1-NZ 3.25Å; D52-K102 PolarHBondContact OD1-NZ 3.48Å; D52-K102 VanDerWaalsContact OD2-CD 3.29Å; D52-K102 WeakPolarHBondContact OD2-CD 3.37Å; D52-K102 WeakPolarHBondContact OD2-CE 3.44Å; D52-K102 WeakPolarHBondContact OD2-CG 2.96Å; D52-K102 IonicContact OD2-NZ 3.84Å; D52-K102 PolarHBondContact OD2-NZ 3.39Å; D52-L290 HydrophobicContact CB-CD1 3.63Å; D52-L290 WeakPolarHBondContact OD1-CD1 3.45Å |
| 53 | G | 90.9 | Very high | 91.7 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S49 M50 L51 R286 | S49-G53 PolarHBondContact O-N 2.84Å; M50-G53 WeakPolarHBondContact O-CA 3.45Å; M50-G53 PolarHBondContact O-N 3.06Å; L51-G53 VanDerWaalsContact C-N 3.31Å; G53-R286 PolarHBondContact O-NE 2.97Å; G53-R286 VanDerWaalsContact O-NE 3.16Å; G53-R286 PolarHBondContact O-NH1 3.08Å; G53-R286 PolarHBondContact O-NH2 3.32Å |
| 54 | L | 92.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -71.8 | 139.6 | 178.1 | -159.3 | 69.1 | 0 | 0 | 0 | 110.9 | S49 M50 T58 E59 L62 F100 V101 V283 R286 | S49-L54 VanDerWaalsContact O-CB 3.28Å; S49-L54 WeakPolarHBondContact O-CB 3.43Å; S49-L54 PolarHBondContact O-N 3.27Å; M50-L54 WeakPolarHBondContact CA-O 3.15Å; L54-T58 HydrophobicContact CD1-CG2 3.72Å; L54-T58 HydrophobicContact CD2-CG2 4.33Å; L54-T58 HydrophobicContact CG-CG2 4.05Å; L54-E59 HydrophobicContact CD2-CB 4.23Å; L54-L62 HydrophobicContact CD2-CD1 3.89Å; L54-F100 HydrophobicContact CD2-CB 4.01Å; L54-V101 HydrophobicContact CB-CG2 4.19Å; L54-V101 HydrophobicContact CD1-CG2 4.41Å; L54-V283 HydrophobicContact CD1-CG2 4.44Å; L54-R286 HydrophobicContact CD1-CG 4.19Å | ||
| 55 | D | 93.2 | Very high | 92.8 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | trans | -80.2 | 154.6 | 177.8 | 71 | -83.6 | 0 | 0 | 0 | 112.3 | N57 T58 E59 | D55-N57 VanDerWaalsContact C-N 3.27Å; D55-N57 PolarHBondContact O-N 3Å; D55-N57 WeakPolarHBondContact OD2-CB 3.33Å; D55-N57 PolarHBondContact OD2-N 3.23Å; D55-N57 VanDerWaalsContact OD2-N 3.09Å; D55-T58 VanDerWaalsContact CG-OG1 3.27Å; D55-T58 PolarHBondContact O-N 2.96Å; D55-T58 WeakPolarHBondContact OD1-CB 3.3Å; D55-T58 PolarHBondContact OD1-OG1 3.49Å; D55-T58 PolarHBondContact OD2-N 2.7Å; D55-T58 PolarHBondContact OD2-OG1 3.39Å; D55-E59 PolarHBondContact O-N 3.06Å | ||
| 56 | L | 91.1 | Very high | 93.3 | Very high | 99 Ų | 99 | 35.5 Ų | 35.5 | 52% | 0.518 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -27.7 | -175.3 | -177.3 | 61.8 | 0 | 0 | 0 | 113.4 | M50 T60 | M50-L56 HydrophobicContact SD-CD1 4.26Å; L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.41Å; L56-T60 PolarHBondContact O-N 3.18Å; L56-T60 PolarHBondContact O-OG1 3Å |
| 57 | N | 92 | Very high | 93.6 | Very high | 95 Ų | 95 | 32 Ų | 32 | 51% | 0.508 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -76.4 | -48.5 | 178.7 | -83.7 | -54.8 | 0 | 0 | 0 | 111 | D55 E59 T60 D61 R271 | D55-N57 VanDerWaalsContact C-N 3.27Å; D55-N57 PolarHBondContact O-N 3Å; D55-N57 WeakPolarHBondContact OD2-CB 3.33Å; D55-N57 PolarHBondContact OD2-N 3.23Å; D55-N57 VanDerWaalsContact OD2-N 3.09Å; N57-E59 VanDerWaalsContact C-N 3.28Å; N57-E59 PolarHBondContact O-N 3.37Å; N57-T60 PolarHBondContact O-N 2.99Å; N57-T60 VanDerWaalsContact O-N 3.12Å; N57-D61 PolarHBondContact O-N 3.42Å; N57-R271 PolarHBondContact O-NH2 3.42Å; N57-R271 PolarHBondContact OD1-NH1 2.92Å; N57-R271 PolarHBondContact OD1-NH2 2.95Å |
| 58 | T | 92.9 | Very high | 93.7 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.9 | -43.1 | 172.1 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | L54 D55 D61 L62 L279 E282 | L54-T58 HydrophobicContact CD1-CG2 3.72Å; L54-T58 HydrophobicContact CD2-CG2 4.33Å; L54-T58 HydrophobicContact CG-CG2 4.05Å; D55-T58 VanDerWaalsContact CG-OG1 3.27Å; D55-T58 PolarHBondContact O-N 2.96Å; D55-T58 WeakPolarHBondContact OD1-CB 3.3Å; D55-T58 PolarHBondContact OD1-OG1 3.49Å; D55-T58 PolarHBondContact OD2-N 2.7Å; D55-T58 PolarHBondContact OD2-OG1 3.39Å; T58-D61 PolarHBondContact O-N 3.43Å; T58-L62 HydrophobicContact CG2-CD1 4Å; T58-L62 WeakPolarHBondContact O-CB 3.48Å; T58-L62 WeakPolarHBondContact O-CD1 3.43Å; T58-L62 VanDerWaalsContact O-CG 3.23Å; T58-L62 WeakPolarHBondContact O-CG 3.46Å; T58-L62 PolarHBondContact O-N 3.06Å; T58-L279 HydrophobicContact CG2-CD2 3.82Å; T58-E282 HydrophobicContact CG2-CG 4.25Å |
| 59 | E | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 174.1 | 178.5 | 165 | -161 | 0 | 0 | 112.7 | T47 S49 L54 D55 N57 D61 L62 R63 F100 | T47-E59 WeakPolarHBondContact CB-OE2 3.3Å; T47-E59 WeakPolarHBondContact CG2-OE2 3.45Å; T47-E59 PolarHBondContact OG1-OE1 2.93Å; T47-E59 PolarHBondContact OG1-OE2 3.05Å; S49-E59 WeakPolarHBondContact CB-OE2 3.35Å; S49-E59 PolarHBondContact OG-OE1 3.11Å; S49-E59 VanDerWaalsContact OG-OE1 3.11Å; L54-E59 HydrophobicContact CD2-CB 4.23Å; D55-E59 PolarHBondContact O-N 3.06Å; N57-E59 VanDerWaalsContact C-N 3.28Å; N57-E59 PolarHBondContact O-N 3.37Å; E59-D61 VanDerWaalsContact C-N 3.31Å; E59-D61 PolarHBondContact O-N 3.49Å; E59-L62 PolarHBondContact O-N 3.22Å; E59-R63 WeakPolarHBondContact O-CG 3.36Å; E59-R63 PolarHBondContact O-N 3.23Å; E59-R63 IonicContact OE1-CZ 3.19Å; E59-R63 IonicContact OE1-NE 2.62Å; E59-R63 PolarHBondContact OE1-NE 3.39Å; E59-R63 IonicContact OE1-NH2 2.92Å; E59-R63 PolarHBondContact OE1-NH2 3.38Å; E59-F100 HydrophobicContact CG-CD2 3.96Å; E59-F100 HydrophobicContact CG-CE2 3.83Å |
| 60 | T | 93.7 | Very high | 94 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 26% | 0.264 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.7 | -43 | 177.9 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | L56 N57 R63 I64 | L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.41Å; L56-T60 PolarHBondContact O-N 3.18Å; L56-T60 PolarHBondContact O-OG1 3Å; N57-T60 PolarHBondContact O-N 2.99Å; N57-T60 VanDerWaalsContact O-N 3.12Å; T60-R63 WeakPolarHBondContact O-CB 3.34Å; T60-R63 PolarHBondContact O-N 2.88Å; T60-I64 HydrophobicContact CG2-CD1 3.95Å; T60-I64 WeakPolarHBondContact O-CG1 3.36Å; T60-I64 PolarHBondContact O-N 3.45Å |
| 61 | D | 94.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 32.5 Ų | 32.5 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.3 | -35.4 | 179.3 | -71.1 | -32.6 | 0 | 0 | 0 | 112.6 | N57 T58 E59 R63 L65 R271 P274 L279 | N57-D61 PolarHBondContact O-N 3.42Å; T58-D61 PolarHBondContact O-N 3.43Å; E59-D61 VanDerWaalsContact C-N 3.31Å; E59-D61 PolarHBondContact O-N 3.49Å; D61-R63 VanDerWaalsContact C-N 3.34Å; D61-L65 WeakPolarHBondContact O-CB 3.35Å; D61-L65 PolarHBondContact O-N 3Å; D61-R271 IonicContact OD1-CZ 2.79Å; D61-R271 VanDerWaalsContact OD1-CZ 3.24Å; D61-R271 IonicContact OD1-NE 3.49Å; D61-R271 PolarHBondContact OD1-NE 3.16Å; D61-R271 IonicContact OD1-NH2 3.56Å; D61-R271 PolarHBondContact OD1-NH2 3.28Å; D61-R271 IonicContact OD2-CZ 3.37Å; D61-R271 IonicContact OD2-NH2 3.18Å; D61-R271 PolarHBondContact OD2-NH2 2.61Å; D61-P274 HydrophobicContact CB-CB 3.9Å; D61-L279 HydrophobicContact CB-CD1 4Å; D61-L279 HydrophobicContact CB-CD2 4.15Å |
| 62 | L | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -35.9 | 169.9 | -74.6 | 163.8 | 0 | 0 | 0 | 112.5 | L54 T58 E59 G66 F100 F105 L279 V283 | L54-L62 HydrophobicContact CD2-CD1 3.89Å; T58-L62 HydrophobicContact CG2-CD1 4Å; T58-L62 WeakPolarHBondContact O-CB 3.48Å; T58-L62 WeakPolarHBondContact O-CD1 3.43Å; T58-L62 VanDerWaalsContact O-CG 3.23Å; T58-L62 WeakPolarHBondContact O-CG 3.46Å; T58-L62 PolarHBondContact O-N 3.06Å; E59-L62 PolarHBondContact O-N 3.22Å; L62-G66 PolarHBondContact O-N 3.39Å; L62-F100 HydrophobicContact CB-CD1 4.12Å; L62-F100 HydrophobicContact CB-CE1 3.92Å; L62-F100 HydrophobicContact CB-CE2 4.34Å; L62-F100 HydrophobicContact CB-CG 4.42Å; L62-F100 HydrophobicContact CB-CZ 4.04Å; L62-F100 HydrophobicContact CD1-CB 4.14Å; L62-F100 HydrophobicContact CD1-CD1 4.24Å; L62-F100 HydrophobicContact CD1-CD2 4.45Å; L62-F100 HydrophobicContact CD1-CG 4.04Å; L62-F105 HydrophobicContact CD2-CD1 3.92Å; L62-F105 HydrophobicContact CD2-CE1 3.74Å; L62-F105 HydrophobicContact CD2-CG 4.38Å; L62-F105 HydrophobicContact CD2-CZ 4.05Å; L62-L279 HydrophobicContact CD2-CB 4Å; L62-L279 HydrophobicContact CD2-CD1 4.42Å; L62-L279 HydrophobicContact CG-CB 4.44Å; L62-L279 HydrophobicContact CG-CD1 4.49Å; L62-V283 HydrophobicContact CD1-CG2 3.49Å; L62-V283 VanDerWaalsContact CD1-CG2 3.49Å; L62-V283 HydrophobicContact CD2-CG2 4.24Å; L62-V283 HydrophobicContact CG-CG2 4.49Å |
| 63 | R | 95.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 27 Ų | 27 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -48.5 | 175.1 | -73.3 | 170.9 | -178.5 | -89.6 | 4.5 | 111.6 | E59 T60 D61 G66 C67 H92 F95 F100 | E59-R63 WeakPolarHBondContact O-CG 3.36Å; E59-R63 PolarHBondContact O-N 3.23Å; E59-R63 IonicContact OE1-CZ 3.19Å; E59-R63 IonicContact OE1-NE 2.62Å; E59-R63 PolarHBondContact OE1-NE 3.39Å; E59-R63 IonicContact OE1-NH2 2.92Å; E59-R63 PolarHBondContact OE1-NH2 3.38Å; T60-R63 WeakPolarHBondContact O-CB 3.34Å; T60-R63 PolarHBondContact O-N 2.88Å; D61-R63 VanDerWaalsContact C-N 3.34Å; R63-G66 PolarHBondContact O-N 3.45Å; R63-C67 PolarHBondContact O-N 3.18Å; R63-C67 PolarHBondContact O-SG 3.5Å; R63-H92 PolarHBondContact NH1-O 3.18Å; R63-F95 PolarHBondContact NH2-O 3.07Å; R63-F100 HydrophobicContact CG-CE2 3.78Å; R63-F100 HydrophobicContact CG-CZ 3.72Å |
| 64 | I | 94.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 6% | 0.062 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.4 | -51.2 | 176 | -67.1 | 162.8 | 0 | 0 | 0 | 110.2 | T60 G66 C67 E68 R213 L268 | T60-I64 HydrophobicContact CG2-CD1 3.95Å; T60-I64 WeakPolarHBondContact O-CG1 3.36Å; T60-I64 PolarHBondContact O-N 3.45Å; I64-G66 VanDerWaalsContact C-N 3.35Å; I64-G66 PolarHBondContact O-N 3.36Å; I64-C67 WeakPolarHBondContact O-CB 3.39Å; I64-C67 PolarHBondContact O-N 2.9Å; I64-C67 VanDerWaalsContact O-N 3.08Å; I64-E68 PolarHBondContact O-N 3.43Å; I64-R213 HydrophobicContact CG2-CB 4.5Å; I64-L268 HydrophobicContact CD1-CD1 3.79Å; I64-L268 HydrophobicContact CG1-CD1 3.96Å; I64-L268 HydrophobicContact CG2-CD1 4.22Å |
| 65 | L | 93.8 | Very high | 95 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 179.2 | 175.6 | 63.4 | 0 | 0 | 0 | 112.8 | D61 C67 E68 L69 F105 Y276 L279 | D61-L65 WeakPolarHBondContact O-CB 3.35Å; D61-L65 PolarHBondContact O-N 3Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-E68 PolarHBondContact O-N 2.93Å; L65-L69 HydrophobicContact CG-CD1 4.46Å; L65-L69 WeakPolarHBondContact O-CG 3.25Å; L65-L69 PolarHBondContact O-N 3Å; L65-F105 HydrophobicContact CD2-CE2 3.75Å; L65-F105 HydrophobicContact CD2-CZ 3.8Å; L65-F105 HydrophobicContact CG-CE2 3.99Å; L65-Y276 HydrophobicContact CD1-CD2 4.31Å; L65-Y276 HydrophobicContact CD2-CD2 3.76Å; L65-Y276 HydrophobicContact CD2-CE2 4.32Å; L65-Y276 HydrophobicContact CG-CD2 4.47Å; L65-L279 HydrophobicContact CD2-CD1 3.9Å |
| 66 | G | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L62 R63 I64 L69 I70 | L62-G66 PolarHBondContact O-N 3.39Å; R63-G66 PolarHBondContact O-N 3.45Å; I64-G66 VanDerWaalsContact C-N 3.35Å; I64-G66 PolarHBondContact O-N 3.36Å; G66-L69 PolarHBondContact O-N 3.04Å; G66-I70 WeakPolarHBondContact O-CG1 3.43Å; G66-I70 PolarHBondContact O-N 2.59Å |
| 67 | C | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.4 | -37.1 | 176.7 | -63.5 | 0 | 0 | 0 | 0 | 112.8 | R63 I64 L65 I70 Q71 Q88 H92 R213 | R63-C67 PolarHBondContact O-N 3.18Å; R63-C67 PolarHBondContact O-SG 3.5Å; I64-C67 WeakPolarHBondContact O-CB 3.39Å; I64-C67 PolarHBondContact O-N 2.9Å; I64-C67 VanDerWaalsContact O-N 3.08Å; L65-C67 VanDerWaalsContact C-N 3.33Å; C67-I70 PolarHBondContact O-N 3.05Å; C67-Q71 PolarHBondContact O-N 2.9Å; C67-Q88 HydrophobicContact CB-CG 3.92Å; C67-Q88 PolarHBondContact O-NE2 2.87Å; C67-H92 PolarHBondContact SG-NE2 2.77Å; C67-R213 HydrophobicContact CB-CB 4.35Å; C67-R213 HydrophobicContact CB-CG 4.18Å |
| 68 | E | 94.5 | Very high | 95.7 | Very high | 62 Ų | 62 | 32.6 Ų | 32.6 | 29% | 0.29 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.1 | -45 | 171.1 | -72.9 | -172.7 | 177.8 | 0 | 0 | 111.6 | I64 L65 I70 Q71 A72 | I64-E68 PolarHBondContact O-N 3.43Å; L65-E68 PolarHBondContact O-N 2.93Å; E68-I70 PolarHBondContact O-N 2.92Å; E68-Q71 PolarHBondContact O-N 3.08Å; E68-A72 VanDerWaalsContact O-CB 3.31Å; E68-A72 WeakPolarHBondContact O-CB 3.47Å; E68-A72 PolarHBondContact O-N 2.93Å |
| 69 | L | 95.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 177.7 | -71.7 | 172.4 | 0 | 0 | 0 | 112.2 | L65 G66 A73 F105 E106 F133 | L65-L69 HydrophobicContact CG-CD1 4.46Å; L65-L69 WeakPolarHBondContact O-CG 3.25Å; L65-L69 PolarHBondContact O-N 3Å; G66-L69 PolarHBondContact O-N 3.04Å; L69-A73 WeakPolarHBondContact O-CB 3.29Å; L69-A73 PolarHBondContact O-N 3.47Å; L69-F105 HydrophobicContact CD1-CD2 4.41Å; L69-F105 HydrophobicContact CD1-CE2 3.9Å; L69-E106 HydrophobicContact CD1-CG 4.34Å; L69-F133 HydrophobicContact CB-CE1 4.22Å |
| 70 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.5 | -68.9 | 166 | 0 | 0 | 0 | 110.9 | G66 C67 E68 A73 G74 Q88 F91 A109 C112 I113 | G66-I70 WeakPolarHBondContact O-CG1 3.43Å; G66-I70 PolarHBondContact O-N 2.59Å; C67-I70 PolarHBondContact O-N 3.05Å; E68-I70 PolarHBondContact O-N 2.92Å; I70-A73 PolarHBondContact O-N 3.3Å; I70-G74 PolarHBondContact O-N 3.45Å; I70-Q88 HydrophobicContact CB-CG 4.15Å; I70-Q88 HydrophobicContact CG2-CG 3.93Å; I70-F91 HydrophobicContact CD1-CB 3.71Å; I70-F91 HydrophobicContact CD1-CD2 3.86Å; I70-F91 HydrophobicContact CD1-CG 3.87Å; I70-A109 HydrophobicContact CD1-CB 4.27Å; I70-A109 HydrophobicContact CG1-CB 3.94Å; I70-C112 HydrophobicContact CD1-CB 4.38Å; I70-I113 HydrophobicContact CG2-CB 4.42Å; I70-I113 HydrophobicContact CG2-CD1 4.24Å; I70-I113 HydrophobicContact CG2-CG1 4.37Å; I70-I113 WeakPolarHBondContact O-CD1 3.3Å |
| 71 | Q | 96.7 | Very high | 96 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 19% | 0.192 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 177 | -174.3 | 70.7 | 22.3 | 0 | 0 | 111.4 | C67 E68 A73 G74 I75 M84 | C67-Q71 PolarHBondContact O-N 2.9Å; E68-Q71 PolarHBondContact O-N 3.08Å; Q71-A73 VanDerWaalsContact C-N 3.34Å; Q71-A73 PolarHBondContact O-N 3.12Å; Q71-G74 PolarHBondContact O-N 3.15Å; Q71-I75 HydrophobicContact CG-CD1 4.12Å; Q71-I75 WeakPolarHBondContact O-CG1 3.34Å; Q71-I75 PolarHBondContact O-N 2.83Å; Q71-M84 VanDerWaalsContact O-SD 3.37Å |
| 72 | A | 96.4 | Very high | 96 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 28% | 0.281 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | E68 L76 L136 | E68-A72 VanDerWaalsContact O-CB 3.31Å; E68-A72 WeakPolarHBondContact O-CB 3.47Å; E68-A72 PolarHBondContact O-N 2.93Å; A72-L76 WeakPolarHBondContact O-CG 3.4Å; A72-L76 PolarHBondContact O-N 3.19Å; A72-L136 HydrophobicContact CB-CD1 4.22Å; A72-L136 HydrophobicContact CB-CD2 3.91Å |
| 73 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L69 I70 Q71 L76 L77 I113 V132 F133 L136 | L69-A73 WeakPolarHBondContact O-CB 3.29Å; L69-A73 PolarHBondContact O-N 3.47Å; I70-A73 PolarHBondContact O-N 3.3Å; Q71-A73 VanDerWaalsContact C-N 3.34Å; Q71-A73 PolarHBondContact O-N 3.12Å; A73-L76 PolarHBondContact O-N 3.4Å; A73-L77 VanDerWaalsContact O-CB 3.32Å; A73-L77 WeakPolarHBondContact O-CB 3.43Å; A73-L77 WeakPolarHBondContact O-CG 3.15Å; A73-L77 PolarHBondContact O-N 2.91Å; A73-I113 HydrophobicContact CB-CD1 3.82Å; A73-V132 HydrophobicContact CB-CG1 3.72Å; A73-F133 HydrophobicContact CB-CD2 3.92Å; A73-F133 HydrophobicContact CB-CE2 3.34Å; A73-F133 HydrophobicContact CB-CZ 4.02Å; A73-L136 HydrophobicContact CB-CD1 3.9Å |
| 74 | G | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.4 | -36.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I70 Q71 L77 R78 L79 M84 | I70-G74 PolarHBondContact O-N 3.45Å; Q71-G74 PolarHBondContact O-N 3.15Å; G74-L77 CarbonylContact O-C 3.4Å; G74-L77 PolarHBondContact O-N 3.39Å; G74-R78 PolarHBondContact O-N 2.93Å; G74-L79 PolarHBondContact O-N 3.25Å; G74-M84 WeakPolarHBondContact CA-SD 3.44Å |
| 75 | I | 96.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 36.1 Ų | 36.1 | 52% | 0.523 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 171 | -68.3 | 164.7 | 0 | 0 | 0 | 110.2 | Q71 L77 R78 M84 | Q71-I75 HydrophobicContact CG-CD1 4.12Å; Q71-I75 WeakPolarHBondContact O-CG1 3.34Å; Q71-I75 PolarHBondContact O-N 2.83Å; I75-L77 VanDerWaalsContact C-N 3.34Å; I75-L77 PolarHBondContact O-N 2.77Å; I75-R78 PolarHBondContact O-N 2.95Å; I75-R78 VanDerWaalsContact O-N 3.07Å; I75-M84 HydrophobicContact CG1-CE 4.25Å; I75-M84 HydrophobicContact CG1-SD 4.07Å; I75-M84 PolarHBondContact N-SD 2.87Å |
| 76 | L | 96.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 43% | 0.429 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.8 | -33.3 | 178.7 | -69.6 | 171.9 | 0 | 0 | 0 | 113 | A72 A73 R78 V132 L136 | A72-L76 WeakPolarHBondContact O-CG 3.4Å; A72-L76 PolarHBondContact O-N 3.19Å; A73-L76 PolarHBondContact O-N 3.4Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 3.16Å; L76-V132 HydrophobicContact CB-CG1 3.77Å; L76-V132 HydrophobicContact CB-CG2 4.04Å; L76-V132 HydrophobicContact CD1-CG1 3.89Å; L76-V132 HydrophobicContact CG-CG1 4.49Å; L76-L136 HydrophobicContact CD1-CD1 4.46Å; L76-L136 HydrophobicContact CD1-CD2 3.75Å; L76-L136 HydrophobicContact CD1-CG 3.97Å |
| 77 | L | 97.1 | Very high | 96.4 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.3 | 173.5 | -69.7 | 168.6 | 0 | 0 | 0 | 113.7 | A73 G74 I75 L79 I113 R124 D128 V129 V132 | A73-L77 VanDerWaalsContact O-CB 3.32Å; A73-L77 WeakPolarHBondContact O-CB 3.43Å; A73-L77 WeakPolarHBondContact O-CG 3.15Å; A73-L77 PolarHBondContact O-N 2.91Å; G74-L77 CarbonylContact O-C 3.4Å; G74-L77 PolarHBondContact O-N 3.39Å; I75-L77 VanDerWaalsContact C-N 3.34Å; I75-L77 PolarHBondContact O-N 2.77Å; L77-L79 HydrophobicContact CB-CD1 4.34Å; L77-L79 HydrophobicContact CB-CG 4.1Å; L77-L79 HydrophobicContact CD1-CD1 4.32Å; L77-L79 PolarHBondContact O-N 3.19Å; L77-I113 HydrophobicContact CD1-CD1 4.07Å; L77-R124 HydrophobicContact CB-CG 4.4Å; L77-R124 PolarHBondContact O-NE 3.36Å; L77-D128 HydrophobicContact CD2-CB 4.07Å; L77-V129 HydrophobicContact CD1-CG2 3.96Å; L77-V129 HydrophobicContact CD2-CG2 4.5Å; L77-V132 HydrophobicContact CD2-CB 4.42Å; L77-V132 HydrophobicContact CD2-CG2 3.85Å; L77-V132 HydrophobicContact CG-CB 4.41Å; L77-V132 HydrophobicContact CG-CG1 4.44Å; L77-V132 HydrophobicContact CG-CG2 4.06Å |
| 78 | R | 96.7 | Very high | 96.5 | Very high | 216 Ų | 216 | 35.7 Ų | 35.7 | 82% | 0.815 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 53.9 | -172.9 | -56.8 | -178.5 | -179.5 | -173.2 | -1.3 | 111.9 | G74 I75 L76 R124 | G74-R78 PolarHBondContact O-N 2.93Å; I75-R78 PolarHBondContact O-N 2.95Å; I75-R78 VanDerWaalsContact O-N 3.07Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 3.16Å; R78-R124 PolarHBondContact O-NH2 3.48Å |
| 79 | L | 97.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | trans | -88.8 | 151.3 | 171.6 | -73 | 176.4 | 0 | 0 | 0 | 111 | G74 L77 A83 M84 I113 A122 R124 | G74-L79 PolarHBondContact O-N 3.25Å; L77-L79 HydrophobicContact CB-CD1 4.34Å; L77-L79 HydrophobicContact CB-CG 4.1Å; L77-L79 HydrophobicContact CD1-CD1 4.32Å; L77-L79 PolarHBondContact O-N 3.19Å; L79-A83 HydrophobicContact CB-CB 4.34Å; L79-M84 HydrophobicContact CB-CG 4.4Å; L79-I113 HydrophobicContact CD1-CD1 3.98Å; L79-I113 HydrophobicContact CD1-CG1 3.7Å; L79-A122 HydrophobicContact CD2-CB 4.16Å; L79-A122 VanDerWaalsContact CD2-O 3.31Å; L79-A122 WeakPolarHBondContact CD2-O 3.47Å; L79-R124 HydrophobicContact CD2-CG 3.78Å; L79-R124 HydrophobicContact CG-CG 4.34Å | ||
| 80 | P | 96.2 | Very high | 96.6 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 37% | 0.37 | 16% | 0.162 | S | C | . | . | trans | -66.6 | 153.8 | 171.2 | 29.4 | -34.5 | 0 | 0 | 0 | 110.9 | V82 A83 M84 A122 | P80-V82 PolarHBondContact O-N 2.93Å; P80-A83 HydrophobicContact CG-CB 3.93Å; P80-A83 PolarHBondContact O-N 2.98Å; P80-M84 PolarHBondContact O-N 2.8Å; P80-A122 HydrophobicContact CG-CB 4.19Å | ||
| 81 | Q | 94.1 | Very high | 96.6 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 24% | 0.238 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -32 | -179.4 | -174.8 | 59.2 | 54.5 | 0 | 0 | 112.9 | A83 M84 A85 | Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 3.21Å; Q81-M84 HydrophobicContact CB-CE 4.44Å; Q81-M84 PolarHBondContact O-N 2.86Å; Q81-A85 WeakPolarHBondContact O-CB 3.41Å; Q81-A85 PolarHBondContact O-N 2.85Å |
| 82 | V | 94.9 | Very high | 96.6 | Very high | 58 Ų | 58 | 30.6 Ų | 30.6 | 35% | 0.352 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 175 | -168.2 | 0 | 0 | 0 | 0 | 111 | P80 M84 A85 T86 E120 | P80-V82 PolarHBondContact O-N 2.93Å; V82-M84 VanDerWaalsContact C-N 3.35Å; V82-M84 PolarHBondContact O-N 2.66Å; V82-A85 PolarHBondContact O-N 3.1Å; V82-T86 WeakPolarHBondContact O-CB 3.45Å; V82-T86 PolarHBondContact O-N 2.99Å; V82-T86 PolarHBondContact O-OG1 3.38Å; V82-E120 HydrophobicContact CG1-CG 4.32Å; V82-E120 WeakPolarHBondContact CG1-OE2 3.45Å |
| 83 | A | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69 | -31.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L79 P80 Q81 G87 A116 E120 | L79-A83 HydrophobicContact CB-CB 4.34Å; P80-A83 HydrophobicContact CG-CB 3.93Å; P80-A83 PolarHBondContact O-N 2.98Å; Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 3.21Å; A83-G87 PolarHBondContact O-N 2.63Å; A83-A116 VanDerWaalsContact O-CB 3.3Å; A83-A116 WeakPolarHBondContact O-CB 3.45Å; A83-E120 HydrophobicContact CB-CB 3.96Å; A83-E120 HydrophobicContact CB-CG 3.73Å |
| 84 | M | 96.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 4% | 0.044 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.6 | -43.8 | 173.1 | -65.8 | -171.6 | -79.6 | 0 | 0 | 111.1 | Q71 G74 I75 L79 P80 Q81 V82 G87 Q88 | Q71-M84 VanDerWaalsContact O-SD 3.37Å; G74-M84 WeakPolarHBondContact CA-SD 3.44Å; I75-M84 HydrophobicContact CG1-CE 4.25Å; I75-M84 HydrophobicContact CG1-SD 4.07Å; I75-M84 PolarHBondContact N-SD 2.87Å; L79-M84 HydrophobicContact CB-CG 4.4Å; P80-M84 PolarHBondContact O-N 2.8Å; Q81-M84 HydrophobicContact CB-CE 4.44Å; Q81-M84 PolarHBondContact O-N 2.86Å; V82-M84 VanDerWaalsContact C-N 3.35Å; V82-M84 PolarHBondContact O-N 2.66Å; M84-G87 PolarHBondContact O-N 2.95Å; M84-Q88 WeakPolarHBondContact O-CG 3.48Å; M84-Q88 PolarHBondContact O-N 3Å |
| 85 | A | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q81 V82 G87 Q88 V89 H180 L212 | Q81-A85 WeakPolarHBondContact O-CB 3.41Å; Q81-A85 PolarHBondContact O-N 2.85Å; V82-A85 PolarHBondContact O-N 3.1Å; A85-G87 VanDerWaalsContact C-N 3.29Å; A85-G87 PolarHBondContact O-N 3.26Å; A85-Q88 PolarHBondContact O-N 3.4Å; A85-Q88 VanDerWaalsContact O-N 3.09Å; A85-V89 WeakPolarHBondContact O-CG2 3.47Å; A85-V89 PolarHBondContact O-N 3.43Å; A85-H180 WeakPolarHBondContact CB-CE1 3.48Å; A85-L212 HydrophobicContact CB-CD1 3.66Å; A85-L212 HydrophobicContact CB-CD2 3.87Å; A85-L212 HydrophobicContact CB-CG 4.46Å |
| 86 | T | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.8 | -44.2 | 173.4 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | V82 Q88 V89 L90 A116 I119 E120 V178 H180 | V82-T86 WeakPolarHBondContact O-CB 3.45Å; V82-T86 PolarHBondContact O-N 2.99Å; V82-T86 PolarHBondContact O-OG1 3.38Å; T86-Q88 VanDerWaalsContact C-N 3.34Å; T86-Q88 PolarHBondContact O-N 3.34Å; T86-V89 PolarHBondContact O-N 2.89Å; T86-L90 HydrophobicContact CG2-CD1 3.85Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CB 3.44Å; T86-L90 WeakPolarHBondContact O-CG 3.29Å; T86-L90 PolarHBondContact O-N 3.13Å; T86-A116 HydrophobicContact CG2-CB 3.88Å; T86-I119 HydrophobicContact CG2-CD1 4.41Å; T86-I119 HydrophobicContact CG2-CG2 4.4Å; T86-E120 WeakPolarHBondContact CB-OE1 3.49Å; T86-E120 WeakPolarHBondContact CG2-OE1 3.3Å; T86-E120 PolarHBondContact OG1-OE1 3.22Å; T86-V178 HydrophobicContact CG2-CG2 4.17Å; T86-H180 PolarHBondContact N-CE1 3.5Å; T86-H180 PolarHBondContact OG1-NE2 2.88Å |
| 87 | G | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.9 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A83 M84 A85 F91 | A83-G87 PolarHBondContact O-N 2.63Å; M84-G87 PolarHBondContact O-N 2.95Å; A85-G87 VanDerWaalsContact C-N 3.29Å; A85-G87 PolarHBondContact O-N 3.26Å; G87-F91 WeakPolarHBondContact O-CB 3.44Å; G87-F91 PolarHBondContact O-N 2.99Å; G87-F91 VanDerWaalsContact O-N 3.07Å |
| 88 | Q | 97.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.5 | -43.5 | 177.9 | -70.6 | 164.5 | -31.4 | 0 | 0 | 112.3 | C67 I70 M84 A85 T86 F91 H92 | C67-Q88 HydrophobicContact CB-CG 3.92Å; C67-Q88 PolarHBondContact O-NE2 2.87Å; I70-Q88 HydrophobicContact CB-CG 4.15Å; I70-Q88 HydrophobicContact CG2-CG 3.93Å; M84-Q88 WeakPolarHBondContact O-CG 3.48Å; M84-Q88 PolarHBondContact O-N 3Å; A85-Q88 PolarHBondContact O-N 3.4Å; A85-Q88 VanDerWaalsContact O-N 3.09Å; T86-Q88 VanDerWaalsContact C-N 3.34Å; T86-Q88 PolarHBondContact O-N 3.34Å; Q88-F91 WeakPolarHBondContact O-CB 3.4Å; Q88-F91 PolarHBondContact O-N 3.43Å; Q88-H92 PolarHBondContact O-CD2 3.37Å; Q88-H92 VanDerWaalsContact O-CD2 3.25Å; Q88-H92 PolarHBondContact O-N 2.92Å |
| 89 | V | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.5 | 179 | 0 | 0 | 0 | 0 | 111.5 | A85 T86 F91 H92 R93 V178 L212 F217 V218 | A85-V89 WeakPolarHBondContact O-CG2 3.47Å; A85-V89 PolarHBondContact O-N 3.43Å; T86-V89 PolarHBondContact O-N 2.89Å; V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 2.72Å; V89-H92 PolarHBondContact O-N 3.11Å; V89-R93 HydrophobicContact CG1-CG 4.42Å; V89-R93 WeakPolarHBondContact O-CG 3.41Å; V89-R93 PolarHBondContact O-N 2.81Å; V89-V178 HydrophobicContact CB-CG1 4.06Å; V89-V178 HydrophobicContact CB-CG2 4.05Å; V89-V178 HydrophobicContact CG1-CG1 4Å; V89-V178 HydrophobicContact CG1-CG2 3.89Å; V89-V178 HydrophobicContact CG2-CG1 3.96Å; V89-L212 HydrophobicContact CG2-CD2 4.11Å; V89-F217 HydrophobicContact CG2-CB 3.81Å; V89-F217 HydrophobicContact CG2-CD1 3.73Å; V89-F217 HydrophobicContact CG2-CG 4Å; V89-V218 HydrophobicContact CG1-CG1 4.37Å |
| 90 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.8 | -37.9 | 174.1 | -67.2 | 173.1 | 0 | 0 | 0 | 112 | T86 F94 L115 A116 I119 L172 V176 | T86-L90 HydrophobicContact CG2-CD1 3.85Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CB 3.44Å; T86-L90 WeakPolarHBondContact O-CG 3.29Å; T86-L90 PolarHBondContact O-N 3.13Å; L90-F94 WeakPolarHBondContact O-CB 3.38Å; L90-F94 PolarHBondContact O-N 3.45Å; L90-L115 HydrophobicContact CD1-CD2 4.26Å; L90-L115 HydrophobicContact CD1-CG 4.29Å; L90-A116 HydrophobicContact CD1-CB 4.4Å; L90-I119 HydrophobicContact CD1-CD1 3.81Å; L90-L172 HydrophobicContact CB-CD1 4.48Å; L90-L172 HydrophobicContact CD2-CD1 3.53Å; L90-V176 HydrophobicContact CD2-CB 3.92Å; L90-V176 HydrophobicContact CD2-CG1 4.09Å |
| 91 | F | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.8 | -46 | 175.4 | -176.9 | -87.1 | 0 | 0 | 0 | 112.1 | I70 G87 Q88 V89 F94 F95 F100 F105 V108 A109 C112 | I70-F91 HydrophobicContact CD1-CB 3.71Å; I70-F91 HydrophobicContact CD1-CD2 3.86Å; I70-F91 HydrophobicContact CD1-CG 3.87Å; G87-F91 WeakPolarHBondContact O-CB 3.44Å; G87-F91 PolarHBondContact O-N 2.99Å; G87-F91 VanDerWaalsContact O-N 3.07Å; Q88-F91 WeakPolarHBondContact O-CB 3.4Å; Q88-F91 PolarHBondContact O-N 3.43Å; V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 2.72Å; F91-F94 PolarHBondContact O-N 3.29Å; F91-F95 HydrophobicContact CD1-CD2 4.07Å; F91-F95 HydrophobicContact CD2-CD2 4.15Å; F91-F95 AromaticContact CD2-CE2 3.91Å; F91-F95 HydrophobicContact CD2-CE2 3.91Å; F91-F95 AromaticContact CE1-CD2 3.83Å; F91-F95 HydrophobicContact CE1-CD2 3.83Å; F91-F95 HydrophobicContact CE1-CE2 4.15Å; F91-F95 AromaticContact CE2-CD2 3.94Å; F91-F95 HydrophobicContact CE2-CD2 3.94Å; F91-F95 AromaticContact CE2-CE2 3.46Å; F91-F95 HydrophobicContact CE2-CE2 3.46Å; F91-F95 VanDerWaalsContact CE2-CE2 3.46Å; F91-F95 HydrophobicContact CG-CD2 4.21Å; F91-F95 HydrophobicContact CG-CE2 4.44Å; F91-F95 AromaticContact CZ-CD2 3.75Å; F91-F95 HydrophobicContact CZ-CD2 3.75Å; F91-F95 AromaticContact CZ-CE2 3.58Å; F91-F95 HydrophobicContact CZ-CE2 3.58Å; F91-F95 WeakPolarHBondContact O-CD2 3.22Å; F91-F95 PolarHBondContact O-N 3.23Å; F91-F100 HydrophobicContact CE1-CE1 4.34Å; F91-F100 HydrophobicContact CE1-CZ 4.22Å; F91-F100 HydrophobicContact CZ-CE1 4.03Å; F91-F100 HydrophobicContact CZ-CZ 4.36Å; F91-F105 HydrophobicContact CE2-CB 4.4Å; F91-F105 HydrophobicContact CZ-CB 4.17Å; F91-V108 HydrophobicContact CD2-CG1 4.1Å; F91-V108 HydrophobicContact CE2-CG1 4.37Å; F91-A109 HydrophobicContact CD2-CB 4.24Å; F91-A109 HydrophobicContact CE2-CB 3.96Å; F91-C112 HydrophobicContact CB-CB 4.35Å |
| 92 | H | 96.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 174.6 | -75.2 | -63.3 | 0 | 0 | 0 | 112.5 | R63 C67 Q88 V89 F94 F95 Y96 L212 T214 V218 | R63-H92 PolarHBondContact NH1-O 3.18Å; C67-H92 PolarHBondContact SG-NE2 2.77Å; Q88-H92 PolarHBondContact O-CD2 3.37Å; Q88-H92 VanDerWaalsContact O-CD2 3.25Å; Q88-H92 PolarHBondContact O-N 2.92Å; V89-H92 PolarHBondContact O-N 3.11Å; H92-F94 VanDerWaalsContact C-N 3.29Å; H92-F94 PolarHBondContact O-N 2.9Å; H92-F95 PolarHBondContact O-N 3.4Å; H92-Y96 WeakPolarHBondContact O-CD2 3.2Å; H92-Y96 PolarHBondContact O-N 3.36Å; H92-L212 PolarHBondContact NE2-O 2.94Å; H92-T214 PolarHBondContact CE1-O 3.33Å; H92-T214 PolarHBondContact NE2-O 2.84Å; H92-V218 HydrophobicContact CB-CG1 3.86Å; H92-V218 HydrophobicContact CB-CG2 4.45Å |
