| 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 | 33.6 | Very low | 39.4 | Very low | 234 Ų | 234 | 137.3 Ų | 137.3 | 100% | 1.153 | 82% | 0.824 | S | S | * | * | 0 | 126.3 | 0 | -122.4 | 165 | 174.5 | 0 | 0 | 106.9 | |||||
| 2 | T | 35.6 | Very low | 39.5 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 55.3 | 142.5 | 165.6 | 45.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 3 | M | 37.3 | Very low | 39.4 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 77% | 0.768 | 82% | 0.815 | S | S | * | * | cis | -165.2 | -177.9 | -10.7 | -135.8 | -164.9 | -151.3 | 0 | 0 | 108.9 | ||||
| 4 | Y | 36.5 | Very low | 39.2 | Very low | 219 Ų | 219 | 129.4 Ų | 129.4 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | 106.8 | 123 | 160.7 | -70.1 | -79.7 | 0 | 0 | 0 | 120.3 | ||||
| 5 | A | 37.9 | Very low | 39.3 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | trans | -123.1 | -169.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 6 | P | 57.7 | Low | 39.3 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | cis | -111.9 | -138 | -7.3 | 43.8 | -26.9 | 0 | 0 | 0 | 108.6 | ||||
| 7 | P | 46.9 | Very low | 39.2 | Very low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | cis | -119.7 | -173.9 | -18.2 | 39.2 | -21 | 0 | 0 | 0 | 113 | ||||
| 8 | G | 32.2 | Very low | 39.4 | Very low | 70 Ų | 70 | 154.4 Ų | 154.4 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | cis | 175.6 | -162 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 9 | A | 34.9 | Very low | 39.4 | Very low | 95 Ų | 95 | 149.5 Ų | 149.5 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | 69.1 | 72.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | V11 | A9-V11 PolarHBondContact O-N 3.43Š| ||
| 10 | T | 39 | Very low | 39.4 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | -74.2 | 106.9 | 152.9 | 48.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | V | 42.2 | Very low | 39.7 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | trans | -91.3 | 144.7 | 174.6 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | A9 | A9-V11 PolarHBondContact O-N 3.43Š| ||
| 12 | P | 40.6 | Very low | 40.2 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -71.5 | 146.2 | -164.4 | -18.1 | 32.2 | 0 | 0 | 0 | 113.8 | S14 | P12-S14 PolarHBondContact O-N 3.23Š| ||
| 13 | G | 38.2 | Very low | 40.9 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | -59.9 | 106.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R15 | G13-R15 VanDerWaalsContact C-N 3.31Å; G13-R15 PolarHBondContact O-N 3.34Å | ||
| 14 | S | 35.4 | Very low | 41.1 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -68.8 | 89.2 | 172.1 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | P12 R16 | P12-S14 PolarHBondContact O-N 3.23Å; S14-R16 PolarHBondContact O-N 3.44Å | ||
| 15 | R | 41.2 | Very low | 41.2 | Very low | 241 Ų | 241 | 132.6 Ų | 132.6 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -56.3 | 94.9 | 156.5 | -85.7 | -175.3 | 174.6 | 173.7 | -0.6 | 106.9 | G13 R17 | G13-R15 VanDerWaalsContact C-N 3.31Å; G13-R15 PolarHBondContact O-N 3.34Å; R15-R17 PolarHBondContact O-N 3.45Å | ||
| 16 | R | 39.5 | Very low | 41.8 | Very low | 240 Ų | 240 | 135.7 Ų | 135.7 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | -58.3 | 89.3 | 158.5 | -100.2 | -174.7 | 169 | -173.6 | -1.9 | 105.8 | S14 R18 | S14-R16 PolarHBondContact O-N 3.44Å; R16-R18 PolarHBondContact O-N 3.31Å | ||
| 17 | R | 38.3 | Very low | 41.1 | Very low | 240 Ų | 240 | 134.6 Ų | 134.6 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | -62.4 | 91.6 | 165.6 | -166.2 | 179.8 | -166.9 | -174.8 | 3.4 | 103.8 | R15 G19 | R15-R17 PolarHBondContact O-N 3.45Å; R17-G19 PolarHBondContact O-N 3.37Å | ||
| 18 | R | 41.8 | Very low | 41 | Very low | 247 Ų | 247 | 136.2 Ų | 136.2 | 93% | 0.932 | 77% | 0.765 | S | S | * | * | trans | -65 | 81.4 | 171.1 | -163.3 | 177.6 | -168.2 | 177.2 | 2.4 | 104.7 | R16 G20 | R16-R18 PolarHBondContact O-N 3.31Å; R18-G20 PolarHBondContact O-N 3.33Å | ||
| 19 | G | 39.4 | Very low | 42 | Very low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | -66.8 | 79 | 166.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | R17 T21 | R17-G19 PolarHBondContact O-N 3.37Å; G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.88Å | ||
| 20 | G | 39.9 | Very low | 43.2 | Very low | 61 Ų | 61 | 137.4 Ų | 137.4 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | trans | -52.9 | 109.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 104.5 | R18 A22 | R18-G20 PolarHBondContact O-N 3.33Å; G20-A22 PolarHBondContact O-N 3.33Å | ||
| 21 | T | 46.1 | Very low | 44.4 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | -58.2 | 85.8 | 158 | 37.5 | 0 | 0 | 0 | 0 | 104.9 | G19 L23 | G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.88Å; T21-L23 PolarHBondContact O-N 3.24Å | ||
| 22 | A | 44.6 | Very low | 45.7 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | -59.3 | 98.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 105 | G20 | G20-A22 PolarHBondContact O-N 3.33Š| ||
| 23 | L | 48.3 | Very low | 47.2 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | trans | -45.9 | 114.2 | -178.1 | -170.2 | 76.9 | 0 | 0 | 0 | 106.2 | T21 K25 | T21-L23 PolarHBondContact O-N 3.24Å; L23-K25 PolarHBondContact O-N 2.76Å | ||
| 24 | P | 42.1 | Very low | 49.1 | Very low | 84 Ų | 84 | 123.6 Ų | 123.6 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | trans | -59.9 | 115.6 | -163.5 | 19.3 | -31.2 | 0 | 0 | 0 | 108.3 | Q26 | P24-Q26 PolarHBondContact O-N 2.88Å; P24-Q26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | K | 39.3 | Very low | 51.5 | Low | 176 Ų | 176 | 123.3 Ų | 123.3 | 77% | 0.765 | 62% | 0.624 | S | S | * | * | trans | -39.1 | 118.1 | -173.2 | -126.9 | 170.4 | -178.6 | 176.1 | 0 | 109 | L23 P27 | L23-K25 PolarHBondContact O-N 2.76Å; K25-P27 VanDerWaalsContact O-CD 3.28Å; K25-P27 WeakPolarHBondContact O-CD 3.19Å | ||
| 26 | Q | 50.5 | Low | 53.7 | Low | 148 Ų | 148 | 112.8 Ų | 112.8 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -63.9 | -17.9 | -173.6 | -73.7 | -156.6 | 4.1 | 0 | 0 | 117.6 | P24 E28 R29 | P24-Q26 PolarHBondContact O-N 2.88Å; P24-Q26 VanDerWaalsContact O-N 3.12Å; Q26-E28 VanDerWaalsContact C-N 3.29Å; Q26-E28 PolarHBondContact O-N 3Å; Q26-E28 VanDerWaalsContact O-N 3.17Å; Q26-R29 PolarHBondContact O-N 2.99Å |
| 27 | P | 42.7 | Very low | 56 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -72 | -11.6 | -170.9 | 27.6 | -35 | 0 | 0 | 0 | 115.9 | K25 | K25-P27 VanDerWaalsContact O-CD 3.28Å; K25-P27 WeakPolarHBondContact O-CD 3.19Å |
| 28 | E | 44.9 | Very low | 58.5 | Low | 162 Ų | 162 | 91.4 Ų | 91.4 | 76% | 0.757 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -81.5 | -14.1 | 178.9 | -64.2 | -172.9 | 159.5 | 0 | 0 | 113.6 | Q26 S30 | Q26-E28 VanDerWaalsContact C-N 3.29Å; Q26-E28 PolarHBondContact O-N 3Å; Q26-E28 VanDerWaalsContact O-N 3.17Å; E28-S30 PolarHBondContact O-N 3.41Å |
| 29 | R | 53.6 | Low | 61 | Low | 150 Ų | 150 | 84.8 Ų | 84.8 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -2.5 | -166 | -79.1 | -174.4 | 171.4 | -175 | -3.2 | 117 | Q26 R197 | Q26-R29 PolarHBondContact O-N 2.99Å; R29-R197 PolarHBondContact O-NE 3.28Å; R29-R197 PolarHBondContact O-NH1 2.03Å; R29-R197 PolarHBondContact O-NH2 2.85Å |
| 30 | S | 59.4 | Low | 63.6 | Low | 40 Ų | 40 | 81.9 Ų | 81.9 | 28% | 0.28 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -46.5 | 174.4 | -173.5 | 0 | 0 | 0 | 0 | 113.2 | E28 A32 S33 A34 D114 R197 | E28-S30 PolarHBondContact O-N 3.41Å; S30-A32 VanDerWaalsContact C-N 3.34Å; S30-A32 PolarHBondContact O-N 2.86Å; S30-S33 PolarHBondContact O-N 3.26Å; S30-S33 PolarHBondContact O-OG 2.71Å; S30-A34 PolarHBondContact O-N 2.79Å; S30-D114 PolarHBondContact OG-O 2.71Å; S30-R197 VanDerWaalsContact C-NH2 3.28Å; S30-R197 PolarHBondContact O-NH2 3.04Å |
| 31 | L | 64.3 | Low | 66.2 | Low | 105 Ų | 105 | 79.9 Ų | 79.9 | 55% | 0.55 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -49.7 | -42.5 | -169.8 | -65.6 | 175.3 | 0 | 0 | 0 | 115.7 | S33 A34 L35 | L31-S33 VanDerWaalsContact C-N 3.28Å; L31-S33 PolarHBondContact O-N 2.8Å; L31-A34 PolarHBondContact O-N 2.74Å; L31-L35 HydrophobicContact CB-CD1 4.31Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.37Å; L31-L35 PolarHBondContact O-N 3.09Å |
| 32 | A | 70 | Confident | 68.5 | Low | 59 Ų | 59 | 77.1 Ų | 77.1 | 49% | 0.488 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -22.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S30 P36 A193 | S30-A32 VanDerWaalsContact C-N 3.34Å; S30-A32 PolarHBondContact O-N 2.86Å; A32-P36 WeakPolarHBondContact O-CD 3.41Å; A32-A193 WeakPolarHBondContact O-CB 3.5Å |
| 33 | S | 70.9 | Confident | 71 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -103.8 | -33.9 | 171 | 68 | 0 | 0 | 0 | 0 | 112.5 | S30 L31 L35 P36 G37 N194 R197 | S30-S33 PolarHBondContact O-N 3.26Å; S30-S33 PolarHBondContact O-OG 2.71Å; L31-S33 VanDerWaalsContact C-N 3.28Å; L31-S33 PolarHBondContact O-N 2.8Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 3.01Å; S33-P36 WeakPolarHBondContact O-CD 3.28Å; S33-G37 PolarHBondContact O-N 2.99Å; S33-G37 VanDerWaalsContact O-N 3.1Å; S33-N194 WeakPolarHBondContact CB-OD1 3.49Å; S33-N194 PolarHBondContact OG-OD1 2.98Å; S33-R197 VanDerWaalsContact CB-NH1 3.35Å; S33-R197 PolarHBondContact OG-NH1 3.27Å |
| 34 | A | 78.4 | Confident | 73.2 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S30 L31 G37 A38 F111 V115 | S30-A34 PolarHBondContact O-N 2.79Å; L31-A34 PolarHBondContact O-N 2.74Å; A34-G37 PolarHBondContact O-N 3.49Å; A34-A38 VanDerWaalsContact O-CB 3.29Å; A34-A38 WeakPolarHBondContact O-CB 3.5Å; A34-A38 PolarHBondContact O-N 2.9Å; A34-F111 HydrophobicContact CB-CD2 4.4Å; A34-F111 HydrophobicContact CB-CE2 3.96Å; A34-F111 WeakPolarHBondContact O-CE2 3.39Å; A34-V115 HydrophobicContact CB-CG2 4.35Å |
| 35 | L | 86.9 | Confident | 75.7 | Confident | 105 Ų | 105 | 66 Ų | 66 | 55% | 0.55 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.5 | -52.5 | 179.9 | -71.8 | 170.3 | 0 | 0 | 0 | 112.8 | L31 S33 G37 A38 L39 | L31-L35 HydrophobicContact CB-CD1 4.31Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.37Å; L31-L35 PolarHBondContact O-N 3.09Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 3.01Å; L35-G37 VanDerWaalsContact C-N 3.31Å; L35-G37 PolarHBondContact O-N 3.48Å; L35-A38 PolarHBondContact O-N 2.69Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 2.77Å |
| 36 | P | 86.8 | Confident | 78.4 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 13% | 0.13 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 173.2 | -22.7 | 32.9 | 0 | 0 | 0 | 113.4 | A32 S33 L39 S40 A186 L189 A190 | A32-P36 WeakPolarHBondContact O-CD 3.41Å; S33-P36 WeakPolarHBondContact O-CD 3.28Å; P36-L39 PolarHBondContact O-N 2.94Å; P36-S40 PolarHBondContact O-N 3.06Å; P36-A186 WeakPolarHBondContact CB-O 3.27Å; P36-A186 WeakPolarHBondContact O-CB 3.44Å; P36-L189 HydrophobicContact CB-CB 3.99Å; P36-L189 HydrophobicContact CG-CB 4.19Å; P36-A190 HydrophobicContact CB-CB 4.06Å |
| 37 | G | 87.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S33 A34 L35 S40 I41 | S33-G37 PolarHBondContact O-N 2.99Å; S33-G37 VanDerWaalsContact O-N 3.1Å; A34-G37 PolarHBondContact O-N 3.49Å; L35-G37 VanDerWaalsContact C-N 3.31Å; L35-G37 PolarHBondContact O-N 3.48Å; G37-S40 WeakPolarHBondContact O-CB 3.45Å; G37-S40 PolarHBondContact O-N 3.24Å; G37-I41 WeakPolarHBondContact O-CG1 3.41Å; G37-I41 PolarHBondContact O-N 3.05Å; G37-I41 VanDerWaalsContact O-N 3.08Å |
| 38 | A | 91.3 | Very high | 82.8 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A34 L35 S40 I41 T42 F111 | A34-A38 VanDerWaalsContact O-CB 3.29Å; A34-A38 WeakPolarHBondContact O-CB 3.5Å; A34-A38 PolarHBondContact O-N 2.9Å; L35-A38 PolarHBondContact O-N 2.69Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.45Å; A38-I41 PolarHBondContact O-N 3.18Å; A38-T42 VanDerWaalsContact O-CG2 3.32Å; A38-T42 WeakPolarHBondContact O-CG2 3.19Å; A38-T42 PolarHBondContact O-N 2.75Å; A38-T42 PolarHBondContact O-OG1 2.91Å; A38-F111 HydrophobicContact CB-CD2 4.27Å; A38-F111 HydrophobicContact CB-CE2 3.84Å; A38-F111 HydrophobicContact CB-CZ 4.49Å |
| 39 | L | 93.4 | Very high | 85 | Confident | 109 Ų | 109 | 45.9 Ų | 45.9 | 57% | 0.571 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.6 | -44.6 | 174.9 | -73.1 | 171.4 | 0 | 0 | 0 | 111.3 | L35 P36 I41 T42 A43 A186 | L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 2.77Å; P36-L39 PolarHBondContact O-N 2.94Å; L39-I41 PolarHBondContact O-N 2.86Å; L39-T42 WeakPolarHBondContact CA-OG1 3.45Å; L39-T42 PolarHBondContact O-N 2.91Å; L39-T42 PolarHBondContact O-OG1 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.44Å; L39-A43 PolarHBondContact O-N 2.72Å; L39-A186 HydrophobicContact CB-CB 4.33Å |
| 40 | S | 94.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | P36 G37 A38 T42 A43 L44 A183 S187 | P36-S40 PolarHBondContact O-N 3.06Å; G37-S40 WeakPolarHBondContact O-CB 3.45Å; G37-S40 PolarHBondContact O-N 3.24Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.45Å; S40-T42 PolarHBondContact O-N 3.12Å; S40-A43 PolarHBondContact O-N 2.89Å; S40-L44 WeakPolarHBondContact O-CG 3.3Å; S40-L44 PolarHBondContact O-N 2.99Å; S40-A183 PolarHBondContact OG-O 2.88Å; S40-S187 WeakPolarHBondContact CB-OG 3.28Å; S40-S187 PolarHBondContact OG-OG 3.4Å |
| 41 | I | 94.3 | Very high | 87.9 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.4 | -50.3 | 175.8 | -64 | 158.2 | 0 | 0 | 0 | 110.7 | G37 A38 L39 A43 L44 C45 S107 L108 F111 | G37-I41 WeakPolarHBondContact O-CG1 3.41Å; G37-I41 PolarHBondContact O-N 3.05Å; G37-I41 VanDerWaalsContact O-N 3.08Å; A38-I41 PolarHBondContact O-N 3.18Å; L39-I41 PolarHBondContact O-N 2.86Å; I41-A43 VanDerWaalsContact C-N 3.35Å; I41-A43 PolarHBondContact O-N 3.38Å; I41-L44 PolarHBondContact O-N 2.69Å; I41-C45 PolarHBondContact O-N 3.32Å; I41-C45 PolarHBondContact O-SG 2.88Å; I41-C45 VanDerWaalsContact O-SG 3.32Å; I41-S107 VanDerWaalsContact CG1-CB 3.44Å; I41-L108 HydrophobicContact CD1-CD2 4.06Å; I41-L108 HydrophobicContact CD1-CG 4.42Å; I41-L108 HydrophobicContact CG2-CD2 4.09Å; I41-L108 HydrophobicContact CG2-CG 4.32Å; I41-F111 HydrophobicContact CD1-CB 3.63Å; I41-F111 HydrophobicContact CD1-CD1 4.44Å; I41-F111 HydrophobicContact CD1-CG 3.97Å |
| 42 | T | 95.6 | Very high | 89.1 | Confident | 77 Ų | 77 | 38.1 Ų | 38.1 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.4 | -41.9 | -178.1 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | A38 L39 S40 C45 T46 | A38-T42 VanDerWaalsContact O-CG2 3.32Å; A38-T42 WeakPolarHBondContact O-CG2 3.19Å; A38-T42 PolarHBondContact O-N 2.75Å; A38-T42 PolarHBondContact O-OG1 2.91Å; L39-T42 WeakPolarHBondContact CA-OG1 3.45Å; L39-T42 PolarHBondContact O-N 2.91Å; L39-T42 PolarHBondContact O-OG1 3.25Å; S40-T42 PolarHBondContact O-N 3.12Å; T42-C45 PolarHBondContact O-N 3.17Å; T42-T46 PolarHBondContact O-N 2.94Å; T42-T46 PolarHBondContact O-OG1 3.04Å |
| 43 | A | 95.9 | Very high | 90.2 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L39 S40 I41 T46 A47 L179 A183 | L39-A43 WeakPolarHBondContact O-CB 3.44Å; L39-A43 PolarHBondContact O-N 2.72Å; S40-A43 PolarHBondContact O-N 2.89Å; I41-A43 VanDerWaalsContact C-N 3.35Å; I41-A43 PolarHBondContact O-N 3.38Å; A43-T46 PolarHBondContact O-N 2.9Å; A43-A47 WeakPolarHBondContact O-CB 3.16Å; A43-A47 PolarHBondContact O-N 3.47Å; A43-L179 HydrophobicContact CB-CD2 4.37Å; A43-A183 HydrophobicContact CB-CB 3.96Å |
| 44 | L | 95.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 173.5 | -69.2 | 173.4 | 0 | 0 | 0 | 112.3 | S40 I41 A47 L48 I104 T136 V180 A183 | S40-L44 WeakPolarHBondContact O-CG 3.3Å; S40-L44 PolarHBondContact O-N 2.99Å; I41-L44 PolarHBondContact O-N 2.69Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-L48 PolarHBondContact O-N 3.41Å; L44-L48 VanDerWaalsContact O-N 3.15Å; L44-I104 HydrophobicContact CB-CD1 4.09Å; L44-I104 HydrophobicContact CB-CG1 3.56Å; L44-I104 HydrophobicContact CD1-CG1 4.22Å; L44-T136 HydrophobicContact CD1-CG2 4.39Å; L44-V180 HydrophobicContact CD2-CG2 4.28Å; L44-A183 HydrophobicContact CD2-CB 3.85Å; L44-A183 HydrophobicContact CG-CB 3.72Å |
| 45 | C | 95.1 | Very high | 91.9 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 175 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | I41 T42 L48 A49 | I41-C45 PolarHBondContact O-N 3.32Å; I41-C45 PolarHBondContact O-SG 2.88Å; I41-C45 VanDerWaalsContact O-SG 3.32Å; T42-C45 PolarHBondContact O-N 3.17Å; C45-L48 PolarHBondContact O-N 3.37Å; C45-A49 PolarHBondContact O-N 3.32Å; C45-A49 VanDerWaalsContact O-N 3.09Å |
| 46 | T | 94.9 | Very high | 92.1 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | T42 A43 L48 A49 E50 L179 | T42-T46 PolarHBondContact O-N 2.94Å; T42-T46 PolarHBondContact O-OG1 3.04Å; A43-T46 PolarHBondContact O-N 2.9Å; T46-L48 VanDerWaalsContact C-N 3.3Å; T46-L48 PolarHBondContact O-N 3.35Å; T46-A49 PolarHBondContact O-N 3.2Å; T46-E50 HydrophobicContact CG2-CG 4.16Å; T46-E50 WeakPolarHBondContact O-CB 3.31Å; T46-E50 WeakPolarHBondContact O-CG 3.38Å; T46-E50 PolarHBondContact O-N 2.95Å; T46-L179 HydrophobicContact CG2-CD1 3.61Å |
| 47 | A | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A43 L44 W53 S176 L179 V180 | A43-A47 WeakPolarHBondContact O-CB 3.16Å; A43-A47 PolarHBondContact O-N 3.47Å; L44-A47 PolarHBondContact O-N 3.33Å; A47-W53 HydrophobicContact CB-CH2 4.34Å; A47-W53 HydrophobicContact CB-CZ2 4.09Å; A47-W53 WeakPolarHBondContact O-CZ2 3.4Å; A47-W53 PolarHBondContact O-NE1 3.25Å; A47-S176 WeakPolarHBondContact O-CB 3.43Å; A47-S176 PolarHBondContact O-OG 2.94Å; A47-L179 HydrophobicContact CB-CB 3.89Å; A47-L179 HydrophobicContact CB-CD1 4.46Å; A47-V180 HydrophobicContact CB-CG2 3.86Å |