| 93 | R | 94.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 178.2 | -71.4 | -176 | 171 | 148.2 | 9 | 111.6 | N36 S37 V89 S97 L172 H177 V218 | N36-R93 PolarHBondContact OD1-NH2 3.16Å; S37-R93 PolarHBondContact O-NE 3.06Å; S37-R93 VanDerWaalsContact O-NE 3.1Å; S37-R93 PolarHBondContact O-NH2 2.81Å; V89-R93 HydrophobicContact CG1-CG 4.42Å; V89-R93 WeakPolarHBondContact O-CG 3.41Å; V89-R93 PolarHBondContact O-N 2.81Å; R93-S97 PolarHBondContact O-N 3.46Å; R93-S97 PolarHBondContact O-OG 3.5Å; R93-L172 HydrophobicContact CB-CD2 3.49Å; R93-L172 VanDerWaalsContact CB-CD2 3.49Å; R93-H177 PolarHBondContact NH1-O 2.72Å; R93-V218 HydrophobicContact CG-CG1 3.6Å |
| 94 | F | 95.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -48 | 175.4 | -178.3 | -92.9 | 0 | 0 | 0 | 112 | L90 F91 H92 Y96 S97 K98 H103 V108 R167 V168 E171 | L90-F94 WeakPolarHBondContact O-CB 3.38Å; L90-F94 PolarHBondContact O-N 3.45Å; F91-F94 PolarHBondContact O-N 3.29Å; H92-F94 VanDerWaalsContact C-N 3.29Å; H92-F94 PolarHBondContact O-N 2.9Å; F94-Y96 PolarHBondContact O-N 3.03Å; F94-S97 CarbonylContact O-C 3.41Å; F94-S97 WeakPolarHBondContact O-CA 3.39Å; F94-S97 WeakPolarHBondContact O-CB 3.47Å; F94-S97 PolarHBondContact O-N 3.48Å; F94-K98 HydrophobicContact CD1-CB 4.39Å; F94-K98 HydrophobicContact CE1-CB 3.88Å; F94-K98 HydrophobicContact CE1-CG 4.47Å; F94-K98 HydrophobicContact CE2-CB 4.46Å; F94-K98 HydrophobicContact CE2-CG 4.19Å; F94-K98 HydrophobicContact CZ-CB 3.93Å; F94-K98 HydrophobicContact CZ-CG 4.02Å; F94-K98 PolarHBondContact O-N 3.43Å; F94-H103 HydrophobicContact CE1-CB 4.25Å; F94-H103 AromaticContact CZ-CD2 3.94Å; F94-V108 HydrophobicContact CD1-CG1 3.7Å; F94-V108 HydrophobicContact CD1-CG2 4.37Å; F94-V108 HydrophobicContact CE1-CG1 4.03Å; F94-V108 HydrophobicContact CE1-CG2 3.85Å; F94-V108 HydrophobicContact CG-CG1 4.23Å; F94-V108 HydrophobicContact CZ-CG2 4.37Å; F94-R167 HydrophobicContact CE2-CG 4.19Å; F94-V168 HydrophobicContact CD2-CB 4.32Å; F94-V168 HydrophobicContact CD2-CG2 3.77Å; F94-V168 HydrophobicContact CE2-CG2 4.14Å; F94-V168 HydrophobicContact CG-CG2 4.21Å; F94-E171 HydrophobicContact CD2-CB 4.33Å; F94-E171 HydrophobicContact CD2-CG 4.48Å; F94-E171 HydrophobicContact CE2-CB 4.3Å; F94-E171 HydrophobicContact CE2-CG 3.96Å |
| 95 | F | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -77.8 | -16.7 | -176.5 | -79.2 | -69.8 | 0 | 0 | 0 | 114.9 | R63 F91 H92 S97 K98 F100 H103 F105 V108 | R63-F95 PolarHBondContact NH2-O 3.07Å; F91-F95 HydrophobicContact CD1-CD2 4.07Å; F91-F95 HydrophobicContact CD2-CD2 4.15Å; F91-F95 AromaticContact CD2-CE2 3.91Å; F91-F95 HydrophobicContact CD2-CE2 3.91Å; F91-F95 AromaticContact CE1-CD2 3.83Å; F91-F95 HydrophobicContact CE1-CD2 3.83Å; F91-F95 HydrophobicContact CE1-CE2 4.15Å; F91-F95 AromaticContact CE2-CD2 3.94Å; F91-F95 HydrophobicContact CE2-CD2 3.94Å; F91-F95 AromaticContact CE2-CE2 3.46Å; F91-F95 HydrophobicContact CE2-CE2 3.46Å; F91-F95 VanDerWaalsContact CE2-CE2 3.46Å; F91-F95 HydrophobicContact CG-CD2 4.21Å; F91-F95 HydrophobicContact CG-CE2 4.44Å; F91-F95 AromaticContact CZ-CD2 3.75Å; F91-F95 HydrophobicContact CZ-CD2 3.75Å; F91-F95 AromaticContact CZ-CE2 3.58Å; F91-F95 HydrophobicContact CZ-CE2 3.58Å; F91-F95 WeakPolarHBondContact O-CD2 3.22Å; F91-F95 PolarHBondContact O-N 3.23Å; H92-F95 PolarHBondContact O-N 3.4Å; F95-S97 VanDerWaalsContact C-N 3.28Å; F95-K98 CarbonylContact C-O 3.41Å; F95-K98 VanDerWaalsContact CA-O 3.28Å; F95-K98 WeakPolarHBondContact CA-O 3.26Å; F95-K98 VanDerWaalsContact CD1-O 3.28Å; F95-K98 WeakPolarHBondContact CD1-O 3.3Å; F95-F100 HydrophobicContact CB-CD2 4.42Å; F95-F100 HydrophobicContact CB-CE1 4.44Å; F95-F100 HydrophobicContact CB-CE2 3.68Å; F95-F100 HydrophobicContact CB-CZ 3.7Å; F95-F100 HydrophobicContact CD1-CB 4.5Å; F95-F100 AromaticContact CD1-CD1 3.6Å; F95-F100 HydrophobicContact CD1-CD1 3.6Å; F95-F100 AromaticContact CD1-CD2 3.76Å; F95-F100 HydrophobicContact CD1-CD2 3.76Å; F95-F100 AromaticContact CD1-CE1 3.58Å; F95-F100 HydrophobicContact CD1-CE1 3.58Å; F95-F100 AromaticContact CD1-CE2 3.73Å; F95-F100 HydrophobicContact CD1-CE2 3.73Å; F95-F100 AromaticContact CD1-CG 3.69Å; F95-F100 HydrophobicContact CD1-CG 3.69Å; F95-F100 AromaticContact CD1-CZ 3.65Å; F95-F100 HydrophobicContact CD1-CZ 3.65Å; F95-F100 HydrophobicContact CD2-CD1 4.42Å; F95-F100 AromaticContact CD2-CE1 3.65Å; F95-F100 HydrophobicContact CD2-CE1 3.65Å; F95-F100 HydrophobicContact CD2-CE2 4.42Å; F95-F100 AromaticContact CD2-CZ 3.65Å; F95-F100 HydrophobicContact CD2-CZ 3.65Å; F95-F100 HydrophobicContact CE1-CB 4.39Å; F95-F100 AromaticContact CE1-CD1 3.42Å; F95-F100 HydrophobicContact CE1-CD1 3.42Å; F95-F100 VanDerWaalsContact CE1-CD1 3.42Å; F95-F100 HydrophobicContact CE1-CD2 4.37Å; F95-F100 AromaticContact CE1-CE1 3.66Å; F95-F100 HydrophobicContact CE1-CE1 3.66Å; F95-F100 AromaticContact CE1-CG 3.82Å; F95-F100 HydrophobicContact CE1-CG 3.82Å; F95-F100 HydrophobicContact CE1-CZ 4.22Å; F95-F100 HydrophobicContact CE2-CD1 4.26Å; F95-F100 AromaticContact CE2-CE1 3.69Å; F95-F100 HydrophobicContact CE2-CE1 3.69Å; F95-F100 HydrophobicContact CE2-CZ 4.19Å; F95-F100 HydrophobicContact CG-CD1 4.13Å; F95-F100 HydrophobicContact CG-CD2 4.21Å; F95-F100 AromaticContact CG-CE1 3.61Å; F95-F100 HydrophobicContact CG-CE1 3.61Å; F95-F100 AromaticContact CG-CE2 3.68Å; F95-F100 HydrophobicContact CG-CE2 3.68Å; F95-F100 HydrophobicContact CG-CG 4.41Å; F95-F100 AromaticContact CG-CZ 3.35Å; F95-F100 HydrophobicContact CG-CZ 3.35Å; F95-F100 AromaticContact CZ-CD1 3.78Å; F95-F100 HydrophobicContact CZ-CD1 3.78Å; F95-F100 AromaticContact CZ-CE1 3.7Å; F95-F100 HydrophobicContact CZ-CE1 3.7Å; F95-F100 HydrophobicContact CZ-CZ 4.46Å; F95-H103 HydrophobicContact CE1-CB 4.18Å; F95-H103 HydrophobicContact CZ-CB 4.39Å; F95-F105 HydrophobicContact CE2-CB 4.47Å; F95-F105 HydrophobicContact CZ-CB 4.23Å; F95-V108 HydrophobicContact CD2-CG1 4.41Å; F95-V108 HydrophobicContact CE2-CB 3.8Å; F95-V108 HydrophobicContact CE2-CG1 3.52Å; F95-V108 HydrophobicContact CE2-CG2 4.28Å; F95-V108 HydrophobicContact CZ-CB 3.86Å; F95-V108 HydrophobicContact CZ-CG1 3.98Å; F95-V108 HydrophobicContact CZ-CG2 3.87Å |
| 96 | Y | 94.1 | Very high | 95.3 | Very high | 22 Ų | 22 | 17.5 Ų | 17.5 | 9% | 0.086 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -74.1 | -21 | 161 | -83.8 | -68.9 | 0 | 0 | 0 | 113 | I39 L44 T47 P48 H92 F94 N215 V218 | I39-Y96 VanDerWaalsContact CD1-CB 3.43Å; I39-Y96 HydrophobicContact CD1-CD2 3.83Å; I39-Y96 HydrophobicContact CD1-CG 3.79Å; L44-Y96 HydrophobicContact CD2-CD1 4.32Å; L44-Y96 HydrophobicContact CD2-CE1 3.97Å; T47-Y96 HydrophobicContact CG2-CD1 4.44Å; T47-Y96 HydrophobicContact CG2-CE1 4.11Å; P48-Y96 VanDerWaalsContact CD-O 3.28Å; P48-Y96 WeakPolarHBondContact CD-O 3.25Å; P48-Y96 VanDerWaalsContact CG-O 3.23Å; P48-Y96 WeakPolarHBondContact CG-O 3.29Å; H92-Y96 WeakPolarHBondContact O-CD2 3.2Å; H92-Y96 PolarHBondContact O-N 3.36Å; F94-Y96 PolarHBondContact O-N 3.03Å; Y96-N215 HydrophobicContact CE2-CB 3.9Å; Y96-N215 WeakPolarHBondContact OH-CB 3.36Å; Y96-N215 PolarHBondContact OH-ND2 3.36Å; Y96-V218 HydrophobicContact CD2-CG2 3.75Å; Y96-V218 HydrophobicContact CE2-CG2 3.64Å |
| 97 | S | 92.4 | Very high | 95.3 | Very high | 47 Ų | 47 | 18.6 Ų | 18.6 | 33% | 0.329 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -95 | -16.4 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | R93 F94 F95 | R93-S97 PolarHBondContact O-N 3.46Å; R93-S97 PolarHBondContact O-OG 3.5Å; F94-S97 CarbonylContact O-C 3.41Å; F94-S97 WeakPolarHBondContact O-CA 3.39Å; F94-S97 WeakPolarHBondContact O-CB 3.47Å; F94-S97 PolarHBondContact O-N 3.48Å; F95-S97 VanDerWaalsContact C-N 3.28Å |
| 98 | K | 94.8 | Very high | 95.3 | Very high | 51 Ų | 51 | 18.8 Ų | 18.8 | 22% | 0.222 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -152.2 | 146.2 | -174.2 | -70.3 | -59.2 | 165.5 | -59.8 | 0 | 113.2 | F94 F95 E171 | F94-K98 HydrophobicContact CD1-CB 4.39Å; F94-K98 HydrophobicContact CE1-CB 3.88Å; F94-K98 HydrophobicContact CE1-CG 4.47Å; F94-K98 HydrophobicContact CE2-CB 4.46Å; F94-K98 HydrophobicContact CE2-CG 4.19Å; F94-K98 HydrophobicContact CZ-CB 3.93Å; F94-K98 HydrophobicContact CZ-CG 4.02Å; F94-K98 PolarHBondContact O-N 3.43Å; F95-K98 CarbonylContact C-O 3.41Å; F95-K98 VanDerWaalsContact CA-O 3.28Å; F95-K98 WeakPolarHBondContact CA-O 3.26Å; F95-K98 VanDerWaalsContact CD1-O 3.28Å; F95-K98 WeakPolarHBondContact CD1-O 3.3Å; K98-E171 VanDerWaalsContact CE-OE1 3.24Å; K98-E171 WeakPolarHBondContact CE-OE1 3.22Å; K98-E171 WeakPolarHBondContact CE-OE2 3.46Å; K98-E171 HydrophobicContact CG-CG 4.26Å; K98-E171 IonicContact NZ-OE1 2.69Å; K98-E171 IonicContact NZ-OE2 2.92Å; K98-E171 PolarHBondContact NZ-OE2 3.38Å |
| 99 | S | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | trans | -74 | 141.2 | -177 | 172.8 | 0 | 0 | 0 | 0 | 114.7 | P48 D52 V101 K102 H103 | P48-S99 WeakPolarHBondContact O-CB 3.39Å; D52-S99 WeakPolarHBondContact OD2-CB 3.36Å; D52-S99 PolarHBondContact OD2-OG 3.1Å; S99-V101 VanDerWaalsContact C-N 3.3Å; S99-V101 PolarHBondContact O-N 3.46Å; S99-V101 WeakPolarHBondContact OG-CB 3.45Å; S99-V101 PolarHBondContact OG-N 2.86Å; S99-K102 PolarHBondContact O-N 3.02Å; S99-H103 PolarHBondContact O-N 3.28Å; S99-H103 PolarHBondContact O-ND1 3.49Å | ||
| 100 | F | 95.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.013 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -59.8 | -34.4 | 165.3 | -76.6 | -75.8 | 0 | 0 | 0 | 113.3 | S49 L54 E59 L62 R63 F91 F95 K102 H103 F105 | S49-F100 WeakPolarHBondContact OG-CD2 3.34Å; S49-F100 PolarHBondContact OG-N 3.07Å; L54-F100 HydrophobicContact CD2-CB 4.01Å; E59-F100 HydrophobicContact CG-CD2 3.96Å; E59-F100 HydrophobicContact CG-CE2 3.83Å; L62-F100 HydrophobicContact CB-CD1 4.12Å; L62-F100 HydrophobicContact CB-CE1 3.92Å; L62-F100 HydrophobicContact CB-CE2 4.34Å; L62-F100 HydrophobicContact CB-CG 4.42Å; L62-F100 HydrophobicContact CB-CZ 4.04Å; L62-F100 HydrophobicContact CD1-CB 4.14Å; L62-F100 HydrophobicContact CD1-CD1 4.24Å; L62-F100 HydrophobicContact CD1-CD2 4.45Å; L62-F100 HydrophobicContact CD1-CG 4.04Å; R63-F100 HydrophobicContact CG-CE2 3.78Å; R63-F100 HydrophobicContact CG-CZ 3.72Å; F91-F100 HydrophobicContact CE1-CE1 4.34Å; F91-F100 HydrophobicContact CE1-CZ 4.22Å; F91-F100 HydrophobicContact CZ-CE1 4.03Å; F91-F100 HydrophobicContact CZ-CZ 4.36Å; F95-F100 HydrophobicContact CB-CD2 4.42Å; F95-F100 HydrophobicContact CB-CE1 4.44Å; F95-F100 HydrophobicContact CB-CE2 3.68Å; F95-F100 HydrophobicContact CB-CZ 3.7Å; F95-F100 HydrophobicContact CD1-CB 4.5Å; F95-F100 AromaticContact CD1-CD1 3.6Å; F95-F100 HydrophobicContact CD1-CD1 3.6Å; F95-F100 AromaticContact CD1-CD2 3.76Å; F95-F100 HydrophobicContact CD1-CD2 3.76Å; F95-F100 AromaticContact CD1-CE1 3.58Å; F95-F100 HydrophobicContact CD1-CE1 3.58Å; F95-F100 AromaticContact CD1-CE2 3.73Å; F95-F100 HydrophobicContact CD1-CE2 3.73Å; F95-F100 AromaticContact CD1-CG 3.69Å; F95-F100 HydrophobicContact CD1-CG 3.69Å; F95-F100 AromaticContact CD1-CZ 3.65Å; F95-F100 HydrophobicContact CD1-CZ 3.65Å; F95-F100 HydrophobicContact CD2-CD1 4.42Å; F95-F100 AromaticContact CD2-CE1 3.65Å; F95-F100 HydrophobicContact CD2-CE1 3.65Å; F95-F100 HydrophobicContact CD2-CE2 4.42Å; F95-F100 AromaticContact CD2-CZ 3.65Å; F95-F100 HydrophobicContact CD2-CZ 3.65Å; F95-F100 HydrophobicContact CE1-CB 4.39Å; F95-F100 AromaticContact CE1-CD1 3.42Å; F95-F100 HydrophobicContact CE1-CD1 3.42Å; F95-F100 VanDerWaalsContact CE1-CD1 3.42Å; F95-F100 HydrophobicContact CE1-CD2 4.37Å; F95-F100 AromaticContact CE1-CE1 3.66Å; F95-F100 HydrophobicContact CE1-CE1 3.66Å; F95-F100 AromaticContact CE1-CG 3.82Å; F95-F100 HydrophobicContact CE1-CG 3.82Å; F95-F100 HydrophobicContact CE1-CZ 4.22Å; F95-F100 HydrophobicContact CE2-CD1 4.26Å; F95-F100 AromaticContact CE2-CE1 3.69Å; F95-F100 HydrophobicContact CE2-CE1 3.69Å; F95-F100 HydrophobicContact CE2-CZ 4.19Å; F95-F100 HydrophobicContact CG-CD1 4.13Å; F95-F100 HydrophobicContact CG-CD2 4.21Å; F95-F100 AromaticContact CG-CE1 3.61Å; F95-F100 HydrophobicContact CG-CE1 3.61Å; F95-F100 AromaticContact CG-CE2 3.68Å; F95-F100 HydrophobicContact CG-CE2 3.68Å; F95-F100 HydrophobicContact CG-CG 4.41Å; F95-F100 AromaticContact CG-CZ 3.35Å; F95-F100 HydrophobicContact CG-CZ 3.35Å; F95-F100 AromaticContact CZ-CD1 3.78Å; F95-F100 HydrophobicContact CZ-CD1 3.78Å; F95-F100 AromaticContact CZ-CE1 3.7Å; F95-F100 HydrophobicContact CZ-CE1 3.7Å; F95-F100 HydrophobicContact CZ-CZ 4.46Å; F100-K102 PolarHBondContact O-N 3.5Å; F100-H103 PolarHBondContact O-N 2.86Å; F100-F105 HydrophobicContact CD1-CB 3.9Å; F100-F105 HydrophobicContact CE1-CB 3.82Å |
| 101 | V | 94.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -65.9 | -28.1 | 177.8 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | D52 L54 S99 R286 K287 L290 | D52-V101 HydrophobicContact CB-CB 3.95Å; D52-V101 HydrophobicContact CB-CG1 4.44Å; D52-V101 HydrophobicContact CB-CG2 3.87Å; L54-V101 HydrophobicContact CB-CG2 4.19Å; L54-V101 HydrophobicContact CD1-CG2 4.41Å; S99-V101 VanDerWaalsContact C-N 3.3Å; S99-V101 PolarHBondContact O-N 3.46Å; S99-V101 WeakPolarHBondContact OG-CB 3.45Å; S99-V101 PolarHBondContact OG-N 2.86Å; V101-R286 HydrophobicContact CG1-CB 3.98Å; V101-R286 HydrophobicContact CG2-CB 4Å; V101-K287 HydrophobicContact CG1-CB 3.92Å; V101-L290 HydrophobicContact CG1-CB 4.37Å; V101-L290 HydrophobicContact CG1-CD1 4.13Å |
| 102 | K | 93.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 19 Ų | 19 | 46% | 0.461 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -94.1 | -11.1 | -179.5 | -67.6 | 172.1 | -177.8 | 129.2 | 0 | 114 | D52 S99 F100 | D52-K102 VanDerWaalsContact OD1-CE 3.26Å; D52-K102 WeakPolarHBondContact OD1-CE 3.43Å; D52-K102 IonicContact OD1-NZ 3.25Å; D52-K102 PolarHBondContact OD1-NZ 3.48Å; D52-K102 VanDerWaalsContact OD2-CD 3.29Å; D52-K102 WeakPolarHBondContact OD2-CD 3.37Å; D52-K102 WeakPolarHBondContact OD2-CE 3.44Å; D52-K102 WeakPolarHBondContact OD2-CG 2.96Å; D52-K102 IonicContact OD2-NZ 3.84Å; D52-K102 PolarHBondContact OD2-NZ 3.39Å; S99-K102 PolarHBondContact O-N 3.02Å; F100-K102 PolarHBondContact O-N 3.5Å |
| 103 | H | 94.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 19 Ų | 19 | 11% | 0.106 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -145.4 | 122.2 | -173.6 | -51.2 | 85.5 | 0 | 0 | 0 | 112 | F94 F95 S99 F100 F105 V108 R167 | F94-H103 HydrophobicContact CE1-CB 4.25Å; F94-H103 AromaticContact CZ-CD2 3.94Å; F95-H103 HydrophobicContact CE1-CB 4.18Å; F95-H103 HydrophobicContact CZ-CB 4.39Å; S99-H103 PolarHBondContact O-N 3.28Å; S99-H103 PolarHBondContact O-ND1 3.49Å; F100-H103 PolarHBondContact O-N 2.86Å; H103-F105 PolarHBondContact O-N 2.98Å; H103-V108 HydrophobicContact CB-CG2 4.1Å; H103-R167 PolarHBondContact NE2-NE 2.79Å; H103-R167 PolarHBondContact NE2-NH1 3.18Å |
| 104 | S | 93.4 | Very high | 95.7 | Very high | 70 Ų | 70 | 19 Ų | 19 | 49% | 0.49 | 10% | 0.099 | S | C | . | . | trans | -59.9 | 120.8 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I107 V108 | S104-I107 PolarHBondContact O-N 3.22Å; S104-V108 WeakPolarHBondContact O-CG2 3.37Å; S104-V108 PolarHBondContact O-N 3.3Å | ||
| 105 | F | 93 | Very high | 95.8 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 4% | 0.039 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.2 | -31.5 | -177.7 | 72.9 | -81.8 | 0 | 0 | 0 | 113.3 | L62 L65 L69 F91 F95 F100 H103 I107 V108 A109 Y276 | L62-F105 HydrophobicContact CD2-CD1 3.92Å; L62-F105 HydrophobicContact CD2-CE1 3.74Å; L62-F105 HydrophobicContact CD2-CG 4.38Å; L62-F105 HydrophobicContact CD2-CZ 4.05Å; L65-F105 HydrophobicContact CD2-CE2 3.75Å; L65-F105 HydrophobicContact CD2-CZ 3.8Å; L65-F105 HydrophobicContact CG-CE2 3.99Å; L69-F105 HydrophobicContact CD1-CD2 4.41Å; L69-F105 HydrophobicContact CD1-CE2 3.9Å; F91-F105 HydrophobicContact CE2-CB 4.4Å; F91-F105 HydrophobicContact CZ-CB 4.17Å; F95-F105 HydrophobicContact CE2-CB 4.47Å; F95-F105 HydrophobicContact CZ-CB 4.23Å; F100-F105 HydrophobicContact CD1-CB 3.9Å; F100-F105 HydrophobicContact CE1-CB 3.82Å; H103-F105 PolarHBondContact O-N 2.98Å; F105-I107 VanDerWaalsContact C-N 3.34Å; F105-V108 PolarHBondContact O-N 3.45Å; F105-A109 WeakPolarHBondContact O-CB 3.4Å; F105-A109 PolarHBondContact O-N 3.03Å; F105-Y276 HydrophobicContact CE1-CE2 4.35Å; F105-Y276 AromaticContact CE2-CE2 3.95Å; F105-Y276 HydrophobicContact CE2-CE2 3.95Å; F105-Y276 HydrophobicContact CZ-CD2 4.14Å; F105-Y276 AromaticContact CZ-CE2 3.36Å; F105-Y276 HydrophobicContact CZ-CE2 3.36Å; F105-Y276 AromaticContact CZ-CZ 3.88Å |
| 106 | E | 94.6 | Very high | 95.9 | Very high | 20 Ų | 20 | 19.2 Ų | 19.2 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 172.3 | -68.1 | -161.9 | 148.4 | 0 | 0 | 111.2 | L69 M110 R137 R140 Y276 | L69-E106 HydrophobicContact CD1-CG 4.34Å; E106-M110 WeakPolarHBondContact O-CG 3.41Å; E106-M110 PolarHBondContact O-N 3.19Å; E106-R137 IonicContact OE2-NE 3.57Å; E106-R140 IonicContact OE1-CZ 3.43Å; E106-R140 VanDerWaalsContact OE1-CZ 3.25Å; E106-R140 IonicContact OE1-NH1 2.71Å; E106-R140 PolarHBondContact OE1-NH1 3.36Å; E106-R140 IonicContact OE1-NH2 3.24Å; E106-R140 PolarHBondContact OE1-NH2 3Å; E106-Y276 VanDerWaalsContact CD-OH 3.27Å; E106-Y276 HydrophobicContact CG-CE2 4.43Å; E106-Y276 WeakPolarHBondContact OE1-CE2 3.28Å; E106-Y276 PolarHBondContact OE1-OH 2.9Å |
| 107 | I | 96.8 | Very high | 96 | Very high | 23 Ų | 23 | 18.2 Ų | 18.2 | 12% | 0.118 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 175.6 | -59.6 | -65.1 | 0 | 0 | 0 | 111.4 | S104 F105 M110 A111 T157 Q160 V161 A164 | S104-I107 PolarHBondContact O-N 3.22Å; F105-I107 VanDerWaalsContact C-N 3.34Å; I107-M110 HydrophobicContact CD1-CE 3.85Å; I107-A111 PolarHBondContact O-N 3.42Å; I107-T157 HydrophobicContact CD1-CG2 4.15Å; I107-Q160 HydrophobicContact CD1-CB 4.21Å; I107-Q160 HydrophobicContact CG2-CB 4.06Å; I107-V161 HydrophobicContact CD1-CG2 4.45Å; I107-V161 HydrophobicContact CG2-CG2 4.35Å; I107-A164 HydrophobicContact CG2-CB 3.79Å |
| 108 | V | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.4 | -38.3 | 177.8 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | F91 F94 F95 H103 S104 F105 A111 C112 V168 | F91-V108 HydrophobicContact CD2-CG1 4.1Å; F91-V108 HydrophobicContact CE2-CG1 4.37Å; F94-V108 HydrophobicContact CD1-CG1 3.7Å; F94-V108 HydrophobicContact CD1-CG2 4.37Å; F94-V108 HydrophobicContact CE1-CG1 4.03Å; F94-V108 HydrophobicContact CE1-CG2 3.85Å; F94-V108 HydrophobicContact CG-CG1 4.23Å; F94-V108 HydrophobicContact CZ-CG2 4.37Å; F95-V108 HydrophobicContact CD2-CG1 4.41Å; F95-V108 HydrophobicContact CE2-CB 3.8Å; F95-V108 HydrophobicContact CE2-CG1 3.52Å; F95-V108 HydrophobicContact CE2-CG2 4.28Å; F95-V108 HydrophobicContact CZ-CB 3.86Å; F95-V108 HydrophobicContact CZ-CG1 3.98Å; F95-V108 HydrophobicContact CZ-CG2 3.87Å; H103-V108 HydrophobicContact CB-CG2 4.1Å; S104-V108 WeakPolarHBondContact O-CG2 3.37Å; S104-V108 PolarHBondContact O-N 3.3Å; F105-V108 PolarHBondContact O-N 3.45Å; V108-A111 CarbonylContact O-C 3.52Å; V108-A111 WeakPolarHBondContact O-CB 3.43Å; V108-A111 PolarHBondContact O-N 2.92Å; V108-A111 VanDerWaalsContact O-N 3.11Å; V108-C112 PolarHBondContact O-N 2.86Å; V108-C112 PolarHBondContact O-SG 3.4Å; V108-C112 VanDerWaalsContact O-SG 3.34Å; V108-V168 HydrophobicContact CG1-CG2 4.35Å |
| 109 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I70 F91 F105 A111 C112 I113 F133 | I70-A109 HydrophobicContact CD1-CB 4.27Å; I70-A109 HydrophobicContact CG1-CB 3.94Å; F91-A109 HydrophobicContact CD2-CB 4.24Å; F91-A109 HydrophobicContact CE2-CB 3.96Å; F105-A109 WeakPolarHBondContact O-CB 3.4Å; F105-A109 PolarHBondContact O-N 3.03Å; A109-A111 VanDerWaalsContact C-N 3.3Å; A109-A111 PolarHBondContact O-N 3.21Å; A109-C112 PolarHBondContact O-N 3.48Å; A109-I113 WeakPolarHBondContact O-CG2 3.34Å; A109-I113 PolarHBondContact O-N 3.03Å; A109-F133 HydrophobicContact CB-CE1 3.8Å; A109-F133 HydrophobicContact CB-CZ 3.85Å |
| 110 | M | 98.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 22.6 Ų | 22.6 | 4% | 0.044 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.6 | -38.1 | 171.1 | -78.5 | -169.7 | -80.6 | 0 | 0 | 112.7 | E106 I107 N114 V129 I130 F133 T157 V161 | E106-M110 WeakPolarHBondContact O-CG 3.41Å; E106-M110 PolarHBondContact O-N 3.19Å; I107-M110 HydrophobicContact CD1-CE 3.85Å; M110-N114 WeakPolarHBondContact O-CB 3.31Å; M110-N114 PolarHBondContact O-N 3.23Å; M110-N114 VanDerWaalsContact O-N 3.16Å; M110-V129 HydrophobicContact CB-CG1 4.05Å; M110-V129 HydrophobicContact CG-CG1 3.94Å; M110-I130 HydrophobicContact SD-CB 4.42Å; M110-I130 HydrophobicContact SD-CG1 3.86Å; M110-F133 HydrophobicContact CE-CB 4.46Å; M110-F133 HydrophobicContact CG-CB 3.96Å; M110-F133 HydrophobicContact CG-CD1 3.56Å; M110-F133 HydrophobicContact CG-CD2 3.4Å; M110-F133 HydrophobicContact CG-CE1 3.81Å; M110-F133 HydrophobicContact CG-CE2 3.65Å; M110-F133 HydrophobicContact CG-CG 3.34Å; M110-F133 HydrophobicContact CG-CZ 3.85Å; M110-F133 HydrophobicContact SD-CB 3.68Å; M110-F133 HydrophobicContact SD-CD1 4.26Å; M110-F133 HydrophobicContact SD-CD2 4.19Å; M110-F133 HydrophobicContact SD-CG 3.79Å; M110-T157 HydrophobicContact CE-CG2 4.25Å; M110-V161 HydrophobicContact CB-CG1 4.15Å; M110-V161 HydrophobicContact CB-CG2 3.79Å; M110-V161 HydrophobicContact CE-CG2 3.99Å; M110-V161 HydrophobicContact SD-CG2 4.06Å |
| 111 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.8 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I107 V108 A109 N114 L115 V161 A164 E165 | I107-A111 PolarHBondContact O-N 3.42Å; V108-A111 CarbonylContact O-C 3.52Å; V108-A111 WeakPolarHBondContact O-CB 3.43Å; V108-A111 PolarHBondContact O-N 2.92Å; V108-A111 VanDerWaalsContact O-N 3.11Å; A109-A111 VanDerWaalsContact C-N 3.3Å; A109-A111 PolarHBondContact O-N 3.21Å; A111-N114 PolarHBondContact O-N 3.24Å; A111-L115 VanDerWaalsContact O-CB 3.23Å; A111-L115 WeakPolarHBondContact O-CB 3.36Å; A111-L115 PolarHBondContact O-N 2.94Å; A111-V161 HydrophobicContact CB-CG1 4.5Å; A111-A164 HydrophobicContact CB-CB 3.79Å; A111-E165 HydrophobicContact CB-CB 4.16Å |
| 112 | C | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 179.6 | -70 | 0 | 0 | 0 | 0 | 112.1 | I70 F91 V108 A109 L115 A116 | I70-C112 HydrophobicContact CD1-CB 4.38Å; F91-C112 HydrophobicContact CB-CB 4.35Å; V108-C112 PolarHBondContact O-N 2.86Å; V108-C112 PolarHBondContact O-SG 3.4Å; V108-C112 VanDerWaalsContact O-SG 3.34Å; A109-C112 PolarHBondContact O-N 3.48Å; C112-L115 PolarHBondContact O-N 2.98Å; C112-A116 VanDerWaalsContact O-CB 3.26Å; C112-A116 WeakPolarHBondContact O-CB 3.32Å; C112-A116 PolarHBondContact O-N 3.23Å |
| 113 | I | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.8 | -35.7 | 178.1 | -160.6 | 171.8 | 0 | 0 | 0 | 112.5 | I70 A73 L77 L79 A109 S117 V129 F133 | I70-I113 HydrophobicContact CG2-CB 4.42Å; I70-I113 HydrophobicContact CG2-CD1 4.24Å; I70-I113 HydrophobicContact CG2-CG1 4.37Å; I70-I113 WeakPolarHBondContact O-CD1 3.3Å; A73-I113 HydrophobicContact CB-CD1 3.82Å; L77-I113 HydrophobicContact CD1-CD1 4.07Å; L79-I113 HydrophobicContact CD1-CD1 3.98Å; L79-I113 HydrophobicContact CD1-CG1 3.7Å; A109-I113 WeakPolarHBondContact O-CG2 3.34Å; A109-I113 PolarHBondContact O-N 3.03Å; I113-S117 WeakPolarHBondContact O-CB 3.43Å; I113-S117 PolarHBondContact O-N 2.85Å; I113-V129 HydrophobicContact CG2-CG1 3.78Å; I113-F133 HydrophobicContact CG2-CE2 4.15Å |
| 114 | N | 97.7 | Very high | 96.6 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 173.8 | -170.7 | 87.7 | 0 | 0 | 0 | 111.2 | M110 A111 S117 K118 I126 V129 E165 | M110-N114 WeakPolarHBondContact O-CB 3.31Å; M110-N114 PolarHBondContact O-N 3.23Å; M110-N114 VanDerWaalsContact O-N 3.16Å; A111-N114 PolarHBondContact O-N 3.24Å; N114-S117 PolarHBondContact O-OG 3.4Å; N114-K118 WeakPolarHBondContact O-CE 3.38Å; N114-I126 WeakPolarHBondContact OD1-CG1 3.49Å; N114-V129 HydrophobicContact CB-CG2 4.44Å; N114-E165 PolarHBondContact ND2-OE1 2.67Å |
| 115 | L | 97.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.6 | -51.1 | 175.7 | 179.2 | 54.9 | 0 | 0 | 0 | 111.7 | L90 A111 C112 S117 K118 I119 E165 V168 L169 V176 | L90-L115 HydrophobicContact CD1-CD2 4.26Å; L90-L115 HydrophobicContact CD1-CG 4.29Å; A111-L115 VanDerWaalsContact O-CB 3.23Å; A111-L115 WeakPolarHBondContact O-CB 3.36Å; A111-L115 PolarHBondContact O-N 2.94Å; C112-L115 PolarHBondContact O-N 2.98Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.29Å; L115-K118 WeakPolarHBondContact O-CB 3.16Å; L115-K118 PolarHBondContact O-N 2.79Å; L115-I119 HydrophobicContact CD1-CD1 4.05Å; L115-I119 HydrophobicContact CD1-CG1 4.4Å; L115-I119 HydrophobicContact CG-CD1 3.82Å; L115-I119 PolarHBondContact O-N 3.48Å; L115-I119 VanDerWaalsContact O-N 3.11Å; L115-E165 HydrophobicContact CB-CG 4.38Å; L115-V168 HydrophobicContact CD2-CB 4.28Å; L115-V168 HydrophobicContact CD2-CG1 3.76Å; L115-L169 HydrophobicContact CD1-CD1 4.39Å; L115-L169 HydrophobicContact CD1-CD2 4.02Å; L115-L169 HydrophobicContact CD1-CG 4.26Å; L115-L169 HydrophobicContact CD2-CD2 4.14Å; L115-L169 HydrophobicContact CD2-CG 4.07Å; L115-V176 HydrophobicContact CD2-CG1 4.43Å |
| 116 | A | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A83 T86 L90 C112 K118 I119 E120 | A83-A116 VanDerWaalsContact O-CB 3.3Å; A83-A116 WeakPolarHBondContact O-CB 3.45Å; T86-A116 HydrophobicContact CG2-CB 3.88Å; L90-A116 HydrophobicContact CD1-CB 4.4Å; C112-A116 VanDerWaalsContact O-CB 3.26Å; C112-A116 WeakPolarHBondContact O-CB 3.32Å; C112-A116 PolarHBondContact O-N 3.23Å; A116-K118 PolarHBondContact O-N 3.47Å; A116-I119 PolarHBondContact O-N 3.07Å; A116-I119 VanDerWaalsContact O-N 3.13Å; A116-E120 PolarHBondContact O-N 2.86Å |
| 117 | S | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -26.8 | 174.5 | 79.1 | 0 | 0 | 0 | 0 | 113.4 | I113 N114 L115 A122 P123 R124 | I113-S117 WeakPolarHBondContact O-CB 3.43Å; I113-S117 PolarHBondContact O-N 2.85Å; N114-S117 PolarHBondContact O-OG 3.4Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.29Å; S117-A122 CarbonylContact O-C 3.58Å; S117-A122 WeakPolarHBondContact O-CA 3.2Å; S117-A122 PolarHBondContact O-N 3.47Å; S117-P123 VanDerWaalsContact O-CA 3.3Å; S117-P123 WeakPolarHBondContact O-CA 3.24Å; S117-R124 PolarHBondContact OG-N 2.92Å |
| 118 | K | 97 | Very high | 96.8 | Very high | 82 Ų | 82 | 45.8 Ų | 45.8 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -86 | -32.9 | 174.6 | -66.8 | 175.5 | -71.2 | 174.8 | 0 | 112.8 | N114 L115 A116 E121 P123 E165 | N114-K118 WeakPolarHBondContact O-CE 3.38Å; L115-K118 WeakPolarHBondContact O-CB 3.16Å; L115-K118 PolarHBondContact O-N 2.79Å; A116-K118 PolarHBondContact O-N 3.47Å; K118-E121 PolarHBondContact O-N 2.88Å; K118-P123 HydrophobicContact CG-CB 4.21Å; K118-E165 VanDerWaalsContact CE-OE1 3.25Å; K118-E165 WeakPolarHBondContact CE-OE1 3.44Å; K118-E165 IonicContact NZ-OE1 2.63Å; K118-E165 PolarHBondContact NZ-OE1 2.89Å; K118-E165 IonicContact NZ-OE2 3.1Å; K118-E165 PolarHBondContact NZ-OE2 2.68Å |
| 119 | I | 95.8 | Very high | 96.8 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 26% | 0.256 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.7 | -41.1 | 179.1 | -66.8 | 161.6 | 0 | 0 | 0 | 110.8 | T86 L90 L115 A116 E121 V176 | T86-I119 HydrophobicContact CG2-CD1 4.41Å; T86-I119 HydrophobicContact CG2-CG2 4.4Å; L90-I119 HydrophobicContact CD1-CD1 3.81Å; L115-I119 HydrophobicContact CD1-CD1 4.05Å; L115-I119 HydrophobicContact CD1-CG1 4.4Å; L115-I119 HydrophobicContact CG-CD1 3.82Å; L115-I119 PolarHBondContact O-N 3.48Å; L115-I119 VanDerWaalsContact O-N 3.11Å; A116-I119 PolarHBondContact O-N 3.07Å; A116-I119 VanDerWaalsContact O-N 3.13Å; I119-E121 VanDerWaalsContact C-N 3.27Å; I119-E121 PolarHBondContact O-N 3.32Å; I119-V176 HydrophobicContact CD1-CB 3.66Å; I119-V176 HydrophobicContact CD1-CG1 4.47Å; I119-V176 HydrophobicContact CD1-CG2 3.62Å; I119-V176 HydrophobicContact CG1-CG2 4.05Å |
| 120 | E | 95.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 46 Ų | 46 | 27% | 0.271 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 24.9 | 178.5 | -49.3 | -56.3 | 151.4 | 0 | 0 | 113.3 | V82 A83 T86 A116 A122 | V82-E120 HydrophobicContact CG1-CG 4.32Å; V82-E120 WeakPolarHBondContact CG1-OE2 3.45Å; A83-E120 HydrophobicContact CB-CB 3.96Å; A83-E120 HydrophobicContact CB-CG 3.73Å; T86-E120 WeakPolarHBondContact CB-OE1 3.49Å; T86-E120 WeakPolarHBondContact CG2-OE1 3.3Å; T86-E120 PolarHBondContact OG1-OE1 3.22Å; A116-E120 PolarHBondContact O-N 2.86Å; E120-A122 PolarHBondContact O-N 2.91Å |
| 121 | E | 94.8 | Very high | 96.5 | Very high | 166 Ų | 166 | 48.1 Ų | 48.1 | 78% | 0.776 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 28.7 | 178.7 | -64.9 | -60.3 | 157.5 | 0 | 0 | 115.7 | K118 I119 P123 | K118-E121 PolarHBondContact O-N 2.88Å; I119-E121 VanDerWaalsContact C-N 3.27Å; I119-E121 PolarHBondContact O-N 3.32Å; E121-P123 WeakPolarHBondContact O-CD 3.35Å |
| 122 | A | 96.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | trans | -119.4 | 46.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L79 P80 S117 E120 R124 | L79-A122 HydrophobicContact CD2-CB 4.16Å; L79-A122 VanDerWaalsContact CD2-O 3.31Å; L79-A122 WeakPolarHBondContact CD2-O 3.47Å; P80-A122 HydrophobicContact CG-CB 4.19Å; S117-A122 CarbonylContact O-C 3.58Å; S117-A122 WeakPolarHBondContact O-CA 3.2Å; S117-A122 PolarHBondContact O-N 3.47Å; E120-A122 PolarHBondContact O-N 2.91Å; A122-R124 PolarHBondContact O-NH1 2.86Å | ||