| 48 | L | 91.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -34.3 | 175.6 | -80.8 | -179.9 | 0 | 0 | 0 | 113.6 | L44 C45 T46 W53 V68 A97 C100 F101 I104 | L44-L48 PolarHBondContact O-N 3.41Å; L44-L48 VanDerWaalsContact O-N 3.15Å; C45-L48 PolarHBondContact O-N 3.37Å; T46-L48 VanDerWaalsContact C-N 3.3Å; T46-L48 PolarHBondContact O-N 3.35Å; L48-W53 HydrophobicContact CD2-CZ2 4.44Å; L48-V68 HydrophobicContact CD2-CG1 3.97Å; L48-V68 HydrophobicContact CD2-CG2 4.43Å; L48-A97 HydrophobicContact CD2-CB 4.31Å; L48-C100 HydrophobicContact CD1-CB 3.91Å; L48-C100 HydrophobicContact CD2-CB 3.65Å; L48-C100 HydrophobicContact CG-CB 3.75Å; L48-F101 HydrophobicContact CD1-CD1 3.7Å; L48-F101 HydrophobicContact CD1-CD2 4.29Å; L48-F101 HydrophobicContact CD1-CE1 3.65Å; L48-F101 HydrophobicContact CD1-CE2 4.24Å; L48-F101 HydrophobicContact CD1-CG 4.02Å; L48-F101 HydrophobicContact CD1-CZ 3.92Å; L48-I104 HydrophobicContact CD1-CD1 3.51Å |
| 49 | A | 91.8 | Very high | 91.6 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 65% | 0.645 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -74.1 | -34.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C45 T46 | C45-A49 PolarHBondContact O-N 3.32Å; C45-A49 VanDerWaalsContact O-N 3.09Å; T46-A49 PolarHBondContact O-N 3.2Å |
| 50 | E | 89.6 | Confident | 91 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 38% | 0.379 | 22% | 0.217 | S | C | . | . | trans | -75.8 | 125.7 | -179.5 | -79.3 | -65.9 | 159.6 | 0 | 0 | 112.2 | T46 A52 W53 I175 S176 | T46-E50 HydrophobicContact CG2-CG 4.16Å; T46-E50 WeakPolarHBondContact O-CB 3.31Å; T46-E50 WeakPolarHBondContact O-CG 3.38Å; T46-E50 PolarHBondContact O-N 2.95Å; E50-A52 PolarHBondContact O-N 2.99Å; E50-W53 VanDerWaalsContact O-CD1 3.24Å; E50-W53 PolarHBondContact O-NE1 3.31Å; E50-W53 VanDerWaalsContact O-NE1 3.13Å; E50-I175 HydrophobicContact CB-CG2 4.09Å; E50-I175 HydrophobicContact CG-CG2 4.03Å; E50-S176 WeakPolarHBondContact CB-OG 3.48Å; E50-S176 PolarHBondContact O-OG 2.75Å | ||
| 51 | P | 83 | Confident | 90.6 | Very high | 45 Ų | 45 | 35.4 Ų | 35.4 | 29% | 0.292 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -72.5 | -16.1 | 175.9 | 31.3 | -35.8 | 0 | 0 | 0 | 112.7 | W53 L66 G67 A69 | P51-W53 PolarHBondContact O-N 3.21Å; P51-W53 VanDerWaalsContact O-N 3.07Å; P51-L66 CarbonylContact O-C 3.18Å; P51-G67 VanDerWaalsContact O-CA 3.26Å; P51-G67 WeakPolarHBondContact O-CA 3.32Å; P51-G67 PolarHBondContact O-N 2.93Å; P51-G67 VanDerWaalsContact O-N 3.17Å; P51-A69 HydrophobicContact CB-CB 4.16Å |
| 52 | A | 90.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | trans | -86.5 | 76.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E50 E65 A174 I175 S176 | E50-A52 PolarHBondContact O-N 2.99Å; A52-E65 HydrophobicContact CB-CB 4.45Å; A52-A174 HydrophobicContact CB-CB 4.01Å; A52-A174 CarbonylContact O-C 3.31Å; A52-A174 VanDerWaalsContact O-C 3.31Å; A52-A174 WeakPolarHBondContact O-CB 3.25Å; A52-I175 HydrophobicContact CB-CG2 4.15Å; A52-I175 PolarHBondContact O-N 3.36Å; A52-I175 VanDerWaalsContact O-N 3.07Å; A52-S176 PolarHBondContact O-N 3.05Å; A52-S176 VanDerWaalsContact O-N 3.08Å; A52-S176 PolarHBondContact O-OG 3.37Å | ||
| 53 | W | 92.7 | Very high | 89.3 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -89.9 | -47.8 | 172.9 | -73.4 | 65.1 | 0 | 0 | 0 | 112.2 | A47 L48 E50 P51 L66 V68 I96 V143 A174 S176 V180 | A47-W53 HydrophobicContact CB-CH2 4.34Å; A47-W53 HydrophobicContact CB-CZ2 4.09Å; A47-W53 WeakPolarHBondContact O-CZ2 3.4Å; A47-W53 PolarHBondContact O-NE1 3.25Å; L48-W53 HydrophobicContact CD2-CZ2 4.44Å; E50-W53 VanDerWaalsContact O-CD1 3.24Å; E50-W53 PolarHBondContact O-NE1 3.31Å; E50-W53 VanDerWaalsContact O-NE1 3.13Å; P51-W53 PolarHBondContact O-N 3.21Å; P51-W53 VanDerWaalsContact O-N 3.07Å; W53-L66 WeakPolarHBondContact CB-O 3.46Å; W53-L66 PolarHBondContact N-O 3.45Å; W53-V68 HydrophobicContact CD2-CG2 4.07Å; W53-V68 VanDerWaalsContact CE2-CG2 3.48Å; W53-V68 HydrophobicContact CH2-CG2 4.41Å; W53-V68 HydrophobicContact CZ2-CG2 3.68Å; W53-I96 HydrophobicContact CE3-CG2 4.04Å; W53-I96 HydrophobicContact CH2-CG2 3.74Å; W53-I96 HydrophobicContact CZ3-CG2 3.45Å; W53-I96 VanDerWaalsContact CZ3-CG2 3.45Å; W53-V143 HydrophobicContact CZ3-CG1 4.1Å; W53-A174 PolarHBondContact O-N 2.87Å; W53-S176 VanDerWaalsContact CD1-CB 3.48Å; W53-S176 PolarHBondContact NE1-OG 3.37Å; W53-V180 HydrophobicContact CH2-CG2 3.82Å; W53-V180 HydrophobicContact CZ3-CG2 4.07Å |
| 54 | V | 93 | Very high | 88.9 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.2 | -177.5 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | E65 L66 I154 V171 | V54-E65 WeakPolarHBondContact O-CA 3.4Å; V54-L66 PolarHBondContact N-O 2.89Å; V54-L66 PolarHBondContact O-N 3.17Å; V54-I154 HydrophobicContact CG1-CD1 4.14Å; V54-V171 HydrophobicContact CG1-CG1 3.19Å |
| 55 | R | 92.6 | Very high | 88.6 | Confident | 88 Ų | 88 | 48.9 Ų | 48.9 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.9 | 175.5 | -172.4 | -176.5 | -62.8 | 136.6 | -4.1 | 110.6 | Q64 E65 T172 A174 | R55-Q64 CarbonylContact C-O 3.46Å; R55-Q64 WeakPolarHBondContact CA-O 3.16Å; R55-Q64 WeakPolarHBondContact CG-O 3.37Å; R55-E65 HydrophobicContact CB-CG 4.42Å; R55-E65 HydrophobicContact CG-CG 4.11Å; R55-E65 IonicContact CZ-OE1 2.66Å; R55-E65 IonicContact NE-OE1 3.16Å; R55-E65 PolarHBondContact NE-OE1 3.4Å; R55-E65 IonicContact NH2-OE1 2.65Å; R55-E65 PolarHBondContact NH2-OE1 3.15Å; R55-T172 PolarHBondContact N-O 3.06Å; R55-T172 PolarHBondContact O-N 3.5Å; R55-T172 PolarHBondContact O-OG1 3.21Å; R55-A174 HydrophobicContact CB-CB 4.38Å |
| 56 | V | 90.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.3 | 179.4 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | Q64 L66 I154 Q158 V171 | V56-Q64 PolarHBondContact N-O 3.05Å; V56-L66 HydrophobicContact CG2-CD1 3.87Å; V56-I154 HydrophobicContact CG2-CG2 3.65Å; V56-Q158 HydrophobicContact CG1-CG 4.44Å; V56-V171 HydrophobicContact CG2-CG2 4.43Å |
| 57 | H | 89.1 | Confident | 88 | Confident | 48 Ų | 48 | 43.1 Ų | 43.1 | 22% | 0.222 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.1 | 178 | -60.3 | -93.1 | 0 | 0 | 0 | 110.4 | I169 Y170 T172 | H57-I169 WeakPolarHBondContact O-CA 3.32Å; H57-Y170 HydrophobicContact CB-CD1 3.85Å; H57-Y170 HydrophobicContact CB-CD2 4.17Å; H57-Y170 HydrophobicContact CB-CE1 3.45Å; H57-Y170 VanDerWaalsContact CB-CE1 3.45Å; H57-Y170 HydrophobicContact CB-CE2 3.79Å; H57-Y170 HydrophobicContact CB-CG 4.19Å; H57-Y170 VanDerWaalsContact CB-CZ 3.4Å; H57-Y170 AromaticContact CD2-CD2 3.76Å; H57-Y170 AromaticContact CD2-CE2 3.31Å; H57-Y170 WeakPolarHBondContact CD2-CE2 3.46Å; H57-Y170 AromaticContact CD2-CZ 3.78Å; H57-Y170 AromaticContact CG-CE2 3.5Å; H57-Y170 AromaticContact CG-CZ 3.44Å; H57-Y170 VanDerWaalsContact CG-CZ 3.44Å; H57-Y170 PolarHBondContact N-O 3.45Å; H57-Y170 AromaticContact ND1-CZ 3.95Å; H57-Y170 AromaticContact NE2-CE2 3.89Å; H57-Y170 PolarHBondContact O-N 2.94Å; H57-T172 PolarHBondContact CD2-OG1 3.25Å; H57-T172 PolarHBondContact NE2-OG1 3.47Å |
| 58 | G | 84.4 | Confident | 87.6 | Confident | 53 Ų | 53 | 43.1 Ų | 43.1 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 77.4 | -158.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 59 | G | 80.8 | Confident | 87.3 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 19% | 0.186 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 81.8 | -159.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q158 | G59-Q158 VanDerWaalsContact CA-OE1 3.24Š|
| 60 | T | 81.4 | Confident | 87 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 22% | 0.221 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -94.3 | -21.4 | 176.8 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | D82 Q158 H161 K163 | T60-D82 WeakPolarHBondContact CB-O 3.37Å; T60-D82 PolarHBondContact OG1-O 3.4Å; T60-Q158 PolarHBondContact OG1-NE2 3.25Å; T60-Q158 PolarHBondContact OG1-OE1 2.99Å; T60-H161 WeakPolarHBondContact CG2-O 3.2Å; T60-K163 HydrophobicContact CG2-CB 3.83Å; T60-K163 HydrophobicContact CG2-CG 4.34Å |
| 61 | C | 84.8 | Confident | 86.8 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | trans | -64.9 | 124.9 | -166.1 | -173 | 0 | 0 | 0 | 0 | 113 | R63 C84 | C61-R63 VanDerWaalsContact C-N 3.26Å; C61-R63 PolarHBondContact O-N 2.87Å; C61-R63 PolarHBondContact SG-O 3.48Å; C61-C84 WeakPolarHBondContact CA-SG 3.29Å; C61-C84 HydrophobicContact CB-CB 3.97Å; C61-C84 WeakPolarHBondContact CB-SG 3.42Å; C61-C84 WeakPolarHBondContact SG-CB 3.38Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 3.01Å | ||
| 62 | P | 81.2 | Confident | 86.8 | Confident | 84 Ų | 84 | 39.9 Ų | 39.9 | 55% | 0.545 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -69.5 | -21.1 | 178.2 | 27.9 | -38.4 | 0 | 0 | 0 | 113.6 | D82 | P62-D82 VanDerWaalsContact CD-OD2 3.28Å; P62-D82 WeakPolarHBondContact CD-OD2 3.08Å; P62-D82 HydrophobicContact CG-CB 4.43Å; P62-D82 WeakPolarHBondContact CG-OD2 3.28Å |
| 63 | R | 83.3 | Confident | 86.3 | Confident | 113 Ų | 113 | 41.9 Ų | 41.9 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | trans | -109.8 | 115.2 | -176.2 | -153.7 | 179.3 | -171.7 | 162.2 | -6.2 | 110.4 | C61 E65 L66 D70 L79 | C61-R63 VanDerWaalsContact C-N 3.26Å; C61-R63 PolarHBondContact O-N 2.87Å; C61-R63 PolarHBondContact SG-O 3.48Å; R63-E65 VanDerWaalsContact C-N 3.34Å; R63-E65 WeakPolarHBondContact CD-O 3.49Å; R63-E65 WeakPolarHBondContact CG-O 3.23Å; R63-L66 HydrophobicContact CB-CD2 4.42Å; R63-D70 IonicContact CZ-OD1 3.12Å; R63-D70 IonicContact NE-OD1 3.79Å; R63-D70 IonicContact NH1-OD1 3.98Å; R63-D70 PolarHBondContact NH1-OD1 2.85Å; R63-D70 IonicContact NH2-OD1 3.56Å; R63-L79 HydrophobicContact CB-CD1 4.37Å | ||
| 64 | Q | 86.1 | Confident | 85.8 | Confident | 134 Ų | 134 | 50.5 Ų | 50.5 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -74 | -25.6 | -177.7 | -68.7 | -179.5 | -0.4 | 0 | 0 | 113.1 | R55 V56 | R55-Q64 CarbonylContact C-O 3.46Å; R55-Q64 WeakPolarHBondContact CA-O 3.16Å; R55-Q64 WeakPolarHBondContact CG-O 3.37Å; V56-Q64 PolarHBondContact N-O 3.05Å |
| 65 | E | 89.9 | Confident | 85.4 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.4 | -179.2 | -60.1 | -170.4 | 150.9 | 0 | 0 | 110.1 | A52 V54 R55 R63 | A52-E65 HydrophobicContact CB-CB 4.45Å; V54-E65 WeakPolarHBondContact O-CA 3.4Å; R55-E65 HydrophobicContact CB-CG 4.42Å; R55-E65 HydrophobicContact CG-CG 4.11Å; R55-E65 IonicContact CZ-OE1 2.66Å; R55-E65 IonicContact NE-OE1 3.16Å; R55-E65 PolarHBondContact NE-OE1 3.4Å; R55-E65 IonicContact NH2-OE1 2.65Å; R55-E65 PolarHBondContact NH2-OE1 3.15Å; R63-E65 VanDerWaalsContact C-N 3.34Å; R63-E65 WeakPolarHBondContact CD-O 3.49Å; R63-E65 WeakPolarHBondContact CG-O 3.23Å |
| 66 | L | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.5 | -176.6 | -60.2 | 172.7 | 0 | 0 | 0 | 109.2 | P51 W53 V54 V56 R63 L79 M85 I154 | P51-L66 CarbonylContact O-C 3.18Å; W53-L66 WeakPolarHBondContact CB-O 3.46Å; W53-L66 PolarHBondContact N-O 3.45Å; V54-L66 PolarHBondContact N-O 2.89Å; V54-L66 PolarHBondContact O-N 3.17Å; V56-L66 HydrophobicContact CG2-CD1 3.87Å; R63-L66 HydrophobicContact CB-CD2 4.42Å; L66-L79 HydrophobicContact CD2-CD2 3.84Å; L66-L79 HydrophobicContact CD2-CG 4.26Å; L66-M85 HydrophobicContact CD1-CG 4.08Å; L66-M85 HydrophobicContact CD1-SD 4.36Å; L66-M85 HydrophobicContact CD2-SD 4.13Å; L66-I154 HydrophobicContact CD1-CD1 4.23Å |
| 67 | G | 87.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | trans | -171.9 | -158.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P51 A69 D70 | P51-G67 VanDerWaalsContact O-CA 3.26Å; P51-G67 WeakPolarHBondContact O-CA 3.32Å; P51-G67 PolarHBondContact O-N 2.93Å; P51-G67 VanDerWaalsContact O-N 3.17Å; G67-A69 VanDerWaalsContact C-N 3.31Å; G67-A69 PolarHBondContact O-N 2.83Å; G67-D70 PolarHBondContact N-OD2 3.33Å; G67-D70 PolarHBondContact O-N 3.41Å | ||
| 68 | V | 87 | Confident | 84.4 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -34.8 | -170.2 | 169.1 | 0 | 0 | 0 | 0 | 112.9 | L48 W53 D70 V71 L72 I93 I96 A97 | L48-V68 HydrophobicContact CD2-CG1 3.97Å; L48-V68 HydrophobicContact CD2-CG2 4.43Å; W53-V68 HydrophobicContact CD2-CG2 4.07Å; W53-V68 VanDerWaalsContact CE2-CG2 3.48Å; W53-V68 HydrophobicContact CH2-CG2 4.41Å; W53-V68 HydrophobicContact CZ2-CG2 3.68Å; V68-D70 VanDerWaalsContact C-N 3.25Å; V68-D70 PolarHBondContact O-N 2.98Å; V68-V71 WeakPolarHBondContact O-CG2 3.29Å; V68-V71 PolarHBondContact O-N 3.21Å; V68-L72 HydrophobicContact CG1-CD1 3.39Å; V68-L72 HydrophobicContact CG1-CG 3.81Å; V68-L72 PolarHBondContact O-N 3.23Å; V68-L72 VanDerWaalsContact O-N 3.13Å; V68-I93 HydrophobicContact CB-CG2 4.46Å; V68-I93 HydrophobicContact CG2-CG2 3.85Å; V68-I96 HydrophobicContact CG2-CG2 4.44Å; V68-A97 HydrophobicContact CB-CB 4.49Å; V68-A97 HydrophobicContact CG1-CB 3.56Å; V68-A97 HydrophobicContact CG2-CB 4.08Å |
| 69 | A | 85.4 | Confident | 84.5 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.6 | -35.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | P51 G67 V71 G73 | P51-A69 HydrophobicContact CB-CB 4.16Å; G67-A69 VanDerWaalsContact C-N 3.31Å; G67-A69 PolarHBondContact O-N 2.83Å; A69-V71 VanDerWaalsContact C-N 3.26Å; A69-V71 PolarHBondContact O-N 3.28Å; A69-G73 PolarHBondContact O-N 2.94Å |
| 70 | D | 84.4 | Confident | 84.7 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73.3 | -15.3 | -176.9 | -56.8 | -62.7 | 0 | 0 | 0 | 113.8 | R63 G67 V68 L79 | R63-D70 IonicContact CZ-OD1 3.12Å; R63-D70 IonicContact NE-OD1 3.79Å; R63-D70 IonicContact NH1-OD1 3.98Å; R63-D70 PolarHBondContact NH1-OD1 2.85Å; R63-D70 IonicContact NH2-OD1 3.56Å; G67-D70 PolarHBondContact N-OD2 3.33Å; G67-D70 PolarHBondContact O-N 3.41Å; V68-D70 VanDerWaalsContact C-N 3.25Å; V68-D70 PolarHBondContact O-N 2.98Å; D70-L79 HydrophobicContact CB-CD2 4.2Å |
| 71 | V | 86.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -118.4 | -19 | -175.2 | -59.2 | 0 | 0 | 0 | 0 | 114.7 | V68 A69 M85 I90 I93 R94 | V68-V71 WeakPolarHBondContact O-CG2 3.29Å; V68-V71 PolarHBondContact O-N 3.21Å; A69-V71 VanDerWaalsContact C-N 3.26Å; A69-V71 PolarHBondContact O-N 3.28Å; V71-M85 HydrophobicContact CG1-CE 3.71Å; V71-I90 HydrophobicContact CB-CG2 4.2Å; V71-I90 HydrophobicContact CG1-CB 4.3Å; V71-I90 HydrophobicContact CG1-CG1 4.24Å; V71-I90 HydrophobicContact CG1-CG2 3.99Å; V71-I93 HydrophobicContact CG1-CB 4.36Å; V71-I93 HydrophobicContact CG1-CG2 4.41Å; V71-I93 HydrophobicContact CG2-CB 3.92Å; V71-I93 HydrophobicContact CG2-CG2 3.48Å; V71-I93 VanDerWaalsContact CG2-CG2 3.48Å; V71-R94 HydrophobicContact CB-CG 4.06Å; V71-R94 HydrophobicContact CG2-CG 3.89Å; V71-R94 VanDerWaalsContact O-CZ 3.32Å; V71-R94 PolarHBondContact O-NE 3.47Å; V71-R94 PolarHBondContact O-NH2 3.32Å |
| 72 | L | 83.9 | Confident | 84.9 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -84 | -30.5 | 172.4 | -68.6 | -176 | 0 | 0 | 0 | 112.7 | V68 A97 F101 | V68-L72 HydrophobicContact CG1-CD1 3.39Å; V68-L72 HydrophobicContact CG1-CG 3.81Å; V68-L72 PolarHBondContact O-N 3.23Å; V68-L72 VanDerWaalsContact O-N 3.13Å; L72-A97 HydrophobicContact CD1-CB 4.25Å; L72-A97 HydrophobicContact CD2-CB 4.21Å; L72-A97 HydrophobicContact CG-CB 4.43Å; L72-F101 HydrophobicContact CD1-CE2 4.15Å |
| 73 | G | 79.5 | Confident | 85.1 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -93.5 | -148.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A69 I75 | A69-G73 PolarHBondContact O-N 2.94Å; G73-I75 PolarHBondContact O-N 2.86Å |
| 74 | Y | 81.8 | Confident | 85.2 | Confident | 188 Ų | 188 | 59.9 Ų | 59.9 | 74% | 0.737 | 30% | 0.302 | S | S | * | . | trans | -69.2 | 118.8 | 168.6 | 177.8 | -99.7 | 0 | 0 | 0 | 109.8 | D76 P77 | Y74-D76 PolarHBondContact O-N 3.32Å; Y74-P77 WeakPolarHBondContact OH-CD 3.44Å | ||
| 75 | I | 83.9 | Confident | 85.4 | Confident | 42 Ų | 42 | 53.8 Ų | 53.8 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | trans | -76.9 | 113.6 | 172.1 | -57.4 | 171.1 | 0 | 0 | 0 | 107.1 | G73 P77 M80 I90 | G73-I75 PolarHBondContact O-N 2.86Å; I75-P77 WeakPolarHBondContact O-CD 3.4Å; I75-M80 HydrophobicContact CG2-CE 3.96Å; I75-I90 HydrophobicContact CD1-CD1 4.43Å; I75-I90 HydrophobicContact CD1-CG2 4.05Å; I75-I90 HydrophobicContact CG2-CD1 4.49Å | ||
| 76 | D | 83.6 | Confident | 85.4 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | trans | -61.8 | 120.9 | 173 | -172.7 | -23.2 | 0 | 0 | 0 | 108.9 | Y74 K78 L79 | Y74-D76 PolarHBondContact O-N 3.32Å; D76-K78 PolarHBondContact O-N 2.84Å; D76-K78 VanDerWaalsContact O-N 3.08Å; D76-K78 VanDerWaalsContact OD1-CB 3.31Å; D76-K78 WeakPolarHBondContact OD1-CB 3.09Å; D76-K78 WeakPolarHBondContact OD1-CG 3.38Å; D76-K78 PolarHBondContact OD1-N 3.48Å; D76-L79 HydrophobicContact CB-CD1 4.42Å; D76-L79 WeakPolarHBondContact O-CB 3.38Å; D76-L79 PolarHBondContact O-N 3.03Å | ||
| 77 | P | 84.4 | Confident | 85.5 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.9 | 179.8 | 22 | -33.6 | 0 | 0 | 0 | 112.5 | Y74 I75 L79 M80 E81 | Y74-P77 WeakPolarHBondContact OH-CD 3.44Å; I75-P77 WeakPolarHBondContact O-CD 3.4Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.26Å; P77-M80 PolarHBondContact O-N 2.85Å; P77-E81 PolarHBondContact O-N 3.22Å |
| 78 | K | 84.6 | Confident | 85.8 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 50% | 0.504 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -30.5 | 177 | -64.3 | 173.4 | -178.5 | 172.6 | 0 | 113.4 | D76 M80 E81 D82 | D76-K78 PolarHBondContact O-N 2.84Å; D76-K78 VanDerWaalsContact O-N 3.08Å; D76-K78 VanDerWaalsContact OD1-CB 3.31Å; D76-K78 WeakPolarHBondContact OD1-CB 3.09Å; D76-K78 WeakPolarHBondContact OD1-CG 3.38Å; D76-K78 PolarHBondContact OD1-N 3.48Å; K78-M80 PolarHBondContact O-N 2.8Å; K78-E81 PolarHBondContact O-N 2.64Å; K78-D82 VanDerWaalsContact O-CB 3.3Å; K78-D82 WeakPolarHBondContact O-CB 3.22Å; K78-D82 PolarHBondContact O-N 3.01Å |
| 79 | L | 85.4 | Confident | 86 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -26.3 | 175.1 | -100.3 | 61.1 | 0 | 0 | 0 | 112.3 | R63 L66 D70 D76 P77 C84 M85 | R63-L79 HydrophobicContact CB-CD1 4.37Å; L66-L79 HydrophobicContact CD2-CD2 3.84Å; L66-L79 HydrophobicContact CD2-CG 4.26Å; D70-L79 HydrophobicContact CB-CD2 4.2Å; D76-L79 HydrophobicContact CB-CD1 4.42Å; D76-L79 WeakPolarHBondContact O-CB 3.38Å; D76-L79 PolarHBondContact O-N 3.03Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.26Å; L79-C84 HydrophobicContact CB-CB 4.28Å; L79-C84 HydrophobicContact CG-CB 4.02Å; L79-C84 WeakPolarHBondContact O-CA 3.37Å; L79-C84 VanDerWaalsContact O-CB 3.24Å; L79-C84 WeakPolarHBondContact O-CB 3.23Å; L79-C84 PolarHBondContact O-N 2.82Å; L79-M85 HydrophobicContact CD2-SD 3.84Å; L79-M85 PolarHBondContact O-N 3.11Å |