| 123 | P | 96.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 49% | 0.494 | 23% | 0.23 | S | C | . | . | trans | -61.5 | 147.7 | -163.2 | 23.6 | -35.2 | 0 | 0 | 0 | 113.7 | S117 K118 E121 | S117-P123 VanDerWaalsContact O-CA 3.3Å; S117-P123 WeakPolarHBondContact O-CA 3.24Å; K118-P123 HydrophobicContact CG-CB 4.21Å; E121-P123 WeakPolarHBondContact O-CD 3.35Å | ||
| 124 | R | 96.3 | Very high | 96 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 32% | 0.317 | 24% | 0.242 | S | C | . | . | trans | -123.2 | 156.4 | 173.4 | -61.9 | -67.6 | 175.9 | -94.1 | 1.1 | 110.1 | L77 R78 L79 S117 A122 V129 | L77-R124 HydrophobicContact CB-CG 4.4Å; L77-R124 PolarHBondContact O-NE 3.36Å; R78-R124 PolarHBondContact O-NH2 3.48Å; L79-R124 HydrophobicContact CD2-CG 3.78Å; L79-R124 HydrophobicContact CG-CG 4.34Å; S117-R124 PolarHBondContact OG-N 2.92Å; A122-R124 PolarHBondContact O-NH1 2.86Å; R124-V129 HydrophobicContact CB-CG2 4.44Å | ||
| 125 | R | 95.6 | Very high | 95.7 | Very high | 196 Ų | 196 | 54.9 Ų | 54.9 | 74% | 0.74 | 26% | 0.255 | S | S | * | . | trans | -79.5 | 138.2 | 177.9 | -52.3 | 172.8 | 168 | 179.6 | -4.2 | 108.6 | R127 D128 V129 | R125-R127 PolarHBondContact O-N 3.43Å; R125-D128 VanDerWaalsContact CB-OD2 3.27Å; R125-D128 WeakPolarHBondContact CB-OD2 3.31Å; R125-D128 WeakPolarHBondContact O-CA 3.3Å; R125-D128 WeakPolarHBondContact O-CB 3.44Å; R125-D128 PolarHBondContact O-N 3.03Å; R125-V129 PolarHBondContact O-N 3.32Å | ||
| 126 | I | 95.7 | Very high | 95.4 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 19% | 0.185 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -52.8 | -33 | 177.3 | -63.9 | 165.6 | 0 | 0 | 0 | 112 | N114 D128 V129 I130 K158 V161 I162 | N114-I126 WeakPolarHBondContact OD1-CG1 3.49Å; I126-D128 VanDerWaalsContact C-N 3.33Å; I126-D128 PolarHBondContact O-N 3.06Å; I126-V129 PolarHBondContact O-N 3.1Å; I126-I130 HydrophobicContact CG2-CD1 3.76Å; I126-I130 HydrophobicContact CG2-CG1 4.39Å; I126-I130 VanDerWaalsContact O-CG1 3.28Å; I126-I130 WeakPolarHBondContact O-CG1 3.39Å; I126-I130 PolarHBondContact O-N 3.07Å; I126-K158 HydrophobicContact CG2-CG 4.12Å; I126-V161 HydrophobicContact CG2-CG1 4.36Å; I126-I162 HydrophobicContact CD1-CD1 4.15Å; I126-I162 HydrophobicContact CD1-CG1 3.76Å |
| 127 | R | 95.3 | Very high | 95 | Very high | 113 Ų | 113 | 61.6 Ų | 61.6 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 174 | -179.2 | 174.2 | 177.1 | 170.7 | -4.8 | 112.2 | R125 I130 N131 Y154 | R125-R127 PolarHBondContact O-N 3.43Å; R127-I130 PolarHBondContact O-N 3.1Å; R127-N131 WeakPolarHBondContact O-CB 3.25Å; R127-N131 PolarHBondContact O-N 3.34Å; R127-N131 PolarHBondContact O-ND2 3.06Å; R127-N131 PolarHBondContact O-OD1 3.45Å; R127-Y154 HydrophobicContact CG-CE2 4.49Å |
| 128 | D | 95.7 | Very high | 94.4 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72.3 | -37.8 | -175.8 | -49 | -27.1 | 0 | 0 | 0 | 109.9 | L77 R125 I126 N131 V132 | L77-D128 HydrophobicContact CD2-CB 4.07Å; R125-D128 VanDerWaalsContact CB-OD2 3.27Å; R125-D128 WeakPolarHBondContact CB-OD2 3.31Å; R125-D128 WeakPolarHBondContact O-CA 3.3Å; R125-D128 WeakPolarHBondContact O-CB 3.44Å; R125-D128 PolarHBondContact O-N 3.03Å; I126-D128 VanDerWaalsContact C-N 3.33Å; I126-D128 PolarHBondContact O-N 3.06Å; D128-N131 WeakPolarHBondContact O-CB 3.47Å; D128-N131 PolarHBondContact O-N 2.96Å; D128-V132 WeakPolarHBondContact O-CB 3.44Å; D128-V132 WeakPolarHBondContact O-CG2 3.2Å; D128-V132 PolarHBondContact O-N 3Å |
| 129 | V | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 170.5 | -178.5 | 0 | 0 | 0 | 0 | 111 | L77 M110 I113 N114 R124 R125 I126 V132 F133 | L77-V129 HydrophobicContact CD1-CG2 3.96Å; L77-V129 HydrophobicContact CD2-CG2 4.5Å; M110-V129 HydrophobicContact CB-CG1 4.05Å; M110-V129 HydrophobicContact CG-CG1 3.94Å; I113-V129 HydrophobicContact CG2-CG1 3.78Å; N114-V129 HydrophobicContact CB-CG2 4.44Å; R124-V129 HydrophobicContact CB-CG2 4.44Å; R125-V129 PolarHBondContact O-N 3.32Å; I126-V129 PolarHBondContact O-N 3.1Å; V129-V132 PolarHBondContact O-N 3.39Å; V129-F133 HydrophobicContact CG1-CD2 4.19Å; V129-F133 HydrophobicContact CG1-CE2 4.27Å; V129-F133 WeakPolarHBondContact O-CD2 3.21Å; V129-F133 PolarHBondContact O-N 3.48Å |
| 130 | I | 96.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 179.4 | -63 | 165 | 0 | 0 | 0 | 111.5 | M110 I126 R127 V132 F133 H134 L148 Y154 T157 K158 | M110-I130 HydrophobicContact SD-CB 4.42Å; M110-I130 HydrophobicContact SD-CG1 3.86Å; I126-I130 HydrophobicContact CG2-CD1 3.76Å; I126-I130 HydrophobicContact CG2-CG1 4.39Å; I126-I130 VanDerWaalsContact O-CG1 3.28Å; I126-I130 WeakPolarHBondContact O-CG1 3.39Å; I126-I130 PolarHBondContact O-N 3.07Å; R127-I130 PolarHBondContact O-N 3.1Å; I130-V132 VanDerWaalsContact C-N 3.29Å; I130-V132 PolarHBondContact O-N 3.47Å; I130-F133 PolarHBondContact O-N 2.84Å; I130-H134 VanDerWaalsContact O-CB 3.27Å; I130-H134 WeakPolarHBondContact O-CB 3.44Å; I130-H134 PolarHBondContact O-N 3.4Å; I130-L148 HydrophobicContact CG2-CD2 3.79Å; I130-Y154 HydrophobicContact CD1-CD2 4.45Å; I130-Y154 HydrophobicContact CD1-CE2 4.03Å; I130-Y154 HydrophobicContact CG2-CD2 4.14Å; I130-Y154 HydrophobicContact CG2-CE2 4.35Å; I130-T157 HydrophobicContact CD1-CG2 4.49Å; I130-T157 HydrophobicContact CG2-CG2 4.3Å; I130-K158 HydrophobicContact CD1-CB 3.89Å; I130-K158 HydrophobicContact CD1-CG 4.44Å |
| 131 | N | 94.9 | Very high | 92.3 | Very high | 52 Ų | 52 | 64 Ų | 64 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.9 | -45 | 172.9 | -71.6 | -20.9 | 0 | 0 | 0 | 111.2 | R127 D128 H134 H135 L148 | R127-N131 WeakPolarHBondContact O-CB 3.25Å; R127-N131 PolarHBondContact O-N 3.34Å; R127-N131 PolarHBondContact O-ND2 3.06Å; R127-N131 PolarHBondContact O-OD1 3.45Å; D128-N131 WeakPolarHBondContact O-CB 3.47Å; D128-N131 PolarHBondContact O-N 2.96Å; N131-H134 PolarHBondContact O-N 3.49Å; N131-H135 PolarHBondContact O-N 2.96Å; N131-L148 WeakPolarHBondContact OD1-CD2 3.41Å |
| 132 | V | 95.3 | Very high | 91.3 | Very high | 21 Ų | 21 | 65.5 Ų | 65.5 | 13% | 0.127 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.4 | -44.1 | -178.6 | 163.7 | 0 | 0 | 0 | 0 | 111.7 | A73 L76 L77 D128 V129 I130 H134 H135 L136 | A73-V132 HydrophobicContact CB-CG1 3.72Å; L76-V132 HydrophobicContact CB-CG1 3.77Å; L76-V132 HydrophobicContact CB-CG2 4.04Å; L76-V132 HydrophobicContact CD1-CG1 3.89Å; L76-V132 HydrophobicContact CG-CG1 4.49Å; L77-V132 HydrophobicContact CD2-CB 4.42Å; L77-V132 HydrophobicContact CD2-CG2 3.85Å; L77-V132 HydrophobicContact CG-CB 4.41Å; L77-V132 HydrophobicContact CG-CG1 4.44Å; L77-V132 HydrophobicContact CG-CG2 4.06Å; D128-V132 WeakPolarHBondContact O-CB 3.44Å; D128-V132 WeakPolarHBondContact O-CG2 3.2Å; D128-V132 PolarHBondContact O-N 3Å; V129-V132 PolarHBondContact O-N 3.39Å; I130-V132 VanDerWaalsContact C-N 3.29Å; I130-V132 PolarHBondContact O-N 3.47Å; V132-H134 PolarHBondContact O-N 2.97Å; V132-H135 PolarHBondContact O-N 2.85Å; V132-L136 HydrophobicContact CG1-CD1 4.11Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 3.22Å |
| 133 | F | 94.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 72 Ų | 72 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 175.1 | -88.1 | -107.5 | 0 | 0 | 0 | 112.5 | L69 A73 A109 M110 I113 V129 I130 H135 L136 R137 | L69-F133 HydrophobicContact CB-CE1 4.22Å; A73-F133 HydrophobicContact CB-CD2 3.92Å; A73-F133 HydrophobicContact CB-CE2 3.34Å; A73-F133 HydrophobicContact CB-CZ 4.02Å; A109-F133 HydrophobicContact CB-CE1 3.8Å; A109-F133 HydrophobicContact CB-CZ 3.85Å; M110-F133 HydrophobicContact CE-CB 4.46Å; M110-F133 HydrophobicContact CG-CB 3.96Å; M110-F133 HydrophobicContact CG-CD1 3.56Å; M110-F133 HydrophobicContact CG-CD2 3.4Å; M110-F133 HydrophobicContact CG-CE1 3.81Å; M110-F133 HydrophobicContact CG-CE2 3.65Å; M110-F133 HydrophobicContact CG-CG 3.34Å; M110-F133 HydrophobicContact CG-CZ 3.85Å; M110-F133 HydrophobicContact SD-CB 3.68Å; M110-F133 HydrophobicContact SD-CD1 4.26Å; M110-F133 HydrophobicContact SD-CD2 4.19Å; M110-F133 HydrophobicContact SD-CG 3.79Å; I113-F133 HydrophobicContact CG2-CE2 4.15Å; V129-F133 HydrophobicContact CG1-CD2 4.19Å; V129-F133 HydrophobicContact CG1-CE2 4.27Å; V129-F133 WeakPolarHBondContact O-CD2 3.21Å; V129-F133 PolarHBondContact O-N 3.48Å; I130-F133 PolarHBondContact O-N 2.84Å; F133-H135 PolarHBondContact O-N 3.09Å; F133-L136 PolarHBondContact O-N 2.93Å; F133-R137 WeakPolarHBondContact O-CB 3.49Å; F133-R137 PolarHBondContact O-N 3.46Å |
| 134 | H | 92.4 | Very high | 89.2 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 171.9 | -178.8 | -110.2 | 0 | 0 | 0 | 111.5 | I130 N131 V132 R137 Q138 S146 L148 | I130-H134 VanDerWaalsContact O-CB 3.27Å; I130-H134 WeakPolarHBondContact O-CB 3.44Å; I130-H134 PolarHBondContact O-N 3.4Å; N131-H134 PolarHBondContact O-N 3.49Å; V132-H134 PolarHBondContact O-N 2.97Å; H134-R137 PolarHBondContact O-N 3.49Å; H134-Q138 PolarHBondContact CE1-NE2 3.44Å; H134-Q138 PolarHBondContact ND1-NE2 3.39Å; H134-Q138 WeakPolarHBondContact O-CG 3.42Å; H134-Q138 PolarHBondContact O-N 3.29Å; H134-Q138 VanDerWaalsContact O-N 3.08Å; H134-S146 PolarHBondContact CE1-O 3.36Å; H134-L148 HydrophobicContact CB-CD1 4.16Å |
| 135 | H | 91.6 | Very high | 88.1 | Confident | 65 Ų | 65 | 74.8 Ų | 74.8 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 176.4 | -176.1 | 52.8 | 0 | 0 | 0 | 112.7 | N131 V132 F133 R137 Q138 L139 | N131-H135 PolarHBondContact O-N 2.96Å; V132-H135 PolarHBondContact O-N 2.85Å; F133-H135 PolarHBondContact O-N 3.09Å; H135-R137 VanDerWaalsContact C-N 3.26Å; H135-R137 PolarHBondContact O-N 3.48Å; H135-Q138 WeakPolarHBondContact O-CB 3.46Å; H135-Q138 PolarHBondContact O-N 2.97Å; H135-Q138 VanDerWaalsContact O-N 3.13Å; H135-L139 WeakPolarHBondContact O-CG 3.42Å; H135-L139 PolarHBondContact O-N 3.24Å |
| 136 | L | 91.6 | Very high | 87.3 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -38 | 175.1 | -72.2 | 170.6 | 0 | 0 | 0 | 112.2 | A72 A73 L76 V132 F133 R140 | A72-L136 HydrophobicContact CB-CD1 4.22Å; A72-L136 HydrophobicContact CB-CD2 3.91Å; A73-L136 HydrophobicContact CB-CD1 3.9Å; L76-L136 HydrophobicContact CD1-CD1 4.46Å; L76-L136 HydrophobicContact CD1-CD2 3.75Å; L76-L136 HydrophobicContact CD1-CG 3.97Å; V132-L136 HydrophobicContact CG1-CD1 4.11Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 3.22Å; F133-L136 PolarHBondContact O-N 2.93Å; L136-R140 WeakPolarHBondContact O-CB 3.46Å; L136-R140 WeakPolarHBondContact O-CD 3.36Å; L136-R140 WeakPolarHBondContact O-CG 3.39Å; L136-R140 PolarHBondContact O-N 3.25Å; L136-R140 VanDerWaalsContact O-N 3.08Å |
| 137 | R | 88.6 | Confident | 86.5 | Confident | 131 Ų | 131 | 72.2 Ų | 72.2 | 49% | 0.494 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 176.1 | -163.6 | 173.6 | -168.5 | -157.3 | 6.5 | 112.4 | E106 F133 H134 H135 G141 E280 | E106-R137 IonicContact OE2-NE 3.57Å; F133-R137 WeakPolarHBondContact O-CB 3.49Å; F133-R137 PolarHBondContact O-N 3.46Å; H134-R137 PolarHBondContact O-N 3.49Å; H135-R137 VanDerWaalsContact C-N 3.26Å; H135-R137 PolarHBondContact O-N 3.48Å; R137-G141 PolarHBondContact O-N 2.68Å; R137-G141 VanDerWaalsContact O-N 3.08Å; R137-E280 IonicContact NH2-OE1 2.7Å |
| 138 | Q | 86.6 | Confident | 86 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 174.1 | -70.3 | 168.7 | -18.5 | 0 | 0 | 112.3 | H134 H135 R140 G141 K142 K143 S146 | H134-Q138 PolarHBondContact CE1-NE2 3.44Å; H134-Q138 PolarHBondContact ND1-NE2 3.39Å; H134-Q138 WeakPolarHBondContact O-CG 3.42Å; H134-Q138 PolarHBondContact O-N 3.29Å; H134-Q138 VanDerWaalsContact O-N 3.08Å; H135-Q138 WeakPolarHBondContact O-CB 3.46Å; H135-Q138 PolarHBondContact O-N 2.97Å; H135-Q138 VanDerWaalsContact O-N 3.13Å; Q138-R140 PolarHBondContact O-N 2.91Å; Q138-G141 CarbonylContact O-C 3.55Å; Q138-G141 PolarHBondContact O-N 3.19Å; Q138-G141 VanDerWaalsContact O-N 3.16Å; Q138-K142 PolarHBondContact O-N 2.76Å; Q138-K143 PolarHBondContact O-N 2.89Å; Q138-S146 VanDerWaalsContact NE2-N 3.13Å; Q138-S146 PolarHBondContact NE2-O 2.75Å; Q138-S146 PolarHBondContact NE2-OG 2.89Å |
| 139 | L | 84.7 | Confident | 85.4 | Confident | 100 Ų | 100 | 72 Ų | 72 | 52% | 0.524 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.8 | -48.1 | 177.6 | -70.5 | 175.3 | 0 | 0 | 0 | 111.2 | H135 G141 K142 | H135-L139 WeakPolarHBondContact O-CG 3.42Å; H135-L139 PolarHBondContact O-N 3.24Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.41Å; L139-K142 PolarHBondContact O-N 3.45Å |
| 140 | R | 81.6 | Confident | 85 | Confident | 85 Ų | 85 | 76.1 Ų | 76.1 | 32% | 0.321 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 174.5 | -83.7 | 161.5 | 36.9 | -146.3 | -13.1 | 112.6 | E106 L136 Q138 K142 Y276 | E106-R140 IonicContact OE1-CZ 3.43Å; E106-R140 VanDerWaalsContact OE1-CZ 3.25Å; E106-R140 IonicContact OE1-NH1 2.71Å; E106-R140 PolarHBondContact OE1-NH1 3.36Å; E106-R140 IonicContact OE1-NH2 3.24Å; E106-R140 PolarHBondContact OE1-NH2 3Å; L136-R140 WeakPolarHBondContact O-CB 3.46Å; L136-R140 WeakPolarHBondContact O-CD 3.36Å; L136-R140 WeakPolarHBondContact O-CG 3.39Å; L136-R140 PolarHBondContact O-N 3.25Å; L136-R140 VanDerWaalsContact O-N 3.08Å; Q138-R140 PolarHBondContact O-N 2.91Å; R140-K142 PolarHBondContact O-N 3.38Å; R140-Y276 VanDerWaalsContact CZ-CD2 3.45Å; R140-Y276 VanDerWaalsContact CZ-CE2 3.44Å; R140-Y276 VanDerWaalsContact NH2-CE1 3.25Å |
| 141 | G | 76.4 | Confident | 84.7 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 40% | 0.402 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 5.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R137 Q138 L139 K143 | R137-G141 PolarHBondContact O-N 2.68Å; R137-G141 VanDerWaalsContact O-N 3.08Å; Q138-G141 CarbonylContact O-C 3.55Å; Q138-G141 PolarHBondContact O-N 3.19Å; Q138-G141 VanDerWaalsContact O-N 3.16Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.41Å; G141-K143 WeakPolarHBondContact O-CG 3.35Å; G141-K143 PolarHBondContact O-N 3.01Å; G141-K143 VanDerWaalsContact O-N 3.09Å |
| 142 | K | 74.9 | Confident | 84.6 | Confident | 198 Ų | 198 | 81.4 Ų | 81.4 | 86% | 0.861 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 26.5 | -172.9 | -58.2 | -178.3 | 179.7 | 178.8 | 0 | 114 | Q138 L139 R140 | Q138-K142 PolarHBondContact O-N 2.76Å; L139-K142 PolarHBondContact O-N 3.45Å; R140-K142 PolarHBondContact O-N 3.38Å |
| 143 | K | 74.8 | Confident | 84.4 | Confident | 153 Ų | 153 | 85.3 Ų | 85.3 | 67% | 0.665 | 44% | 0.442 | S | S | * | . | trans | -85.3 | 150.5 | -179.2 | -61 | -169.3 | 178.6 | -176.9 | 0 | 110.1 | Q138 G141 | Q138-K143 PolarHBondContact O-N 2.89Å; G141-K143 WeakPolarHBondContact O-CG 3.35Å; G141-K143 PolarHBondContact O-N 3.01Å; G141-K143 VanDerWaalsContact O-N 3.09Å | ||
| 144 | T | 72.6 | Confident | 84.3 | Confident | 125 Ų | 125 | 86.3 Ų | 86.3 | 77% | 0.767 | 45% | 0.446 | S | S | * | . | trans | -57.6 | 133.3 | 168.8 | 42.8 | 0 | 0 | 0 | 0 | 109.4 | S146 | T144-S146 PolarHBondContact O-N 3.09Š| ||
| 145 | P | 73.3 | Confident | 84.4 | Confident | 95 Ų | 95 | 87 Ų | 87 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | trans | -72.2 | 106.3 | -174.7 | 27.4 | -33.6 | 0 | 0 | 0 | 110.4 | ||||
| 146 | S | 79.1 | Confident | 84.6 | Confident | 64 Ų | 64 | 87.1 Ų | 87.1 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | trans | -98.7 | 147.6 | 176.9 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | H134 Q138 T144 | H134-S146 PolarHBondContact CE1-O 3.36Å; Q138-S146 VanDerWaalsContact NE2-N 3.13Å; Q138-S146 PolarHBondContact NE2-O 2.75Å; Q138-S146 PolarHBondContact NE2-OG 2.89Å; T144-S146 PolarHBondContact O-N 3.09Å | ||
| 147 | P | 80.2 | Confident | 84.8 | Confident | 113 Ų | 113 | 88.2 Ų | 88.2 | 73% | 0.734 | 46% | 0.461 | S | S | * | . | trans | -57.8 | 147.1 | 174.3 | -24.4 | 34.6 | 0 | 0 | 0 | 112.5 | I149 | P147-I149 PolarHBondContact O-N 3.03Š| ||
| 148 | L | 83.4 | Confident | 85.1 | Confident | 35 Ų | 35 | 85.9 Ų | 85.9 | 18% | 0.183 | 46% | 0.455 | C | S | . | . | trans | -67.9 | 115.7 | 171.1 | -179.7 | 68.3 | 0 | 0 | 0 | 109.8 | I130 N131 H134 Y154 | I130-L148 HydrophobicContact CG2-CD2 3.79Å; N131-L148 WeakPolarHBondContact OD1-CD2 3.41Å; H134-L148 HydrophobicContact CB-CD1 4.16Å; L148-Y154 HydrophobicContact CD2-CD2 3.76Å; L148-Y154 HydrophobicContact CD2-CE2 4.14Å | ||
| 149 | I | 83.6 | Confident | 85.6 | Confident | 128 Ų | 128 | 88.6 Ų | 88.6 | 66% | 0.656 | 47% | 0.47 | S | S | * | . | trans | -72.8 | 134.9 | 174.1 | -54.6 | 176.4 | 0 | 0 | 0 | 108.6 | P147 D151 | P147-I149 PolarHBondContact O-N 3.03Å; I149-D151 HydrophobicContact CG2-CB 4.09Å; I149-D151 PolarHBondContact O-N 3.35Å; I149-D151 VanDerWaalsContact O-N 3.1Å | ||
| 150 | L | 89.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 88.6 Ų | 88.6 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | trans | -88.3 | 53.2 | -178.6 | -56.6 | 179.6 | 0 | 0 | 0 | 111.6 | Y154 | L150-Y154 HydrophobicContact CB-CD1 4.25Å; L150-Y154 HydrophobicContact CD2-CD1 3.81Å; L150-Y154 HydrophobicContact CD2-CE1 3.77Å; L150-Y154 HydrophobicContact CD2-CG 4.21Å | ||
| 151 | D | 89.3 | Confident | 87 | Confident | 58 Ų | 58 | 84.6 Ų | 84.6 | 31% | 0.31 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -87.1 | -172.5 | -176.4 | 75.1 | -19.7 | 0 | 0 | 0 | 113 | I149 N153 Y154 I155 | I149-D151 HydrophobicContact CG2-CB 4.09Å; I149-D151 PolarHBondContact O-N 3.35Å; I149-D151 VanDerWaalsContact O-N 3.1Å; D151-N153 VanDerWaalsContact CG-N 3.33Å; D151-N153 PolarHBondContact O-N 3.22Å; D151-N153 WeakPolarHBondContact OD1-CA 3.32Å; D151-N153 WeakPolarHBondContact OD1-CB 3.18Å; D151-N153 PolarHBondContact OD1-N 3.14Å; D151-N153 WeakPolarHBondContact OD2-CB 3.21Å; D151-N153 PolarHBondContact OD2-N 3.49Å; D151-N153 PolarHBondContact OD2-ND2 3.3Å; D151-Y154 PolarHBondContact O-N 2.91Å; D151-Y154 PolarHBondContact OD1-N 3.48Å; D151-I155 WeakPolarHBondContact O-CG1 3.32Å; D151-I155 PolarHBondContact O-N 2.93Å; D151-I155 VanDerWaalsContact O-N 3.14Å |
| 152 | Q | 92.1 | Very high | 88 | Confident | 112 Ų | 112 | 84.5 Ų | 84.5 | 52% | 0.523 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -28.7 | 174.1 | -171.1 | 57.5 | 48.4 | 0 | 0 | 112.3 | I155 N156 | Q152-I155 PolarHBondContact O-N 3.3Å; Q152-N156 PolarHBondContact NE2-OD1 3.44Å; Q152-N156 WeakPolarHBondContact O-CB 3.46Å; Q152-N156 PolarHBondContact O-N 3.46Å; Q152-N156 PolarHBondContact O-ND2 2.91Å; Q152-N156 PolarHBondContact O-OD1 2.95Å |
| 153 | N | 90.6 | Very high | 89 | Confident | 103 Ų | 103 | 82.1 Ų | 82.1 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.4 | -39 | 176.8 | -61.5 | -58.9 | 0 | 0 | 0 | 111.8 | D151 N156 T157 | D151-N153 VanDerWaalsContact CG-N 3.33Å; D151-N153 PolarHBondContact O-N 3.22Å; D151-N153 WeakPolarHBondContact OD1-CA 3.32Å; D151-N153 WeakPolarHBondContact OD1-CB 3.18Å; D151-N153 PolarHBondContact OD1-N 3.14Å; D151-N153 WeakPolarHBondContact OD2-CB 3.21Å; D151-N153 PolarHBondContact OD2-N 3.49Å; D151-N153 PolarHBondContact OD2-ND2 3.3Å; N153-N156 PolarHBondContact O-N 3.16Å; N153-T157 VanDerWaalsContact O-CB 3.32Å; N153-T157 WeakPolarHBondContact O-CB 3.27Å; N153-T157 PolarHBondContact O-N 2.82Å; N153-T157 PolarHBondContact O-OG1 3.43Å |
| 154 | Y | 93.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 75.6 Ų | 75.6 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 168.8 | 164.9 | -109.9 | 0 | 0 | 0 | 111.8 | R127 I130 L148 L150 D151 N156 T157 K158 | R127-Y154 HydrophobicContact CG-CE2 4.49Å; I130-Y154 HydrophobicContact CD1-CD2 4.45Å; I130-Y154 HydrophobicContact CD1-CE2 4.03Å; I130-Y154 HydrophobicContact CG2-CD2 4.14Å; I130-Y154 HydrophobicContact CG2-CE2 4.35Å; L148-Y154 HydrophobicContact CD2-CD2 3.76Å; L148-Y154 HydrophobicContact CD2-CE2 4.14Å; L150-Y154 HydrophobicContact CB-CD1 4.25Å; L150-Y154 HydrophobicContact CD2-CD1 3.81Å; L150-Y154 HydrophobicContact CD2-CE1 3.77Å; L150-Y154 HydrophobicContact CD2-CG 4.21Å; D151-Y154 PolarHBondContact O-N 2.91Å; D151-Y154 PolarHBondContact OD1-N 3.48Å; Y154-N156 VanDerWaalsContact C-N 3.35Å; Y154-N156 PolarHBondContact O-N 3.5Å; Y154-T157 PolarHBondContact O-N 3.46Å; Y154-K158 WeakPolarHBondContact O-CB 3.49Å; Y154-K158 PolarHBondContact O-N 3.41Å |
| 155 | I | 94.4 | Very high | 91.3 | Very high | 72 Ų | 72 | 70.7 Ų | 70.7 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.2 | -65.5 | 170 | 0 | 0 | 0 | 110.7 | D151 Q152 N159 | D151-I155 WeakPolarHBondContact O-CG1 3.32Å; D151-I155 PolarHBondContact O-N 2.93Å; D151-I155 VanDerWaalsContact O-N 3.14Å; Q152-I155 PolarHBondContact O-N 3.3Å; I155-N159 WeakPolarHBondContact O-CB 3.43Å; I155-N159 VanDerWaalsContact O-CG 3.24Å; I155-N159 PolarHBondContact O-N 3.36Å; I155-N159 PolarHBondContact O-ND2 3.29Å |
| 156 | N | 95.4 | Very high | 92.4 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.5 | -69.5 | -14.6 | 0 | 0 | 0 | 111.4 | Q152 N153 Y154 N159 Q160 | Q152-N156 PolarHBondContact NE2-OD1 3.44Å; Q152-N156 WeakPolarHBondContact O-CB 3.46Å; Q152-N156 PolarHBondContact O-N 3.46Å; Q152-N156 PolarHBondContact O-ND2 2.91Å; Q152-N156 PolarHBondContact O-OD1 2.95Å; N153-N156 PolarHBondContact O-N 3.16Å; Y154-N156 VanDerWaalsContact C-N 3.35Å; Y154-N156 PolarHBondContact O-N 3.5Å; N156-N159 PolarHBondContact O-N 2.99Å; N156-Q160 WeakPolarHBondContact O-CG 3.32Å; N156-Q160 PolarHBondContact O-N 2.9Å |
| 157 | T | 95.5 | Very high | 93.3 | Very high | 40 Ų | 40 | 76.4 Ų | 76.4 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 179.3 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | I107 M110 I130 N153 Y154 N159 Q160 V161 | I107-T157 HydrophobicContact CD1-CG2 4.15Å; M110-T157 HydrophobicContact CE-CG2 4.25Å; I130-T157 HydrophobicContact CD1-CG2 4.49Å; I130-T157 HydrophobicContact CG2-CG2 4.3Å; N153-T157 VanDerWaalsContact O-CB 3.32Å; N153-T157 WeakPolarHBondContact O-CB 3.27Å; N153-T157 PolarHBondContact O-N 2.82Å; N153-T157 PolarHBondContact O-OG1 3.43Å; Y154-T157 PolarHBondContact O-N 3.46Å; T157-N159 VanDerWaalsContact C-N 3.3Å; T157-N159 PolarHBondContact O-N 2.84Å; T157-Q160 WeakPolarHBondContact O-CB 3.21Å; T157-Q160 PolarHBondContact O-N 3.46Å; T157-Q160 VanDerWaalsContact O-N 3.08Å; T157-V161 WeakPolarHBondContact O-CG2 3.32Å; T157-V161 PolarHBondContact O-N 3.02Å |
| 158 | K | 96.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 71 Ų | 71 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.8 | -44.5 | 173.6 | -179.1 | -172.9 | 174 | -169 | 0 | 111.6 | I126 I130 Y154 V161 I162 | I126-K158 HydrophobicContact CG2-CG 4.12Å; I130-K158 HydrophobicContact CD1-CB 3.89Å; I130-K158 HydrophobicContact CD1-CG 4.44Å; Y154-K158 WeakPolarHBondContact O-CB 3.49Å; Y154-K158 PolarHBondContact O-N 3.41Å; K158-V161 PolarHBondContact O-N 3.05Å; K158-I162 HydrophobicContact CG-CD1 4.02Å; K158-I162 WeakPolarHBondContact O-CD1 3.33Å; K158-I162 VanDerWaalsContact O-CG1 3.28Å; K158-I162 WeakPolarHBondContact O-CG1 3.49Å; K158-I162 PolarHBondContact O-N 3.22Å |
| 159 | N | 97.2 | Very high | 94.7 | Very high | 74 Ų | 74 | 71 Ų | 71 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.5 | -31.7 | 177.2 | -72.1 | -26.5 | 0 | 0 | 0 | 112.8 | I155 N156 T157 K163 | I155-N159 WeakPolarHBondContact O-CB 3.43Å; I155-N159 VanDerWaalsContact O-CG 3.24Å; I155-N159 PolarHBondContact O-N 3.36Å; I155-N159 PolarHBondContact O-ND2 3.29Å; N156-N159 PolarHBondContact O-N 2.99Å; T157-N159 VanDerWaalsContact C-N 3.3Å; T157-N159 PolarHBondContact O-N 2.84Å; N159-K163 WeakPolarHBondContact O-CB 3.32Å; N159-K163 VanDerWaalsContact O-CG 3.23Å; N159-K163 WeakPolarHBondContact O-CG 3.03Å; N159-K163 PolarHBondContact O-N 3.43Å; N159-K163 VanDerWaalsContact O-N 3.12Å |
| 160 | Q | 97.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 72.6 Ų | 72.6 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 172.5 | -72.6 | 177 | 12.9 | 0 | 0 | 111.8 | I107 N156 T157 I162 K163 A164 | I107-Q160 HydrophobicContact CD1-CB 4.21Å; I107-Q160 HydrophobicContact CG2-CB 4.06Å; N156-Q160 WeakPolarHBondContact O-CG 3.32Å; N156-Q160 PolarHBondContact O-N 2.9Å; T157-Q160 WeakPolarHBondContact O-CB 3.21Å; T157-Q160 PolarHBondContact O-N 3.46Å; T157-Q160 VanDerWaalsContact O-N 3.08Å; Q160-I162 PolarHBondContact O-N 3.26Å; Q160-K163 PolarHBondContact O-N 3.43Å; Q160-K163 VanDerWaalsContact O-N 3.17Å; Q160-A164 WeakPolarHBondContact O-CB 3.24Å; Q160-A164 PolarHBondContact O-N 3.03Å |
| 161 | V | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | I107 M110 A111 I126 T157 K158 K163 A164 E165 | I107-V161 HydrophobicContact CD1-CG2 4.45Å; I107-V161 HydrophobicContact CG2-CG2 4.35Å; M110-V161 HydrophobicContact CB-CG1 4.15Å; M110-V161 HydrophobicContact CB-CG2 3.79Å; M110-V161 HydrophobicContact CE-CG2 3.99Å; M110-V161 HydrophobicContact SD-CG2 4.06Å; A111-V161 HydrophobicContact CB-CG1 4.5Å; I126-V161 HydrophobicContact CG2-CG1 4.36Å; T157-V161 WeakPolarHBondContact O-CG2 3.32Å; T157-V161 PolarHBondContact O-N 3.02Å; K158-V161 PolarHBondContact O-N 3.05Å; V161-K163 VanDerWaalsContact C-N 3.33Å; V161-K163 PolarHBondContact O-N 2.88Å; V161-A164 PolarHBondContact O-N 3.19Å; V161-E165 WeakPolarHBondContact O-CB 3.39Å; V161-E165 PolarHBondContact O-N 2.92Å |
| 162 | I | 97.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 69 Ų | 69 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 175.8 | -68.1 | 165.5 | 0 | 0 | 0 | 111.9 | I126 K158 Q160 R166 | I126-I162 HydrophobicContact CD1-CD1 4.15Å; I126-I162 HydrophobicContact CD1-CG1 3.76Å; K158-I162 HydrophobicContact CG-CD1 4.02Å; K158-I162 WeakPolarHBondContact O-CD1 3.33Å; K158-I162 VanDerWaalsContact O-CG1 3.28Å; K158-I162 WeakPolarHBondContact O-CG1 3.49Å; K158-I162 PolarHBondContact O-N 3.22Å; Q160-I162 PolarHBondContact O-N 3.26Å; I162-R166 WeakPolarHBondContact O-CG 3.37Å; I162-R166 PolarHBondContact O-N 3.42Å |
| 163 | K | 97.3 | Very high | 95.3 | Very high | 149 Ų | 149 | 66 Ų | 66 | 65% | 0.648 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.4 | -39.1 | 175 | -75.2 | 171.5 | -178.9 | -178.1 | 0 | 111.9 | N159 Q160 V161 R167 | N159-K163 WeakPolarHBondContact O-CB 3.32Å; N159-K163 VanDerWaalsContact O-CG 3.23Å; N159-K163 WeakPolarHBondContact O-CG 3.03Å; N159-K163 PolarHBondContact O-N 3.43Å; N159-K163 VanDerWaalsContact O-N 3.12Å; Q160-K163 PolarHBondContact O-N 3.43Å; Q160-K163 VanDerWaalsContact O-N 3.17Å; V161-K163 VanDerWaalsContact C-N 3.33Å; V161-K163 PolarHBondContact O-N 2.88Å; K163-R167 PolarHBondContact O-N 3.26Å; K163-R167 VanDerWaalsContact O-N 3.13Å |
| 164 | A | 97.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I107 A111 Q160 V161 R166 R167 V168 | I107-A164 HydrophobicContact CG2-CB 3.79Å; A111-A164 HydrophobicContact CB-CB 3.79Å; Q160-A164 WeakPolarHBondContact O-CB 3.24Å; Q160-A164 PolarHBondContact O-N 3.03Å; V161-A164 PolarHBondContact O-N 3.19Å; A164-R166 PolarHBondContact O-N 2.92Å; A164-R167 CarbonylContact O-C 3.43Å; A164-R167 WeakPolarHBondContact O-CA 3.38Å; A164-R167 WeakPolarHBondContact O-CB 3.17Å; A164-R167 PolarHBondContact O-N 2.96Å; A164-V168 WeakPolarHBondContact O-CG2 3.35Å; A164-V168 PolarHBondContact O-N 3.49Å |
| 165 | E | 97.3 | Very high | 95 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 175.5 | 176.5 | 174.4 | -103.4 | 0 | 0 | 112.2 | A111 N114 L115 K118 V161 R167 V168 L169 | A111-E165 HydrophobicContact CB-CB 4.16Å; N114-E165 PolarHBondContact ND2-OE1 2.67Å; L115-E165 HydrophobicContact CB-CG 4.38Å; K118-E165 VanDerWaalsContact CE-OE1 3.25Å; K118-E165 WeakPolarHBondContact CE-OE1 3.44Å; K118-E165 IonicContact NZ-OE1 2.63Å; K118-E165 PolarHBondContact NZ-OE1 2.89Å; K118-E165 IonicContact NZ-OE2 3.1Å; K118-E165 PolarHBondContact NZ-OE2 2.68Å; V161-E165 WeakPolarHBondContact O-CB 3.39Å; V161-E165 PolarHBondContact O-N 2.92Å; E165-R167 PolarHBondContact O-N 3.25Å; E165-V168 PolarHBondContact O-N 3.13Å; E165-L169 PolarHBondContact O-N 3.25Å |
| 166 | R | 97.1 | Very high | 94.8 | Very high | 172 Ų | 172 | 67.5 Ų | 67.5 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60 | -31 | 173.7 | -64.9 | 175.4 | -162.9 | -172.8 | 2.8 | 112.2 | I162 A164 K170 | I162-R166 WeakPolarHBondContact O-CG 3.37Å; I162-R166 PolarHBondContact O-N 3.42Å; A164-R166 PolarHBondContact O-N 2.92Å; R166-K170 WeakPolarHBondContact O-CB 3.18Å; R166-K170 PolarHBondContact O-N 2.98Å; R166-K170 VanDerWaalsContact O-N 3.1Å |
| 167 | R | 96.5 | Very high | 94.5 | Very high | 106 Ų | 106 | 68.5 Ų | 68.5 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.8 | -46.6 | 176.2 | -161.4 | 175.4 | -166.5 | 154.9 | 9 | 111.3 | F94 H103 K163 A164 E165 L169 K170 E171 | F94-R167 HydrophobicContact CE2-CG 4.19Å; H103-R167 PolarHBondContact NE2-NE 2.79Å; H103-R167 PolarHBondContact NE2-NH1 3.18Å; K163-R167 PolarHBondContact O-N 3.26Å; K163-R167 VanDerWaalsContact O-N 3.13Å; A164-R167 CarbonylContact O-C 3.43Å; A164-R167 WeakPolarHBondContact O-CA 3.38Å; A164-R167 WeakPolarHBondContact O-CB 3.17Å; A164-R167 PolarHBondContact O-N 2.96Å; E165-R167 PolarHBondContact O-N 3.25Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 2.85Å; R167-K170 PolarHBondContact O-N 2.82Å; R167-K170 VanDerWaalsContact O-N 3.1Å; R167-E171 HydrophobicContact CG-CG 3.73Å; R167-E171 IonicContact CZ-OE1 3.89Å; R167-E171 IonicContact NE-OE1 2.88Å; R167-E171 PolarHBondContact NE-OE1 2.98Å; R167-E171 IonicContact NH2-OE1 2.77Å; R167-E171 PolarHBondContact NH2-OE1 3.41Å; R167-E171 WeakPolarHBondContact O-CG 3.34Å; R167-E171 PolarHBondContact O-N 3.49Å |