| 80 | M | 85.7 | Confident | 86.3 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -91.3 | -40.1 | 175.1 | -65.6 | 180 | -70.3 | 0 | 0 | 111.5 | I75 P77 K78 Y83 I90 | I75-M80 HydrophobicContact CG2-CE 3.96Å; P77-M80 PolarHBondContact O-N 2.85Å; K78-M80 PolarHBondContact O-N 2.8Å; M80-Y83 PolarHBondContact O-N 3.1Å; M80-I90 HydrophobicContact CG-CD1 4.33Å; M80-I90 HydrophobicContact SD-CD1 4.07Å |
| 81 | E | 85.1 | Confident | 86.7 | Confident | 136 Ų | 136 | 66 Ų | 66 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 178.1 | -67.6 | 174.4 | 179.2 | 0 | 0 | 112.8 | P77 K78 Y83 | P77-E81 PolarHBondContact O-N 3.22Å; K78-E81 PolarHBondContact O-N 2.64Å; E81-Y83 PolarHBondContact O-N 3.04Å |
| 82 | D | 84.8 | Confident | 87.1 | Confident | 61 Ų | 61 | 66.8 Ų | 66.8 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 9.9 | 177.2 | -68 | -43.2 | 0 | 0 | 0 | 113.3 | T60 P62 K78 C84 | T60-D82 WeakPolarHBondContact CB-O 3.37Å; T60-D82 PolarHBondContact OG1-O 3.4Å; P62-D82 VanDerWaalsContact CD-OD2 3.28Å; P62-D82 WeakPolarHBondContact CD-OD2 3.08Å; P62-D82 HydrophobicContact CG-CB 4.43Å; P62-D82 WeakPolarHBondContact CG-OD2 3.28Å; K78-D82 VanDerWaalsContact O-CB 3.3Å; K78-D82 WeakPolarHBondContact O-CB 3.22Å; K78-D82 PolarHBondContact O-N 3.01Å; D82-C84 VanDerWaalsContact C-N 3.27Å; D82-C84 PolarHBondContact O-N 2.93Å |
| 83 | Y | 84.9 | Confident | 87.5 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 27.7 | -179.6 | -52.4 | -82.1 | 0 | 0 | 0 | 115 | M80 E81 M85 L157 Q158 H161 | M80-Y83 PolarHBondContact O-N 3.1Å; E81-Y83 PolarHBondContact O-N 3.04Å; Y83-M85 VanDerWaalsContact C-N 3.34Å; Y83-L157 WeakPolarHBondContact O-CD2 3.41Å; Y83-L157 WeakPolarHBondContact O-CG 3.32Å; Y83-Q158 VanDerWaalsContact C-NE2 3.34Å; Y83-Q158 PolarHBondContact O-NE2 3.07Å; Y83-H161 AromaticContact CD1-CE1 3.62Å; Y83-H161 AromaticContact CD1-CG 3.96Å; Y83-H161 AromaticContact CD1-ND1 3.7Å; Y83-H161 AromaticContact CD1-NE2 3.84Å; Y83-H161 HydrophobicContact CD2-CB 4.1Å; Y83-H161 AromaticContact CD2-CG 3.85Å; Y83-H161 AromaticContact CD2-ND1 3.5Å; Y83-H161 AromaticContact CE1-CE1 3.36Å; Y83-H161 WeakPolarHBondContact CE1-CE1 3.24Å; Y83-H161 AromaticContact CE1-ND1 3.68Å; Y83-H161 AromaticContact CE1-NE2 3.93Å; Y83-H161 AromaticContact CE2-CE1 3.97Å; Y83-H161 AromaticContact CE2-ND1 3.47Å; Y83-H161 WeakPolarHBondContact CE2-ND1 3.27Å; Y83-H161 HydrophobicContact CG-CB 4.1Å; Y83-H161 AromaticContact CG-CG 3.68Å; Y83-H161 AromaticContact CG-ND1 3.62Å; Y83-H161 AromaticContact CZ-CE1 3.56Å; Y83-H161 AromaticContact CZ-ND1 3.56Å |
| 84 | C | 86.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -63.9 | -41.5 | 173 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | C61 L79 D82 | C61-C84 WeakPolarHBondContact CA-SG 3.29Å; C61-C84 HydrophobicContact CB-CB 3.97Å; C61-C84 WeakPolarHBondContact CB-SG 3.42Å; C61-C84 WeakPolarHBondContact SG-CB 3.38Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 3.01Å; L79-C84 HydrophobicContact CB-CB 4.28Å; L79-C84 HydrophobicContact CG-CB 4.02Å; L79-C84 WeakPolarHBondContact O-CA 3.37Å; L79-C84 VanDerWaalsContact O-CB 3.24Å; L79-C84 WeakPolarHBondContact O-CB 3.23Å; L79-C84 PolarHBondContact O-N 2.82Å; D82-C84 VanDerWaalsContact C-N 3.27Å; D82-C84 PolarHBondContact O-N 2.93Å |
| 85 | M | 89 | Confident | 88.8 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | trans | -141.9 | 142.7 | -171.4 | -65.3 | -175.4 | 66.7 | 0 | 0 | 111.4 | L66 V71 L79 Y83 T89 I90 I93 | L66-M85 HydrophobicContact CD1-CG 4.08Å; L66-M85 HydrophobicContact CD1-SD 4.36Å; L66-M85 HydrophobicContact CD2-SD 4.13Å; V71-M85 HydrophobicContact CG1-CE 3.71Å; L79-M85 HydrophobicContact CD2-SD 3.84Å; L79-M85 PolarHBondContact O-N 3.11Å; Y83-M85 VanDerWaalsContact C-N 3.34Å; M85-T89 HydrophobicContact CE-CG2 4.04Å; M85-I90 HydrophobicContact CB-CG1 4.34Å; M85-I90 HydrophobicContact CE-CG1 3.77Å; M85-I93 HydrophobicContact CE-CD1 3.64Å | ||
| 86 | N | 90.8 | Very high | 89.3 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | trans | -105.6 | 159.9 | 171.1 | -172.1 | -0.4 | 0 | 0 | 0 | 109.6 | Q88 T89 I90 L157 | N86-Q88 PolarHBondContact O-N 3.26Å; N86-Q88 VanDerWaalsContact O-N 3.09Å; N86-T89 WeakPolarHBondContact O-CA 3.49Å; N86-T89 WeakPolarHBondContact O-CB 3.27Å; N86-T89 PolarHBondContact O-N 3.38Å; N86-I90 PolarHBondContact O-N 2.88Å; N86-L157 HydrophobicContact CB-CD2 4.09Å | ||
| 87 | S | 91.3 | Very high | 89.7 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 53% | 0.531 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -51 | -33.7 | 176 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | L91 | S87-L91 WeakPolarHBondContact O-CB 3.33Å; S87-L91 PolarHBondContact O-N 3.4Å |
| 88 | Q | 92.9 | Very high | 90.2 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 174.3 | -64.2 | -60.7 | -48.9 | 0 | 0 | 112.2 | N86 L91 L92 L153 | N86-Q88 PolarHBondContact O-N 3.26Å; N86-Q88 VanDerWaalsContact O-N 3.09Å; Q88-L91 PolarHBondContact O-N 3.23Å; Q88-L92 PolarHBondContact O-N 3.47Å; Q88-L153 HydrophobicContact CB-CD2 3.66Å |
| 89 | T | 92 | Very high | 90.7 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 174.9 | -43 | 0 | 0 | 0 | 0 | 111.3 | M85 N86 L91 L92 I93 A150 I154 | M85-T89 HydrophobicContact CE-CG2 4.04Å; N86-T89 WeakPolarHBondContact O-CA 3.49Å; N86-T89 WeakPolarHBondContact O-CB 3.27Å; N86-T89 PolarHBondContact O-N 3.38Å; T89-L91 VanDerWaalsContact C-N 3.31Å; T89-L91 PolarHBondContact O-N 3.44Å; T89-L92 PolarHBondContact O-N 3.37Å; T89-I93 HydrophobicContact CG2-CD1 4.18Å; T89-I93 WeakPolarHBondContact O-CG1 3.38Å; T89-I93 PolarHBondContact O-N 2.9Å; T89-A150 HydrophobicContact CG2-CB 4.49Å; T89-I154 HydrophobicContact CG2-CD1 3.82Å; T89-I154 HydrophobicContact CG2-CG1 3.59Å |
| 90 | I | 91.9 | Very high | 91.1 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 176.3 | -65.9 | 167.1 | 0 | 0 | 0 | 110.5 | V71 I75 M80 M85 N86 I93 R94 | V71-I90 HydrophobicContact CB-CG2 4.2Å; V71-I90 HydrophobicContact CG1-CB 4.3Å; V71-I90 HydrophobicContact CG1-CG1 4.24Å; V71-I90 HydrophobicContact CG1-CG2 3.99Å; I75-I90 HydrophobicContact CD1-CD1 4.43Å; I75-I90 HydrophobicContact CD1-CG2 4.05Å; I75-I90 HydrophobicContact CG2-CD1 4.49Å; M80-I90 HydrophobicContact CG-CD1 4.33Å; M80-I90 HydrophobicContact SD-CD1 4.07Å; M85-I90 HydrophobicContact CB-CG1 4.34Å; M85-I90 HydrophobicContact CE-CG1 3.77Å; N86-I90 PolarHBondContact O-N 2.88Å; I90-I93 PolarHBondContact O-N 2.91Å; I90-R94 WeakPolarHBondContact O-CG 3.49Å; I90-R94 PolarHBondContact O-N 3.09Å |
| 91 | L | 93 | Very high | 91.5 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 51% | 0.508 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.1 | -171.2 | 153.6 | 0 | 0 | 0 | 111.5 | S87 Q88 T89 I93 R94 V95 | S87-L91 WeakPolarHBondContact O-CB 3.33Å; S87-L91 PolarHBondContact O-N 3.4Å; Q88-L91 PolarHBondContact O-N 3.23Å; T89-L91 VanDerWaalsContact C-N 3.31Å; T89-L91 PolarHBondContact O-N 3.44Å; L91-I93 PolarHBondContact O-N 3.31Å; L91-R94 PolarHBondContact O-N 3.34Å; L91-V95 HydrophobicContact CD2-CG2 3.91Å; L91-V95 WeakPolarHBondContact O-CG2 3.28Å; L91-V95 PolarHBondContact O-N 2.99Å |
| 92 | L | 93.6 | Very high | 91.9 | Very high | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 177.3 | -75 | 177.3 | 0 | 0 | 0 | 112.4 | Q88 T89 V95 I96 F146 W149 A150 L153 | Q88-L92 PolarHBondContact O-N 3.47Å; T89-L92 PolarHBondContact O-N 3.37Å; L92-V95 PolarHBondContact O-N 3.33Å; L92-I96 WeakPolarHBondContact O-CG1 3.37Å; L92-I96 PolarHBondContact O-N 3.43Å; L92-F146 HydrophobicContact CD2-CD1 4.35Å; L92-W149 HydrophobicContact CD1-CB 4.47Å; L92-W149 HydrophobicContact CD1-CD2 4.34Å; L92-W149 HydrophobicContact CD1-CG 4.17Å; L92-W149 HydrophobicContact CD2-CE3 4.39Å; L92-A150 HydrophobicContact CB-CB 4.43Å; L92-A150 HydrophobicContact CD1-CB 4.39Å; L92-L153 HydrophobicContact CD1-CD1 4.48Å; L92-L153 HydrophobicContact CD1-CD2 4.15Å |
| 93 | I | 92.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.7 | -32.1 | 179.5 | -61.2 | 173.4 | 0 | 0 | 0 | 111.5 | V68 V71 M85 T89 I90 L91 I96 A97 A150 | V68-I93 HydrophobicContact CB-CG2 4.46Å; V68-I93 HydrophobicContact CG2-CG2 3.85Å; V71-I93 HydrophobicContact CG1-CB 4.36Å; V71-I93 HydrophobicContact CG1-CG2 4.41Å; V71-I93 HydrophobicContact CG2-CB 3.92Å; V71-I93 HydrophobicContact CG2-CG2 3.48Å; V71-I93 VanDerWaalsContact CG2-CG2 3.48Å; M85-I93 HydrophobicContact CE-CD1 3.64Å; T89-I93 HydrophobicContact CG2-CD1 4.18Å; T89-I93 WeakPolarHBondContact O-CG1 3.38Å; T89-I93 PolarHBondContact O-N 2.9Å; I90-I93 PolarHBondContact O-N 2.91Å; L91-I93 PolarHBondContact O-N 3.31Å; I93-I96 HydrophobicContact CG1-CD1 4.49Å; I93-I96 WeakPolarHBondContact O-CB 3.41Å; I93-I96 PolarHBondContact O-N 3.46Å; I93-A97 WeakPolarHBondContact O-CB 3.5Å; I93-A97 PolarHBondContact O-N 2.89Å; I93-A150 HydrophobicContact CG1-CB 4.46Å |
| 94 | R | 93.7 | Very high | 92.6 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.8 | -39.2 | 169.7 | -74.6 | 175.2 | 170.8 | -175.4 | -4.3 | 112.6 | V71 I90 L91 A97 A98 | V71-R94 HydrophobicContact CB-CG 4.06Å; V71-R94 HydrophobicContact CG2-CG 3.89Å; V71-R94 VanDerWaalsContact O-CZ 3.32Å; V71-R94 PolarHBondContact O-NE 3.47Å; V71-R94 PolarHBondContact O-NH2 3.32Å; I90-R94 WeakPolarHBondContact O-CG 3.49Å; I90-R94 PolarHBondContact O-N 3.09Å; L91-R94 PolarHBondContact O-N 3.34Å; R94-A97 PolarHBondContact O-N 2.82Å; R94-A98 PolarHBondContact O-N 3.11Å |
| 95 | V | 94.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 173.7 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | L91 L92 A97 A98 F99 F146 | L91-V95 HydrophobicContact CD2-CG2 3.91Å; L91-V95 WeakPolarHBondContact O-CG2 3.28Å; L91-V95 PolarHBondContact O-N 2.99Å; L92-V95 PolarHBondContact O-N 3.33Å; V95-A97 VanDerWaalsContact C-N 3.33Å; V95-A97 PolarHBondContact O-N 2.88Å; V95-A98 PolarHBondContact O-N 2.99Å; V95-F99 HydrophobicContact CG1-CD2 3.67Å; V95-F99 HydrophobicContact CG1-CE2 3.7Å; V95-F99 WeakPolarHBondContact O-CD2 3.42Å; V95-F99 PolarHBondContact O-N 3.34Å; V95-F146 HydrophobicContact CG1-CD2 4.29Å; V95-F146 HydrophobicContact CG1-CE2 4.04Å; V95-F146 HydrophobicContact CG1-CZ 4.45Å |
| 96 | I | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.5 | -50.2 | 172.3 | -75 | 159.8 | 0 | 0 | 0 | 110.8 | W53 V68 L92 I93 A98 F99 C100 V143 F146 | W53-I96 HydrophobicContact CE3-CG2 4.04Å; W53-I96 HydrophobicContact CH2-CG2 3.74Å; W53-I96 HydrophobicContact CZ3-CG2 3.45Å; W53-I96 VanDerWaalsContact CZ3-CG2 3.45Å; V68-I96 HydrophobicContact CG2-CG2 4.44Å; L92-I96 WeakPolarHBondContact O-CG1 3.37Å; L92-I96 PolarHBondContact O-N 3.43Å; I93-I96 HydrophobicContact CG1-CD1 4.49Å; I93-I96 WeakPolarHBondContact O-CB 3.41Å; I93-I96 PolarHBondContact O-N 3.46Å; I96-A98 PolarHBondContact O-N 3.39Å; I96-F99 PolarHBondContact O-N 3.05Å; I96-C100 PolarHBondContact O-N 3.33Å; I96-C100 PolarHBondContact O-SG 3.46Å; I96-V143 HydrophobicContact CG2-CG1 3.95Å; I96-F146 HydrophobicContact CD1-CB 3.82Å; I96-F146 HydrophobicContact CG1-CB 3.55Å; I96-F146 HydrophobicContact CG1-CG 4.48Å |
| 97 | A | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L48 V68 L72 I93 R94 V95 F99 C100 F101 | L48-A97 HydrophobicContact CD2-CB 4.31Å; V68-A97 HydrophobicContact CB-CB 4.49Å; V68-A97 HydrophobicContact CG1-CB 3.56Å; V68-A97 HydrophobicContact CG2-CB 4.08Å; L72-A97 HydrophobicContact CD1-CB 4.25Å; L72-A97 HydrophobicContact CD2-CB 4.21Å; L72-A97 HydrophobicContact CG-CB 4.43Å; I93-A97 WeakPolarHBondContact O-CB 3.5Å; I93-A97 PolarHBondContact O-N 2.89Å; R94-A97 PolarHBondContact O-N 2.82Å; V95-A97 VanDerWaalsContact C-N 3.33Å; V95-A97 PolarHBondContact O-N 2.88Å; A97-F99 PolarHBondContact O-N 3.33Å; A97-C100 PolarHBondContact O-N 2.96Å; A97-C100 VanDerWaalsContact O-N 3.17Å; A97-F101 WeakPolarHBondContact O-CD2 3.41Å; A97-F101 PolarHBondContact O-N 3.11Å |
| 98 | A | 94.4 | Very high | 92.9 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 48% | 0.479 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | R94 V95 I96 F101 L102 | R94-A98 PolarHBondContact O-N 3.11Å; V95-A98 PolarHBondContact O-N 2.99Å; I96-A98 PolarHBondContact O-N 3.39Å; A98-F101 PolarHBondContact O-N 3.31Å; A98-L102 WeakPolarHBondContact O-CB 3.37Å; A98-L102 PolarHBondContact O-N 3Å |
| 99 | F | 94.4 | Very high | 92.5 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 32% | 0.316 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 172.8 | -86.8 | -78.7 | 0 | 0 | 0 | 112.1 | V95 I96 A97 L102 G103 Q139 V143 F146 | V95-F99 HydrophobicContact CG1-CD2 3.67Å; V95-F99 HydrophobicContact CG1-CE2 3.7Å; V95-F99 WeakPolarHBondContact O-CD2 3.42Å; V95-F99 PolarHBondContact O-N 3.34Å; I96-F99 PolarHBondContact O-N 3.05Å; A97-F99 PolarHBondContact O-N 3.33Å; F99-L102 PolarHBondContact O-N 2.88Å; F99-G103 PolarHBondContact O-N 2.91Å; F99-Q139 HydrophobicContact CD1-CG 4.21Å; F99-Q139 PolarHBondContact O-NE2 3.17Å; F99-V143 HydrophobicContact CB-CG2 3.66Å; F99-F146 HydrophobicContact CD2-CD2 4.48Å; F99-F146 AromaticContact CD2-CE2 3.97Å; F99-F146 HydrophobicContact CD2-CE2 3.97Å; F99-F146 AromaticContact CE2-CE2 3.78Å; F99-F146 HydrophobicContact CE2-CE2 3.78Å; F99-F146 HydrophobicContact CE2-CZ 4.48Å; F99-F146 HydrophobicContact CZ-CE2 4.45Å |
| 100 | C | 94 | Very high | 92.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | 175.1 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | L48 I96 A97 G103 I104 | L48-C100 HydrophobicContact CD1-CB 3.91Å; L48-C100 HydrophobicContact CD2-CB 3.65Å; L48-C100 HydrophobicContact CG-CB 3.75Å; I96-C100 PolarHBondContact O-N 3.33Å; I96-C100 PolarHBondContact O-SG 3.46Å; A97-C100 PolarHBondContact O-N 2.96Å; A97-C100 VanDerWaalsContact O-N 3.17Å; C100-G103 PolarHBondContact O-N 3.24Å; C100-I104 WeakPolarHBondContact O-CG1 3.44Å; C100-I104 PolarHBondContact O-N 3.29Å |
| 101 | F | 94.4 | Very high | 91.8 | Very high | 107 Ų | 107 | 46.6 Ų | 46.6 | 47% | 0.469 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.5 | -76 | -63.5 | 0 | 0 | 0 | 112.3 | L48 L72 A97 A98 G103 I104 L105 | L48-F101 HydrophobicContact CD1-CD1 3.7Å; L48-F101 HydrophobicContact CD1-CD2 4.29Å; L48-F101 HydrophobicContact CD1-CE1 3.65Å; L48-F101 HydrophobicContact CD1-CE2 4.24Å; L48-F101 HydrophobicContact CD1-CG 4.02Å; L48-F101 HydrophobicContact CD1-CZ 3.92Å; L72-F101 HydrophobicContact CD1-CE2 4.15Å; A97-F101 WeakPolarHBondContact O-CD2 3.41Å; A97-F101 PolarHBondContact O-N 3.11Å; A98-F101 PolarHBondContact O-N 3.31Å; F101-G103 VanDerWaalsContact C-N 3.27Å; F101-G103 PolarHBondContact O-N 3.08Å; F101-I104 PolarHBondContact O-N 3.44Å; F101-L105 WeakPolarHBondContact O-CG 3.2Å; F101-L105 PolarHBondContact O-N 2.99Å |
| 102 | L | 92.9 | Very high | 91.3 | Very high | 97 Ų | 97 | 45.9 Ų | 45.9 | 51% | 0.508 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.3 | -36 | 175.7 | 178.6 | 65.2 | 0 | 0 | 0 | 111.7 | A98 F99 L105 C106 | A98-L102 WeakPolarHBondContact O-CB 3.37Å; A98-L102 PolarHBondContact O-N 3Å; F99-L102 PolarHBondContact O-N 2.88Å; L102-L105 PolarHBondContact O-N 3.49Å; L102-C106 WeakPolarHBondContact O-CB 3.47Å; L102-C106 PolarHBondContact O-N 3.03Å |
| 103 | G | 91.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F99 C100 F101 C106 S107 Q139 | F99-G103 PolarHBondContact O-N 2.91Å; C100-G103 PolarHBondContact O-N 3.24Å; F101-G103 VanDerWaalsContact C-N 3.27Å; F101-G103 PolarHBondContact O-N 3.08Å; G103-C106 PolarHBondContact O-N 2.8Å; G103-S107 VanDerWaalsContact O-CB 3.26Å; G103-S107 WeakPolarHBondContact O-CB 3.37Å; G103-S107 PolarHBondContact O-N 2.96Å; G103-S107 PolarHBondContact O-OG 3.33Å; G103-Q139 VanDerWaalsContact CA-CD 3.46Å; G103-Q139 VanDerWaalsContact CA-OE1 3.23Å; G103-Q139 VanDerWaalsContact N-NE2 3.1Å |
| 104 | I | 94.2 | Very high | 89.8 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 172.3 | -68.9 | 161.7 | 0 | 0 | 0 | 110.4 | L44 L48 C100 F101 S107 L108 | L44-I104 HydrophobicContact CB-CD1 4.09Å; L44-I104 HydrophobicContact CB-CG1 3.56Å; L44-I104 HydrophobicContact CD1-CG1 4.22Å; L48-I104 HydrophobicContact CD1-CD1 3.51Å; C100-I104 WeakPolarHBondContact O-CG1 3.44Å; C100-I104 PolarHBondContact O-N 3.29Å; F101-I104 PolarHBondContact O-N 3.44Å; I104-S107 PolarHBondContact O-N 3.3Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.27Å; I104-L108 VanDerWaalsContact O-CB 3.29Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 VanDerWaalsContact O-CG 3.23Å; I104-L108 WeakPolarHBondContact O-CG 3.48Å; I104-L108 PolarHBondContact O-N 3.44Å |
| 105 | L | 92.5 | Very high | 88.9 | Confident | 108 Ų | 108 | 44 Ų | 44 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.9 | -42 | 176.6 | -67.4 | 171.5 | 0 | 0 | 0 | 112.2 | F101 L102 T109 | F101-L105 WeakPolarHBondContact O-CG 3.2Å; F101-L105 PolarHBondContact O-N 2.99Å; L102-L105 PolarHBondContact O-N 3.49Å; L105-T109 PolarHBondContact O-N 2.98Å; L105-T109 PolarHBondContact O-OG1 3.08Å |
| 106 | C | 89.4 | Confident | 87.9 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 14% | 0.135 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175.9 | -164.2 | 0 | 0 | 0 | 0 | 111.5 | L102 G103 T109 A110 A132 | L102-C106 WeakPolarHBondContact O-CB 3.47Å; L102-C106 PolarHBondContact O-N 3.03Å; G103-C106 PolarHBondContact O-N 2.8Å; C106-T109 PolarHBondContact O-N 3.31Å; C106-T109 PolarHBondContact O-OG1 3.29Å; C106-A110 WeakPolarHBondContact O-CB 3.48Å; C106-A110 PolarHBondContact O-N 2.84Å; C106-A132 PolarHBondContact SG-O 2.83Å |
| 107 | S | 90.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 178 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | I41 G103 I104 A110 F111 T136 | I41-S107 VanDerWaalsContact CG1-CB 3.44Å; G103-S107 VanDerWaalsContact O-CB 3.26Å; G103-S107 WeakPolarHBondContact O-CB 3.37Å; G103-S107 PolarHBondContact O-N 2.96Å; G103-S107 PolarHBondContact O-OG 3.33Å; I104-S107 PolarHBondContact O-N 3.3Å; S107-A110 WeakPolarHBondContact O-CB 3.4Å; S107-A110 PolarHBondContact O-N 3.28Å; S107-F111 WeakPolarHBondContact O-CB 3.17Å; S107-F111 PolarHBondContact O-N 3.11Å; S107-T136 VanDerWaalsContact OG-CG2 3.25Å; S107-T136 WeakPolarHBondContact OG-CG2 3.24Å; S107-T136 PolarHBondContact OG-OG1 2.83Å |