| 168 | V | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.7 | -48.4 | 174.5 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | F94 V108 L115 A164 E165 K170 E171 L172 | F94-V168 HydrophobicContact CD2-CB 4.32Å; F94-V168 HydrophobicContact CD2-CG2 3.77Å; F94-V168 HydrophobicContact CE2-CG2 4.14Å; F94-V168 HydrophobicContact CG-CG2 4.21Å; V108-V168 HydrophobicContact CG1-CG2 4.35Å; L115-V168 HydrophobicContact CD2-CB 4.28Å; L115-V168 HydrophobicContact CD2-CG1 3.76Å; A164-V168 WeakPolarHBondContact O-CG2 3.35Å; A164-V168 PolarHBondContact O-N 3.49Å; E165-V168 PolarHBondContact O-N 3.13Å; V168-K170 PolarHBondContact O-N 3.23Å; V168-E171 PolarHBondContact O-N 3.01Å; V168-L172 HydrophobicContact CG1-CD1 3.7Å; V168-L172 HydrophobicContact CG1-CG 4.35Å; V168-L172 WeakPolarHBondContact O-CB 3.33Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.34Å; V168-L172 PolarHBondContact O-N 2.95Å |
| 169 | L | 96 | Very high | 94 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.5 | -47.8 | 174.9 | -74.4 | 165.9 | 0 | 0 | 0 | 113.2 | L115 E165 R167 G173 F174 V176 | L115-L169 HydrophobicContact CD1-CD1 4.39Å; L115-L169 HydrophobicContact CD1-CD2 4.02Å; L115-L169 HydrophobicContact CD1-CG 4.26Å; L115-L169 HydrophobicContact CD2-CD2 4.14Å; L115-L169 HydrophobicContact CD2-CG 4.07Å; E165-L169 PolarHBondContact O-N 3.25Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 2.85Å; L169-G173 PolarHBondContact O-N 3.05Å; L169-F174 HydrophobicContact CB-CD1 4.2Å; L169-F174 HydrophobicContact CB-CE1 3.97Å; L169-F174 HydrophobicContact CB-CZ 4.46Å; L169-F174 HydrophobicContact CD1-CE1 4.49Å; L169-F174 HydrophobicContact CD2-CD1 3.88Å; L169-F174 HydrophobicContact CD2-CE1 4.24Å; L169-F174 HydrophobicContact CG-CE1 4.48Å; L169-F174 PolarHBondContact O-N 3.03Å; L169-V176 HydrophobicContact CD2-CG1 3.87Å |
| 170 | K | 94.3 | Very high | 93.8 | Very high | 161 Ų | 161 | 64.3 Ų | 64.3 | 70% | 0.7 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.5 | -46.3 | -179.9 | -179.7 | 175.6 | 178.8 | 175.7 | 0 | 113 | R166 R167 V168 L172 G173 | R166-K170 WeakPolarHBondContact O-CB 3.18Å; R166-K170 PolarHBondContact O-N 2.98Å; R166-K170 VanDerWaalsContact O-N 3.1Å; R167-K170 PolarHBondContact O-N 2.82Å; R167-K170 VanDerWaalsContact O-N 3.1Å; V168-K170 PolarHBondContact O-N 3.23Å; K170-L172 VanDerWaalsContact C-N 3.29Å; K170-L172 PolarHBondContact O-N 2.84Å; K170-G173 PolarHBondContact O-N 2.94Å |
| 171 | E | 92.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.9 | -21.9 | -174 | -52.4 | -74.6 | -174.1 | 0 | 0 | 111.8 | F94 K98 R167 V168 | F94-E171 HydrophobicContact CD2-CB 4.33Å; F94-E171 HydrophobicContact CD2-CG 4.48Å; F94-E171 HydrophobicContact CE2-CB 4.3Å; F94-E171 HydrophobicContact CE2-CG 3.96Å; K98-E171 VanDerWaalsContact CE-OE1 3.24Å; K98-E171 WeakPolarHBondContact CE-OE1 3.22Å; K98-E171 WeakPolarHBondContact CE-OE2 3.46Å; K98-E171 HydrophobicContact CG-CG 4.26Å; K98-E171 IonicContact NZ-OE1 2.69Å; K98-E171 IonicContact NZ-OE2 2.92Å; K98-E171 PolarHBondContact NZ-OE2 3.38Å; R167-E171 HydrophobicContact CG-CG 3.73Å; R167-E171 IonicContact CZ-OE1 3.89Å; R167-E171 IonicContact NE-OE1 2.88Å; R167-E171 PolarHBondContact NE-OE1 2.98Å; R167-E171 IonicContact NH2-OE1 2.77Å; R167-E171 PolarHBondContact NH2-OE1 3.41Å; R167-E171 WeakPolarHBondContact O-CG 3.34Å; R167-E171 PolarHBondContact O-N 3.49Å; V168-E171 PolarHBondContact O-N 3.01Å |
| 172 | L | 90.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 4.9 | 171.5 | -60.4 | -177.5 | 0 | 0 | 0 | 113.7 | L90 R93 V168 K170 F174 C175 | L90-L172 HydrophobicContact CB-CD1 4.48Å; L90-L172 HydrophobicContact CD2-CD1 3.53Å; R93-L172 HydrophobicContact CB-CD2 3.49Å; R93-L172 VanDerWaalsContact CB-CD2 3.49Å; V168-L172 HydrophobicContact CG1-CD1 3.7Å; V168-L172 HydrophobicContact CG1-CG 4.35Å; V168-L172 WeakPolarHBondContact O-CB 3.33Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.34Å; V168-L172 PolarHBondContact O-N 2.95Å; K170-L172 VanDerWaalsContact C-N 3.29Å; K170-L172 PolarHBondContact O-N 2.84Å; L172-F174 PolarHBondContact O-N 3.23Å; L172-F174 VanDerWaalsContact O-N 3.16Å; L172-C175 WeakPolarHBondContact O-CB 3.22Å; L172-C175 PolarHBondContact O-N 3.2Å |
| 173 | G | 89.7 | Confident | 93.1 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 24.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L169 K170 C175 | L169-G173 PolarHBondContact O-N 3.05Å; K170-G173 PolarHBondContact O-N 2.94Å; G173-C175 PolarHBondContact O-N 3.33Å |
| 174 | F | 89.5 | Confident | 92.9 | Very high | 144 Ų | 144 | 60.7 Ų | 60.7 | 63% | 0.632 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 5.2 | -167.6 | -58.9 | -96.6 | 0 | 0 | 0 | 116 | L169 L172 V176 | L169-F174 HydrophobicContact CB-CD1 4.2Å; L169-F174 HydrophobicContact CB-CE1 3.97Å; L169-F174 HydrophobicContact CB-CZ 4.46Å; L169-F174 HydrophobicContact CD1-CE1 4.49Å; L169-F174 HydrophobicContact CD2-CD1 3.88Å; L169-F174 HydrophobicContact CD2-CE1 4.24Å; L169-F174 HydrophobicContact CG-CE1 4.48Å; L169-F174 PolarHBondContact O-N 3.03Å; L172-F174 PolarHBondContact O-N 3.23Å; L172-F174 VanDerWaalsContact O-N 3.16Å; F174-V176 PolarHBondContact O-N 2.77Å |
| 175 | C | 88.9 | Confident | 92.7 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | trans | -74.3 | 67 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | L172 G173 | L172-C175 WeakPolarHBondContact O-CB 3.22Å; L172-C175 PolarHBondContact O-N 3.2Å; G173-C175 PolarHBondContact O-N 3.33Å | ||
| 176 | V | 90.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | trans | -94.7 | -1.8 | -175.2 | -59.5 | 0 | 0 | 0 | 0 | 114.3 | L90 L115 I119 L169 F174 | L90-V176 HydrophobicContact CD2-CB 3.92Å; L90-V176 HydrophobicContact CD2-CG1 4.09Å; L115-V176 HydrophobicContact CD2-CG1 4.43Å; I119-V176 HydrophobicContact CD1-CB 3.66Å; I119-V176 HydrophobicContact CD1-CG1 4.47Å; I119-V176 HydrophobicContact CD1-CG2 3.62Å; I119-V176 HydrophobicContact CG1-CG2 4.05Å; L169-V176 HydrophobicContact CD2-CG1 3.87Å; F174-V176 PolarHBondContact O-N 2.77Å | ||
| 177 | H | 89.3 | Confident | 92.3 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | trans | -66.9 | 143.2 | 173.5 | -174.8 | 65.8 | 0 | 0 | 0 | 111.2 | R93 | R93-H177 PolarHBondContact NH1-O 2.72Š| ||
| 178 | V | 90.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | trans | -136.9 | 118 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 108 | T86 V89 H180 | T86-V178 HydrophobicContact CG2-CG2 4.17Å; V89-V178 HydrophobicContact CB-CG1 4.06Å; V89-V178 HydrophobicContact CB-CG2 4.05Å; V89-V178 HydrophobicContact CG1-CG1 4Å; V89-V178 HydrophobicContact CG1-CG2 3.89Å; V89-V178 HydrophobicContact CG2-CG1 3.96Å; V178-H180 VanDerWaalsContact CG1-CE1 3.41Å; V178-H180 WeakPolarHBondContact CG1-CE1 3.37Å; V178-H180 PolarHBondContact O-CD2 2.8Å | ||
| 179 | K | 91.1 | Very high | 92 | Very high | 70 Ų | 70 | 54 Ų | 54 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | trans | -81.5 | 121.6 | 170.8 | -66.4 | -177 | -169.8 | 174.1 | 0 | 108 | I34 D35 N36 P222 | I34-K179 WeakPolarHBondContact O-CE 3.43Å; I34-K179 PolarHBondContact O-NZ 3.34Å; D35-K179 IonicContact OD1-NZ 3.24Å; D35-K179 PolarHBondContact OD1-NZ 3.21Å; D35-K179 VanDerWaalsContact OD1-NZ 3.1Å; N36-K179 HydrophobicContact CB-CB 4.38Å; N36-K179 HydrophobicContact CB-CD 4.31Å; N36-K179 HydrophobicContact CB-CG 4.44Å; K179-P222 HydrophobicContact CB-CG 3.85Å | ||
| 180 | H | 91.3 | Very high | 91.7 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | trans | -101.2 | 130.5 | -173 | -77.1 | -66.5 | 0 | 0 | 0 | 112.7 | A85 T86 V178 H182 | A85-H180 WeakPolarHBondContact CB-CE1 3.48Å; T86-H180 PolarHBondContact N-CE1 3.5Å; T86-H180 PolarHBondContact OG1-NE2 2.88Å; V178-H180 VanDerWaalsContact CG1-CE1 3.41Å; V178-H180 WeakPolarHBondContact CG1-CE1 3.37Å; V178-H180 PolarHBondContact O-CD2 2.8Å; H180-H182 PolarHBondContact O-N 3.47Å | ||
| 181 | P | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -13.3 | -176.5 | 30.3 | -36.6 | 0 | 0 | 0 | 113.8 | K183 I184 V185 M208 F217 P222 I225 A226 | P181-K183 VanDerWaalsContact C-N 3.29Å; P181-K183 PolarHBondContact O-N 3.23Å; P181-I184 WeakPolarHBondContact O-CA 3.43Å; P181-I184 WeakPolarHBondContact O-CB 3.34Å; P181-I184 PolarHBondContact O-N 3.12Å; P181-V185 PolarHBondContact O-N 3.41Å; P181-M208 HydrophobicContact CB-CG 4.3Å; P181-M208 HydrophobicContact CG-CG 3.57Å; P181-M208 HydrophobicContact CG-SD 4.04Å; P181-F217 VanDerWaalsContact CD-CE1 3.45Å; P181-F217 HydrophobicContact CG-CE1 3.75Å; P181-F217 HydrophobicContact CG-CZ 3.65Å; P181-P222 HydrophobicContact CB-CB 4.18Å; P181-P222 WeakPolarHBondContact CB-O 3.44Å; P181-I225 HydrophobicContact CB-CG2 4.43Å; P181-I225 HydrophobicContact CG-CG2 4.15Å; P181-A226 HydrophobicContact CB-CB 4.11Å |
| 182 | H | 92.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -48.2 | -46.1 | -178.4 | -55.6 | 59.2 | 0 | 0 | 0 | 113.3 | H180 W205 M208 N209 | H180-H182 PolarHBondContact O-N 3.47Å; H182-W205 HydrophobicContact CB-CH2 4.08Å; H182-W205 HydrophobicContact CB-CZ2 3.96Å; H182-W205 AromaticContact CD2-CE2 3.75Å; H182-W205 AromaticContact CD2-CZ2 3.7Å; H182-W205 AromaticContact CD2-NE1 3.65Å; H182-M208 HydrophobicContact CB-CE 4.23Å; H182-M208 WeakPolarHBondContact CD2-CE 3.49Å; H182-M208 PolarHBondContact CE1-SD 2.88Å; H182-M208 WeakPolarHBondContact NE2-CE 3.38Å; H182-M208 PolarHBondContact NE2-SD 2.97Å; H182-M208 VanDerWaalsContact NE2-SD 3.4Å; H182-N209 PolarHBondContact NE2-OD1 2.82Å |
| 183 | K | 92.2 | Very high | 91.4 | Very high | 173 Ų | 173 | 61.9 Ų | 61.9 | 75% | 0.752 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -74.1 | -34.6 | 178.1 | -174.2 | 179.5 | 176.4 | -174 | 0 | 112 | P181 V186 M187 | P181-K183 VanDerWaalsContact C-N 3.29Å; P181-K183 PolarHBondContact O-N 3.23Å; K183-V186 PolarHBondContact O-N 3.17Å; K183-M187 WeakPolarHBondContact O-CB 3.39Å; K183-M187 PolarHBondContact O-N 3.41Å |
| 184 | I | 93.6 | Very high | 91.3 | Very high | 23 Ų | 23 | 61 Ų | 61 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -43.8 | -178.4 | -50.6 | -178.7 | 0 | 0 | 0 | 110.2 | P181 V186 M187 Y188 P222 E223 A226 | P181-I184 WeakPolarHBondContact O-CA 3.43Å; P181-I184 WeakPolarHBondContact O-CB 3.34Å; P181-I184 PolarHBondContact O-N 3.12Å; I184-V186 VanDerWaalsContact C-N 3.31Å; I184-V186 PolarHBondContact O-N 3.07Å; I184-M187 PolarHBondContact O-N 3.05Å; I184-M187 VanDerWaalsContact O-N 3.16Å; I184-Y188 HydrophobicContact CG2-CD1 4.03Å; I184-Y188 HydrophobicContact CG2-CD2 3.72Å; I184-Y188 HydrophobicContact CG2-CE1 3.67Å; I184-Y188 HydrophobicContact CG2-CE2 3.32Å; I184-Y188 HydrophobicContact CG2-CG 4.06Å; I184-Y188 WeakPolarHBondContact O-CB 3.29Å; I184-Y188 PolarHBondContact O-N 3.46Å; I184-P222 HydrophobicContact CD1-CB 3.94Å; I184-P222 HydrophobicContact CD1-CG 4.15Å; I184-E223 HydrophobicContact CD1-CG 4.2Å; I184-A226 HydrophobicContact CB-CB 3.89Å; I184-A226 HydrophobicContact CG2-CB 3.73Å |
| 185 | V | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.6 | -45 | 175.1 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | P181 L189 A204 A226 M230 | P181-V185 PolarHBondContact O-N 3.41Å; V185-L189 HydrophobicContact CG1-CD1 3.88Å; V185-L189 WeakPolarHBondContact O-CB 3.2Å; V185-L189 VanDerWaalsContact O-CG 3.3Å; V185-L189 WeakPolarHBondContact O-CG 3.35Å; V185-L189 PolarHBondContact O-N 3.34Å; V185-A204 HydrophobicContact CG1-CB 3.77Å; V185-A226 HydrophobicContact CG2-CB 3.6Å; V185-M230 HydrophobicContact CG1-CG 4.04Å |
| 186 | V | 92.3 | Very high | 91.1 | Very high | 58 Ų | 58 | 62 Ų | 62 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | K183 I184 Y188 L189 Q190 W205 | K183-V186 PolarHBondContact O-N 3.17Å; I184-V186 VanDerWaalsContact C-N 3.31Å; I184-V186 PolarHBondContact O-N 3.07Å; V186-Y188 PolarHBondContact O-N 2.89Å; V186-L189 PolarHBondContact O-N 2.94Å; V186-Q190 WeakPolarHBondContact O-CB 3.44Å; V186-Q190 PolarHBondContact O-N 3.34Å; V186-W205 HydrophobicContact CG2-CE3 4.21Å; V186-W205 HydrophobicContact CG2-CZ3 3.73Å |
| 187 | M | 93.3 | Very high | 91.2 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | -179.5 | -171.8 | -178.6 | 77.6 | 0 | 0 | 112.6 | K183 I184 Q190 F191 | K183-M187 WeakPolarHBondContact O-CB 3.39Å; K183-M187 PolarHBondContact O-N 3.41Å; I184-M187 PolarHBondContact O-N 3.05Å; I184-M187 VanDerWaalsContact O-N 3.16Å; M187-Q190 PolarHBondContact O-N 3.39Å; M187-F191 PolarHBondContact O-N 3.36Å |
| 188 | Y | 94 | Very high | 91.4 | Very high | 18 Ų | 18 | 67 Ų | 67 | 7% | 0.071 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.3 | -37 | 177.4 | -68.4 | -6.7 | 0 | 0 | 0 | 112 | I184 V186 Q190 F191 L192 E223 A226 M230 F251 | I184-Y188 HydrophobicContact CG2-CD1 4.03Å; I184-Y188 HydrophobicContact CG2-CD2 3.72Å; I184-Y188 HydrophobicContact CG2-CE1 3.67Å; I184-Y188 HydrophobicContact CG2-CE2 3.32Å; I184-Y188 HydrophobicContact CG2-CG 4.06Å; I184-Y188 WeakPolarHBondContact O-CB 3.29Å; I184-Y188 PolarHBondContact O-N 3.46Å; V186-Y188 PolarHBondContact O-N 2.89Å; Y188-Q190 VanDerWaalsContact C-N 3.31Å; Y188-Q190 PolarHBondContact O-N 3.44Å; Y188-F191 PolarHBondContact O-N 3.38Å; Y188-L192 WeakPolarHBondContact O-CG 3.33Å; Y188-L192 PolarHBondContact O-N 2.79Å; Y188-E223 WeakPolarHBondContact OH-CB 3.35Å; Y188-E223 WeakPolarHBondContact OH-CG 3.49Å; Y188-A226 HydrophobicContact CD2-CB 4.27Å; Y188-A226 HydrophobicContact CE2-CB 4.32Å; Y188-M230 VanDerWaalsContact CB-SD 3.54Å; Y188-M230 HydrophobicContact CD2-SD 4.14Å; Y188-M230 HydrophobicContact CG-SD 4.39Å; Y188-F251 AromaticContact CD1-CD1 3.68Å; Y188-F251 HydrophobicContact CD1-CD1 3.68Å; Y188-F251 HydrophobicContact CD1-CD2 4.29Å; Y188-F251 AromaticContact CD1-CE1 3.43Å; Y188-F251 HydrophobicContact CD1-CE1 3.43Å; Y188-F251 VanDerWaalsContact CD1-CE1 3.43Å; Y188-F251 HydrophobicContact CD1-CE2 4.06Å; Y188-F251 HydrophobicContact CD1-CG 4.11Å; Y188-F251 AromaticContact CD1-CZ 3.63Å; Y188-F251 HydrophobicContact CD1-CZ 3.63Å; Y188-F251 HydrophobicContact CD2-CB 4.45Å; Y188-F251 HydrophobicContact CD2-CD1 4.33Å; Y188-F251 AromaticContact CD2-CD2 3.68Å; Y188-F251 HydrophobicContact CD2-CD2 3.68Å; Y188-F251 AromaticContact CD2-CE2 3.9Å; Y188-F251 HydrophobicContact CD2-CE2 3.9Å; Y188-F251 AromaticContact CD2-CG 3.9Å; Y188-F251 HydrophobicContact CD2-CG 3.9Å; Y188-F251 HydrophobicContact CD2-CZ 4.32Å; Y188-F251 HydrophobicContact CE1-CB 4.41Å; Y188-F251 AromaticContact CE1-CD1 3.36Å; Y188-F251 HydrophobicContact CE1-CD1 3.36Å; Y188-F251 HydrophobicContact CE1-CD2 4.44Å; Y188-F251 AromaticContact CE1-CE1 3.59Å; Y188-F251 HydrophobicContact CE1-CE1 3.59Å; Y188-F251 AromaticContact CE1-CG 3.83Å; Y188-F251 HydrophobicContact CE1-CG 3.83Å; Y188-F251 HydrophobicContact CE1-CZ 4.21Å; Y188-F251 HydrophobicContact CE2-CB 3.74Å; Y188-F251 HydrophobicContact CE2-CD1 4.06Å; Y188-F251 AromaticContact CE2-CD2 3.85Å; Y188-F251 HydrophobicContact CE2-CD2 3.85Å; Y188-F251 HydrophobicContact CE2-CE2 4.46Å; Y188-F251 AromaticContact CE2-CG 3.61Å; Y188-F251 HydrophobicContact CE2-CG 3.61Å; Y188-F251 HydrophobicContact CG-CD1 4.16Å; Y188-F251 AromaticContact CG-CD2 3.92Å; Y188-F251 HydrophobicContact CG-CD2 3.92Å; Y188-F251 AromaticContact CG-CE1 3.95Å; Y188-F251 HydrophobicContact CG-CE1 3.95Å; Y188-F251 AromaticContact CG-CE2 3.67Å; Y188-F251 HydrophobicContact CG-CE2 3.67Å; Y188-F251 HydrophobicContact CG-CG 4.15Å; Y188-F251 AromaticContact CG-CZ 3.69Å; Y188-F251 HydrophobicContact CG-CZ 3.69Å; Y188-F251 AromaticContact CZ-CD1 3.57Å; Y188-F251 AromaticContact CZ-CG 3.57Å |
| 189 | L | 92.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.1 | -31.7 | 172.5 | -74.8 | 169.7 | 0 | 0 | 0 | 112.4 | V185 V186 E193 C194 E195 L200 V201 A204 M230 | V185-L189 HydrophobicContact CG1-CD1 3.88Å; V185-L189 WeakPolarHBondContact O-CB 3.2Å; V185-L189 VanDerWaalsContact O-CG 3.3Å; V185-L189 WeakPolarHBondContact O-CG 3.35Å; V185-L189 PolarHBondContact O-N 3.34Å; V186-L189 PolarHBondContact O-N 2.94Å; L189-E193 PolarHBondContact O-N 3.04Å; L189-C194 HydrophobicContact CD2-CB 3.87Å; L189-C194 CarbonylContact O-C 3.52Å; L189-C194 WeakPolarHBondContact O-CA 3.28Å; L189-C194 PolarHBondContact O-N 3.43Å; L189-E195 PolarHBondContact O-N 2.85Å; L189-E195 VanDerWaalsContact O-N 3.1Å; L189-L200 HydrophobicContact CD2-CD2 3.73Å; L189-L200 HydrophobicContact CD2-CG 3.95Å; L189-V201 HydrophobicContact CD1-CB 4.23Å; L189-V201 HydrophobicContact CD1-CG2 3.8Å; L189-A204 HydrophobicContact CD1-CB 4.43Å; L189-M230 HydrophobicContact CD1-CG 4.3Å; L189-M230 HydrophobicContact CD2-CE 3.81Å; L189-M230 HydrophobicContact CD2-CG 4.28Å; L189-M230 HydrophobicContact CG-CE 3.86Å; L189-M230 HydrophobicContact CG-CG 4.06Å; L189-M230 HydrophobicContact CG-SD 4.13Å |
| 190 | Q | 91.5 | Very high | 91.7 | Very high | 112 Ų | 112 | 67.6 Ų | 67.6 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.5 | -46 | 169.8 | 168.3 | 157.2 | 74.4 | 0 | 0 | 112 | V186 M187 Y188 L192 E193 E195 | V186-Q190 WeakPolarHBondContact O-CB 3.44Å; V186-Q190 PolarHBondContact O-N 3.34Å; M187-Q190 PolarHBondContact O-N 3.39Å; Y188-Q190 VanDerWaalsContact C-N 3.31Å; Y188-Q190 PolarHBondContact O-N 3.44Å; Q190-L192 PolarHBondContact O-N 3.04Å; Q190-E193 PolarHBondContact O-N 3.04Å; Q190-E195 HydrophobicContact CB-CB 4.33Å; Q190-E195 WeakPolarHBondContact CB-OE2 3.38Å; Q190-E195 VanDerWaalsContact CG-OE2 3.26Å; Q190-E195 WeakPolarHBondContact CG-OE2 3.21Å; Q190-E195 PolarHBondContact NE2-OE2 3.46Å |
| 191 | F | 90.5 | Very high | 91.9 | Very high | 137 Ų | 137 | 67.5 Ų | 67.5 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.9 | -31 | 175.6 | -175.9 | -92.4 | 0 | 0 | 0 | 113.2 | M187 Y188 E193 L250 F251 | M187-F191 PolarHBondContact O-N 3.36Å; Y188-F191 PolarHBondContact O-N 3.38Å; F191-E193 VanDerWaalsContact C-N 3.29Å; F191-L250 HydrophobicContact CE1-CD1 4.12Å; F191-F251 HydrophobicContact CB-CZ 4.33Å; F191-F251 HydrophobicContact CD1-CE1 4.14Å; F191-F251 AromaticContact CD1-CZ 3.7Å; F191-F251 HydrophobicContact CD1-CZ 3.7Å; F191-F251 HydrophobicContact CE1-CZ 4.38Å; F191-F251 HydrophobicContact CG-CE1 4.48Å; F191-F251 HydrophobicContact CG-CZ 4.23Å |
| 192 | L | 89.6 | Confident | 92 | Very high | 28 Ų | 28 | 72.5 Ų | 72.5 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 12.6 | 174.5 | -61.4 | 175.2 | 0 | 0 | 0 | 113.6 | Y188 Q190 C194 M230 W247 | Y188-L192 WeakPolarHBondContact O-CG 3.33Å; Y188-L192 PolarHBondContact O-N 2.79Å; Q190-L192 PolarHBondContact O-N 3.04Å; L192-C194 HydrophobicContact CB-CB 4.48Å; L192-C194 PolarHBondContact O-N 3.42Å; L192-C194 PolarHBondContact O-SG 3.11Å; L192-M230 HydrophobicContact CD1-CE 3.68Å; L192-W247 HydrophobicContact CD1-CD2 3.95Å; L192-W247 HydrophobicContact CD1-CE3 3.68Å; L192-W247 HydrophobicContact CD1-CG 4.36Å; L192-W247 HydrophobicContact CD1-CZ3 4.17Å; L192-W247 HydrophobicContact CD2-CB 4.05Å |
| 193 | E | 90.3 | Very high | 92.1 | Very high | 158 Ų | 158 | 73.3 Ų | 73.3 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 9.1 | -176.1 | -54 | -166.7 | 160.5 | 0 | 0 | 115.6 | L189 Q190 F191 | L189-E193 PolarHBondContact O-N 3.04Å; Q190-E193 PolarHBondContact O-N 3.04Å; F191-E193 VanDerWaalsContact C-N 3.29Å |
| 194 | C | 87 | Confident | 92.3 | Very high | 28 Ų | 28 | 65 Ų | 65 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -84.8 | -6.1 | -175.6 | -73.2 | 0 | 0 | 0 | 0 | 113.8 | L189 L192 K196 N197 L200 | L189-C194 HydrophobicContact CD2-CB 3.87Å; L189-C194 CarbonylContact O-C 3.52Å; L189-C194 WeakPolarHBondContact O-CA 3.28Å; L189-C194 PolarHBondContact O-N 3.43Å; L192-C194 HydrophobicContact CB-CB 4.48Å; L192-C194 PolarHBondContact O-N 3.42Å; L192-C194 PolarHBondContact O-SG 3.11Å; C194-K196 PolarHBondContact O-N 3.06Å; C194-N197 WeakPolarHBondContact O-CB 3.47Å; C194-N197 PolarHBondContact O-N 2.78Å; C194-L200 HydrophobicContact CB-CD2 4Å |
| 195 | E | 87.1 | Confident | 92.4 | Very high | 71 Ų | 71 | 67.9 Ų | 67.9 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -47.3 | -35 | 178.5 | 67.1 | -174.1 | -167.1 | 0 | 0 | 114.3 | L189 Q190 N197 | L189-E195 PolarHBondContact O-N 2.85Å; L189-E195 VanDerWaalsContact O-N 3.1Å; Q190-E195 HydrophobicContact CB-CB 4.33Å; Q190-E195 WeakPolarHBondContact CB-OE2 3.38Å; Q190-E195 VanDerWaalsContact CG-OE2 3.26Å; Q190-E195 WeakPolarHBondContact CG-OE2 3.21Å; Q190-E195 PolarHBondContact NE2-OE2 3.46Å; E195-N197 PolarHBondContact O-N 3.08Å |
| 196 | K | 88.4 | Confident | 92.5 | Very high | 163 Ų | 163 | 71.5 Ų | 71.5 | 71% | 0.709 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -69.8 | -22.8 | -176.1 | -64.5 | 165.2 | -170.2 | 156.8 | 0 | 111.3 | C194 Q198 | C194-K196 PolarHBondContact O-N 3.06Å; K196-Q198 PolarHBondContact O-N 3.38Å; K196-Q198 VanDerWaalsContact O-N 3.08Å |
| 197 | N | 91.9 | Very high | 92.6 | Very high | 57 Ų | 57 | 70.8 Ų | 70.8 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | trans | -82.2 | 82.4 | 176.2 | -169.8 | -23.8 | 0 | 0 | 0 | 110.3 | C194 E195 T199 L200 V201 I239 | C194-N197 WeakPolarHBondContact O-CB 3.47Å; C194-N197 PolarHBondContact O-N 2.78Å; E195-N197 PolarHBondContact O-N 3.08Å; N197-T199 PolarHBondContact O-N 3.04Å; N197-T199 PolarHBondContact OD1-N 3.46Å; N197-T199 PolarHBondContact OD1-OG1 3.19Å; N197-L200 HydrophobicContact CB-CB 4.06Å; N197-L200 WeakPolarHBondContact O-CB 3.48Å; N197-L200 PolarHBondContact O-N 3Å; N197-L200 VanDerWaalsContact O-N 3.08Å; N197-L200 PolarHBondContact OD1-N 3.03Å; N197-L200 VanDerWaalsContact OD1-N 3.12Å; N197-V201 PolarHBondContact O-N 3.48Å; N197-I239 VanDerWaalsContact ND2-CD1 3.29Å; N197-I239 WeakPolarHBondContact ND2-CD1 3.27Å | ||
| 198 | Q | 92.6 | Very high | 92.8 | Very high | 161 Ų | 161 | 66.1 Ų | 66.1 | 75% | 0.752 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.4 | -28.1 | -178.2 | -65.6 | -171.1 | 1.1 | 0 | 0 | 113.6 | K196 Q202 | K196-Q198 PolarHBondContact O-N 3.38Å; K196-Q198 VanDerWaalsContact O-N 3.08Å; Q198-Q202 VanDerWaalsContact O-CB 3.25Å; Q198-Q202 WeakPolarHBondContact O-CB 3.12Å; Q198-Q202 PolarHBondContact O-N 2.87Å |
| 199 | T | 94.8 | Very high | 92.8 | Very high | 88 Ų | 88 | 67 Ų | 67 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73 | -34.3 | 176.6 | 63 | 0 | 0 | 0 | 0 | 111.8 | N197 T203 | N197-T199 PolarHBondContact O-N 3.04Å; N197-T199 PolarHBondContact OD1-N 3.46Å; N197-T199 PolarHBondContact OD1-OG1 3.19Å; T199-T203 WeakPolarHBondContact O-CB 3.47Å; T199-T203 PolarHBondContact O-N 2.7Å; T199-T203 PolarHBondContact O-OG1 3.43Å |
| 200 | L | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 169.7 | 176.1 | 57.7 | 0 | 0 | 0 | 111.6 | L189 C194 N197 Q202 T203 A204 A233 A234 L237 I239 | L189-L200 HydrophobicContact CD2-CD2 3.73Å; L189-L200 HydrophobicContact CD2-CG 3.95Å; C194-L200 HydrophobicContact CB-CD2 4Å; N197-L200 HydrophobicContact CB-CB 4.06Å; N197-L200 WeakPolarHBondContact O-CB 3.48Å; N197-L200 PolarHBondContact O-N 3Å; N197-L200 VanDerWaalsContact O-N 3.08Å; N197-L200 PolarHBondContact OD1-N 3.03Å; N197-L200 VanDerWaalsContact OD1-N 3.12Å; L200-Q202 PolarHBondContact O-N 3.4Å; L200-T203 PolarHBondContact O-N 3.36Å; L200-A204 WeakPolarHBondContact O-CB 3.43Å; L200-A204 PolarHBondContact O-N 3.03Å; L200-A233 HydrophobicContact CD1-CB 3.71Å; L200-A234 HydrophobicContact CD1-CB 4.2Å; L200-L237 HydrophobicContact CB-CD1 4.02Å; L200-L237 HydrophobicContact CD1-CD1 4.25Å; L200-I239 HydrophobicContact CB-CD1 3.86Å; L200-I239 HydrophobicContact CD1-CD1 4.2Å; L200-I239 HydrophobicContact CD2-CD1 3.91Å; L200-I239 HydrophobicContact CD2-CG2 4.47Å; L200-I239 HydrophobicContact CG-CD1 4.2Å |
| 201 | V | 94.2 | Very high | 93.1 | Very high | 28 Ų | 28 | 63.1 Ų | 63.1 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | L189 N197 A204 W205 | L189-V201 HydrophobicContact CD1-CB 4.23Å; L189-V201 HydrophobicContact CD1-CG2 3.8Å; N197-V201 PolarHBondContact O-N 3.48Å; V201-A204 PolarHBondContact O-N 3.44Å; V201-W205 WeakPolarHBondContact O-CB 3.45Å; V201-W205 PolarHBondContact O-N 2.9Å |
| 202 | Q | 94.9 | Very high | 93.3 | Very high | 105 Ų | 105 | 56.6 Ų | 56.6 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | -179.7 | -172.5 | 61.4 | 68.6 | 0 | 0 | 112.5 | Q198 L200 W205 N206 | Q198-Q202 VanDerWaalsContact O-CB 3.25Å; Q198-Q202 WeakPolarHBondContact O-CB 3.12Å; Q198-Q202 PolarHBondContact O-N 2.87Å; L200-Q202 PolarHBondContact O-N 3.4Å; Q202-W205 PolarHBondContact O-N 3.36Å; Q202-N206 PolarHBondContact NE2-OD1 3.42Å; Q202-N206 WeakPolarHBondContact O-CB 3.32Å; Q202-N206 PolarHBondContact O-N 3.46Å; Q202-N206 PolarHBondContact O-ND2 3.39Å; Q202-N206 PolarHBondContact O-OD1 2.7Å |
| 203 | T | 95.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | T199 L200 W205 N206 Y207 A233 | T199-T203 WeakPolarHBondContact O-CB 3.47Å; T199-T203 PolarHBondContact O-N 2.7Å; T199-T203 PolarHBondContact O-OG1 3.43Å; L200-T203 PolarHBondContact O-N 3.36Å; T203-W205 VanDerWaalsContact C-N 3.34Å; T203-W205 PolarHBondContact O-N 3.03Å; T203-N206 PolarHBondContact O-N 3Å; T203-Y207 HydrophobicContact CG2-CD2 3.89Å; T203-Y207 HydrophobicContact CG2-CE2 3.52Å; T203-Y207 VanDerWaalsContact O-CD2 3.32Å; T203-Y207 WeakPolarHBondContact O-CD2 3.28Å; T203-Y207 PolarHBondContact O-N 2.6Å; T203-A233 HydrophobicContact CG2-CB 3.69Å |
| 204 | A | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V185 L189 L200 V201 N206 Y207 M208 M230 A233 | V185-A204 HydrophobicContact CG1-CB 3.77Å; L189-A204 HydrophobicContact CD1-CB 4.43Å; L200-A204 WeakPolarHBondContact O-CB 3.43Å; L200-A204 PolarHBondContact O-N 3.03Å; V201-A204 PolarHBondContact O-N 3.44Å; A204-N206 PolarHBondContact O-N 3.44Å; A204-Y207 PolarHBondContact O-N 2.87Å; A204-M208 WeakPolarHBondContact O-CB 3.31Å; A204-M208 PolarHBondContact O-N 3Å; A204-M230 HydrophobicContact CB-CG 4.29Å; A204-A233 HydrophobicContact CB-CB 3.81Å |
| 205 | W | 94.7 | Very high | 94 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 174.7 | -159.9 | -58.3 | 0 | 0 | 0 | 112.2 | H182 V186 V201 Q202 T203 M208 N209 | H182-W205 HydrophobicContact CB-CH2 4.08Å; H182-W205 HydrophobicContact CB-CZ2 3.96Å; H182-W205 AromaticContact CD2-CE2 3.75Å; H182-W205 AromaticContact CD2-CZ2 3.7Å; H182-W205 AromaticContact CD2-NE1 3.65Å; V186-W205 HydrophobicContact CG2-CE3 4.21Å; V186-W205 HydrophobicContact CG2-CZ3 3.73Å; V201-W205 WeakPolarHBondContact O-CB 3.45Å; V201-W205 PolarHBondContact O-N 2.9Å; Q202-W205 PolarHBondContact O-N 3.36Å; T203-W205 VanDerWaalsContact C-N 3.34Å; T203-W205 PolarHBondContact O-N 3.03Å; W205-M208 HydrophobicContact CB-CE 4.46Å; W205-M208 HydrophobicContact CD2-CE 4.2Å; W205-M208 HydrophobicContact CG-CE 3.83Å; W205-M208 WeakPolarHBondContact O-CE 3.49Å; W205-M208 PolarHBondContact O-N 3.4Å; W205-N209 WeakPolarHBondContact O-CB 3.14Å; W205-N209 PolarHBondContact O-N 3.46Å |
| 206 | N | 95.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -48.3 | 176.7 | -69.6 | -11.6 | 0 | 0 | 0 | 111.6 | Q202 T203 A204 M208 N209 D210 | Q202-N206 PolarHBondContact NE2-OD1 3.42Å; Q202-N206 WeakPolarHBondContact O-CB 3.32Å; Q202-N206 PolarHBondContact O-N 3.46Å; Q202-N206 PolarHBondContact O-ND2 3.39Å; Q202-N206 PolarHBondContact O-OD1 2.7Å; T203-N206 PolarHBondContact O-N 3Å; A204-N206 PolarHBondContact O-N 3.44Å; N206-M208 VanDerWaalsContact C-N 3.28Å; N206-M208 PolarHBondContact O-N 3.4Å; N206-N209 PolarHBondContact O-N 2.9Å; N206-D210 PolarHBondContact O-N 2.99Å |
| 207 | Y | 96.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 40.9 Ų | 40.9 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -37.2 | 176.6 | -75.7 | -53.1 | 0 | 0 | 0 | 112.9 | T203 A204 D210 S211 L232 A233 A236 T265 Y269 | T203-Y207 HydrophobicContact CG2-CD2 3.89Å; T203-Y207 HydrophobicContact CG2-CE2 3.52Å; T203-Y207 VanDerWaalsContact O-CD2 3.32Å; T203-Y207 WeakPolarHBondContact O-CD2 3.28Å; T203-Y207 PolarHBondContact O-N 2.6Å; A204-Y207 PolarHBondContact O-N 2.87Å; Y207-D210 PolarHBondContact O-N 3.26Å; Y207-S211 WeakPolarHBondContact O-CB 3.4Å; Y207-S211 PolarHBondContact O-N 2.74Å; Y207-S211 PolarHBondContact O-OG 2.98Å; Y207-L232 HydrophobicContact CD1-CD2 3.59Å; Y207-L232 HydrophobicContact CD1-CG 4.24Å; Y207-L232 HydrophobicContact CD2-CB 4.17Å; Y207-L232 HydrophobicContact CD2-CD2 4.02Å; Y207-L232 HydrophobicContact CD2-CG 3.88Å; Y207-L232 HydrophobicContact CE1-CD2 3.84Å; Y207-L232 HydrophobicContact CE1-CG 4.18Å; Y207-L232 HydrophobicContact CE2-CB 4.39Å; Y207-L232 HydrophobicContact CE2-CD2 4.23Å; Y207-L232 HydrophobicContact CE2-CG 3.8Å; Y207-L232 HydrophobicContact CG-CD2 3.71Å; Y207-L232 HydrophobicContact CG-CG 4.12Å; Y207-A233 HydrophobicContact CD2-CB 4.13Å; Y207-A233 HydrophobicContact CE2-CB 4.37Å; Y207-A236 HydrophobicContact CE2-CB 4.23Å; Y207-T265 HydrophobicContact CD1-CG2 4.42Å; Y207-Y269 HydrophobicContact CD1-CE2 4.22Å; Y207-Y269 VanDerWaalsContact CD1-OH 3.32Å; Y207-Y269 WeakPolarHBondContact CD1-OH 3.31Å; Y207-Y269 AromaticContact CE1-CE2 3.94Å; Y207-Y269 HydrophobicContact CE1-CE2 3.94Å |
| 208 | M | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.1 | -38.5 | 176.1 | 171.7 | -74.2 | -58.1 | 0 | 0 | 112.3 | P181 H182 A204 W205 N206 D210 S211 L212 F217 C229 | P181-M208 HydrophobicContact CB-CG 4.3Å; P181-M208 HydrophobicContact CG-CG 3.57Å; P181-M208 HydrophobicContact CG-SD 4.04Å; H182-M208 HydrophobicContact CB-CE 4.23Å; H182-M208 WeakPolarHBondContact CD2-CE 3.49Å; H182-M208 PolarHBondContact CE1-SD 2.88Å; H182-M208 WeakPolarHBondContact NE2-CE 3.38Å; H182-M208 PolarHBondContact NE2-SD 2.97Å; H182-M208 VanDerWaalsContact NE2-SD 3.4Å; A204-M208 WeakPolarHBondContact O-CB 3.31Å; A204-M208 PolarHBondContact O-N 3Å; W205-M208 HydrophobicContact CB-CE 4.46Å; W205-M208 HydrophobicContact CD2-CE 4.2Å; W205-M208 HydrophobicContact CG-CE 3.83Å; W205-M208 WeakPolarHBondContact O-CE 3.49Å; W205-M208 PolarHBondContact O-N 3.4Å; N206-M208 VanDerWaalsContact C-N 3.28Å; N206-M208 PolarHBondContact O-N 3.4Å; M208-D210 VanDerWaalsContact C-N 3.32Å; M208-D210 PolarHBondContact O-N 3.25Å; M208-S211 PolarHBondContact O-N 3.11Å; M208-S211 PolarHBondContact O-OG 3.21Å; M208-S211 VanDerWaalsContact O-OG 3.14Å; M208-L212 PolarHBondContact O-N 3.25Å; M208-F217 HydrophobicContact CG-CZ 4.4Å; M208-F217 HydrophobicContact SD-CZ 4.38Å; M208-C229 VanDerWaalsContact CA-SG 3.57Å; M208-C229 HydrophobicContact CB-CB 3.92Å |