| 108 | L | 90.2 | Very high | 85 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 175 | -78.8 | 168 | 0 | 0 | 0 | 111.1 | I41 I104 A110 F111 L112 | I41-L108 HydrophobicContact CD1-CD2 4.06Å; I41-L108 HydrophobicContact CD1-CG 4.42Å; I41-L108 HydrophobicContact CG2-CD2 4.09Å; I41-L108 HydrophobicContact CG2-CG 4.32Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.27Å; I104-L108 VanDerWaalsContact O-CB 3.29Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 VanDerWaalsContact O-CG 3.23Å; I104-L108 WeakPolarHBondContact O-CG 3.48Å; I104-L108 PolarHBondContact O-N 3.44Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.13Å; L108-F111 PolarHBondContact O-N 3.21Å; L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 2.85Å |
| 109 | T | 85.4 | Confident | 83.4 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 47% | 0.466 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 176.3 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | L105 C106 L113 | L105-T109 PolarHBondContact O-N 2.98Å; L105-T109 PolarHBondContact O-OG1 3.08Å; C106-T109 PolarHBondContact O-N 3.31Å; C106-T109 PolarHBondContact O-OG1 3.29Å; T109-L113 VanDerWaalsContact O-CG 3.27Å; T109-L113 WeakPolarHBondContact O-CG 3.43Å; T109-L113 PolarHBondContact O-N 3.4Å; T109-L113 VanDerWaalsContact O-N 3.15Å |
| 110 | A | 84.3 | Confident | 82 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -52 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C106 S107 L108 L112 L113 D114 A132 | C106-A110 WeakPolarHBondContact O-CB 3.48Å; C106-A110 PolarHBondContact O-N 2.84Å; S107-A110 WeakPolarHBondContact O-CB 3.4Å; S107-A110 PolarHBondContact O-N 3.28Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.13Å; A110-L112 PolarHBondContact O-N 3.28Å; A110-L113 WeakPolarHBondContact O-CB 3.37Å; A110-L113 PolarHBondContact O-N 3.16Å; A110-L113 VanDerWaalsContact O-N 3.17Å; A110-D114 PolarHBondContact O-N 3.47Å; A110-A132 HydrophobicContact CB-CB 3.6Å |
| 111 | F | 84.7 | Confident | 80.3 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | -179.7 | 176.1 | -97.4 | 0 | 0 | 0 | 112.4 | A34 A38 I41 S107 L108 L113 D114 V115 | A34-F111 HydrophobicContact CB-CD2 4.4Å; A34-F111 HydrophobicContact CB-CE2 3.96Å; A34-F111 WeakPolarHBondContact O-CE2 3.39Å; A38-F111 HydrophobicContact CB-CD2 4.27Å; A38-F111 HydrophobicContact CB-CE2 3.84Å; A38-F111 HydrophobicContact CB-CZ 4.49Å; I41-F111 HydrophobicContact CD1-CB 3.63Å; I41-F111 HydrophobicContact CD1-CD1 4.44Å; I41-F111 HydrophobicContact CD1-CG 3.97Å; S107-F111 WeakPolarHBondContact O-CB 3.17Å; S107-F111 PolarHBondContact O-N 3.11Å; L108-F111 PolarHBondContact O-N 3.21Å; F111-L113 VanDerWaalsContact C-N 3.3Å; F111-L113 PolarHBondContact O-N 3.31Å; F111-D114 PolarHBondContact O-N 3.31Å; F111-V115 HydrophobicContact CD1-CG2 4.28Å; F111-V115 HydrophobicContact CD2-CG2 4.31Å; F111-V115 HydrophobicContact CE1-CG2 3.86Å; F111-V115 HydrophobicContact CE2-CG2 3.89Å; F111-V115 HydrophobicContact CG-CG2 4.49Å; F111-V115 HydrophobicContact CZ-CG2 3.65Å; F111-V115 WeakPolarHBondContact O-CG2 3.49Å; F111-V115 PolarHBondContact O-N 2.86Å |
| 112 | L | 82.9 | Confident | 78.5 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 175.6 | -69.3 | 169.9 | 0 | 0 | 0 | 111.9 | L108 A110 F116 | L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 2.85Å; A110-L112 PolarHBondContact O-N 3.28Å; L112-F116 HydrophobicContact CB-CD2 4.38Å; L112-F116 HydrophobicContact CD2-CD2 3.85Å; L112-F116 HydrophobicContact CD2-CE2 3.54Å; L112-F116 WeakPolarHBondContact O-CB 3.44Å; L112-F116 WeakPolarHBondContact O-CD2 3.26Å; L112-F116 PolarHBondContact O-N 2.97Å |
| 113 | L | 77.8 | Confident | 76.9 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 174.7 | -68.3 | 169 | 0 | 0 | 0 | 112.7 | T109 A110 F111 P118 L123 T126 R127 | T109-L113 VanDerWaalsContact O-CG 3.27Å; T109-L113 WeakPolarHBondContact O-CG 3.43Å; T109-L113 PolarHBondContact O-N 3.4Å; T109-L113 VanDerWaalsContact O-N 3.15Å; A110-L113 WeakPolarHBondContact O-CB 3.37Å; A110-L113 PolarHBondContact O-N 3.16Å; A110-L113 VanDerWaalsContact O-N 3.17Å; F111-L113 VanDerWaalsContact C-N 3.3Å; F111-L113 PolarHBondContact O-N 3.31Å; L113-P118 HydrophobicContact CD2-CB 4.25Å; L113-L123 HydrophobicContact CD2-CB 3.98Å; L113-L123 HydrophobicContact CD2-CD1 4.28Å; L113-L123 HydrophobicContact CD2-CD2 4.2Å; L113-L123 HydrophobicContact CD2-CG 4.39Å; L113-T126 HydrophobicContact CD1-CG2 4.17Å; L113-R127 WeakPolarHBondContact O-CD 3.25Å; L113-R127 PolarHBondContact O-NH1 2.89Å |
| 114 | D | 76.4 | Confident | 75.5 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 5% | 0.053 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.7 | -31.3 | 175 | -76 | -31 | 0 | 0 | 0 | 113 | S30 A110 F111 H133 N194 | S30-D114 PolarHBondContact OG-O 2.71Å; A110-D114 PolarHBondContact O-N 3.47Å; F111-D114 PolarHBondContact O-N 3.31Å; D114-H133 IonicContact OD2-CD2 3.81Å; D114-H133 IonicContact OD2-CE1 2.64Å; D114-H133 IonicContact OD2-NE2 3.82Å; D114-H133 PolarHBondContact OD2-NE2 2.86Å; D114-N194 PolarHBondContact OD1-ND2 2.91Å; D114-N194 PolarHBondContact OD2-ND2 3.26Å |
| 115 | V | 74.6 | Confident | 74 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -88.6 | -53.6 | 179.7 | 172.4 | 0 | 0 | 0 | 0 | 112.9 | A34 F111 | A34-V115 HydrophobicContact CB-CG2 4.35Å; F111-V115 HydrophobicContact CD1-CG2 4.28Å; F111-V115 HydrophobicContact CD2-CG2 4.31Å; F111-V115 HydrophobicContact CE1-CG2 3.86Å; F111-V115 HydrophobicContact CE2-CG2 3.89Å; F111-V115 HydrophobicContact CG-CG2 4.49Å; F111-V115 HydrophobicContact CZ-CG2 3.65Å; F111-V115 WeakPolarHBondContact O-CG2 3.49Å; F111-V115 PolarHBondContact O-N 2.86Å |
| 116 | F | 72.3 | Confident | 72.5 | Confident | 162 Ų | 162 | 66.7 Ų | 66.7 | 71% | 0.711 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -83.3 | -18.8 | -165.9 | -77.3 | -72.6 | 0 | 0 | 0 | 115.3 | L112 | L112-F116 HydrophobicContact CB-CD2 4.38Å; L112-F116 HydrophobicContact CD2-CD2 3.85Å; L112-F116 HydrophobicContact CD2-CE2 3.54Å; L112-F116 WeakPolarHBondContact O-CB 3.44Å; L112-F116 WeakPolarHBondContact O-CD2 3.26Å; L112-F116 PolarHBondContact O-N 2.97Å |
| 117 | G | 64.6 | Low | 71.4 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | trans | 77.2 | 115.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K119 | G117-K119 PolarHBondContact O-N 3.43Š| ||
| 118 | P | 62.9 | Low | 70.1 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | trans | -68.9 | 118.2 | -178.2 | 24.3 | -31.9 | 0 | 0 | 0 | 112.4 | L113 L123 K124 R127 | L113-P118 HydrophobicContact CD2-CB 4.25Å; P118-L123 HydrophobicContact CB-CB 3.34Å; P118-L123 HydrophobicContact CG-CB 4.5Å; P118-K124 HydrophobicContact CG-CB 4.35Å; P118-K124 HydrophobicContact CG-CG 4.02Å; P118-R127 HydrophobicContact CG-CB 4.44Å | ||
| 119 | K | 62.3 | Low | 68.8 | Low | 208 Ų | 208 | 76.4 Ų | 76.4 | 90% | 0.904 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -73.8 | -20.5 | 175.9 | -65.1 | -171.9 | 177.9 | -174.3 | 0 | 114.5 | G117 | G117-K119 PolarHBondContact O-N 3.43Š|
| 120 | H | 65.1 | Low | 68.4 | Low | 134 Ų | 134 | 73 Ų | 73 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -106.3 | 143.8 | 178.6 | -98.1 | -80 | 0 | 0 | 0 | 111.6 | A122 L123 K124 | H120-A122 VanDerWaalsContact C-N 3.33Å; H120-A122 PolarHBondContact O-N 3.26Å; H120-L123 HydrophobicContact CB-CD1 4.44Å; H120-L123 HydrophobicContact CB-CG 4.48Å; H120-L123 PolarHBondContact O-N 3.03Å; H120-K124 PolarHBondContact O-N 2.86Å; H120-K124 VanDerWaalsContact O-N 3.11Å |
| 121 | P | 58.3 | Low | 68.3 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 50% | 0.5 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | -177.5 | 23 | -33.6 | 0 | 0 | 0 | 113.5 | L123 K124 I125 | P121-L123 PolarHBondContact O-N 3.23Å; P121-K124 WeakPolarHBondContact O-CB 3.49Å; P121-K124 PolarHBondContact O-N 3.26Å; P121-K124 VanDerWaalsContact O-N 3.11Å; P121-I125 PolarHBondContact O-N 3.41Å; P121-I125 VanDerWaalsContact O-N 3.08Å |
| 122 | A | 55.2 | Low | 68.2 | Low | 65 Ų | 65 | 76 Ų | 76 | 54% | 0.537 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.9 | -35.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | H120 I125 T126 | H120-A122 VanDerWaalsContact C-N 3.33Å; H120-A122 PolarHBondContact O-N 3.26Å; A122-I125 WeakPolarHBondContact O-CB 3.21Å; A122-T126 PolarHBondContact O-N 3.49Å; A122-T126 PolarHBondContact O-OG1 3.13Å; A122-T126 VanDerWaalsContact O-OG1 3.05Å |
| 123 | L | 59.6 | Low | 68.4 | Low | 74 Ų | 74 | 72.3 Ų | 72.3 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -81.8 | -26.6 | 178.4 | -60.8 | 176.8 | 0 | 0 | 0 | 112.3 | L113 P118 H120 P121 I125 T126 R127 | L113-L123 HydrophobicContact CD2-CB 3.98Å; L113-L123 HydrophobicContact CD2-CD1 4.28Å; L113-L123 HydrophobicContact CD2-CD2 4.2Å; L113-L123 HydrophobicContact CD2-CG 4.39Å; P118-L123 HydrophobicContact CB-CB 3.34Å; P118-L123 HydrophobicContact CG-CB 4.5Å; H120-L123 HydrophobicContact CB-CD1 4.44Å; H120-L123 HydrophobicContact CB-CG 4.48Å; H120-L123 PolarHBondContact O-N 3.03Å; P121-L123 PolarHBondContact O-N 3.23Å; L123-I125 VanDerWaalsContact C-N 3.32Å; L123-T126 PolarHBondContact O-N 3.38Å; L123-R127 PolarHBondContact O-N 2.92Å; L123-R127 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 63.4 | Low | 69 | Low | 81 Ų | 81 | 74 Ų | 74 | 35% | 0.352 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 166.3 | -72.8 | -171 | 175 | -171.7 | 0 | 110 | P118 H120 P121 R127 R128 E205 | P118-K124 HydrophobicContact CG-CB 4.35Å; P118-K124 HydrophobicContact CG-CG 4.02Å; H120-K124 PolarHBondContact O-N 2.86Å; H120-K124 VanDerWaalsContact O-N 3.11Å; P121-K124 WeakPolarHBondContact O-CB 3.49Å; P121-K124 PolarHBondContact O-N 3.26Å; P121-K124 VanDerWaalsContact O-N 3.11Å; K124-R127 PolarHBondContact O-N 3.17Å; K124-R128 WeakPolarHBondContact O-CB 3.14Å; K124-R128 PolarHBondContact O-N 2.96Å; K124-E205 IonicContact NZ-OE1 2.85Å; K124-E205 IonicContact NZ-OE2 2.83Å; K124-E205 PolarHBondContact NZ-OE2 3.49Å |