| 209 | N | 94.9 | Very high | 94.6 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 20% | 0.198 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.9 | -33.1 | 172.3 | -84.2 | -18.4 | 0 | 0 | 0 | 112.5 | H182 W205 N206 | H182-N209 PolarHBondContact NE2-OD1 2.82Å; W205-N209 WeakPolarHBondContact O-CB 3.14Å; W205-N209 PolarHBondContact O-N 3.46Å; N206-N209 PolarHBondContact O-N 2.9Å |
| 210 | D | 94.3 | Very high | 94.5 | Very high | 31 Ų | 31 | 28.7 Ų | 28.7 | 17% | 0.166 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -75.2 | -37.8 | 175.5 | -81.2 | -22.8 | 0 | 0 | 0 | 112.1 | N206 Y207 M208 L212 R213 L268 Y269 | N206-D210 PolarHBondContact O-N 2.99Å; Y207-D210 PolarHBondContact O-N 3.26Å; M208-D210 VanDerWaalsContact C-N 3.32Å; M208-D210 PolarHBondContact O-N 3.25Å; D210-L212 PolarHBondContact O-N 3Å; D210-R213 WeakPolarHBondContact O-CB 3.38Å; D210-R213 PolarHBondContact O-N 2.88Å; D210-R213 IonicContact OD1-CZ 2.67Å; D210-R213 IonicContact OD1-NH1 3.63Å; D210-R213 PolarHBondContact OD1-NH1 2.9Å; D210-R213 IonicContact OD1-NH2 3.42Å; D210-R213 PolarHBondContact OD1-NH2 3.08Å; D210-L268 HydrophobicContact CB-CD2 4.09Å; D210-L268 WeakPolarHBondContact O-CD2 3.28Å; D210-Y269 WeakPolarHBondContact CB-OH 3.48Å; D210-Y269 VanDerWaalsContact OD2-CE1 3.31Å; D210-Y269 WeakPolarHBondContact OD2-CE1 3.22Å; D210-Y269 PolarHBondContact OD2-OH 3.26Å |
| 211 | S | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.6 | -17.9 | -179.3 | 75.2 | 0 | 0 | 0 | 0 | 113.5 | Y207 M208 R213 T214 T265 | Y207-S211 WeakPolarHBondContact O-CB 3.4Å; Y207-S211 PolarHBondContact O-N 2.74Å; Y207-S211 PolarHBondContact O-OG 2.98Å; M208-S211 PolarHBondContact O-N 3.11Å; M208-S211 PolarHBondContact O-OG 3.21Å; M208-S211 VanDerWaalsContact O-OG 3.14Å; S211-R213 PolarHBondContact O-N 3.22Å; S211-T214 WeakPolarHBondContact O-CA 3.28Å; S211-T214 WeakPolarHBondContact O-CB 3.23Å; S211-T214 PolarHBondContact O-N 3.23Å; S211-T214 PolarHBondContact O-OG1 2.95Å; S211-T265 WeakPolarHBondContact CB-OG1 3.2Å |
| 212 | L | 94.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.2 | 165.7 | -75.4 | 164.4 | 0 | 0 | 0 | 113.8 | A85 V89 H92 M208 D210 T214 F217 | A85-L212 HydrophobicContact CB-CD1 3.66Å; A85-L212 HydrophobicContact CB-CD2 3.87Å; A85-L212 HydrophobicContact CB-CG 4.46Å; V89-L212 HydrophobicContact CG2-CD2 4.11Å; H92-L212 PolarHBondContact NE2-O 2.94Å; M208-L212 PolarHBondContact O-N 3.25Å; D210-L212 PolarHBondContact O-N 3Å; L212-T214 PolarHBondContact O-N 3.35Å; L212-F217 HydrophobicContact CB-CE2 4.29Å; L212-F217 HydrophobicContact CD2-CD1 3.83Å; L212-F217 HydrophobicContact CD2-CD2 3.81Å; L212-F217 HydrophobicContact CD2-CE1 3.52Å; L212-F217 HydrophobicContact CD2-CE2 3.54Å; L212-F217 HydrophobicContact CD2-CG 3.95Å; L212-F217 HydrophobicContact CD2-CZ 3.38Å; L212-F217 HydrophobicContact CG-CD2 4.2Å; L212-F217 HydrophobicContact CG-CE1 4.31Å; L212-F217 HydrophobicContact CG-CE2 3.6Å; L212-F217 HydrophobicContact CG-CZ 3.66Å |
| 213 | R | 94.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 29.2 Ų | 29.2 | 22% | 0.223 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11.4 | 174.6 | -53.3 | -169.2 | -160 | 99.2 | 24 | 112.9 | I64 C67 D210 S211 L268 | I64-R213 HydrophobicContact CG2-CB 4.5Å; C67-R213 HydrophobicContact CB-CB 4.35Å; C67-R213 HydrophobicContact CB-CG 4.18Å; D210-R213 WeakPolarHBondContact O-CB 3.38Å; D210-R213 PolarHBondContact O-N 2.88Å; D210-R213 IonicContact OD1-CZ 2.67Å; D210-R213 IonicContact OD1-NH1 3.63Å; D210-R213 PolarHBondContact OD1-NH1 2.9Å; D210-R213 IonicContact OD1-NH2 3.42Å; D210-R213 PolarHBondContact OD1-NH2 3.08Å; S211-R213 PolarHBondContact O-N 3.22Å; R213-L268 HydrophobicContact CB-CD1 4.15Å; R213-L268 HydrophobicContact CB-CD2 4.21Å |
| 214 | T | 94.1 | Very high | 94.4 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 9% | 0.092 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -104.2 | 176.3 | 179.6 | 79 | 0 | 0 | 0 | 0 | 111.2 | H92 S211 L212 V216 T264 | H92-T214 PolarHBondContact CE1-O 3.33Å; H92-T214 PolarHBondContact NE2-O 2.84Å; S211-T214 WeakPolarHBondContact O-CA 3.28Å; S211-T214 WeakPolarHBondContact O-CB 3.23Å; S211-T214 PolarHBondContact O-N 3.23Å; S211-T214 PolarHBondContact O-OG1 2.95Å; L212-T214 PolarHBondContact O-N 3.35Å; T214-V216 VanDerWaalsContact C-N 3.35Å; T214-V216 PolarHBondContact O-N 3.27Å; T214-V216 PolarHBondContact OG1-N 2.91Å; T214-T264 HydrophobicContact CG2-CG2 4.37Å |
| 215 | N | 92.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 28.3 Ų | 28.3 | 20% | 0.203 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -84.3 | 3.3 | -179.2 | 65.9 | -11.7 | 0 | 0 | 0 | 115 | Y96 F217 V218 R219 | Y96-N215 HydrophobicContact CE2-CB 3.9Å; Y96-N215 WeakPolarHBondContact OH-CB 3.36Å; Y96-N215 PolarHBondContact OH-ND2 3.36Å; N215-F217 VanDerWaalsContact C-N 3.27Å; N215-F217 PolarHBondContact O-N 3.01Å; N215-V218 HydrophobicContact CB-CG2 4.18Å; N215-V218 WeakPolarHBondContact O-CG2 3.28Å; N215-V218 PolarHBondContact O-N 3.4Å; N215-R219 PolarHBondContact O-N 2.86Å |
| 216 | V | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -59.6 | -37.8 | -173.9 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | T214 V218 R219 F220 I225 I261 T264 | T214-V216 VanDerWaalsContact C-N 3.35Å; T214-V216 PolarHBondContact O-N 3.27Å; T214-V216 PolarHBondContact OG1-N 2.91Å; V216-V218 PolarHBondContact O-N 3.39Å; V216-R219 PolarHBondContact O-N 3.12Å; V216-F220 HydrophobicContact CB-CD2 3.96Å; V216-F220 HydrophobicContact CB-CE2 4.41Å; V216-F220 HydrophobicContact CG1-CD2 4.3Å; V216-F220 HydrophobicContact CG1-CE2 4.26Å; V216-F220 PolarHBondContact O-N 3.4Å; V216-I225 HydrophobicContact CG2-CD1 4.37Å; V216-I261 HydrophobicContact CB-CG1 4.41Å; V216-I261 HydrophobicContact CB-CG2 4.39Å; V216-I261 HydrophobicContact CG1-CB 4.39Å; V216-I261 HydrophobicContact CG1-CG1 4.2Å; V216-I261 HydrophobicContact CG1-CG2 4.12Å; V216-T264 HydrophobicContact CG1-CG2 3.78Å |
| 217 | F | 93.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 2% | 0.022 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -64.5 | -8 | 177.2 | -83 | -98.4 | 0 | 0 | 0 | 115.5 | V89 P181 M208 L212 N215 I225 | V89-F217 HydrophobicContact CG2-CB 3.81Å; V89-F217 HydrophobicContact CG2-CD1 3.73Å; V89-F217 HydrophobicContact CG2-CG 4Å; P181-F217 VanDerWaalsContact CD-CE1 3.45Å; P181-F217 HydrophobicContact CG-CE1 3.75Å; P181-F217 HydrophobicContact CG-CZ 3.65Å; M208-F217 HydrophobicContact CG-CZ 4.4Å; M208-F217 HydrophobicContact SD-CZ 4.38Å; L212-F217 HydrophobicContact CB-CE2 4.29Å; L212-F217 HydrophobicContact CD2-CD1 3.83Å; L212-F217 HydrophobicContact CD2-CD2 3.81Å; L212-F217 HydrophobicContact CD2-CE1 3.52Å; L212-F217 HydrophobicContact CD2-CE2 3.54Å; L212-F217 HydrophobicContact CD2-CG 3.95Å; L212-F217 HydrophobicContact CD2-CZ 3.38Å; L212-F217 HydrophobicContact CG-CD2 4.2Å; L212-F217 HydrophobicContact CG-CE1 4.31Å; L212-F217 HydrophobicContact CG-CE2 3.6Å; L212-F217 HydrophobicContact CG-CZ 3.66Å; N215-F217 VanDerWaalsContact C-N 3.27Å; N215-F217 PolarHBondContact O-N 3.01Å; F217-I225 HydrophobicContact CD1-CD1 4.5Å; F217-I225 HydrophobicContact CD2-CD1 4.46Å; F217-I225 HydrophobicContact CE2-CG2 4.32Å; F217-I225 HydrophobicContact CG-CD1 4.29Å; F217-I225 HydrophobicContact CZ-CG2 4.44Å |
| 218 | V | 91.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -118.6 | 4.8 | 173.2 | -59 | 0 | 0 | 0 | 0 | 113 | I39 V89 H92 R93 Y96 N215 V216 | I39-V218 WeakPolarHBondContact CB-O 3.34Å; I39-V218 HydrophobicContact CD1-CB 3.78Å; I39-V218 HydrophobicContact CD1-CG1 4.36Å; I39-V218 HydrophobicContact CD1-CG2 4.02Å; I39-V218 HydrophobicContact CG1-CB 4.06Å; I39-V218 PolarHBondContact N-O 2.9Å; V89-V218 HydrophobicContact CG1-CG1 4.37Å; H92-V218 HydrophobicContact CB-CG1 3.86Å; H92-V218 HydrophobicContact CB-CG2 4.45Å; R93-V218 HydrophobicContact CG-CG1 3.6Å; Y96-V218 HydrophobicContact CD2-CG2 3.75Å; Y96-V218 HydrophobicContact CE2-CG2 3.64Å; N215-V218 HydrophobicContact CB-CG2 4.18Å; N215-V218 WeakPolarHBondContact O-CG2 3.28Å; N215-V218 PolarHBondContact O-N 3.4Å; V216-V218 PolarHBondContact O-N 3.39Å |
| 219 | R | 92.7 | Very high | 94.6 | Very high | 39 Ų | 39 | 18.9 Ų | 18.9 | 15% | 0.147 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -35.6 | 178.9 | -73.7 | -168.9 | 65.6 | -155.9 | -4.2 | 113.9 | V38 E41 L44 N215 V216 E260 | V38-R219 WeakPolarHBondContact CG1-O 3.33Å; E41-R219 IonicContact OE1-NH2 3.25Å; E41-R219 PolarHBondContact OE1-NH2 3.41Å; L44-R219 HydrophobicContact CD1-CG 3.72Å; L44-R219 VanDerWaalsContact CD1-NE 3.33Å; L44-R219 HydrophobicContact CD2-CG 3.85Å; L44-R219 HydrophobicContact CG-CG 4.46Å; N215-R219 PolarHBondContact O-N 2.86Å; V216-R219 PolarHBondContact O-N 3.12Å; R219-E260 IonicContact CZ-OE1 2.72Å; R219-E260 IonicContact CZ-OE2 2.61Å; R219-E260 IonicContact NH1-OE1 3.88Å; R219-E260 PolarHBondContact NH1-OE1 3.1Å; R219-E260 IonicContact NH1-OE2 3.66Å; R219-E260 PolarHBondContact NH1-OE2 3.31Å; R219-E260 IonicContact NH2-OE1 3.32Å; R219-E260 PolarHBondContact NH2-OE1 3.4Å; R219-E260 IonicContact NH2-OE2 2.67Å; R219-E260 PolarHBondContact NH2-OE2 3.33Å |
| 220 | F | 93.7 | Very high | 94.6 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 5% | 0.053 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -122.3 | 159.7 | -172.4 | -54.5 | -79.8 | 0 | 0 | 0 | 111.1 | V216 I225 E257 E260 I261 | V216-F220 HydrophobicContact CB-CD2 3.96Å; V216-F220 HydrophobicContact CB-CE2 4.41Å; V216-F220 HydrophobicContact CG1-CD2 4.3Å; V216-F220 HydrophobicContact CG1-CE2 4.26Å; V216-F220 PolarHBondContact O-N 3.4Å; F220-I225 HydrophobicContact CB-CD1 4.29Å; F220-I225 HydrophobicContact CB-CG1 3.96Å; F220-E257 HydrophobicContact CD1-CB 4.11Å; F220-E257 HydrophobicContact CD1-CG 3.98Å; F220-E257 HydrophobicContact CE1-CB 4.06Å; F220-E257 HydrophobicContact CE1-CG 3.93Å; F220-E260 HydrophobicContact CZ-CB 4.4Å; F220-E260 HydrophobicContact CZ-CG 4.37Å; F220-I261 HydrophobicContact CB-CD1 3.89Å; F220-I261 HydrophobicContact CD1-CD1 4.08Å; F220-I261 HydrophobicContact CD1-CG1 4.34Å; F220-I261 HydrophobicContact CD2-CD1 3.77Å; F220-I261 HydrophobicContact CD2-CG1 3.43Å; F220-I261 VanDerWaalsContact CD2-CG1 3.43Å; F220-I261 HydrophobicContact CE1-CG1 4.45Å; F220-I261 HydrophobicContact CE2-CD1 4.31Å; F220-I261 HydrophobicContact CE2-CG1 3.57Å; F220-I261 HydrophobicContact CG-CD1 3.64Å; F220-I261 HydrophobicContact CG-CG1 3.85Å; F220-I261 HydrophobicContact CZ-CG1 4.09Å |
| 221 | Q | 93.2 | Very high | 94.7 | Very high | 78 Ų | 78 | 17.7 Ų | 17.7 | 36% | 0.364 | 8% | 0.08 | S | C | . | . | trans | -75.4 | 149.7 | 174.2 | -62.7 | -59.7 | -0.1 | 0 | 0 | 111.3 | N36 E223 T224 I225 | N36-Q221 PolarHBondContact ND2-OE1 3.22Å; Q221-E223 PolarHBondContact O-N 2.84Å; Q221-T224 WeakPolarHBondContact O-CB 3.28Å; Q221-T224 PolarHBondContact O-N 3.14Å; Q221-T224 VanDerWaalsContact O-N 3.11Å; Q221-I225 WeakPolarHBondContact O-CG1 3.23Å; Q221-I225 PolarHBondContact O-N 3.15Å | ||
| 222 | P | 93.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.1 | -24.8 | -175.6 | 27.5 | -35.7 | 0 | 0 | 0 | 112.6 | K179 P181 I184 I225 A226 | K179-P222 HydrophobicContact CB-CG 3.85Å; P181-P222 HydrophobicContact CB-CB 4.18Å; P181-P222 WeakPolarHBondContact CB-O 3.44Å; I184-P222 HydrophobicContact CD1-CB 3.94Å; I184-P222 HydrophobicContact CD1-CG 4.15Å; P222-I225 PolarHBondContact O-N 2.9Å; P222-A226 WeakPolarHBondContact O-CB 3.46Å; P222-A226 PolarHBondContact O-N 3.3Å |
| 223 | E | 94.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 18.3 Ų | 18.3 | 30% | 0.304 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -59.8 | -54.9 | 169.8 | -64.2 | 70.4 | -154 | 0 | 0 | 110.7 | I184 Y188 Q221 I225 A226 C227 | I184-E223 HydrophobicContact CD1-CG 4.2Å; Y188-E223 WeakPolarHBondContact OH-CB 3.35Å; Y188-E223 WeakPolarHBondContact OH-CG 3.49Å; Q221-E223 PolarHBondContact O-N 2.84Å; E223-I225 VanDerWaalsContact C-N 3.33Å; E223-I225 PolarHBondContact O-N 3.47Å; E223-A226 WeakPolarHBondContact O-CB 3.33Å; E223-A226 PolarHBondContact O-N 3.39Å; E223-C227 PolarHBondContact O-N 2.85Å; E223-C227 PolarHBondContact O-SG 3.36Å |
| 224 | T | 95.5 | Very high | 94.7 | Very high | 10 Ų | 10 | 15.6 Ų | 15.6 | 6% | 0.061 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 175.7 | -42.8 | 0 | 0 | 0 | 0 | 112.3 | Q221 C227 A228 A253 E257 I261 | Q221-T224 WeakPolarHBondContact O-CB 3.28Å; Q221-T224 PolarHBondContact O-N 3.14Å; Q221-T224 VanDerWaalsContact O-N 3.11Å; T224-C227 PolarHBondContact O-N 2.86Å; T224-A228 WeakPolarHBondContact O-CB 3.47Å; T224-A228 PolarHBondContact O-N 2.96Å; T224-A253 HydrophobicContact CG2-CB 4Å; T224-E257 HydrophobicContact CG2-CB 3.55Å; T224-E257 HydrophobicContact CG2-CG 4.19Å; T224-I261 HydrophobicContact CG2-CD1 3.84Å |
| 225 | I | 96.2 | Very high | 94.7 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.7 | -63.3 | 167.2 | 0 | 0 | 0 | 111 | P181 V216 F217 F220 Q221 P222 E223 A228 C229 I261 | P181-I225 HydrophobicContact CB-CG2 4.43Å; P181-I225 HydrophobicContact CG-CG2 4.15Å; V216-I225 HydrophobicContact CG2-CD1 4.37Å; F217-I225 HydrophobicContact CD1-CD1 4.5Å; F217-I225 HydrophobicContact CD2-CD1 4.46Å; F217-I225 HydrophobicContact CE2-CG2 4.32Å; F217-I225 HydrophobicContact CG-CD1 4.29Å; F217-I225 HydrophobicContact CZ-CG2 4.44Å; F220-I225 HydrophobicContact CB-CD1 4.29Å; F220-I225 HydrophobicContact CB-CG1 3.96Å; Q221-I225 WeakPolarHBondContact O-CG1 3.23Å; Q221-I225 PolarHBondContact O-N 3.15Å; P222-I225 PolarHBondContact O-N 2.9Å; E223-I225 VanDerWaalsContact C-N 3.33Å; E223-I225 PolarHBondContact O-N 3.47Å; I225-A228 PolarHBondContact O-N 3.47Å; I225-C229 PolarHBondContact O-N 3.08Å; I225-C229 PolarHBondContact O-SG 3.5Å; I225-C229 VanDerWaalsContact O-SG 3.4Å; I225-I261 HydrophobicContact CG1-CD1 4.18Å |
| 226 | A | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | P181 I184 V185 Y188 P222 E223 A228 C229 M230 | P181-A226 HydrophobicContact CB-CB 4.11Å; I184-A226 HydrophobicContact CB-CB 3.89Å; I184-A226 HydrophobicContact CG2-CB 3.73Å; V185-A226 HydrophobicContact CG2-CB 3.6Å; Y188-A226 HydrophobicContact CD2-CB 4.27Å; Y188-A226 HydrophobicContact CE2-CB 4.32Å; P222-A226 WeakPolarHBondContact O-CB 3.46Å; P222-A226 PolarHBondContact O-N 3.3Å; E223-A226 WeakPolarHBondContact O-CB 3.33Å; E223-A226 PolarHBondContact O-N 3.39Å; A226-A228 PolarHBondContact O-N 2.97Å; A226-C229 PolarHBondContact O-N 3.39Å; A226-M230 WeakPolarHBondContact O-CB 3.36Å; A226-M230 VanDerWaalsContact O-CG 3.3Å; A226-M230 WeakPolarHBondContact O-CG 3.41Å; A226-M230 PolarHBondContact O-N 3.49Å |
| 227 | C | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 175.1 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | E223 T224 M230 Y231 W247 A253 I258 | E223-C227 PolarHBondContact O-N 2.85Å; E223-C227 PolarHBondContact O-SG 3.36Å; T224-C227 PolarHBondContact O-N 2.86Å; C227-M230 PolarHBondContact O-N 2.9Å; C227-Y231 VanDerWaalsContact O-CB 3.29Å; C227-Y231 WeakPolarHBondContact O-CB 3.36Å; C227-Y231 PolarHBondContact O-N 3.26Å; C227-W247 HydrophobicContact CB-CH2 4.1Å; C227-W247 HydrophobicContact CB-CZ3 4.25Å; C227-W247 WeakPolarHBondContact O-CH2 3.36Å; C227-A253 HydrophobicContact CB-CB 3.94Å; C227-I258 HydrophobicContact CB-CD1 3.92Å; C227-I258 HydrophobicContact CB-CG1 4.32Å |
| 228 | A | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T224 I225 A226 Y231 L232 I258 I261 C262 | T224-A228 WeakPolarHBondContact O-CB 3.47Å; T224-A228 PolarHBondContact O-N 2.96Å; I225-A228 PolarHBondContact O-N 3.47Å; A226-A228 PolarHBondContact O-N 2.97Å; A228-Y231 PolarHBondContact O-N 3.21Å; A228-L232 WeakPolarHBondContact O-CB 3.46Å; A228-L232 PolarHBondContact O-N 3Å; A228-I258 HydrophobicContact CB-CB 4.46Å; A228-I258 HydrophobicContact CB-CG1 4.24Å; A228-I258 HydrophobicContact CB-CG2 4.43Å; A228-I261 HydrophobicContact CB-CB 3.59Å; A228-I261 HydrophobicContact CB-CD1 3.97Å; A228-I261 HydrophobicContact CB-CG1 4.4Å; A228-I261 HydrophobicContact CB-CG2 3.4Å; A228-C262 PolarHBondContact O-SG 3.5Å |
| 229 | C | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.7 | -34.1 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | M208 I225 A226 A233 | M208-C229 VanDerWaalsContact CA-SG 3.57Å; M208-C229 HydrophobicContact CB-CB 3.92Å; I225-C229 PolarHBondContact O-N 3.08Å; I225-C229 PolarHBondContact O-SG 3.5Å; I225-C229 VanDerWaalsContact O-SG 3.4Å; A226-C229 PolarHBondContact O-N 3.39Å; C229-A233 WeakPolarHBondContact O-CB 3.47Å; C229-A233 PolarHBondContact O-N 2.58Å; C229-A233 VanDerWaalsContact O-N 3.07Å |
| 230 | M | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -45.9 | 169.6 | -73 | 166.5 | 56.7 | 0 | 0 | 112.2 | V185 Y188 L189 L192 A204 A226 C227 L232 A233 A234 W247 | V185-M230 HydrophobicContact CG1-CG 4.04Å; Y188-M230 VanDerWaalsContact CB-SD 3.54Å; Y188-M230 HydrophobicContact CD2-SD 4.14Å; Y188-M230 HydrophobicContact CG-SD 4.39Å; L189-M230 HydrophobicContact CD1-CG 4.3Å; L189-M230 HydrophobicContact CD2-CE 3.81Å; L189-M230 HydrophobicContact CD2-CG 4.28Å; L189-M230 HydrophobicContact CG-CE 3.86Å; L189-M230 HydrophobicContact CG-CG 4.06Å; L189-M230 HydrophobicContact CG-SD 4.13Å; L192-M230 HydrophobicContact CD1-CE 3.68Å; A204-M230 HydrophobicContact CB-CG 4.29Å; A226-M230 WeakPolarHBondContact O-CB 3.36Å; A226-M230 VanDerWaalsContact O-CG 3.3Å; A226-M230 WeakPolarHBondContact O-CG 3.41Å; A226-M230 PolarHBondContact O-N 3.49Å; C227-M230 PolarHBondContact O-N 2.9Å; M230-L232 VanDerWaalsContact C-N 3.34Å; M230-L232 PolarHBondContact O-N 3.13Å; M230-A233 PolarHBondContact O-N 2.64Å; M230-A234 WeakPolarHBondContact O-CB 3.47Å; M230-A234 PolarHBondContact O-N 2.97Å; M230-W247 HydrophobicContact CB-CH2 3.8Å; M230-W247 HydrophobicContact CB-CZ2 4.35Å; M230-W247 HydrophobicContact CE-CE3 4.38Å; M230-W247 HydrophobicContact CE-CH2 3.69Å; M230-W247 HydrophobicContact CE-CZ3 3.56Å; M230-W247 HydrophobicContact SD-CH2 4.31Å; M230-W247 HydrophobicContact SD-CZ3 4.37Å |
| 231 | Y | 95.4 | Very high | 94.2 | Very high | 42 Ų | 42 | 41.9 Ų | 41.9 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 177.4 | 178.8 | -88.7 | 0 | 0 | 0 | 111.3 | C227 A228 A234 R235 Y248 I258 | C227-Y231 VanDerWaalsContact O-CB 3.29Å; C227-Y231 WeakPolarHBondContact O-CB 3.36Å; C227-Y231 PolarHBondContact O-N 3.26Å; A228-Y231 PolarHBondContact O-N 3.21Å; Y231-A234 PolarHBondContact O-N 3.49Å; Y231-R235 VanDerWaalsContact CE1-CD 3.43Å; Y231-R235 HydrophobicContact CE1-CG 4.33Å; Y231-R235 WeakPolarHBondContact O-CG 3.33Å; Y231-R235 PolarHBondContact O-N 3.21Å; Y231-Y248 HydrophobicContact CD2-CD1 4.46Å; Y231-Y248 HydrophobicContact CD2-CE1 4.45Å; Y231-Y248 HydrophobicContact CE2-CE1 4.39Å; Y231-I258 HydrophobicContact CD1-CG2 3.72Å; Y231-I258 HydrophobicContact CD2-CG2 4.15Å; Y231-I258 HydrophobicContact CE1-CG2 4.18Å; Y231-I258 HydrophobicContact CG-CG2 3.7Å |
| 232 | L | 95.4 | Very high | 94 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 177 | -171.2 | 58 | 0 | 0 | 0 | 111.9 | Y207 A228 M230 R235 A236 C262 T265 L266 | Y207-L232 HydrophobicContact CD1-CD2 3.59Å; Y207-L232 HydrophobicContact CD1-CG 4.24Å; Y207-L232 HydrophobicContact CD2-CB 4.17Å; Y207-L232 HydrophobicContact CD2-CD2 4.02Å; Y207-L232 HydrophobicContact CD2-CG 3.88Å; Y207-L232 HydrophobicContact CE1-CD2 3.84Å; Y207-L232 HydrophobicContact CE1-CG 4.18Å; Y207-L232 HydrophobicContact CE2-CB 4.39Å; Y207-L232 HydrophobicContact CE2-CD2 4.23Å; Y207-L232 HydrophobicContact CE2-CG 3.8Å; Y207-L232 HydrophobicContact CG-CD2 3.71Å; Y207-L232 HydrophobicContact CG-CG 4.12Å; A228-L232 WeakPolarHBondContact O-CB 3.46Å; A228-L232 PolarHBondContact O-N 3Å; M230-L232 VanDerWaalsContact C-N 3.34Å; M230-L232 PolarHBondContact O-N 3.13Å; L232-R235 PolarHBondContact O-N 3.48Å; L232-A236 WeakPolarHBondContact O-CB 3.32Å; L232-A236 PolarHBondContact O-N 2.7Å; L232-C262 HydrophobicContact CD1-CB 4.4Å; L232-T265 HydrophobicContact CD2-CG2 4.3Å; L232-L266 HydrophobicContact CD1-CD1 3.96Å; L232-L266 HydrophobicContact CD1-CD2 4.2Å; L232-L266 HydrophobicContact CD1-CG 4.11Å; L232-L266 HydrophobicContact CD2-CD2 4.45Å; L232-L266 HydrophobicContact CD2-CG 4.36Å |
| 233 | A | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L200 T203 A204 Y207 C229 M230 R235 A236 L237 | L200-A233 HydrophobicContact CD1-CB 3.71Å; T203-A233 HydrophobicContact CG2-CB 3.69Å; A204-A233 HydrophobicContact CB-CB 3.81Å; Y207-A233 HydrophobicContact CD2-CB 4.13Å; Y207-A233 HydrophobicContact CE2-CB 4.37Å; C229-A233 WeakPolarHBondContact O-CB 3.47Å; C229-A233 PolarHBondContact O-N 2.58Å; C229-A233 VanDerWaalsContact O-N 3.07Å; M230-A233 PolarHBondContact O-N 2.64Å; A233-R235 PolarHBondContact O-N 2.54Å; A233-A236 PolarHBondContact O-N 3.02Å; A233-L237 WeakPolarHBondContact O-CB 3.48Å; A233-L237 WeakPolarHBondContact O-CG 3.22Å; A233-L237 PolarHBondContact O-N 3.3Å |
| 234 | A | 94.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L200 M230 Y231 L237 Q238 I239 L241 | L200-A234 HydrophobicContact CD1-CB 4.2Å; M230-A234 WeakPolarHBondContact O-CB 3.47Å; M230-A234 PolarHBondContact O-N 2.97Å; Y231-A234 PolarHBondContact O-N 3.49Å; A234-L237 CarbonylContact O-C 2.94Å; A234-L237 PolarHBondContact O-N 3.13Å; A234-Q238 PolarHBondContact O-N 2.97Å; A234-I239 HydrophobicContact CB-CB 4.41Å; A234-I239 PolarHBondContact O-N 3.11Å; A234-L241 HydrophobicContact CB-CD1 3.49Å; A234-L241 VanDerWaalsContact CB-CD1 3.49Å; A234-L241 HydrophobicContact CB-CG 3.89Å |
| 235 | R | 93.9 | Very high | 92.7 | Very high | 173 Ų | 173 | 57.7 Ų | 57.7 | 65% | 0.653 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66 | -39.6 | 174.5 | -71.8 | -167 | 69.1 | -143.8 | -1.9 | 113.1 | Y231 L232 A233 L237 Q238 | Y231-R235 VanDerWaalsContact CE1-CD 3.43Å; Y231-R235 HydrophobicContact CE1-CG 4.33Å; Y231-R235 WeakPolarHBondContact O-CG 3.33Å; Y231-R235 PolarHBondContact O-N 3.21Å; L232-R235 PolarHBondContact O-N 3.48Å; A233-R235 PolarHBondContact O-N 2.54Å; R235-L237 VanDerWaalsContact C-N 3.3Å; R235-L237 PolarHBondContact O-N 3.5Å; R235-Q238 PolarHBondContact O-N 3.25Å |
| 236 | A | 93.8 | Very high | 92.4 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -33.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y207 L232 A233 | Y207-A236 HydrophobicContact CE2-CB 4.23Å; L232-A236 WeakPolarHBondContact O-CB 3.32Å; L232-A236 PolarHBondContact O-N 2.7Å; A233-A236 PolarHBondContact O-N 3.02Å |
| 237 | L | 94.5 | Very high | 92.2 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.9 | 177.9 | -62.3 | 174.2 | 0 | 0 | 0 | 113.8 | L200 A233 A234 R235 I239 | L200-L237 HydrophobicContact CB-CD1 4.02Å; L200-L237 HydrophobicContact CD1-CD1 4.25Å; A233-L237 WeakPolarHBondContact O-CB 3.48Å; A233-L237 WeakPolarHBondContact O-CG 3.22Å; A233-L237 PolarHBondContact O-N 3.3Å; A234-L237 CarbonylContact O-C 2.94Å; A234-L237 PolarHBondContact O-N 3.13Å; R235-L237 VanDerWaalsContact C-N 3.3Å; R235-L237 PolarHBondContact O-N 3.5Å; L237-I239 HydrophobicContact CB-CD1 3.68Å; L237-I239 HydrophobicContact CB-CG1 3.91Å; L237-I239 HydrophobicContact CD1-CD1 3.95Å; L237-I239 HydrophobicContact CG-CD1 4.5Å; L237-I239 PolarHBondContact O-N 2.98Å |
| 238 | Q | 93.2 | Very high | 92 | Very high | 181 Ų | 181 | 61.4 Ų | 61.4 | 85% | 0.846 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29.6 | -176.5 | -55.2 | -175.2 | -0.7 | 0 | 0 | 114.7 | A234 R235 | A234-Q238 PolarHBondContact O-N 2.97Å; R235-Q238 PolarHBondContact O-N 3.25Å |
| 239 | I | 91.3 | Very high | 91.7 | Very high | 39 Ų | 39 | 65.8 Ų | 65.8 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | trans | -83.8 | 122 | 179.5 | -63.2 | 166.4 | 0 | 0 | 0 | 109.3 | N197 L200 A234 L237 L241 | N197-I239 VanDerWaalsContact ND2-CD1 3.29Å; N197-I239 WeakPolarHBondContact ND2-CD1 3.27Å; L200-I239 HydrophobicContact CB-CD1 3.86Å; L200-I239 HydrophobicContact CD1-CD1 4.2Å; L200-I239 HydrophobicContact CD2-CD1 3.91Å; L200-I239 HydrophobicContact CD2-CG2 4.47Å; L200-I239 HydrophobicContact CG-CD1 4.2Å; A234-I239 HydrophobicContact CB-CB 4.41Å; A234-I239 PolarHBondContact O-N 3.11Å; L237-I239 HydrophobicContact CB-CD1 3.68Å; L237-I239 HydrophobicContact CB-CG1 3.91Å; L237-I239 HydrophobicContact CD1-CD1 3.95Å; L237-I239 HydrophobicContact CG-CD1 4.5Å; L237-I239 PolarHBondContact O-N 2.98Å; I239-L241 HydrophobicContact CG2-CD2 4.42Å; I239-L241 PolarHBondContact O-N 3.49Å | ||
| 240 | P | 87.6 | Confident | 91.3 | Very high | 121 Ų | 121 | 71 Ų | 71 | 79% | 0.786 | 36% | 0.362 | S | S | * | . | trans | -71.8 | 129.2 | 174.6 | 29.6 | -33.3 | 0 | 0 | 0 | 110.5 | ||||
| 241 | L | 87.7 | Confident | 91 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.131 | 37% | 0.369 | C | S | . | . | trans | -115.7 | 157.6 | 171.2 | -64.7 | -179.4 | 0 | 0 | 0 | 110.1 | A234 I239 T243 W247 | A234-L241 HydrophobicContact CB-CD1 3.49Å; A234-L241 VanDerWaalsContact CB-CD1 3.49Å; A234-L241 HydrophobicContact CB-CG 3.89Å; I239-L241 HydrophobicContact CG2-CD2 4.42Å; I239-L241 PolarHBondContact O-N 3.49Å; L241-T243 PolarHBondContact O-N 3.3Å; L241-W247 VanDerWaalsContact CB-CD1 3.48Å; L241-W247 HydrophobicContact CB-CG 4.35Å; L241-W247 HydrophobicContact CD1-CD2 4.46Å; L241-W247 HydrophobicContact CD1-CZ2 3.85Å | ||
| 242 | P | 87.6 | Confident | 90.7 | Very high | 74 Ų | 74 | 73.7 Ų | 73.7 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | trans | -58.7 | 130.3 | -173.6 | -25.1 | 33.9 | 0 | 0 | 0 | 114.3 | W247 | P242-W247 HydrophobicContact CB-CB 4.19Å; P242-W247 HydrophobicContact CG-CB 4.37Å; P242-W247 VanDerWaalsContact O-CD1 3.31Å; P242-W247 PolarHBondContact O-N 2.87Å | ||
| 243 | T | 86.1 | Confident | 90.5 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 52% | 0.515 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -113.7 | -7.7 | -176.3 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | L241 P245 H246 | L241-T243 PolarHBondContact O-N 3.3Å; T243-P245 CarbonylContact C-O 3.32Å; T243-P245 CarbonylContact O-C 3.52Å; T243-H246 PolarHBondContact O-N 3.33Å |
| 244 | R | 86.2 | Confident | 90.4 | Very high | 239 Ų | 239 | 75.8 Ų | 75.8 | 90% | 0.902 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 96.5 | -179.8 | -66.8 | -173.1 | 179.1 | 126.2 | -1.2 | 111.7 | ||
| 245 | P | 84.5 | Confident | 90.3 | Very high | 91 Ų | 91 | 78.2 Ų | 78.2 | 59% | 0.591 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -63.4 | 166.2 | -15.6 | 31.2 | -36.3 | 0 | 0 | 0 | 111.3 | T243 W247 L249 | T243-P245 CarbonylContact C-O 3.32Å; T243-P245 CarbonylContact O-C 3.52Å; P245-W247 PolarHBondContact O-N 3.29Å; P245-L249 HydrophobicContact CB-CD1 4.47Å |
| 246 | H | 90.6 | Very high | 90.3 | Very high | 67 Ų | 67 | 75.9 Ų | 75.9 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -63.3 | 127.1 | 173.1 | -79.9 | -72.9 | 0 | 0 | 0 | 111 | T243 Y248 L249 | T243-H246 PolarHBondContact O-N 3.33Å; H246-Y248 HydrophobicContact CB-CD1 4.14Å; H246-Y248 HydrophobicContact CB-CD2 4.33Å; H246-Y248 HydrophobicContact CB-CE1 3.61Å; H246-Y248 HydrophobicContact CB-CE2 3.81Å; H246-Y248 HydrophobicContact CB-CG 4.47Å; H246-Y248 VanDerWaalsContact CB-CZ 3.4Å; H246-Y248 PolarHBondContact CD2-OH 3.47Å; H246-Y248 AromaticContact CG-CE1 3.81Å; H246-Y248 AromaticContact CG-CZ 3.6Å; H246-Y248 VanDerWaalsContact CG-OH 3.24Å; H246-Y248 AromaticContact ND1-CE1 3.77Å; H246-Y248 AromaticContact ND1-CZ 3.97Å; H246-Y248 PolarHBondContact O-N 3.19Å; H246-L249 HydrophobicContact CB-CD1 4Å; H246-L249 HydrophobicContact CB-CG 4.11Å; H246-L249 WeakPolarHBondContact O-CB 3.44Å; H246-L249 WeakPolarHBondContact O-CG 3.4Å; H246-L249 PolarHBondContact O-N 3.44Å |
| 247 | W | 91.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 75.9 Ų | 75.9 | 3% | 0.03 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -53.4 | -32.9 | -173.2 | 66.8 | -94.4 | 0 | 0 | 0 | 114.5 | L192 C227 M230 L241 P242 P245 L249 L250 F251 | L192-W247 HydrophobicContact CD1-CD2 3.95Å; L192-W247 HydrophobicContact CD1-CE3 3.68Å; L192-W247 HydrophobicContact CD1-CG 4.36Å; L192-W247 HydrophobicContact CD1-CZ3 4.17Å; L192-W247 HydrophobicContact CD2-CB 4.05Å; C227-W247 HydrophobicContact CB-CH2 4.1Å; C227-W247 HydrophobicContact CB-CZ3 4.25Å; C227-W247 WeakPolarHBondContact O-CH2 3.36Å; M230-W247 HydrophobicContact CB-CH2 3.8Å; M230-W247 HydrophobicContact CB-CZ2 4.35Å; M230-W247 HydrophobicContact CE-CE3 4.38Å; M230-W247 HydrophobicContact CE-CH2 3.69Å; M230-W247 HydrophobicContact CE-CZ3 3.56Å; M230-W247 HydrophobicContact SD-CH2 4.31Å; M230-W247 HydrophobicContact SD-CZ3 4.37Å; L241-W247 VanDerWaalsContact CB-CD1 3.48Å; L241-W247 HydrophobicContact CB-CG 4.35Å; L241-W247 HydrophobicContact CD1-CD2 4.46Å; L241-W247 HydrophobicContact CD1-CZ2 3.85Å; P242-W247 HydrophobicContact CB-CB 4.19Å; P242-W247 HydrophobicContact CG-CB 4.37Å; P242-W247 VanDerWaalsContact O-CD1 3.31Å; P242-W247 PolarHBondContact O-N 2.87Å; P245-W247 PolarHBondContact O-N 3.29Å; W247-L249 VanDerWaalsContact C-N 3.29Å; W247-L249 PolarHBondContact O-N 3.12Å; W247-L250 WeakPolarHBondContact O-CB 3.45Å; W247-L250 PolarHBondContact O-N 3.34Å; W247-F251 AromaticContact CE3-CD2 3.9Å; W247-F251 HydrophobicContact CE3-CD2 3.9Å; W247-F251 AromaticContact CE3-CE2 3.76Å; W247-F251 HydrophobicContact CE3-CE2 3.76Å; W247-F251 AromaticContact CZ3-CD2 3.88Å; W247-F251 HydrophobicContact CZ3-CD2 3.88Å; W247-F251 AromaticContact CZ3-CE2 3.91Å; W247-F251 HydrophobicContact CZ3-CE2 3.91Å |
| 248 | Y | 91.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -72.7 | -20.5 | -176.8 | 52.5 | -107.3 | 0 | 0 | 0 | 113.5 | Y231 H246 L250 F251 A253 E255 I258 | Y231-Y248 HydrophobicContact CD2-CD1 4.46Å; Y231-Y248 HydrophobicContact CD2-CE1 4.45Å; Y231-Y248 HydrophobicContact CE2-CE1 4.39Å; H246-Y248 HydrophobicContact CB-CD1 4.14Å; H246-Y248 HydrophobicContact CB-CD2 4.33Å; H246-Y248 HydrophobicContact CB-CE1 3.61Å; H246-Y248 HydrophobicContact CB-CE2 3.81Å; H246-Y248 HydrophobicContact CB-CG 4.47Å; H246-Y248 VanDerWaalsContact CB-CZ 3.4Å; H246-Y248 PolarHBondContact CD2-OH 3.47Å; H246-Y248 AromaticContact CG-CE1 3.81Å; H246-Y248 AromaticContact CG-CZ 3.6Å; H246-Y248 VanDerWaalsContact CG-OH 3.24Å; H246-Y248 AromaticContact ND1-CE1 3.77Å; H246-Y248 AromaticContact ND1-CZ 3.97Å; H246-Y248 PolarHBondContact O-N 3.19Å; Y248-L250 PolarHBondContact O-N 3.38Å; Y248-F251 PolarHBondContact O-N 2.95Å; Y248-A253 WeakPolarHBondContact CD2-O 3.43Å; Y248-A253 PolarHBondContact O-N 3.42Å; Y248-E255 HydrophobicContact CE2-CB 4.13Å; Y248-E255 HydrophobicContact CE2-CG 4.49Å; Y248-E255 WeakPolarHBondContact OH-CB 3.45Å; Y248-E255 VanDerWaalsContact OH-CG 3.22Å; Y248-E255 WeakPolarHBondContact OH-CG 3.26Å; Y248-I258 HydrophobicContact CD1-CD1 3.84Å; Y248-I258 HydrophobicContact CD2-CD1 3.68Å; Y248-I258 HydrophobicContact CE1-CD1 4.48Å; Y248-I258 HydrophobicContact CE2-CD1 4.35Å; Y248-I258 HydrophobicContact CG-CD1 3.4Å |
| 249 | L | 91.5 | Very high | 90.5 | Very high | 94 Ų | 94 | 68 Ų | 68 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -65.5 | -28.9 | 175.9 | -60.1 | 172.8 | 0 | 0 | 0 | 111.7 | P245 H246 W247 F251 G252 | P245-L249 HydrophobicContact CB-CD1 4.47Å; H246-L249 HydrophobicContact CB-CD1 4Å; H246-L249 HydrophobicContact CB-CG 4.11Å; H246-L249 WeakPolarHBondContact O-CB 3.44Å; H246-L249 WeakPolarHBondContact O-CG 3.4Å; H246-L249 PolarHBondContact O-N 3.44Å; W247-L249 VanDerWaalsContact C-N 3.29Å; W247-L249 PolarHBondContact O-N 3.12Å; L249-F251 PolarHBondContact O-N 2.95Å; L249-G252 PolarHBondContact O-N 3.24Å; L249-G252 VanDerWaalsContact O-N 3.15Å |
| 250 | L | 88.3 | Confident | 90.7 | Very high | 111 Ų | 111 | 69.8 Ų | 69.8 | 58% | 0.581 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -64.1 | -19.2 | 174.4 | -58.7 | 175.4 | 0 | 0 | 0 | 112.8 | F191 W247 Y248 | F191-L250 HydrophobicContact CE1-CD1 4.12Å; W247-L250 WeakPolarHBondContact O-CB 3.45Å; W247-L250 PolarHBondContact O-N 3.34Å; Y248-L250 PolarHBondContact O-N 3.38Å |
| 251 | F | 89.3 | Confident | 91.1 | Very high | 34 Ų | 34 | 64 Ų | 64 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -106.8 | 9.7 | 179.6 | -55.8 | -48.5 | 0 | 0 | 0 | 112.7 | Y188 F191 W247 Y248 L249 A253 | Y188-F251 AromaticContact CD1-CD1 3.68Å; Y188-F251 HydrophobicContact CD1-CD1 3.68Å; Y188-F251 HydrophobicContact CD1-CD2 4.29Å; Y188-F251 AromaticContact CD1-CE1 3.43Å; Y188-F251 HydrophobicContact CD1-CE1 3.43Å; Y188-F251 VanDerWaalsContact CD1-CE1 3.43Å; Y188-F251 HydrophobicContact CD1-CE2 4.06Å; Y188-F251 HydrophobicContact CD1-CG 4.11Å; Y188-F251 AromaticContact CD1-CZ 3.63Å; Y188-F251 HydrophobicContact CD1-CZ 3.63Å; Y188-F251 HydrophobicContact CD2-CB 4.45Å; Y188-F251 HydrophobicContact CD2-CD1 4.33Å; Y188-F251 AromaticContact CD2-CD2 3.68Å; Y188-F251 HydrophobicContact CD2-CD2 3.68Å; Y188-F251 AromaticContact CD2-CE2 3.9Å; Y188-F251 HydrophobicContact CD2-CE2 3.9Å; Y188-F251 AromaticContact CD2-CG 3.9Å; Y188-F251 HydrophobicContact CD2-CG 3.9Å; Y188-F251 HydrophobicContact CD2-CZ 4.32Å; Y188-F251 HydrophobicContact CE1-CB 4.41Å; Y188-F251 AromaticContact CE1-CD1 3.36Å; Y188-F251 HydrophobicContact CE1-CD1 3.36Å; Y188-F251 HydrophobicContact CE1-CD2 4.44Å; Y188-F251 AromaticContact CE1-CE1 3.59Å; Y188-F251 HydrophobicContact CE1-CE1 3.59Å; Y188-F251 AromaticContact CE1-CG 3.83Å; Y188-F251 HydrophobicContact CE1-CG 3.83Å; Y188-F251 HydrophobicContact CE1-CZ 4.21Å; Y188-F251 HydrophobicContact CE2-CB 3.74Å; Y188-F251 HydrophobicContact CE2-CD1 4.06Å; Y188-F251 AromaticContact CE2-CD2 3.85Å; Y188-F251 HydrophobicContact CE2-CD2 3.85Å; Y188-F251 HydrophobicContact CE2-CE2 4.46Å; Y188-F251 AromaticContact CE2-CG 3.61Å; Y188-F251 HydrophobicContact CE2-CG 3.61Å; Y188-F251 HydrophobicContact CG-CD1 4.16Å; Y188-F251 AromaticContact CG-CD2 3.92Å; Y188-F251 HydrophobicContact CG-CD2 3.92Å; Y188-F251 AromaticContact CG-CE1 3.95Å; Y188-F251 HydrophobicContact CG-CE1 3.95Å; Y188-F251 AromaticContact CG-CE2 3.67Å; Y188-F251 HydrophobicContact CG-CE2 3.67Å; Y188-F251 HydrophobicContact CG-CG 4.15Å; Y188-F251 AromaticContact CG-CZ 3.69Å; Y188-F251 HydrophobicContact CG-CZ 3.69Å; Y188-F251 AromaticContact CZ-CD1 3.57Å; Y188-F251 AromaticContact CZ-CG 3.57Å; F191-F251 HydrophobicContact CB-CZ 4.33Å; F191-F251 HydrophobicContact CD1-CE1 4.14Å; F191-F251 AromaticContact CD1-CZ 3.7Å; F191-F251 HydrophobicContact CD1-CZ 3.7Å; F191-F251 HydrophobicContact CE1-CZ 4.38Å; F191-F251 HydrophobicContact CG-CE1 4.48Å; F191-F251 HydrophobicContact CG-CZ 4.23Å; W247-F251 AromaticContact CE3-CD2 3.9Å; W247-F251 HydrophobicContact CE3-CD2 3.9Å; W247-F251 AromaticContact CE3-CE2 3.76Å; W247-F251 HydrophobicContact CE3-CE2 3.76Å; W247-F251 AromaticContact CZ3-CD2 3.88Å; W247-F251 HydrophobicContact CZ3-CD2 3.88Å; W247-F251 AromaticContact CZ3-CE2 3.91Å; W247-F251 HydrophobicContact CZ3-CE2 3.91Å; Y248-F251 PolarHBondContact O-N 2.95Å; L249-F251 PolarHBondContact O-N 2.95Å; F251-A253 VanDerWaalsContact C-N 3.28Å; F251-A253 PolarHBondContact O-N 2.86Å |
| 252 | G | 88.2 | Confident | 91.6 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 66% | 0.66 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 7.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L249 | L249-G252 PolarHBondContact O-N 3.24Å; L249-G252 VanDerWaalsContact O-N 3.15Å |
| 253 | A | 92.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.017 | 33% | 0.329 | C | S | . | . | trans | -86.9 | 139.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T224 C227 Y248 F251 I258 | T224-A253 HydrophobicContact CG2-CB 4Å; C227-A253 HydrophobicContact CB-CB 3.94Å; Y248-A253 WeakPolarHBondContact CD2-O 3.43Å; Y248-A253 PolarHBondContact O-N 3.42Å; F251-A253 VanDerWaalsContact C-N 3.28Å; F251-A253 PolarHBondContact O-N 2.86Å; A253-I258 HydrophobicContact CB-CD1 3.93Å; A253-I258 HydrophobicContact CB-CG1 4.34Å | ||
| 254 | T | 93.9 | Very high | 92.3 | Very high | 56 Ų | 56 | 60.8 Ų | 60.8 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | trans | -88.8 | 161.4 | 174.3 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | E256 E257 I258 | T254-E256 VanDerWaalsContact C-N 3.29Å; T254-E257 WeakPolarHBondContact CB-OE2 3.35Å; T254-E257 PolarHBondContact N-OE2 3.36Å; T254-E257 WeakPolarHBondContact OG1-CB 2.88Å; T254-E257 VanDerWaalsContact OG1-CD 3.28Å; T254-E257 WeakPolarHBondContact OG1-CG 3.34Å; T254-E257 PolarHBondContact OG1-N 3.23Å; T254-E257 PolarHBondContact OG1-OE2 3.29Å; T254-I258 WeakPolarHBondContact O-CB 3.34Å; T254-I258 WeakPolarHBondContact O-CD1 3.42Å; T254-I258 VanDerWaalsContact O-CG1 3.29Å; T254-I258 WeakPolarHBondContact O-CG1 3.45Å; T254-I258 PolarHBondContact O-N 2.92Å | ||
| 255 | E | 92.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.2 | -31.1 | 176.2 | -156.7 | -171.4 | -175.5 | 0 | 0 | 111.1 | Y248 I258 K259 | Y248-E255 HydrophobicContact CE2-CB 4.13Å; Y248-E255 HydrophobicContact CE2-CG 4.49Å; Y248-E255 WeakPolarHBondContact OH-CB 3.45Å; Y248-E255 VanDerWaalsContact OH-CG 3.22Å; Y248-E255 WeakPolarHBondContact OH-CG 3.26Å; E255-I258 PolarHBondContact O-N 2.73Å; E255-K259 HydrophobicContact CG-CD 4.16Å; E255-K259 HydrophobicContact CG-CG 4.45Å; E255-K259 VanDerWaalsContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CB 3.42Å; E255-K259 WeakPolarHBondContact O-CD 3.09Å; E255-K259 WeakPolarHBondContact O-CG 3.3Å; E255-K259 PolarHBondContact O-N 2.88Å; E255-K259 WeakPolarHBondContact OE1-CE 3Å; E255-K259 IonicContact OE1-NZ 2.89Å; E255-K259 PolarHBondContact OE1-NZ 3.31Å; E255-K259 WeakPolarHBondContact OE2-CE 3.29Å; E255-K259 IonicContact OE2-NZ 2.86Å; E255-K259 PolarHBondContact OE2-NZ 2.69Å |
| 256 | E | 94.6 | Very high | 93.2 | Very high | 125 Ų | 125 | 48.7 Ų | 48.7 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.7 | -53.3 | 179 | -68.3 | 59.6 | -134.9 | 0 | 0 | 111 | T254 I258 K259 E260 | T254-E256 VanDerWaalsContact C-N 3.29Å; E256-I258 VanDerWaalsContact C-N 3.35Å; E256-I258 PolarHBondContact O-N 3.09Å; E256-K259 PolarHBondContact O-N 2.77Å; E256-E260 PolarHBondContact O-N 2.91Å |
| 257 | E | 94.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.6 | -66.7 | 165.7 | 110.9 | 0 | 0 | 111.3 | F220 T224 T254 K259 E260 I261 | F220-E257 HydrophobicContact CD1-CB 4.11Å; F220-E257 HydrophobicContact CD1-CG 3.98Å; F220-E257 HydrophobicContact CE1-CB 4.06Å; F220-E257 HydrophobicContact CE1-CG 3.93Å; T224-E257 HydrophobicContact CG2-CB 3.55Å; T224-E257 HydrophobicContact CG2-CG 4.19Å; T254-E257 WeakPolarHBondContact CB-OE2 3.35Å; T254-E257 PolarHBondContact N-OE2 3.36Å; T254-E257 WeakPolarHBondContact OG1-CB 2.88Å; T254-E257 VanDerWaalsContact OG1-CD 3.28Å; T254-E257 WeakPolarHBondContact OG1-CG 3.34Å; T254-E257 PolarHBondContact OG1-N 3.23Å; T254-E257 PolarHBondContact OG1-OE2 3.29Å; E257-K259 PolarHBondContact O-N 2.69Å; E257-E260 PolarHBondContact O-N 3.49Å; E257-I261 WeakPolarHBondContact O-CB 3.43Å; E257-I261 WeakPolarHBondContact O-CD1 3.36Å; E257-I261 VanDerWaalsContact O-CG1 3.25Å; E257-I261 WeakPolarHBondContact O-CG1 3.5Å; E257-I261 PolarHBondContact O-N 3.08Å |
| 258 | I | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -47 | 178.6 | -76 | 171.1 | 0 | 0 | 0 | 110.7 | C227 A228 Y231 Y248 A253 T254 E255 E256 I261 C262 | C227-I258 HydrophobicContact CB-CD1 3.92Å; C227-I258 HydrophobicContact CB-CG1 4.32Å; A228-I258 HydrophobicContact CB-CB 4.46Å; A228-I258 HydrophobicContact CB-CG1 4.24Å; A228-I258 HydrophobicContact CB-CG2 4.43Å; Y231-I258 HydrophobicContact CD1-CG2 3.72Å; Y231-I258 HydrophobicContact CD2-CG2 4.15Å; Y231-I258 HydrophobicContact CE1-CG2 4.18Å; Y231-I258 HydrophobicContact CG-CG2 3.7Å; Y248-I258 HydrophobicContact CD1-CD1 3.84Å; Y248-I258 HydrophobicContact CD2-CD1 3.68Å; Y248-I258 HydrophobicContact CE1-CD1 4.48Å; Y248-I258 HydrophobicContact CE2-CD1 4.35Å; Y248-I258 HydrophobicContact CG-CD1 3.4Å; A253-I258 HydrophobicContact CB-CD1 3.93Å; A253-I258 HydrophobicContact CB-CG1 4.34Å; T254-I258 WeakPolarHBondContact O-CB 3.34Å; T254-I258 WeakPolarHBondContact O-CD1 3.42Å; T254-I258 VanDerWaalsContact O-CG1 3.29Å; T254-I258 WeakPolarHBondContact O-CG1 3.45Å; T254-I258 PolarHBondContact O-N 2.92Å; E255-I258 PolarHBondContact O-N 2.73Å; E256-I258 VanDerWaalsContact C-N 3.35Å; E256-I258 PolarHBondContact O-N 3.09Å; I258-I261 PolarHBondContact O-N 3.05Å; I258-C262 VanDerWaalsContact O-CB 3.3Å; I258-C262 WeakPolarHBondContact O-CB 3.39Å; I258-C262 PolarHBondContact O-N 3.22Å; I258-C262 PolarHBondContact O-SG 2.6Å |
| 259 | K | 95.4 | Very high | 93.3 | Very high | 82 Ų | 82 | 57 Ų | 57 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 174.5 | -77 | 164.2 | -178 | 157.8 | 0 | 110.9 | E255 E256 E257 C262 I263 | E255-K259 HydrophobicContact CG-CD 4.16Å; E255-K259 HydrophobicContact CG-CG 4.45Å; E255-K259 VanDerWaalsContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CB 3.42Å; E255-K259 WeakPolarHBondContact O-CD 3.09Å; E255-K259 WeakPolarHBondContact O-CG 3.3Å; E255-K259 PolarHBondContact O-N 2.88Å; E255-K259 WeakPolarHBondContact OE1-CE 3Å; E255-K259 IonicContact OE1-NZ 2.89Å; E255-K259 PolarHBondContact OE1-NZ 3.31Å; E255-K259 WeakPolarHBondContact OE2-CE 3.29Å; E255-K259 IonicContact OE2-NZ 2.86Å; E255-K259 PolarHBondContact OE2-NZ 2.69Å; E256-K259 PolarHBondContact O-N 2.77Å; E257-K259 PolarHBondContact O-N 2.69Å; K259-C262 PolarHBondContact O-N 3.46Å; K259-I263 WeakPolarHBondContact O-CB 3.42Å; K259-I263 WeakPolarHBondContact O-CD1 3.27Å; K259-I263 WeakPolarHBondContact O-CG1 3.23Å; K259-I263 PolarHBondContact O-N 2.8Å |
| 260 | E | 95.5 | Very high | 93.2 | Very high | 76 Ų | 76 | 58 Ų | 58 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -43.5 | -179.8 | -171.3 | 172.7 | -163.5 | 0 | 0 | 112.7 | R219 F220 E256 E257 C262 I263 T264 | R219-E260 IonicContact CZ-OE1 2.72Å; R219-E260 IonicContact CZ-OE2 2.61Å; R219-E260 IonicContact NH1-OE1 3.88Å; R219-E260 PolarHBondContact NH1-OE1 3.1Å; R219-E260 IonicContact NH1-OE2 3.66Å; R219-E260 PolarHBondContact NH1-OE2 3.31Å; R219-E260 IonicContact NH2-OE1 3.32Å; R219-E260 PolarHBondContact NH2-OE1 3.4Å; R219-E260 IonicContact NH2-OE2 2.67Å; R219-E260 PolarHBondContact NH2-OE2 3.33Å; F220-E260 HydrophobicContact CZ-CB 4.4Å; F220-E260 HydrophobicContact CZ-CG 4.37Å; E256-E260 PolarHBondContact O-N 2.91Å; E257-E260 PolarHBondContact O-N 3.49Å; E260-C262 VanDerWaalsContact C-N 3.33Å; E260-C262 PolarHBondContact O-N 3.02Å; E260-I263 PolarHBondContact O-N 3.34Å; E260-T264 WeakPolarHBondContact O-CB 3.32Å; E260-T264 PolarHBondContact O-N 2.74Å; E260-T264 PolarHBondContact O-OG1 3.45Å |
| 261 | I | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.5 | -65.6 | 162 | 0 | 0 | 0 | 110.3 | V216 F220 T224 I225 A228 E257 I258 T264 T265 | V216-I261 HydrophobicContact CB-CG1 4.41Å; V216-I261 HydrophobicContact CB-CG2 4.39Å; V216-I261 HydrophobicContact CG1-CB 4.39Å; V216-I261 HydrophobicContact CG1-CG1 4.2Å; V216-I261 HydrophobicContact CG1-CG2 4.12Å; F220-I261 HydrophobicContact CB-CD1 3.89Å; F220-I261 HydrophobicContact CD1-CD1 4.08Å; F220-I261 HydrophobicContact CD1-CG1 4.34Å; F220-I261 HydrophobicContact CD2-CD1 3.77Å; F220-I261 HydrophobicContact CD2-CG1 3.43Å; F220-I261 VanDerWaalsContact CD2-CG1 3.43Å; F220-I261 HydrophobicContact CE1-CG1 4.45Å; F220-I261 HydrophobicContact CE2-CD1 4.31Å; F220-I261 HydrophobicContact CE2-CG1 3.57Å; F220-I261 HydrophobicContact CG-CD1 3.64Å; F220-I261 HydrophobicContact CG-CG1 3.85Å; F220-I261 HydrophobicContact CZ-CG1 4.09Å; T224-I261 HydrophobicContact CG2-CD1 3.84Å; I225-I261 HydrophobicContact CG1-CD1 4.18Å; A228-I261 HydrophobicContact CB-CB 3.59Å; A228-I261 HydrophobicContact CB-CD1 3.97Å; A228-I261 HydrophobicContact CB-CG1 4.4Å; A228-I261 HydrophobicContact CB-CG2 3.4Å; E257-I261 WeakPolarHBondContact O-CB 3.43Å; E257-I261 WeakPolarHBondContact O-CD1 3.36Å; E257-I261 VanDerWaalsContact O-CG1 3.25Å; E257-I261 WeakPolarHBondContact O-CG1 3.5Å; E257-I261 PolarHBondContact O-N 3.08Å; I258-I261 PolarHBondContact O-N 3.05Å; I261-T264 PolarHBondContact O-N 2.98Å; I261-T265 WeakPolarHBondContact O-CB 3.42Å; I261-T265 PolarHBondContact O-N 2.81Å; I261-T265 PolarHBondContact O-OG1 3.07Å |
| 262 | C | 96.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 175.2 | -70.7 | 0 | 0 | 0 | 0 | 111.7 | A228 L232 I258 K259 E260 T264 T265 L266 | A228-C262 PolarHBondContact O-SG 3.5Å; L232-C262 HydrophobicContact CD1-CB 4.4Å; I258-C262 VanDerWaalsContact O-CB 3.3Å; I258-C262 WeakPolarHBondContact O-CB 3.39Å; I258-C262 PolarHBondContact O-N 3.22Å; I258-C262 PolarHBondContact O-SG 2.6Å; K259-C262 PolarHBondContact O-N 3.46Å; E260-C262 VanDerWaalsContact C-N 3.33Å; E260-C262 PolarHBondContact O-N 3.02Å; C262-T264 VanDerWaalsContact C-N 3.33Å; C262-T264 PolarHBondContact O-N 3.16Å; C262-T265 PolarHBondContact O-N 3.08Å; C262-L266 WeakPolarHBondContact O-CB 3.38Å; C262-L266 VanDerWaalsContact O-CG 3.29Å; C262-L266 WeakPolarHBondContact O-CG 3.46Å; C262-L266 PolarHBondContact O-N 3.46Å |
| 263 | I | 95.6 | Very high | 92.8 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 44% | 0.441 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 178 | -71.6 | 165.2 | 0 | 0 | 0 | 110.8 | K259 E260 L266 K267 | K259-I263 WeakPolarHBondContact O-CB 3.42Å; K259-I263 WeakPolarHBondContact O-CD1 3.27Å; K259-I263 WeakPolarHBondContact O-CG1 3.23Å; K259-I263 PolarHBondContact O-N 2.8Å; E260-I263 PolarHBondContact O-N 3.34Å; I263-L266 PolarHBondContact O-N 3.07Å; I263-K267 HydrophobicContact CG2-CD 4.02Å; I263-K267 VanDerWaalsContact CG2-CE 3.48Å; I263-K267 HydrophobicContact CG2-CG 4.45Å; I263-K267 WeakPolarHBondContact O-CB 3.42Å; I263-K267 WeakPolarHBondContact O-CG 3.43Å; I263-K267 PolarHBondContact O-N 3.18Å |
| 264 | T | 94.7 | Very high | 92.4 | Very high | 20 Ų | 20 | 70.8 Ų | 70.8 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 179.2 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | T214 V216 E260 I261 C262 | T214-T264 HydrophobicContact CG2-CG2 4.37Å; V216-T264 HydrophobicContact CG1-CG2 3.78Å; E260-T264 WeakPolarHBondContact O-CB 3.32Å; E260-T264 PolarHBondContact O-N 2.74Å; E260-T264 PolarHBondContact O-OG1 3.45Å; I261-T264 PolarHBondContact O-N 2.98Å; C262-T264 VanDerWaalsContact C-N 3.33Å; C262-T264 PolarHBondContact O-N 3.16Å |
| 265 | T | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.1 | -45.3 | 173.8 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | Y207 S211 L232 I261 C262 K267 L268 | Y207-T265 HydrophobicContact CD1-CG2 4.42Å; S211-T265 WeakPolarHBondContact CB-OG1 3.2Å; L232-T265 HydrophobicContact CD2-CG2 4.3Å; I261-T265 WeakPolarHBondContact O-CB 3.42Å; I261-T265 PolarHBondContact O-N 2.81Å; I261-T265 PolarHBondContact O-OG1 3.07Å; C262-T265 PolarHBondContact O-N 3.08Å; T265-K267 VanDerWaalsContact C-N 3.33Å; T265-K267 PolarHBondContact O-N 3.45Å; T265-L268 WeakPolarHBondContact O-CB 3.44Å; T265-L268 PolarHBondContact O-N 3.2Å |
| 266 | L | 94.4 | Very high | 91.5 | Very high | 75 Ų | 75 | 70.3 Ų | 70.3 | 39% | 0.393 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65 | -33.8 | 178.7 | -73.6 | 173.5 | 0 | 0 | 0 | 113.1 | L232 C262 I263 L268 Y269 | L232-L266 HydrophobicContact CD1-CD1 3.96Å; L232-L266 HydrophobicContact CD1-CD2 4.2Å; L232-L266 HydrophobicContact CD1-CG 4.11Å; L232-L266 HydrophobicContact CD2-CD2 4.45Å; L232-L266 HydrophobicContact CD2-CG 4.36Å; C262-L266 WeakPolarHBondContact O-CB 3.38Å; C262-L266 VanDerWaalsContact O-CG 3.29Å; C262-L266 WeakPolarHBondContact O-CG 3.46Å; C262-L266 PolarHBondContact O-N 3.46Å; I263-L266 PolarHBondContact O-N 3.07Å; L266-L268 PolarHBondContact O-N 3.31Å; L266-L268 VanDerWaalsContact O-N 3.15Å; L266-Y269 HydrophobicContact CD2-CD2 4.14Å; L266-Y269 HydrophobicContact CD2-CE2 4.29Å; L266-Y269 PolarHBondContact O-N 2.98Å; L266-Y269 VanDerWaalsContact O-N 3.12Å |
| 267 | K | 93 | Very high | 91.1 | Very high | 124 Ų | 124 | 69.5 Ų | 69.5 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.6 | -19.6 | 171.3 | -81.1 | 167.3 | 179.5 | 170.8 | 0 | 113.2 | I263 T265 T270 R271 | I263-K267 HydrophobicContact CG2-CD 4.02Å; I263-K267 VanDerWaalsContact CG2-CE 3.48Å; I263-K267 HydrophobicContact CG2-CG 4.45Å; I263-K267 WeakPolarHBondContact O-CB 3.42Å; I263-K267 WeakPolarHBondContact O-CG 3.43Å; I263-K267 PolarHBondContact O-N 3.18Å; T265-K267 VanDerWaalsContact C-N 3.33Å; T265-K267 PolarHBondContact O-N 3.45Å; K267-T270 PolarHBondContact O-OG1 2.89Å; K267-R271 WeakPolarHBondContact O-CG 3.37Å |
| 268 | L | 91.8 | Very high | 90.8 | Very high | 21 Ų | 21 | 73.1 Ų | 73.1 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 174.1 | -170.7 | 67.9 | 0 | 0 | 0 | 111.4 | I64 D210 R213 T265 L266 T270 R271 | I64-L268 HydrophobicContact CD1-CD1 3.79Å; I64-L268 HydrophobicContact CG1-CD1 3.96Å; I64-L268 HydrophobicContact CG2-CD1 4.22Å; D210-L268 HydrophobicContact CB-CD2 4.09Å; D210-L268 WeakPolarHBondContact O-CD2 3.28Å; R213-L268 HydrophobicContact CB-CD1 4.15Å; R213-L268 HydrophobicContact CB-CD2 4.21Å; T265-L268 WeakPolarHBondContact O-CB 3.44Å; T265-L268 PolarHBondContact O-N 3.2Å; L266-L268 PolarHBondContact O-N 3.31Å; L266-L268 VanDerWaalsContact O-N 3.15Å; L268-T270 VanDerWaalsContact C-N 3.3Å; L268-T270 PolarHBondContact O-N 3.31Å; L268-R271 PolarHBondContact O-N 3.05Å |
| 269 | Y | 90.3 | Very high | 90.5 | Very high | 108 Ų | 108 | 73.8 Ų | 73.8 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75 | -16.6 | -175.5 | -51.4 | -62.5 | 0 | 0 | 0 | 113.7 | Y207 D210 L266 | Y207-Y269 HydrophobicContact CD1-CE2 4.22Å; Y207-Y269 VanDerWaalsContact CD1-OH 3.32Å; Y207-Y269 WeakPolarHBondContact CD1-OH 3.31Å; Y207-Y269 AromaticContact CE1-CE2 3.94Å; Y207-Y269 HydrophobicContact CE1-CE2 3.94Å; D210-Y269 WeakPolarHBondContact CB-OH 3.48Å; D210-Y269 VanDerWaalsContact OD2-CE1 3.31Å; D210-Y269 WeakPolarHBondContact OD2-CE1 3.22Å; D210-Y269 PolarHBondContact OD2-OH 3.26Å; L266-Y269 HydrophobicContact CD2-CD2 4.14Å; L266-Y269 HydrophobicContact CD2-CE2 4.29Å; L266-Y269 PolarHBondContact O-N 2.98Å; L266-Y269 VanDerWaalsContact O-N 3.12Å |
| 270 | T | 90.2 | Very high | 90.2 | Very high | 116 Ų | 116 | 73.2 Ų | 73.2 | 71% | 0.712 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -8.5 | 176.9 | 62 | 0 | 0 | 0 | 0 | 113.6 | K267 L268 | K267-T270 PolarHBondContact O-OG1 2.89Å; L268-T270 VanDerWaalsContact C-N 3.3Å; L268-T270 PolarHBondContact O-N 3.31Å |
| 271 | R | 88.6 | Confident | 89.9 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -76.2 | 140 | 175.9 | -68.9 | -175.9 | 85.1 | 81.4 | 3.2 | 111.2 | N57 D61 K267 L268 | N57-R271 PolarHBondContact O-NH2 3.42Å; N57-R271 PolarHBondContact OD1-NH1 2.92Å; N57-R271 PolarHBondContact OD1-NH2 2.95Å; D61-R271 IonicContact OD1-CZ 2.79Å; D61-R271 VanDerWaalsContact OD1-CZ 3.24Å; D61-R271 IonicContact OD1-NE 3.49Å; D61-R271 PolarHBondContact OD1-NE 3.16Å; D61-R271 IonicContact OD1-NH2 3.56Å; D61-R271 PolarHBondContact OD1-NH2 3.28Å; D61-R271 IonicContact OD2-CZ 3.37Å; D61-R271 IonicContact OD2-NH2 3.18Å; D61-R271 PolarHBondContact OD2-NH2 2.61Å; K267-R271 WeakPolarHBondContact O-CG 3.37Å; L268-R271 PolarHBondContact O-N 3.05Å |
| 272 | K | 86.3 | Confident | 89.6 | Confident | 195 Ų | 195 | 77.6 Ų | 77.6 | 85% | 0.848 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 143.4 | 167.2 | -65 | 179.4 | -179.2 | 177.6 | 0 | 108.9 | ||
| 273 | K | 82.1 | Confident | 89.4 | Confident | 177 Ų | 177 | 78 Ų | 78 | 77% | 0.77 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 124.8 | 179.7 | -174.2 | 168.8 | -172.9 | 163.2 | 0 | 110.6 | ||
| 274 | P | 83.1 | Confident | 89.2 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 138.7 | -174.4 | 24.1 | -33.6 | 0 | 0 | 0 | 112.9 | D61 Y276 L279 | D61-P274 HydrophobicContact CB-CB 3.9Å; P274-Y276 PolarHBondContact O-N 2.67Å; P274-L279 HydrophobicContact CB-CD1 3.84Å |
| 275 | N | 85.3 | Confident | 89.1 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | trans | -88.4 | 106.4 | 175.7 | -176.4 | -9.3 | 0 | 0 | 0 | 110.5 | E277 Q278 L279 | N275-E277 VanDerWaalsContact C-N 3.27Å; N275-E277 PolarHBondContact O-N 2.96Å; N275-E277 PolarHBondContact OD1-N 3.21Å; N275-Q278 HydrophobicContact CB-CB 4.25Å; N275-Q278 HydrophobicContact CB-CG 4.3Å; N275-Q278 VanDerWaalsContact CB-OE1 3.24Å; N275-Q278 PolarHBondContact ND2-OE1 2.66Å; N275-Q278 VanDerWaalsContact ND2-OE1 3.08Å; N275-Q278 PolarHBondContact O-N 3.45Å; N275-Q278 VanDerWaalsContact O-N 3.13Å; N275-L279 PolarHBondContact O-N 2.83Å | ||
| 276 | Y | 84.3 | Confident | 89 | Confident | 26 Ų | 26 | 86 Ų | 86 | 10% | 0.102 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -46.8 | -47.3 | 179.8 | -178.8 | -79.7 | 0 | 0 | 0 | 113.2 | L65 F105 E106 R140 P274 Q278 L279 E280 | L65-Y276 HydrophobicContact CD1-CD2 4.31Å; L65-Y276 HydrophobicContact CD2-CD2 3.76Å; L65-Y276 HydrophobicContact CD2-CE2 4.32Å; L65-Y276 HydrophobicContact CG-CD2 4.47Å; F105-Y276 HydrophobicContact CE1-CE2 4.35Å; F105-Y276 AromaticContact CE2-CE2 3.95Å; F105-Y276 HydrophobicContact CE2-CE2 3.95Å; F105-Y276 HydrophobicContact CZ-CD2 4.14Å; F105-Y276 AromaticContact CZ-CE2 3.36Å; F105-Y276 HydrophobicContact CZ-CE2 3.36Å; F105-Y276 AromaticContact CZ-CZ 3.88Å; E106-Y276 VanDerWaalsContact CD-OH 3.27Å; E106-Y276 HydrophobicContact CG-CE2 4.43Å; E106-Y276 WeakPolarHBondContact OE1-CE2 3.28Å; E106-Y276 PolarHBondContact OE1-OH 2.9Å; R140-Y276 VanDerWaalsContact CZ-CD2 3.45Å; R140-Y276 VanDerWaalsContact CZ-CE2 3.44Å; R140-Y276 VanDerWaalsContact NH2-CE1 3.25Å; P274-Y276 PolarHBondContact O-N 2.67Å; Y276-Q278 VanDerWaalsContact C-N 3.33Å; Y276-Q278 PolarHBondContact O-N 3Å; Y276-L279 PolarHBondContact O-N 3.5Å; Y276-E280 HydrophobicContact CD1-CB 4.43Å; Y276-E280 HydrophobicContact CE1-CB 3.88Å; Y276-E280 VanDerWaalsContact CE1-CD 3.43Å; Y276-E280 HydrophobicContact CE1-CG 4.21Å; Y276-E280 WeakPolarHBondContact CE1-OE1 3.15Å; Y276-E280 WeakPolarHBondContact O-CB 3.47Å; Y276-E280 PolarHBondContact O-N 3.35Å; Y276-E280 PolarHBondContact OH-OE1 3.44Å |
| 277 | E | 85.7 | Confident | 88.9 | Confident | 108 Ų | 108 | 86.7 Ų | 86.7 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.9 | -30.6 | -173.8 | -69 | -167.5 | -163.2 | 0 | 0 | 113.2 | N275 K281 | N275-E277 VanDerWaalsContact C-N 3.27Å; N275-E277 PolarHBondContact O-N 2.96Å; N275-E277 PolarHBondContact OD1-N 3.21Å; E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 VanDerWaalsContact O-CD 3.23Å; E277-K281 WeakPolarHBondContact O-CD 3.34Å; E277-K281 WeakPolarHBondContact O-CG 3.4Å; E277-K281 PolarHBondContact O-N 3.2Å; E277-K281 VanDerWaalsContact O-N 3.11Å; E277-K281 IonicContact OE2-NZ 3.87Å; E277-K281 PolarHBondContact OE2-NZ 3.19Å |
| 278 | Q | 88.6 | Confident | 88.8 | Confident | 130 Ų | 130 | 84.7 Ų | 84.7 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -73 | -42 | 177.4 | -72.3 | 173.1 | -35 | 0 | 0 | 110.1 | N275 Y276 K281 E282 | N275-Q278 HydrophobicContact CB-CB 4.25Å; N275-Q278 HydrophobicContact CB-CG 4.3Å; N275-Q278 VanDerWaalsContact CB-OE1 3.24Å; N275-Q278 PolarHBondContact ND2-OE1 2.66Å; N275-Q278 VanDerWaalsContact ND2-OE1 3.08Å; N275-Q278 PolarHBondContact O-N 3.45Å; N275-Q278 VanDerWaalsContact O-N 3.13Å; Y276-Q278 VanDerWaalsContact C-N 3.33Å; Y276-Q278 PolarHBondContact O-N 3Å; Q278-K281 PolarHBondContact O-N 3.19Å; Q278-E282 WeakPolarHBondContact O-CB 3.45Å; Q278-E282 PolarHBondContact O-N 3.41Å |
| 279 | L | 88.7 | Confident | 88.8 | Confident | 14 Ų | 14 | 90.3 Ų | 90.3 | 7% | 0.073 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 175 | -62 | 173.9 | 0 | 0 | 0 | 112.2 | T58 D61 L62 L65 P274 N275 Y276 E282 V283 | T58-L279 HydrophobicContact CG2-CD2 3.82Å; D61-L279 HydrophobicContact CB-CD1 4Å; D61-L279 HydrophobicContact CB-CD2 4.15Å; L62-L279 HydrophobicContact CD2-CB 4Å; L62-L279 HydrophobicContact CD2-CD1 4.42Å; L62-L279 HydrophobicContact CG-CB 4.44Å; L62-L279 HydrophobicContact CG-CD1 4.49Å; L65-L279 HydrophobicContact CD2-CD1 3.9Å; P274-L279 HydrophobicContact CB-CD1 3.84Å; N275-L279 PolarHBondContact O-N 2.83Å; Y276-L279 PolarHBondContact O-N 3.5Å; L279-E282 PolarHBondContact O-N 2.91Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 3.09Å |
| 280 | E | 88.1 | Confident | 88.8 | Confident | 71 Ų | 71 | 86.4 Ų | 86.4 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 177.5 | -172 | 174.6 | -109.6 | 0 | 0 | 111.5 | R137 Y276 E282 E284 | R137-E280 IonicContact NH2-OE1 2.7Å; Y276-E280 HydrophobicContact CD1-CB 4.43Å; Y276-E280 HydrophobicContact CE1-CB 3.88Å; Y276-E280 VanDerWaalsContact CE1-CD 3.43Å; Y276-E280 HydrophobicContact CE1-CG 4.21Å; Y276-E280 WeakPolarHBondContact CE1-OE1 3.15Å; Y276-E280 WeakPolarHBondContact O-CB 3.47Å; Y276-E280 PolarHBondContact O-N 3.35Å; Y276-E280 PolarHBondContact OH-OE1 3.44Å; E280-E282 PolarHBondContact O-N 3.37Å; E280-E284 WeakPolarHBondContact O-CB 3.34Å; E280-E284 PolarHBondContact O-N 2.96Å |
| 281 | K | 90.2 | Very high | 88.8 | Confident | 127 Ų | 127 | 83.2 Ų | 83.2 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 175 | -73.3 | 164.1 | -165.6 | 160.5 | 0 | 112.1 | E277 Q278 E284 R285 | E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 VanDerWaalsContact O-CD 3.23Å; E277-K281 WeakPolarHBondContact O-CD 3.34Å; E277-K281 WeakPolarHBondContact O-CG 3.4Å; E277-K281 PolarHBondContact O-N 3.2Å; E277-K281 VanDerWaalsContact O-N 3.11Å; E277-K281 IonicContact OE2-NZ 3.87Å; E277-K281 PolarHBondContact OE2-NZ 3.19Å; Q278-K281 PolarHBondContact O-N 3.19Å; K281-E284 PolarHBondContact O-N 3.13Å; K281-R285 WeakPolarHBondContact O-CB 3.37Å; K281-R285 PolarHBondContact O-N 3.16Å |
| 282 | E | 90.6 | Very high | 88.9 | Confident | 41 Ų | 41 | 84.3 Ų | 84.3 | 19% | 0.192 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.2 | -41 | -179.3 | -178.6 | 49.3 | -144.6 | 0 | 0 | 112.8 | T58 Q278 L279 E280 E284 R285 R286 | T58-E282 HydrophobicContact CG2-CG 4.25Å; Q278-E282 WeakPolarHBondContact O-CB 3.45Å; Q278-E282 PolarHBondContact O-N 3.41Å; L279-E282 PolarHBondContact O-N 2.91Å; E280-E282 PolarHBondContact O-N 3.37Å; E282-E284 VanDerWaalsContact C-N 3.35Å; E282-R285 PolarHBondContact O-N 2.91Å; E282-R285 IonicContact OE1-CZ 3.41Å; E282-R285 IonicContact OE1-NE 3Å; E282-R285 PolarHBondContact OE1-NE 3.13Å; E282-R285 IonicContact OE1-NH2 2.58Å; E282-R285 PolarHBondContact OE1-NH2 3.35Å; E282-R285 IonicContact OE2-CZ 2.77Å; E282-R285 IonicContact OE2-NE 3.45Å; E282-R285 PolarHBondContact OE2-NE 3.27Å; E282-R285 IonicContact OE2-NH2 2.7Å; E282-R285 PolarHBondContact OE2-NH2 3.38Å; E282-R286 WeakPolarHBondContact O-CB 3.23Å; E282-R286 WeakPolarHBondContact O-CG 3.42Å; E282-R286 PolarHBondContact O-N 2.88Å; E282-R286 VanDerWaalsContact OE1-CG 3.3Å; E282-R286 WeakPolarHBondContact OE1-CG 3.19Å; E282-R286 IonicContact OE1-CZ 2.74Å; E282-R286 IonicContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH1 3.41Å; E282-R286 PolarHBondContact OE1-NH1 3.07Å |
| 283 | V | 91.4 | Very high | 89 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 172 | 171.1 | 0 | 0 | 0 | 0 | 111 | L54 L62 L279 R286 K287 | L54-V283 HydrophobicContact CD1-CG2 4.44Å; L62-V283 HydrophobicContact CD1-CG2 3.49Å; L62-V283 VanDerWaalsContact CD1-CG2 3.49Å; L62-V283 HydrophobicContact CD2-CG2 4.24Å; L62-V283 HydrophobicContact CG-CG2 4.49Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 3.09Å; V283-R286 PolarHBondContact O-N 2.95Å; V283-K287 VanDerWaalsContact O-CB 3.22Å; V283-K287 WeakPolarHBondContact O-CB 3.43Å; V283-K287 PolarHBondContact O-N 3.05Å |
| 284 | E | 91.5 | Very high | 89.4 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | 178.9 | -167.2 | 57.4 | -136.3 | 0 | 0 | 111.9 | E280 K281 E282 R286 K287 V288 | E280-E284 WeakPolarHBondContact O-CB 3.34Å; E280-E284 PolarHBondContact O-N 2.96Å; K281-E284 PolarHBondContact O-N 3.13Å; E282-E284 VanDerWaalsContact C-N 3.35Å; E284-R286 PolarHBondContact O-N 2.96Å; E284-K287 CarbonylContact O-C 3.48Å; E284-K287 WeakPolarHBondContact O-CB 3.25Å; E284-K287 PolarHBondContact O-N 3.3Å; E284-K287 VanDerWaalsContact O-N 3.14Å; E284-K287 IonicContact OE1-NZ 2.72Å; E284-K287 PolarHBondContact OE1-NZ 3.07Å; E284-K287 IonicContact OE2-NZ 3.11Å; E284-K287 PolarHBondContact OE2-NZ 2.62Å; E284-V288 WeakPolarHBondContact O-CG2 3.37Å; E284-V288 PolarHBondContact O-N 3.41Å |
| 285 | R | 92.1 | Very high | 89.6 | Confident | 138 Ų | 138 | 76 Ų | 76 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.2 | -48.3 | 173 | -172.6 | -174 | 74 | 91.6 | -2.7 | 111.7 | K281 E282 K287 V288 F289 | K281-R285 WeakPolarHBondContact O-CB 3.37Å; K281-R285 PolarHBondContact O-N 3.16Å; E282-R285 PolarHBondContact O-N 2.91Å; E282-R285 IonicContact OE1-CZ 3.41Å; E282-R285 IonicContact OE1-NE 3Å; E282-R285 PolarHBondContact OE1-NE 3.13Å; E282-R285 IonicContact OE1-NH2 2.58Å; E282-R285 PolarHBondContact OE1-NH2 3.35Å; E282-R285 IonicContact OE2-CZ 2.77Å; E282-R285 IonicContact OE2-NE 3.45Å; E282-R285 PolarHBondContact OE2-NE 3.27Å; E282-R285 IonicContact OE2-NH2 2.7Å; E282-R285 PolarHBondContact OE2-NH2 3.38Å; R285-K287 VanDerWaalsContact C-N 3.31Å; R285-K287 PolarHBondContact O-N 2.96Å; R285-V288 PolarHBondContact O-N 2.86Å; R285-F289 PolarHBondContact O-N 3.14Å; R285-F289 VanDerWaalsContact O-N 3.07Å |
| 286 | R | 92 | Very high | 89.8 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 176.1 | -72.7 | -88.4 | 164.6 | 66.7 | -25.4 | 111.7 | G53 L54 V101 E282 V283 E284 L290 | G53-R286 PolarHBondContact O-NE 2.97Å; G53-R286 VanDerWaalsContact O-NE 3.16Å; G53-R286 PolarHBondContact O-NH1 3.08Å; G53-R286 PolarHBondContact O-NH2 3.32Å; L54-R286 HydrophobicContact CD1-CG 4.19Å; V101-R286 HydrophobicContact CG1-CB 3.98Å; V101-R286 HydrophobicContact CG2-CB 4Å; E282-R286 WeakPolarHBondContact O-CB 3.23Å; E282-R286 WeakPolarHBondContact O-CG 3.42Å; E282-R286 PolarHBondContact O-N 2.88Å; E282-R286 VanDerWaalsContact OE1-CG 3.3Å; E282-R286 WeakPolarHBondContact OE1-CG 3.19Å; E282-R286 IonicContact OE1-CZ 2.74Å; E282-R286 IonicContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH1 3.41Å; E282-R286 PolarHBondContact OE1-NH1 3.07Å; V283-R286 PolarHBondContact O-N 2.95Å; E284-R286 PolarHBondContact O-N 2.96Å; R286-L290 WeakPolarHBondContact O-CB 3.4Å; R286-L290 PolarHBondContact O-N 3.42Å |
| 287 | K | 92.4 | Very high | 89.8 | Confident | 90 Ų | 90 | 83.3 Ų | 83.3 | 39% | 0.391 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.3 | -37.2 | 177.5 | 169.9 | 167.4 | 157.5 | -84 | 0 | 113.1 | V101 V283 E284 R285 A291 | V101-K287 HydrophobicContact CG1-CB 3.92Å; V283-K287 VanDerWaalsContact O-CB 3.22Å; V283-K287 WeakPolarHBondContact O-CB 3.43Å; V283-K287 PolarHBondContact O-N 3.05Å; E284-K287 CarbonylContact O-C 3.48Å; E284-K287 WeakPolarHBondContact O-CB 3.25Å; E284-K287 PolarHBondContact O-N 3.3Å; E284-K287 VanDerWaalsContact O-N 3.14Å; E284-K287 IonicContact OE1-NZ 2.72Å; E284-K287 PolarHBondContact OE1-NZ 3.07Å; E284-K287 IonicContact OE2-NZ 3.11Å; E284-K287 PolarHBondContact OE2-NZ 2.62Å; R285-K287 VanDerWaalsContact C-N 3.31Å; R285-K287 PolarHBondContact O-N 2.96Å; K287-A291 WeakPolarHBondContact O-CB 3.19Å; K287-A291 PolarHBondContact O-N 3.24Å; K287-A291 VanDerWaalsContact O-N 3.07Å |
| 288 | V | 92.3 | Very high | 89.8 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.3 | -51.4 | 171.2 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | E284 R285 L290 A291 E292 | E284-V288 WeakPolarHBondContact O-CG2 3.37Å; E284-V288 PolarHBondContact O-N 3.41Å; R285-V288 PolarHBondContact O-N 2.86Å; V288-L290 VanDerWaalsContact C-N 3.29Å; V288-L290 PolarHBondContact O-N 3.46Å; V288-A291 WeakPolarHBondContact O-CA 3.45Å; V288-A291 WeakPolarHBondContact O-CB 3.46Å; V288-A291 PolarHBondContact O-N 2.71Å; V288-E292 PolarHBondContact O-N 3.41Å |
| 289 | F | 91.4 | Very high | 89.2 | Confident | 139 Ų | 139 | 81.3 Ų | 81.3 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.7 | -43.6 | 177 | 178 | -99.6 | 0 | 0 | 0 | 112.4 | R285 A291 E292 A293 | R285-F289 PolarHBondContact O-N 3.14Å; R285-F289 VanDerWaalsContact O-N 3.07Å; F289-A291 VanDerWaalsContact C-N 3.28Å; F289-A291 PolarHBondContact O-N 3.46Å; F289-E292 PolarHBondContact O-N 3.01Å; F289-A293 WeakPolarHBondContact O-CB 3.3Å; F289-A293 PolarHBondContact O-N 2.89Å |
| 290 | L | 90.4 | Very high | 88.2 | Confident | 27 Ų | 27 | 83.4 Ų | 83.4 | 14% | 0.141 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70.2 | -20.6 | 177.3 | -176.9 | 145.8 | 0 | 0 | 0 | 113.5 | D52 V101 R286 V288 K294 | D52-L290 HydrophobicContact CB-CD1 3.63Å; D52-L290 WeakPolarHBondContact OD1-CD1 3.45Å; V101-L290 HydrophobicContact CG1-CB 4.37Å; V101-L290 HydrophobicContact CG1-CD1 4.13Å; R286-L290 WeakPolarHBondContact O-CB 3.4Å; R286-L290 PolarHBondContact O-N 3.42Å; V288-L290 VanDerWaalsContact C-N 3.29Å; V288-L290 PolarHBondContact O-N 3.46Å; L290-K294 HydrophobicContact CD2-CD 4.34Å; L290-K294 VanDerWaalsContact O-CD 3.27Å; L290-K294 WeakPolarHBondContact O-CD 3.34Å; L290-K294 VanDerWaalsContact O-CG 3.25Å; L290-K294 WeakPolarHBondContact O-CG 3.43Å |
| 291 | A | 90.1 | Very high | 86.7 | Confident | 49 Ų | 49 | 83.7 Ų | 83.7 | 41% | 0.405 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -81.5 | -43.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K287 V288 F289 K294 L295 | K287-A291 WeakPolarHBondContact O-CB 3.19Å; K287-A291 PolarHBondContact O-N 3.24Å; K287-A291 VanDerWaalsContact O-N 3.07Å; V288-A291 WeakPolarHBondContact O-CA 3.45Å; V288-A291 WeakPolarHBondContact O-CB 3.46Å; V288-A291 PolarHBondContact O-N 2.71Å; F289-A291 VanDerWaalsContact C-N 3.28Å; F289-A291 PolarHBondContact O-N 3.46Å; A291-K294 WeakPolarHBondContact O-CB 3.35Å; A291-K294 PolarHBondContact O-N 2.77Å; A291-K294 VanDerWaalsContact O-N 3.13Å; A291-L295 PolarHBondContact O-N 3.11Å |
| 292 | E | 90.9 | Very high | 85.2 | Confident | 101 Ų | 101 | 82.2 Ų | 82.2 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 175.6 | -170.4 | -164 | 148.7 | 0 | 0 | 111.4 | V288 F289 K294 L295 K296 | V288-E292 PolarHBondContact O-N 3.41Å; F289-E292 PolarHBondContact O-N 3.01Å; E292-K294 PolarHBondContact O-N 3.48Å; E292-K294 VanDerWaalsContact O-N 3.16Å; E292-L295 PolarHBondContact O-N 3Å; E292-K296 PolarHBondContact O-N 3.08Å |
| 293 | A | 88.6 | Confident | 83.7 | Confident | 48 Ų | 48 | 87.1 Ų | 87.1 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.4 | -33.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F289 A297 | F289-A293 WeakPolarHBondContact O-CB 3.3Å; F289-A293 PolarHBondContact O-N 2.89Å; A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 2.98Å |
| 294 | K | 89 | Confident | 82 | Confident | 110 Ų | 110 | 88.7 Ų | 88.7 | 48% | 0.478 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -78 | -23.7 | 175.4 | -74.1 | 172.1 | -176.4 | 173.4 | 0 | 114.3 | L290 A291 E292 K298 | L290-K294 HydrophobicContact CD2-CD 4.34Å; L290-K294 VanDerWaalsContact O-CD 3.27Å; L290-K294 WeakPolarHBondContact O-CD 3.34Å; L290-K294 VanDerWaalsContact O-CG 3.25Å; L290-K294 WeakPolarHBondContact O-CG 3.43Å; A291-K294 WeakPolarHBondContact O-CB 3.35Å; A291-K294 PolarHBondContact O-N 2.77Å; A291-K294 VanDerWaalsContact O-N 3.13Å; E292-K294 PolarHBondContact O-N 3.48Å; E292-K294 VanDerWaalsContact O-N 3.16Å; K294-K298 WeakPolarHBondContact O-CD 3.39Å; K294-K298 VanDerWaalsContact O-CG 3.23Å; K294-K298 WeakPolarHBondContact O-CG 3.13Å |
| 295 | L | 88.6 | Confident | 80.5 | Confident | 66 Ų | 66 | 88.6 Ų | 88.6 | 35% | 0.346 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.9 | -47.1 | 170.8 | -69.3 | 172.7 | 0 | 0 | 0 | 109.6 | A291 E292 A297 K298 G299 L300 | A291-L295 PolarHBondContact O-N 3.11Å; E292-L295 PolarHBondContact O-N 3Å; L295-A297 PolarHBondContact O-N 3.34Å; L295-K298 CarbonylContact O-C 3.18Å; L295-K298 WeakPolarHBondContact O-CA 3.34Å; L295-K298 WeakPolarHBondContact O-CB 3.23Å; L295-K298 PolarHBondContact O-N 3.49Å; L295-G299 PolarHBondContact O-N 3.05Å; L295-L300 CarbonylContact C-O 3.52Å; L295-L300 HydrophobicContact CB-CB 4.33Å; L295-L300 HydrophobicContact CD2-CB 4.33Å; L295-L300 HydrophobicContact CD2-CD1 4.34Å; L295-L300 PolarHBondContact O-N 3.15Å |
| 296 | K | 88.6 | Confident | 78.6 | Confident | 164 Ų | 164 | 86.6 Ų | 86.6 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57 | -45.7 | 175 | -170.5 | 170.4 | -176.8 | 172.1 | 0 | 112.2 | E292 K298 G299 L300 | E292-K296 PolarHBondContact O-N 3.08Å; K296-K298 PolarHBondContact O-N 3Å; K296-K298 VanDerWaalsContact O-N 3.15Å; K296-G299 PolarHBondContact O-N 3.28Å; K296-L300 PolarHBondContact N-O 3.39Å |
| 297 | A | 85.1 | Confident | 76.7 | Confident | 90 Ų | 90 | 86 Ų | 86 | 74% | 0.744 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -8.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A293 L295 | A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 2.98Å; L295-A297 PolarHBondContact O-N 3.34Å |
| 298 | K | 86.3 | Confident | 74.7 | Confident | 160 Ų | 160 | 90.2 Ų | 90.2 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 5.7 | 172.7 | -72 | 177.2 | 179.3 | -171.1 | 0 | 113.3 | K294 L295 K296 L300 | K294-K298 WeakPolarHBondContact O-CD 3.39Å; K294-K298 VanDerWaalsContact O-CG 3.23Å; K294-K298 WeakPolarHBondContact O-CG 3.13Å; L295-K298 CarbonylContact O-C 3.18Å; L295-K298 WeakPolarHBondContact O-CA 3.34Å; L295-K298 WeakPolarHBondContact O-CB 3.23Å; L295-K298 PolarHBondContact O-N 3.49Å; K296-K298 PolarHBondContact O-N 3Å; K296-K298 VanDerWaalsContact O-N 3.15Å; K298-L300 VanDerWaalsContact C-N 3.31Å; K298-L300 HydrophobicContact CB-CD1 4.3Å; K298-L300 PolarHBondContact O-N 2.9Å |
| 299 | G | 75.2 | Confident | 72.7 | Confident | 37 Ų | 37 | 91.2 Ų | 91.2 | 38% | 0.381 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 28.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L295 K296 A307 | L295-G299 PolarHBondContact O-N 3.05Å; K296-G299 PolarHBondContact O-N 3.28Å; G299-A307 WeakPolarHBondContact O-CB 3.42Å; G299-A307 PolarHBondContact O-N 3.09Å |
| 300 | L | 67.1 | Low | 71 | Confident | 58 Ų | 58 | 88.6 Ų | 88.6 | 30% | 0.304 | 54% | 0.542 | S | S | . | . | B | Isolated β-bridge | trans | -113.6 | 129.4 | 175.7 | -72.8 | 162.2 | 0 | 0 | 0 | 109.9 | L295 K296 K298 G304 | L295-L300 CarbonylContact C-O 3.52Å; L295-L300 HydrophobicContact CB-CB 4.33Å; L295-L300 HydrophobicContact CD2-CB 4.33Å; L295-L300 HydrophobicContact CD2-CD1 4.34Å; L295-L300 PolarHBondContact O-N 3.15Å; K296-L300 PolarHBondContact N-O 3.39Å; K298-L300 VanDerWaalsContact C-N 3.31Å; K298-L300 HydrophobicContact CB-CD1 4.3Å; K298-L300 PolarHBondContact O-N 2.9Å; L300-G304 WeakPolarHBondContact CD2-O 3.36Å |
| 301 | N | 58 | Low | 68.7 | Low | 77 Ų | 77 | 95 Ų | 95 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | trans | -72.3 | 160.4 | 167.8 | -74.1 | -23.3 | 0 | 0 | 0 | 110.1 | D303 G304 T305 | N301-D303 PolarHBondContact O-N 3.49Å; N301-D303 VanDerWaalsContact O-N 3.13Å; N301-G304 PolarHBondContact O-N 2.88Å; N301-T305 PolarHBondContact N-O 3.44Å; N301-T305 VanDerWaalsContact N-O 3.09Å | ||
| 302 | P | 58 | Low | 66.5 | Low | 95 Ų | 95 | 96.3 Ų | 96.3 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -32.1 | -177.6 | 19 | -32.6 | 0 | 0 | 0 | 114.1 | G304 | P302-G304 PolarHBondContact O-N 3.27Š|
| 303 | D | 58.4 | Low | 64.3 | Low | 145 Ų | 145 | 94.6 Ų | 94.6 | 78% | 0.775 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 5.7 | 177.6 | -52.8 | -61.5 | 0 | 0 | 0 | 114.4 | N301 T305 | N301-D303 PolarHBondContact O-N 3.49Å; N301-D303 VanDerWaalsContact O-N 3.13Å; D303-T305 PolarHBondContact O-N 2.83Å |
| 304 | G | 56.8 | Low | 61.6 | Low | 50 Ų | 50 | 102.3 Ų | 102.3 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | S | Bend | trans | 79.4 | -7.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L300 N301 P302 | L300-G304 WeakPolarHBondContact CD2-O 3.36Å; N301-G304 PolarHBondContact O-N 2.88Å; P302-G304 PolarHBondContact O-N 3.27Å |
| 305 | T | 59.9 | Low | 59.4 | Low | 83 Ų | 83 | 102.8 Ų | 102.8 | 51% | 0.509 | 64% | 0.644 | S | S | . | * | trans | -61.1 | 132.2 | 169.6 | -49.5 | 0 | 0 | 0 | 0 | 110.1 | N301 D303 A307 | N301-T305 PolarHBondContact N-O 3.44Å; N301-T305 VanDerWaalsContact N-O 3.09Å; D303-T305 PolarHBondContact O-N 2.83Å; T305-A307 PolarHBondContact O-N 3.25Å | ||
| 306 | P | 52.3 | Low | 57.2 | Low | 95 Ų | 95 | 105.7 Ų | 105.7 | 62% | 0.617 | 67% | 0.667 | S | S | * | * | B | Isolated β-bridge | trans | -62.5 | 134.9 | 174 | 26.7 | -34.3 | 0 | 0 | 0 | 110.3 | L308 | P306-L308 PolarHBondContact O-N 3.19Å |
| 307 | A | 51 | Low | 54.5 | Low | 41 Ų | 41 | 102.7 Ų | 102.7 | 34% | 0.339 | 67% | 0.673 | S | S | . | * | trans | -70.7 | 112.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | G299 T305 S309 | G299-A307 WeakPolarHBondContact O-CB 3.42Å; G299-A307 PolarHBondContact O-N 3.09Å; T305-A307 PolarHBondContact O-N 3.25Å; A307-S309 VanDerWaalsContact C-N 3.3Å; A307-S309 PolarHBondContact O-N 3.13Å | ||
| 308 | L | 51.7 | Low | 52.1 | Low | 177 Ų | 177 | 103.8 Ų | 103.8 | 93% | 0.927 | 68% | 0.676 | S | S | * | * | trans | -67.2 | 88.9 | 168.5 | -97.8 | 157.7 | 0 | 0 | 0 | 108.9 | P306 G310 | P306-L308 PolarHBondContact O-N 3.19Å; L308-G310 PolarHBondContact O-N 2.95Å; L308-G310 VanDerWaalsContact O-N 3.13Å | ||
| 309 | S | 50.1 | Low | 49.7 | Very low | 103 Ų | 103 | 106 Ų | 106 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | trans | -65.2 | 110.8 | 172 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | A307 I311 | A307-S309 VanDerWaalsContact C-N 3.3Å; A307-S309 PolarHBondContact O-N 3.13Å; S309-I311 PolarHBondContact O-N 3.41Å | ||
| 310 | G | 54.3 | Low | 47.9 | Very low | 84 Ų | 84 | 109.9 Ų | 109.9 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | trans | -63.1 | 102.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L308 | L308-G310 PolarHBondContact O-N 2.95Å; L308-G310 VanDerWaalsContact O-N 3.13Å | ||
| 311 | I | 43.5 | Very low | 46 | Very low | 161 Ų | 161 | 112.8 Ų | 112.8 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | -110.6 | 122.1 | 154.1 | -59.9 | -178.7 | 0 | 0 | 0 | 105.2 | S309 | S309-I311 PolarHBondContact O-N 3.41Š| ||
| 312 | G | 42.8 | Very low | 44.8 | Very low | 77 Ų | 77 | 114 Ų | 114 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -73.8 | 162.9 | -168 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 313 | G | 45.8 | Very low | 44 | Very low | 66 Ų | 66 | 114.6 Ų | 114.6 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | trans | 106.9 | 45.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 314 | F | 32.2 | Very low | 42.6 | Very low | 210 Ų | 210 | 114 Ų | 114 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -143 | 93.1 | 154.5 | -87.1 | -68.4 | 0 | 0 | 0 | 112.3 | ||||
| 315 | S | 42.8 | Very low | 41.3 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -92 | 116.8 | 167.6 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | A317 | S315-A317 PolarHBondContact O-N 3Š| ||
| 316 | P | 40.7 | Very low | 39.9 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -76.8 | 115.9 | 171.5 | 30.3 | -31.5 | 0 | 0 | 0 | 109.8 | ||||
| 317 | A | 32.3 | Very low | 38.9 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -89.2 | 125.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S315 | S315-A317 PolarHBondContact O-N 3Š| ||
| 318 | S | 35.3 | Very low | 37.8 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -166.5 | 97.9 | 162.7 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 319 | K | 35 | Very low | 36.6 | Very low | 207 Ų | 207 | 129.5 Ų | 129.5 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | trans | -145.5 | 145.6 | 146.2 | -76.9 | -160.2 | 176.6 | -176.5 | 0 | 108.8 | ||||
| 320 | P | 37.1 | Very low | 35.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -92.9 | 167.1 | -171.6 | 37.4 | -36.7 | 0 | 0 | 0 | 114.1 | ||||
| 321 | C | 27.1 | Very low | 34.7 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 28.5 | 147.3 | 153.7 | -58.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 322 | S | 33.2 | Very low | 34.6 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | cis | 175.9 | -175.3 | -7.5 | -85.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 323 | P | 41.6 | Very low | 33.9 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | -134 | 177.8 | -63.5 | 40.8 | -24.2 | 0 | 0 | 0 | 114.6 | |||||
| 324 | V | 28.6 | Very low | 34.4 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | 73 | 143.9 | 166.5 | -161.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 325 | V | 31.1 | Very low | 34.4 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | cis | -133.5 | 168 | 40.8 | -174 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 326 | K | 29.6 | Very low | 33.7 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -80.4 | -166 | 179.8 | -56 | 176.9 | 177.2 | 177.4 | 0 | 113.7 | ||||
| 327 | V | 30.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 99.9 | 117.8 | 177 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 328 | E | 28.1 | Very low | 33.3 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | cis | -154.3 | -138.2 | -2.7 | -153 | 144.1 | -91.5 | 0 | 0 | 114.2 | ||||
| 329 | E | 27.6 | Very low | 33.9 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -81.4 | 177.3 | -178.2 | -63.9 | -168.4 | 142.4 | 0 | 0 | 113.2 | ||||
| 330 | K | 29.1 | Very low | 33.7 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | cis | -161.9 | 167.5 | 29.8 | -146.4 | 165.5 | -168.3 | 100.4 | 0 | 112.8 | ||||
| 331 | S | 35.2 | Very low | 33.5 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -150.7 | 157.2 | 170.3 | -69.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 332 | P | 40.3 | Very low | 33.6 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | -151.3 | 138.4 | 103.4 | 35.8 | -17.4 | 0 | 0 | 0 | 117.3 | |||||
| 333 | N | 29.8 | Very low | 33.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | 35.5 | 161.2 | 104.9 | -104.7 | 14.3 | 0 | 0 | 0 | 121.4 | |||||
| 334 | P | 55.6 | Low | 33.7 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 60% | 0.597 | 76% | 0.761 | S | S | * | * | cis | -143.1 | -154.8 | -40.6 | 31.4 | -6.9 | 0 | 0 | 0 | 113.8 | ||||
| 335 | Q | 31.3 | Very low | 34 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 88.6 | 148.3 | 157.2 | -52.7 | -159 | -1.7 | 0 | 0 | 118.8 | ||||
| 336 | T | 29.5 | Very low | 34 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 64% | 0.638 | 75% | 0.751 | S | S | * | * | cis | -162.4 | 165.9 | -11.2 | 21 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 337 | T | 31.5 | Very low | 34.3 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 66.9 | 130.4 | 145.5 | 45.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 338 | K | 32.1 | Very low | 34.5 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | -95.5 | -168.4 | 145.1 | -57.8 | -178.5 | 175 | 179.2 | 0 | 108 | ||||
| 339 | P | 48.7 | Very low | 34.8 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | cis | -148.9 | -163 | 8.8 | 28.4 | 1.4 | 0 | 0 | 0 | 117.4 | ||||
| 340 | V | 30.8 | Very low | 34.9 | Very low | 110 Ų | 110 | 141 Ų | 141 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | trans | 97.8 | 112.6 | 149.5 | -174.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 341 | K | 31.9 | Very low | 35 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | 47.6 | 158.7 | 139.8 | -59.6 | 173.9 | -170.5 | 169 | 0 | 120.5 | ||||
| 342 | K | 30.3 | Very low | 35 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | cis | -162 | 156.4 | 1.5 | -131.5 | -174.3 | 175.5 | -165.6 | 0 | 110.2 | ||||
| 343 | E | 31.8 | Very low | 34.5 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | trans | 26.7 | 141.5 | 141.1 | -70.5 | -52.5 | 131.3 | 0 | 0 | 122.6 | D345 | E343-D345 PolarHBondContact OE2-N 2.9Š| ||
| 344 | P | 45 | Very low | 35.6 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | -147.6 | 159.3 | 61.9 | 40.3 | -21 | 0 | 0 | 0 | 121.5 | |||||
| 345 | D | 34 | Very low | 34.7 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -33.6 | 149.6 | 161.9 | -116.9 | -44.2 | 0 | 0 | 0 | 117.8 | E343 | E343-D345 PolarHBondContact OE2-N 2.9Š| ||
| 346 | S | 31.3 | Very low | 34.9 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | 177.7 | 147.1 | 70.6 | 42.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 347 | R | 36.2 | Very low | 35.1 | Very low | 227 Ų | 227 | 141.3 Ų | 141.3 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | 65.9 | 146.1 | 147 | -87.5 | -168.7 | 170.2 | 166.7 | -2.5 | 120.7 | ||||
| 348 | T | 35.5 | Very low | 35.2 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | cis | -155.2 | 160.9 | 6.9 | -21.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 349 | Q | 33.8 | Very low | 35.4 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 73 | 145.5 | 158.3 | -61.7 | -162.4 | 32 | 0 | 0 | 118.7 | ||||
| 350 | V | 30.1 | Very low | 34.6 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | cis | -147.4 | 162.6 | -2.7 | 108.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 351 | N | 30.9 | Very low | 34.7 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | trans | -21.8 | 139.3 | 170.9 | -66.2 | -39.6 | 0 | 0 | 0 | 118.3 | ||||
| 352 | K | 33.8 | Very low | 35 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | cis | 108.2 | 119.1 | 35.4 | -90.6 | -176.1 | -179.8 | 174.7 | 0 | 111.9 | ||||
| 353 | S | 30.4 | Very low | 35.3 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | -152.2 | 125.3 | 159 | -71.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 354 | P | 53.5 | Low | 35.2 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -136.5 | 144.5 | 177.7 | 38.5 | -22.9 | 0 | 0 | 0 | 117.5 | ||||
| 355 | H | 37.3 | Very low | 34.5 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | 63.1 | 166.7 | 151.6 | -82.3 | -25 | 0 | 0 | 0 | 119.8 | ||||
| 356 | N | 34.8 | Very low | 34.5 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | cis | -137.2 | 158.2 | 4.3 | -140 | -15.2 | 0 | 0 | 0 | 109.7 | ||||
| 357 | G | 34 | Very low | 34.6 | Very low | 60 Ų | 60 | 149.2 Ų | 149.2 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | 121.1 | 150.3 | 63.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 358 | L | 32.8 | Very low | 34.5 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | cis | -149 | 142 | 15.9 | -78.7 | 150.5 | 0 | 0 | 0 | 108.5 | ||||
| 359 | R | 35.7 | Very low | 34.4 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | 52.1 | 141.3 | 92.5 | -74.8 | -174.2 | 173.2 | -90 | 5.4 | 115.4 | E361 | R359-E361 IonicContact NH1-OE1 2.7Š| |||
| 360 | K | 33.6 | Very low | 34.4 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | cis | -138.9 | 150.5 | 20.6 | -96.8 | -175.4 | 173.6 | 173.7 | 0 | 110.4 | ||||
| 361 | E | 32.8 | Very low | 34.5 | Very low | 144 Ų | 144 | 146 Ų | 146 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | 64.6 | 138.7 | 75.2 | -88.9 | -174.7 | -167.3 | 0 | 0 | 115.6 | R359 | R359-E361 IonicContact NH1-OE1 2.7Š| |||
| 362 | V | 36.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | cis | -167.1 | 165 | 2.6 | 84.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 363 | K | 36.6 | Very low | 34.7 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 74.4 | 127 | 155.5 | -80.2 | 174.2 | -176.7 | 174.5 | 0 | 124.7 | ||||
| 364 | I | 31 | Very low | 34.9 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | 73 | 126.6 | 133.6 | -62.1 | 166.6 | 0 | 0 | 0 | 120.7 | ||||
| 365 | G | 28.9 | Very low | 33.9 | Very low | 77 Ų | 77 | 154 Ų | 154 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 171.6 | 106.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 366 | R | 35 | Very low | 33.8 | Very low | 245 Ų | 245 | 150.6 Ų | 150.6 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -100.6 | 126.9 | 173.6 | -77.6 | -179 | 175 | 178.1 | -2.2 | 110.6 | ||||
| 367 | T | 33 | Very low | 33.7 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | -159.7 | 144.6 | 141.3 | 13 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 368 | S | 34.1 | Very low | 33.7 | Very low | 106 Ų | 106 | 159.6 Ų | 159.6 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | -104.8 | 153.1 | 171 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 369 | R | 33.3 | Very low | 33.7 | Very low | 247 Ų | 247 | 163.5 Ų | 163.5 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -167.8 | 136 | 133.7 | -107.7 | 158.7 | -177 | 172.6 | 1.2 | 112.4 | ||||
| 370 | S | 35 | Very low | 33.6 | Very low | 121 Ų | 121 | 159 Ų | 159 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -75.6 | 152 | 165.7 | 43.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 371 | G | 32.5 | Very low | 33.6 | Very low | 79 Ų | 79 | 162.6 Ų | 162.6 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | -158.6 | 45.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R373 | G371-R373 PolarHBondContact O-N 3.13Š| ||
| 372 | S | 36.3 | Very low | 33.6 | Very low | 115 Ų | 115 | 161.7 Ų | 161.7 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -72.9 | 115 | 175.3 | 44 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 373 | R | 31.8 | Very low | 33.4 | Very low | 248 Ų | 248 | 168 Ų | 168 | 94% | 0.936 | 85% | 0.852 | S | S | * | * | trans | -154.7 | 126.9 | 157.9 | -114.7 | 162.3 | -167.8 | 179.4 | 3.6 | 112.3 | G371 | G371-R373 PolarHBondContact O-N 3.13Š| ||
| 374 | S | 35.2 | Very low | 33.4 | Very low | 110 Ų | 110 | 165.7 Ų | 165.7 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | trans | -77.9 | 143.6 | 170.3 | 47.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 375 | R | 30.8 | Very low | 33.9 | Very low | 251 Ų | 251 | 163.5 Ų | 163.5 | 95% | 0.947 | 85% | 0.853 | S | S | * | * | trans | -162.4 | 146.3 | 142.5 | -109.2 | 154.1 | -170.3 | 177.6 | 2.1 | 112.1 | ||||
| 376 | S | 36.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 165.5 Ų | 165.5 | 75% | 0.748 | 86% | 0.855 | S | S | * | * | trans | -78.8 | 145.3 | -174.4 | 40.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 377 | R | 33.3 | Very low | 34 | Very low | 240 Ų | 240 | 162.2 Ų | 162.2 | 91% | 0.906 | 85% | 0.85 | S | S | * | * | trans | 179 | 129.6 | 142.5 | -100.7 | 156.1 | -174.3 | -174.5 | 1.9 | 110.9 | ||||
| 378 | T | 32.4 | Very low | 34 | Very low | 144 Ų | 144 | 165.4 Ų | 165.4 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | -170.8 | 119 | 129.5 | 24.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 379 | R | 33.4 | Very low | 34 | Very low | 232 Ų | 232 | 170.7 Ų | 170.7 | 88% | 0.875 | 85% | 0.849 | S | S | * | * | -74 | 151.4 | 129 | -63 | 171.5 | 168.8 | 167.5 | -5.5 | 104.9 | |||||
| 380 | S | 33.8 | Very low | 33.9 | Very low | 102 Ų | 102 | 166.9 Ų | 166.9 | 71% | 0.713 | 84% | 0.841 | S | S | * | * | cis | -163.7 | 158.1 | 46.6 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 381 | R | 33.2 | Very low | 33.8 | Very low | 247 Ų | 247 | 171.8 Ų | 171.8 | 93% | 0.932 | 84% | 0.843 | S | S | * | * | trans | 15.4 | 126.7 | 142.6 | -60.2 | 172.9 | 175 | 168.5 | -3.2 | 119 | ||||
| 382 | S | 32.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 174.7 Ų | 174.7 | 88% | 0.881 | 84% | 0.84 | S | S | * | * | -137 | 139.8 | 126.3 | 55.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 383 | R | 33.6 | Very low | 33.8 | Very low | 246 Ų | 246 | 174.9 Ų | 174.9 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | trans | -118.5 | 145.7 | 172.4 | -81.5 | 178.2 | 167.5 | 175.9 | -5.6 | 107.1 | ||||
| 384 | S | 35.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 174 Ų | 174 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -161.9 | 156.8 | 133.4 | -100.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 385 | P | 41.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 180.6 Ų | 180.6 | 76% | 0.76 | 85% | 0.846 | S | S | * | * | trans | -115.8 | 167.9 | -165.2 | 40.7 | -30 | 0 | 0 | 0 | 114.4 | ||||
| 386 | S | 34.2 | Very low | 33.9 | Very low | 120 Ų | 120 | 173.2 Ų | 173.2 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -132.3 | 138 | 164.9 | 58 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 387 | H | 32.7 | Very low | 33.8 | Very low | 175 Ų | 175 | 179.6 Ų | 179.6 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | trans | -79.9 | 153.2 | -174.6 | -71.6 | -127.8 | 0 | 0 | 0 | 112.5 | ||||
| 388 | R | 32.9 | Very low | 33.8 | Very low | 218 Ų | 218 | 173.7 Ų | 173.7 | 82% | 0.823 | 84% | 0.835 | S | S | * | * | -170.5 | 126 | 112 | -102.4 | 167 | -173.6 | -150.7 | 1.8 | 115.2 | |||||
| 389 | R | 33.5 | Very low | 33.8 | Very low | 217 Ų | 217 | 169.5 Ų | 169.5 | 82% | 0.819 | 82% | 0.821 | S | S | * | * | trans | 43.4 | 108.4 | 142.7 | -62.7 | 179.1 | 178.6 | 174 | -1.7 | 119.2 | ||||
| 390 | H | 30.6 | Very low | 33.7 | Very low | 166 Ų | 166 | 165.1 Ų | 165.1 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -68.6 | 148.3 | 147.7 | -82.7 | -82.3 | 0 | 0 | 0 | 111 | ||||
| 391 | Y | 33.9 | Very low | 33.4 | Very low | 225 Ų | 225 | 171.2 Ų | 171.2 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -133 | 114.6 | 149.5 | -128.8 | -96.5 | 0 | 0 | 0 | 107.5 | ||||
| 392 | N | 32.8 | Very low | 33.3 | Very low | 140 Ų | 140 | 163 Ų | 163 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -117 | 95.1 | -178.6 | -104.8 | -15.1 | 0 | 0 | 0 | 108.8 | R394 | N392-R394 PolarHBondContact O-N 3.4Š| ||
| 393 | S | 35 | Very low | 33.3 | Very low | 119 Ų | 119 | 161.5 Ų | 161.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 112.7 | 169.3 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 394 | R | 33.9 | Very low | 33.1 | Very low | 229 Ų | 229 | 160.8 Ų | 160.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 128.7 | 166.8 | -71.5 | 176.4 | 171.5 | 174.9 | -3.3 | 108.9 | N392 | N392-R394 PolarHBondContact O-N 3.4Š| ||
| 395 | R | 32.9 | Very low | 32.9 | Very low | 249 Ų | 249 | 159.5 Ų | 159.5 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | trans | -139.7 | 136.1 | 138.9 | -130.5 | 174.8 | -171.7 | -172.4 | 2.3 | 110.8 | ||||
| 396 | S | 33.2 | Very low | 32.3 | Very low | 96 Ų | 96 | 164.9 Ų | 164.9 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -119.7 | 174.5 | -170.8 | -44.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 397 | R | 34.8 | Very low | 32.1 | Very low | 241 Ų | 241 | 164.2 Ų | 164.2 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 70.5 | 155.1 | 169.5 | -65.3 | 176.1 | 171 | 174.8 | -4.9 | 114.4 | ||||
| 398 | S | 33.4 | Very low | 32 | Very low | 115 Ų | 115 | 167.5 Ų | 167.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | 178 | 157.2 | -24.6 | 52 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 399 | G | 31.9 | Very low | 32 | Very low | 56 Ų | 56 | 161.6 Ų | 161.6 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | cis | -162.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 400 | T | 30.7 | Very low | 31.8 | Very low | 140 Ų | 140 | 160 Ų | 160 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | 67.6 | 131.2 | 103.6 | 55.4 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 401 | Y | 29.4 | Very low | 31.8 | Very low | 230 Ų | 230 | 156.9 Ų | 156.9 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | 77.4 | 137.7 | 165.5 | -133.2 | -106.6 | 0 | 0 | 0 | 115.8 | ||||
| 402 | S | 29.5 | Very low | 31.7 | Very low | 76 Ų | 76 | 158 Ų | 158 | 53% | 0.531 | 79% | 0.787 | S | S | . | * | cis | -162.6 | 178.5 | -18.2 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 403 | S | 31.9 | Very low | 31.8 | Very low | 94 Ų | 94 | 156.7 Ų | 156.7 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | -60.2 | 146.8 | 175.8 | 59.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 404 | R | 29.8 | Very low | 32.1 | Very low | 230 Ų | 230 | 157.2 Ų | 157.2 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | -178 | 133.5 | 108.5 | -102.3 | 177.7 | 166.3 | 127.4 | -6 | 115.6 | |||||
| 405 | S | 31.1 | Very low | 32.1 | Very low | 97 Ų | 97 | 154.3 Ų | 154.3 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | 38.1 | 131 | 128.3 | -52.5 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 406 | R | 30.2 | Very low | 33 | Very low | 230 Ų | 230 | 148.2 Ų | 148.2 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | 77.5 | 103 | 136.6 | -71 | 174.2 | 175.9 | 167.9 | -2.6 | 121.7 | ||||
| 407 | S | 30 | Very low | 33 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | 48.9 | 129.9 | 108.2 | -47.7 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 408 | R | 31.1 | Very low | 32.9 | Very low | 244 Ų | 244 | 152.4 Ų | 152.4 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | 73.7 | 149 | 155.9 | -65.8 | 176 | 178.7 | 175.8 | -2.3 | 116.6 | ||||
| 409 | S | 31.7 | Very low | 33 | Very low | 93 Ų | 93 | 155.7 Ų | 155.7 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | cis | -173.3 | 155.2 | -11.2 | 45.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 410 | H | 29.1 | Very low | 33.7 | Very low | 184 Ų | 184 | 158.5 Ų | 158.5 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | 68.5 | 161.4 | 169.9 | -62.4 | -7.4 | 0 | 0 | 0 | 115.6 | ||||
| 411 | S | 32 | Very low | 34.5 | Very low | 101 Ų | 101 | 157.8 Ų | 157.8 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -152.1 | 154.2 | 20.7 | -51.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 412 | R | 30.9 | Very low | 34.9 | Very low | 249 Ų | 249 | 152.6 Ų | 152.6 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | trans | 61.4 | 145.9 | 147.4 | -69.6 | 177.6 | -178.9 | -142.2 | -0.8 | 122.3 | ||||
| 413 | S | 36.2 | Very low | 36.1 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -108.9 | 164.4 | 175.9 | -30.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 414 | P | 40.2 | Very low | 36.1 | Very low | 130 Ų | 130 | 158 Ų | 158 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | trans | -112.5 | -174.2 | 136.5 | -10.5 | 30.5 | 0 | 0 | 0 | 114.4 | ||||
| 415 | L | 34.8 | Very low | 36.2 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 161.6 | -167.4 | -73 | 146.3 | 0 | 0 | 0 | 114.9 | ||
| 416 | P | 50.2 | Low | 37.2 | Very low | 121 Ų | 121 | 154.7 Ų | 154.7 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 160.2 | 178.9 | 36.6 | -35.8 | 0 | 0 | 0 | 114.8 | ||
| 417 | H | 33.9 | Very low | 37.2 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 161.5 | 179.9 | -101.4 | -98.4 | 0 | 0 | 0 | 114.7 | ||
| 418 | R | 32.6 | Very low | 37.4 | Very low | 236 Ų | 236 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 158.2 | 170.7 | -83.1 | 177.1 | 161.4 | -177.8 | -5.7 | 112.7 | ||
| 419 | H | 36.3 | Very low | 37.4 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -126 | 161.1 | 156.2 | -79.3 | -72.7 | 0 | 0 | 0 | 111.2 | ||||
| 420 | P | 46.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -103.3 | 169.1 | -161.6 | 39.7 | -35.9 | 0 | 0 | 0 | 115.6 | ||||
| 421 | P | 47.3 | Very low | 37.6 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -94.6 | 169.6 | 174 | 38.4 | -35.4 | 0 | 0 | 0 | 114.1 | ||||
| 422 | S | 37 | Very low | 37.5 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -117.9 | 155.4 | 171.8 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 423 | P | 54.7 | Low | 37.5 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -104.8 | 157.7 | -174.9 | 38.7 | -34 | 0 | 0 | 0 | 114.8 | ||||
| 424 | L | 31.5 | Very low | 37.5 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | -178.5 | 169.9 | 125.6 | -96.1 | 165.7 | 0 | 0 | 0 | 113.4 | |||||
| 425 | L | 32.3 | Very low | 37.1 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -93.6 | -175.1 | -162.5 | -74.1 | 163.3 | 0 | 0 | 0 | 114.2 | ||||
| 426 | P | 51.7 | Low | 36.9 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | cis | -141.2 | -173.7 | -36.3 | 33.4 | -12.7 | 0 | 0 | 0 | 116 | ||||
| 427 | H | 31.6 | Very low | 36 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 116.7 | 148.5 | 127.8 | -129.6 | -86.8 | 0 | 0 | 0 | 122 | |||||
| 428 | L | 33.4 | Very low | 36.1 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 73.2 | 118.9 | 172.9 | -55.3 | 175.1 | 0 | 0 | 0 | 116.7 | ||||
| 429 | K | 30.6 | Very low | 36.1 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | 70.5 | 133.3 | 69.6 | -71.2 | -174.8 | -178.3 | 177.8 | 0 | 112.5 | |||||
| 430 | S | 32.3 | Very low | 36.1 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -162.3 | 169.1 | 17.2 | 54.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 431 | K | 32.4 | Very low | 35.4 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | 26.2 | 146.7 | 138.9 | -68.9 | -173.6 | 178.9 | -173 | 0 | 121.1 | ||||
| 432 | S | 31.3 | Very low | 34.7 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | cis | -173.3 | 153.4 | 4.9 | 40.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 433 | S | 30.6 | Very low | 34.6 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | 53.9 | 126 | 141.7 | 63.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 434 | H | 35 | Very low | 33.6 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 64.6 | 146.7 | 140.8 | -62.6 | -19.2 | 0 | 0 | 0 | 119.2 | ||||
| 435 | H | 33 | Very low | 33.7 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | cis | -141 | 176 | -5.4 | -74 | -67.1 | 0 | 0 | 0 | 107.7 | ||||
| 436 | G | 30.1 | Very low | 33.9 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | cis | 154.5 | 158.2 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 437 | N | 32.3 | Very low | 33 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | 78.7 | 159 | 167.1 | -151 | 21.2 | 0 | 0 | 0 | 121.5 | ||||
| 438 | S | 34.1 | Very low | 33 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 76.1 | 115.5 | 167.6 | 48.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 439 | D | 32.6 | Very low | 33 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -38.8 | 149.5 | 163.8 | -68.1 | -92.3 | 0 | 0 | 0 | 116.5 | ||||
| 440 | S | 36.9 | Very low | 32.8 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | -174.1 | 143.5 | 75.9 | 36.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 441 | K | 33.2 | Very low | 32.7 | Very low | 188 Ų | 188 | 132 Ų | 132 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | 12 | 126.7 | 144 | -69.3 | 176.2 | -175.6 | 174.9 | 0 | 116.7 | ||||
| 442 | L | 32.9 | Very low | 32.4 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | -166.6 | 174.1 | 56.6 | -116.4 | 141.7 | 0 | 0 | 0 | 114.4 | |||||
| 443 | S | 34.5 | Very low | 32.3 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -44.2 | 154.6 | 172 | 53.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 444 | G | 33.2 | Very low | 32.5 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | 110.6 | 116 | 20.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 445 | R | 33.5 | Very low | 32.2 | Very low | 229 Ų | 229 | 123 Ų | 123 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -74.3 | 153.8 | -175.9 | -62.1 | 171.4 | 174.4 | 165.4 | -3.4 | 111.2 | ||||
| 446 | H | 35.9 | Very low | 32.3 | Very low | 180 Ų | 180 | 123.1 Ų | 123.1 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | -173 | -176 | 104.9 | -99.3 | -69.4 | 0 | 0 | 0 | 111.5 | |||||
| 447 | S | 33.8 | Very low | 32.5 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -140.8 | 154.3 | -150.3 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 448 | N | 31.1 | Very low | 32.5 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | 89.7 | 113.8 | 148.9 | -116 | 47.2 | 0 | 0 | 0 | 120.9 | ||||
| 449 | S | 32.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | 67 | 118.7 | 126.6 | 65.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 450 | G | 27.8 | Very low | 32.3 | Very low | 87 Ų | 87 | 141 Ų | 141 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | 121.2 | 128.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 451 | G | 28.7 | Very low | 32 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | cis | 165.6 | 150 | -12 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 452 | G | 27.4 | Very low | 31.8 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | 103.9 | 153.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 453 | G | 28.6 | Very low | 31.6 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 122.1 | 93 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 454 | S | 33.8 | Very low | 31.3 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | trans | 65.5 | 154.6 | 157.4 | -133.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 455 | G | 29.8 | Very low | 31.2 | Very low | 61 Ų | 61 | 148.7 Ų | 148.7 | 63% | 0.629 | 82% | 0.817 | S | S | * | * | cis | -179.2 | 142.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 456 | H | 35.1 | Very low | 30.9 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 83% | 0.833 | 82% | 0.816 | S | S | * | * | trans | 65.3 | 140.1 | 150.7 | -79.5 | -43.6 | 0 | 0 | 0 | 126.2 | ||||
| 457 | K | 34.1 | Very low | 30.7 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | 94.2 | 161.7 | 147.7 | -76.5 | 165.3 | -178.3 | 175.4 | 0 | 119.4 | ||||
| 458 | R | 33.5 | Very low | 31.5 | Very low | 238 Ų | 238 | 146.8 Ų | 146.8 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -143.7 | 169.2 | -148.7 | -78.3 | 177.6 | 162.6 | -180 | -5.1 | 111.9 | ||||
| 459 | K | 32.4 | Very low | 31.5 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | 83.7 | 156.8 | 167.5 | -60.8 | -178 | 179.5 | 179.8 | 0 | 115.5 | ||||
| 460 | R | 30.2 | Very low | 31.5 | Very low | 221 Ų | 221 | 150 Ų | 150 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | cis | -169.7 | 167.7 | -39.2 | -147.1 | -173.4 | 179.5 | -178.3 | -0.4 | 108.1 | ||||
| 461 | T | 29.8 | Very low | 31.6 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 72% | 0.718 | 81% | 0.809 | S | S | * | * | trans | 55.4 | 84.8 | 154.8 | 46.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 462 | R | 28.8 | Very low | 31.8 | Very low | 239 Ų | 239 | 153 Ų | 153 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | 20.7 | 122.1 | 110.4 | -159.8 | -174.8 | -158.1 | 162.5 | 5.2 | 118.8 | |||||
| 463 | S | 29.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 160.6 Ų | 160.6 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | 149 | 152.5 | 124.5 | -64.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 464 | R | 28.1 | Very low | 32.2 | Very low | 240 Ų | 240 | 164.1 Ų | 164.1 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | 69.8 | 149.2 | 159.4 | -72.7 | 172.4 | 175.7 | 162.7 | -2.7 | 119.1 | ||||
| 465 | S | 29.5 | Very low | 32.2 | Very low | 93 Ų | 93 | 168.7 Ų | 168.7 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | cis | 176.2 | 161.1 | -27 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 466 | R | 28.4 | Very low | 32.3 | Very low | 226 Ų | 226 | 175.1 Ų | 175.1 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | 77.2 | 115.5 | 164.8 | -74.3 | 177.3 | 172.8 | 174.6 | -4.3 | 117.2 | ||||
| 467 | T | 30.5 | Very low | 32.1 | Very low | 123 Ų | 123 | 178.1 Ų | 178.1 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | 83.4 | 156.7 | 65.1 | 57.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 468 | P | 52.1 | Low | 31.9 | Very low | 116 Ų | 116 | 178 Ų | 178 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | cis | -108.7 | -137.9 | -10.4 | 10.2 | 16 | 0 | 0 | 0 | 112 | ||||
| 469 | V | 31 | Very low | 31.9 | Very low | 126 Ų | 126 | 178.1 Ų | 178.1 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | cis | -158.7 | 170.9 | 6.7 | -145.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 470 | K | 32.3 | Very low | 31.8 | Very low | 197 Ų | 197 | 176.7 Ų | 176.7 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | 87.5 | 98.2 | 154.6 | -71.8 | -158.2 | 177.8 | -171.7 | 0 | 123.4 | ||||
| 471 | A | 31 | Very low | 32 | Very low | 80 Ų | 80 | 176.2 Ų | 176.2 | 66% | 0.661 | 83% | 0.825 | S | S | * | * | 65.6 | 102.8 | 122.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 472 | D | 31.3 | Very low | 32 | Very low | 154 Ų | 154 | 178 Ų | 178 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | 60.4 | 116.9 | 120.1 | -44.3 | -28.7 | 0 | 0 | 0 | 123.2 | |||||
| 473 | R | 35.1 | Very low | 32.1 | Very low | 248 Ų | 248 | 176.1 Ų | 176.1 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | -163.7 | 146.6 | 128.4 | -108.4 | 172.9 | -170.9 | -175.8 | 3.2 | 111.6 | |||||
| 474 | D | 31 | Very low | 32.1 | Very low | 150 Ų | 150 | 178 Ų | 178 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -82.7 | 144.8 | -169 | -44.1 | -91.2 | 0 | 0 | 0 | 114.7 | ||||
| 475 | R | 33 | Very low | 32.1 | Very low | 233 Ų | 233 | 178.3 Ų | 178.3 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | -175.8 | 168.1 | 111.7 | -98.8 | 170.6 | 178.8 | 123.2 | 1.2 | 112.3 | |||||
| 476 | E | 30.7 | Very low | 32.1 | Very low | 196 Ų | 196 | 179 Ų | 179 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -78.9 | 167.2 | -157.9 | -66.4 | 162.2 | 122 | 0 | 0 | 114.8 | ||||
| 477 | R | 31.3 | Very low | 32.2 | Very low | 243 Ų | 243 | 177.3 Ų | 177.3 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -116.5 | 136.6 | -180 | -63.3 | 173.8 | 177.5 | 145.1 | -0.9 | 110.2 | ||||
| 478 | E | 30.8 | Very low | 32.1 | Very low | 196 Ų | 196 | 177.9 Ų | 177.9 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -132.6 | 133.4 | 140.6 | -77.7 | -155.1 | 147.2 | 0 | 0 | 111 | ||||
| 479 | R | 32.3 | Very low | 31.1 | Very low | 241 Ų | 241 | 181.3 Ų | 181.3 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -164.7 | 115.2 | 162.5 | -95 | -166.8 | -178.6 | 174.8 | 1.8 | 106 | ||||
| 480 | D | 31.8 | Very low | 31.1 | Very low | 171 Ų | 171 | 180.8 Ų | 180.8 | 91% | 0.914 | 83% | 0.829 | S | S | * | * | trans | -141 | 163.4 | 164.1 | -112.2 | -41.5 | 0 | 0 | 0 | 112.2 | ||||
| 481 | R | 33 | Very low | 31 | Very low | 212 Ų | 212 | 176.7 Ų | 176.7 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | trans | -128.9 | 147 | -177.3 | -79.1 | -172.4 | 171.5 | 99.6 | -6.4 | 110.6 | ||||
| 482 | E | 30.7 | Very low | 31.1 | Very low | 154 Ų | 154 | 182.9 Ų | 182.9 | 72% | 0.72 | 84% | 0.838 | S | S | * | * | trans | 50.3 | 116.6 | 153.8 | -63 | 171.9 | -131.9 | 0 | 0 | 116.6 | ||||
| 483 | R | 30.8 | Very low | 31.1 | Very low | 200 Ų | 200 | 185 Ų | 185 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | 175 | 152 | 71 | 177.5 | 171.1 | -69.4 | -162.8 | -3.8 | 111.5 | |||||
| 484 | D | 29.2 | Very low | 30.9 | Very low | 140 Ų | 140 | 183 Ų | 183 | 75% | 0.749 | 84% | 0.84 | S | S | * | * | trans | 11 | 117.3 | 161.1 | -47.3 | -39 | 0 | 0 | 0 | 119.7 | ||||
| 485 | R | 28.6 | Very low | 30.9 | Very low | 246 Ų | 246 | 183.7 Ų | 183.7 | 93% | 0.928 | 84% | 0.836 | S | S | * | * | trans | -142.2 | 148.8 | 138 | -79.3 | -154.6 | 176.2 | 178.7 | 2 | 113.1 | ||||
| 486 | S | 29.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 179 Ų | 179 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -81.8 | 143.5 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 487 | F | 29.7 | Very low | 30.6 | Very low | 191 Ų | 191 | 175.5 Ų | 175.5 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -139.3 | 161.1 | 154.3 | -92.2 | -91.2 | 0 | 0 | 0 | 107.2 | ||||
| 488 | D | 30 | Very low | 30.5 | Very low | 134 Ų | 134 | 174.9 Ų | 174.9 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | cis | -143.8 | 166.7 | 12.6 | -156.6 | -16.1 | 0 | 0 | 0 | 111.3 | ||||
| 489 | F | 29.7 | Very low | 30.3 | Very low | 188 Ų | 188 | 169.3 Ų | 169.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -138 | 99.9 | 169.6 | -151.7 | -74.8 | 0 | 0 | 0 | 110.6 | ||||
| 490 | S | 31.4 | Very low | 30.2 | Very low | 115 Ų | 115 | 164.2 Ų | 164.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -69.5 | 138.4 | -172.7 | -164.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 491 | S | 31 | Very low | 30.2 | Very low | 111 Ų | 111 | 159.8 Ų | 159.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -101.1 | 133.1 | -174.1 | -66.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 492 | K | 32.4 | Very low | 30.2 | Very low | 211 Ų | 211 | 156.9 Ų | 156.9 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -138.8 | 126.5 | 157.5 | -94.8 | -177.9 | 177 | 176.5 | 0 | 111.3 | ||||
| 493 | K | 31.9 | Very low | 30.3 | Very low | 199 Ų | 199 | 160.3 Ų | 160.3 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -85.3 | 151.8 | 169.7 | -73.2 | 176.3 | 174.4 | 173.3 | 0 | 110.1 | ||||
| 494 | H | 29.4 | Very low | 30.4 | Very low | 204 Ų | 204 | 156.4 Ų | 156.4 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | -151.3 | -177.5 | 129.6 | -107.1 | -77.8 | 0 | 0 | 0 | 109.1 | |||||
| 495 | K | 30.9 | Very low | 30.6 | Very low | 166 Ų | 166 | 159.7 Ų | 159.7 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -139.1 | 166.7 | -153.9 | -172.9 | -169.8 | 169.2 | -150.2 | 0 | 111.2 | ||||
| 496 | H | 29.2 | Very low | 30.8 | Very low | 135 Ų | 135 | 158.6 Ų | 158.6 | 63% | 0.625 | 79% | 0.79 | S | S | * | * | trans | 84.6 | 145.8 | 174.1 | -64.1 | -89 | 0 | 0 | 0 | 115.6 | ||||
| 497 | E | 28.6 | Very low | 30.8 | Very low | 122 Ų | 122 | 161.8 Ų | 161.8 | 57% | 0.57 | 79% | 0.793 | S | S | * | * | cis | -167.6 | 161.3 | -24.4 | -158.2 | 179.5 | -79.4 | 0 | 0 | 110.4 | ||||
| 498 | R | 29.2 | Very low | 30.8 | Very low | 229 Ų | 229 | 164.1 Ų | 164.1 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 70.7 | 149.1 | 164.9 | -48.6 | -172.7 | -177.1 | -161.9 | -4.9 | 118.9 | ||||
| 499 | G | 27.7 | Very low | 30.8 | Very low | 79 Ų | 79 | 161.7 Ų | 161.7 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | 143 | 87.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 500 | S | 30.3 | Very low | 30.9 | Very low | 135 Ų | 135 | 164 Ų | 164 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | trans | -70.1 | 147.1 | 179.8 | -53.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 501 | G | 30.1 | Very low | 30.9 | Very low | 78 Ų | 78 | 163.7 Ų | 163.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -160.1 | 12.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 502 | H | 33.1 | Very low | 31 | Very low | 151 Ų | 151 | 169.4 Ų | 169.4 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 25.9 | 108.9 | 153.8 | -160.8 | 20.7 | 0 | 0 | 0 | 120.5 | ||||
| 503 | R | 33.6 | Very low | 31 | Very low | 226 Ų | 226 | 166.8 Ų | 166.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | 176.3 | 153.2 | 112.9 | -95.3 | 176.4 | -177.7 | -173.1 | 0.5 | 116.6 | |||||
| 504 | D | 33.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 166.4 Ų | 166.4 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | -75.7 | 157.4 | -168.4 | -83.3 | -101.2 | 0 | 0 | 0 | 119.2 | ||||
| 505 | R | 32.3 | Very low | 31.1 | Very low | 209 Ų | 209 | 162.6 Ų | 162.6 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | trans | 67.9 | 152.3 | 143 | -72.1 | 166.2 | -177.6 | -165 | -2.8 | 118 | ||||
| 506 | R | 32.3 | Very low | 31.1 | Very low | 224 Ų | 224 | 165.6 Ų | 165.6 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | cis | -150.6 | 152.3 | 3.3 | -142.1 | 174.6 | -175.1 | 177.4 | 0.3 | 111.2 | ||||
| 507 | E | 30.5 | Very low | 31.2 | Very low | 173 Ų | 173 | 164.7 Ų | 164.7 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -84.8 | 145.2 | 171.7 | -54.8 | 176.6 | 112.3 | 0 | 0 | 113.6 | ||||
| 508 | R | 30 | Very low | 31.5 | Very low | 241 Ų | 241 | 168.6 Ų | 168.6 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | -178.1 | 119.2 | 125.7 | -102.8 | 174.1 | 166.1 | 168.3 | -4.2 | 108 | |||||
| 509 | S | 30.3 | Very low | 31.6 | Very low | 82 Ų | 82 | 162 Ų | 162 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | cis | 84.8 | 117.8 | 47.9 | -60.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 510 | R | 32.3 | Very low | 32 | Very low | 236 Ų | 236 | 167 Ų | 167 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | 70.6 | 152.9 | 157.3 | -62.8 | 173.8 | -176.3 | 128.1 | 2.4 | 116.7 | ||||
| 511 | S | 30.2 | Very low | 32.1 | Very low | 110 Ų | 110 | 170.8 Ų | 170.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | cis | -164.7 | 166.1 | -17.7 | 43.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 512 | Y | 34.3 | Very low | 32.3 | Very low | 230 Ų | 230 | 172.2 Ų | 172.2 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -92.9 | 141.8 | 179.5 | -53.1 | -93.4 | 0 | 0 | 0 | 113 | ||||
| 513 | E | 31.4 | Very low | 32.3 | Very low | 156 Ų | 156 | 174.9 Ų | 174.9 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | trans | 163.6 | 159.3 | 150.7 | -96.9 | -149.4 | 140.4 | 0 | 0 | 108.8 | ||||
| 514 | R | 30.4 | Very low | 32.3 | Very low | 191 Ų | 191 | 172.1 Ų | 172.1 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -162.6 | 162.7 | -29.6 | -141.3 | -164.6 | -178.4 | 132.4 | -6.1 | 109.5 | ||||
| 515 | D | 33.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 175.7 Ų | 175.7 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | 8.8 | 130 | 160.2 | -49.4 | -36.2 | 0 | 0 | 0 | 121.4 | ||||
| 516 | R | 30.8 | Very low | 32.3 | Very low | 230 Ų | 230 | 169.1 Ų | 169.1 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | 177.3 | 137.4 | 113 | -101.1 | 178.6 | -179.3 | 167.8 | 1.4 | 118.8 | |||||
| 517 | D | 32.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 164.3 Ų | 164.3 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | trans | 70.9 | 139.7 | 134.9 | -87.1 | -51.5 | 0 | 0 | 0 | 126.9 | ||||
| 518 | R | 33.3 | Very low | 32.4 | Very low | 204 Ų | 204 | 161.9 Ų | 161.9 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 79.8 | 88 | 137.6 | -71.3 | 164.3 | -161.6 | -159 | -0.2 | 124.7 | ||||
| 519 | S | 32.3 | Very low | 32.5 | Very low | 92 Ų | 92 | 154 Ų | 154 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | 48.8 | 132.3 | 103.9 | 71.5 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 520 | H | 36.4 | Very low | 32.8 | Very low | 184 Ų | 184 | 159.5 Ų | 159.5 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | 64.6 | 118 | 145.7 | -65.7 | -58.2 | 0 | 0 | 0 | 122.4 | ||||
| 521 | K | 32.2 | Very low | 33 | Very low | 214 Ų | 214 | 153.7 Ų | 153.7 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | -159.9 | 170.4 | 115.2 | -124 | 168 | -175.5 | 169.1 | 0 | 112.9 | |||||
| 522 | S | 33.3 | Very low | 33.2 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -130.9 | 161.7 | -176.6 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 523 | K | 33.4 | Very low | 33.4 | Very low | 208 Ų | 208 | 150.1 Ų | 150.1 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -171.9 | 175.4 | 141.1 | -107.6 | 174.2 | -178.2 | -169 | 0 | 113.4 | ||||
| 524 | H | 34.3 | Very low | 33.7 | Very low | 167 Ų | 167 | 147 Ų | 147 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -103.1 | -175 | -163.5 | -83.7 | -91.9 | 0 | 0 | 0 | 115.1 | ||||
| 525 | H | 34.3 | Very low | 34.4 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 89% | 0.889 | 79% | 0.794 | S | S | * | * | trans | 100.6 | 137.7 | 164.6 | -51.9 | -74.5 | 0 | 0 | 0 | 115.9 | ||||
| 526 | G | 30.8 | Very low | 34.9 | Very low | 72 Ų | 72 | 151.8 Ų | 151.8 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | cis | 163.1 | 136.3 | -16.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 527 | S | 31.9 | Very low | 35.6 | Very low | 123 Ų | 123 | 152 Ų | 152 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 81.1 | 159.8 | 158.7 | -151.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 528 | S | 33.8 | Very low | 36.3 | Very low | 122 Ų | 122 | 162 Ų | 162 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | 64.9 | 140.4 | 178.6 | 71.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 529 | G | 31.1 | Very low | 36.4 | Very low | 75 Ų | 75 | 159.9 Ų | 159.9 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | cis | -165.7 | 179.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 530 | H | 35.9 | Very low | 36.6 | Very low | 197 Ų | 197 | 163.5 Ų | 163.5 | 91% | 0.912 | 85% | 0.848 | S | S | * | * | trans | -49.8 | 163.9 | 177.6 | -66.9 | -61.6 | 0 | 0 | 0 | 115.6 | ||||
| 531 | S | 36.2 | Very low | 36.7 | Very low | 114 Ų | 114 | 162.3 Ų | 162.3 | 80% | 0.797 | 85% | 0.848 | S | S | * | * | cis | -157.2 | 175.3 | -1.3 | 41.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 532 | G | 34.6 | Very low | 36.9 | Very low | 65 Ų | 65 | 159.3 Ų | 159.3 | 67% | 0.67 | 84% | 0.843 | S | S | * | * | cis | 115.7 | 81.5 | 7.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 533 | H | 39.8 | Very low | 37.1 | Very low | 201 Ų | 201 | 162.6 Ų | 162.6 | 93% | 0.931 | 85% | 0.849 | S | S | * | * | trans | -151.7 | 164.1 | 165.2 | -124.4 | -87.6 | 0 | 0 | 0 | 113.1 | ||||
| 534 | S | 37 | Very low | 37.4 | Very low | 91 Ų | 91 | 159.5 Ų | 159.5 | 64% | 0.636 | 85% | 0.845 | S | S | * | * | trans | -136.5 | 150.5 | -160.8 | -168.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 535 | R | 45.6 | Very low | 37.6 | Very low | 226 Ų | 226 | 159 Ų | 159 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | trans | 25.8 | 121.2 | 155 | -65.4 | 171.5 | 174.2 | 179.3 | -1.3 | 119.6 | ||||
| 536 | H | 43 | Very low | 37.9 | Very low | 189 Ų | 189 | 156.5 Ų | 156.5 | 88% | 0.875 | 85% | 0.847 | S | S | * | * | -154.9 | 139.7 | 127.3 | -98.9 | 49.7 | 0 | 0 | 0 | 105.3 | |||||
| 537 | R | 45.8 | Very low | 38.4 | Very low | 233 Ų | 233 | 163.5 Ų | 163.5 | 88% | 0.879 | 86% | 0.856 | S | S | * | * | cis | 79.4 | 76.4 | 32.6 | -145.2 | -170.3 | -160.1 | -162.1 | 6.9 | 114.9 | ||||
| 538 | R | 46.6 | Very low | 39 | Very low | 326 Ų | 326 | 167.2 Ų | 167.2 | 100% | 1.23 | 86% | 0.855 | S | S | * | * | -145.5 | 0 | 126 | -108.5 | -177.7 | -176.7 | -157.6 | -0.1 | 109.8 |
Retrieved 538 of 538 residues in 288.1 ms
(Link to these results)