| 125 | I | 60.8 | Low | 69.6 | Low | 93 Ų | 93 | 76.7 Ų | 76.7 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 176.7 | -75.9 | 163.3 | 0 | 0 | 0 | 111.5 | P121 A122 L123 R127 R128 Y129 | P121-I125 PolarHBondContact O-N 3.41Å; P121-I125 VanDerWaalsContact O-N 3.08Å; A122-I125 WeakPolarHBondContact O-CB 3.21Å; L123-I125 VanDerWaalsContact C-N 3.32Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 3.36Å; I125-R128 PolarHBondContact O-N 2.89Å; I125-R128 VanDerWaalsContact O-N 3.13Å; I125-Y129 HydrophobicContact CG2-CD2 3.95Å; I125-Y129 HydrophobicContact CG2-CE2 3.95Å; I125-Y129 VanDerWaalsContact O-CD2 3.28Å; I125-Y129 WeakPolarHBondContact O-CD2 3.44Å; I125-Y129 PolarHBondContact O-N 3.15Å |
| 126 | T | 61.9 | Low | 70.4 | Confident | 46 Ų | 46 | 73.7 Ų | 73.7 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 178 | -47.4 | 0 | 0 | 0 | 0 | 112.7 | L113 A122 L123 | L113-T126 HydrophobicContact CD1-CG2 4.17Å; A122-T126 PolarHBondContact O-N 3.49Å; A122-T126 PolarHBondContact O-OG1 3.13Å; A122-T126 VanDerWaalsContact O-OG1 3.05Å; L123-T126 PolarHBondContact O-N 3.38Å |
| 127 | R | 66.3 | Low | 71.4 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 22% | 0.219 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 176.3 | -162.7 | 171 | 87.7 | 165.6 | 11.4 | 112.1 | L113 P118 L123 K124 I125 Y129 A130 Y199 | L113-R127 WeakPolarHBondContact O-CD 3.25Å; L113-R127 PolarHBondContact O-NH1 2.89Å; P118-R127 HydrophobicContact CG-CB 4.44Å; L123-R127 PolarHBondContact O-N 2.92Å; L123-R127 VanDerWaalsContact O-N 3.11Å; K124-R127 PolarHBondContact O-N 3.17Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 3.36Å; R127-Y129 VanDerWaalsContact C-N 3.34Å; R127-Y129 PolarHBondContact O-N 3.27Å; R127-A130 PolarHBondContact O-N 2.93Å; R127-Y199 VanDerWaalsContact CZ-OH 3.23Å; R127-Y199 PolarHBondContact NE-OH 3.15Å; R127-Y199 PolarHBondContact NH2-OH 3.2Å |
| 128 | R | 63.2 | Low | 72.9 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -32.7 | -177.6 | -160.3 | 175.9 | -165 | 150.6 | 13.6 | 113.5 | K124 I125 Y199 P200 | K124-R128 WeakPolarHBondContact O-CB 3.14Å; K124-R128 PolarHBondContact O-N 2.96Å; I125-R128 PolarHBondContact O-N 2.89Å; I125-R128 VanDerWaalsContact O-N 3.13Å; R128-Y199 HydrophobicContact CG-CG 4.38Å; R128-Y199 PolarHBondContact NH2-O 3.42Å; R128-P200 PolarHBondContact NH2-O 2.99Å |
| 129 | Y | 62.8 | Low | 74.4 | Confident | 151 Ų | 151 | 71.5 Ų | 71.5 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 1.2 | 178.1 | -68 | -68.3 | 0 | 0 | 0 | 114.7 | I125 R127 F131 | I125-Y129 HydrophobicContact CG2-CD2 3.95Å; I125-Y129 HydrophobicContact CG2-CE2 3.95Å; I125-Y129 VanDerWaalsContact O-CD2 3.28Å; I125-Y129 WeakPolarHBondContact O-CD2 3.44Å; I125-Y129 PolarHBondContact O-N 3.15Å; R127-Y129 VanDerWaalsContact C-N 3.34Å; R127-Y129 PolarHBondContact O-N 3.27Å; Y129-F131 PolarHBondContact O-N 3.39Å |
| 130 | A | 77.6 | Confident | 76 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 25.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R127 A132 H133 I134 T191 N194 L195 | R127-A130 PolarHBondContact O-N 2.93Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 3.36Å; A130-H133 PolarHBondContact O-N 2.9Å; A130-I134 PolarHBondContact O-N 3.4Å; A130-I134 VanDerWaalsContact O-N 3.11Å; A130-T191 HydrophobicContact CB-CG2 3.98Å; A130-N194 HydrophobicContact CB-CB 4.05Å; A130-L195 HydrophobicContact CB-CG 4.47Å |
| 131 | F | 82 | Confident | 77.5 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | -162.7 | -179 | -108.3 | 0 | 0 | 0 | 113.3 | Y129 I134 L135 | Y129-F131 PolarHBondContact O-N 3.39Å; F131-I134 PolarHBondContact O-N 3.05Å; F131-L135 HydrophobicContact CD1-CD1 3.92Å; F131-L135 HydrophobicContact CD1-CG 4.34Å; F131-L135 HydrophobicContact CE1-CD1 3.49Å; F131-L135 VanDerWaalsContact CE1-CD1 3.49Å; F131-L135 HydrophobicContact CE1-CG 4.04Å; F131-L135 HydrophobicContact CZ-CD1 3.99Å; F131-L135 HydrophobicContact CZ-CD2 4.17Å; F131-L135 HydrophobicContact CZ-CG 4.14Å; F131-L135 WeakPolarHBondContact O-CG 3.34Å; F131-L135 PolarHBondContact O-N 3.21Å |
| 132 | A | 82.6 | Confident | 79.3 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C106 A110 A130 T136 | C106-A132 PolarHBondContact SG-O 2.83Å; A110-A132 HydrophobicContact CB-CB 3.6Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 3.36Å; A132-T136 WeakPolarHBondContact O-CB 3.48Å; A132-T136 PolarHBondContact O-N 2.73Å; A132-T136 PolarHBondContact O-OG1 2.66Å |
| 133 | H | 86.8 | Confident | 81.2 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 172.1 | -68.4 | -61.5 | 0 | 0 | 0 | 110.8 | D114 A130 T136 V137 T191 | D114-H133 IonicContact OD2-CD2 3.81Å; D114-H133 IonicContact OD2-CE1 2.64Å; D114-H133 IonicContact OD2-NE2 3.82Å; D114-H133 PolarHBondContact OD2-NE2 2.86Å; A130-H133 PolarHBondContact O-N 2.9Å; H133-T136 WeakPolarHBondContact O-CB 3.43Å; H133-T136 PolarHBondContact O-N 3.05Å; H133-V137 WeakPolarHBondContact O-CG2 3.49Å; H133-V137 PolarHBondContact O-N 3.25Å; H133-T191 WeakPolarHBondContact CB-OG1 3.38Å |
| 134 | I | 90.1 | Very high | 82.9 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.6 | -64.2 | 168.9 | 0 | 0 | 0 | 111.2 | A130 F131 T136 V137 L138 T191 | A130-I134 PolarHBondContact O-N 3.4Å; A130-I134 VanDerWaalsContact O-N 3.11Å; F131-I134 PolarHBondContact O-N 3.05Å; I134-T136 VanDerWaalsContact C-N 3.29Å; I134-T136 PolarHBondContact O-N 3.17Å; I134-V137 PolarHBondContact O-N 3.4Å; I134-V137 VanDerWaalsContact O-N 3.17Å; I134-L138 WeakPolarHBondContact O-CG 3.4Å; I134-L138 PolarHBondContact O-N 3.18Å; I134-T191 HydrophobicContact CD1-CG2 4.13Å; I134-T191 HydrophobicContact CG1-CG2 3.66Å |
| 135 | L | 89.9 | Confident | 84.5 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 173.3 | -74.2 | -179.8 | 0 | 0 | 0 | 111.8 | F131 V137 L138 Q139 | F131-L135 HydrophobicContact CD1-CD1 3.92Å; F131-L135 HydrophobicContact CD1-CG 4.34Å; F131-L135 HydrophobicContact CE1-CD1 3.49Å; F131-L135 VanDerWaalsContact CE1-CD1 3.49Å; F131-L135 HydrophobicContact CE1-CG 4.04Å; F131-L135 HydrophobicContact CZ-CD1 3.99Å; F131-L135 HydrophobicContact CZ-CD2 4.17Å; F131-L135 HydrophobicContact CZ-CG 4.14Å; F131-L135 WeakPolarHBondContact O-CG 3.34Å; F131-L135 PolarHBondContact O-N 3.21Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 2.91Å; L135-L138 PolarHBondContact O-N 3.02Å; L135-Q139 VanDerWaalsContact O-CB 3.24Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-N 3.36Å |
| 136 | T | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | L44 S107 A132 H133 I134 Q139 C140 S187 | L44-T136 HydrophobicContact CD1-CG2 4.39Å; S107-T136 VanDerWaalsContact OG-CG2 3.25Å; S107-T136 WeakPolarHBondContact OG-CG2 3.24Å; S107-T136 PolarHBondContact OG-OG1 2.83Å; A132-T136 WeakPolarHBondContact O-CB 3.48Å; A132-T136 PolarHBondContact O-N 2.73Å; A132-T136 PolarHBondContact O-OG1 2.66Å; H133-T136 WeakPolarHBondContact O-CB 3.43Å; H133-T136 PolarHBondContact O-N 3.05Å; I134-T136 VanDerWaalsContact C-N 3.29Å; I134-T136 PolarHBondContact O-N 3.17Å; T136-Q139 PolarHBondContact O-N 3.07Å; T136-C140 PolarHBondContact O-N 3.01Å; T136-C140 PolarHBondContact O-SG 2.9Å; T136-S187 WeakPolarHBondContact CG2-OG 3.45Å |
| 137 | V | 94.4 | Very high | 87.7 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 22% | 0.218 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 175.2 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | H133 I134 L135 Q139 C140 A141 I188 | H133-V137 WeakPolarHBondContact O-CG2 3.49Å; H133-V137 PolarHBondContact O-N 3.25Å; I134-V137 PolarHBondContact O-N 3.4Å; I134-V137 VanDerWaalsContact O-N 3.17Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 2.91Å; V137-Q139 PolarHBondContact O-N 3.08Å; V137-C140 PolarHBondContact O-N 3.03Å; V137-A141 PolarHBondContact O-N 3.3Å; V137-I188 HydrophobicContact CB-CG1 4.4Å; V137-I188 HydrophobicContact CG1-CD1 4.09Å; V137-I188 HydrophobicContact CG1-CG1 3.83Å; V137-I188 HydrophobicContact CG2-CG1 3.57Å |
| 138 | L | 94.4 | Very high | 89.1 | Confident | 107 Ų | 107 | 51.3 Ų | 51.3 | 56% | 0.56 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.3 | -39.2 | 176.3 | -66.6 | 174.6 | 0 | 0 | 0 | 111.4 | I134 L135 A141 T142 | I134-L138 WeakPolarHBondContact O-CG 3.4Å; I134-L138 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.02Å; L138-A141 WeakPolarHBondContact O-CB 3.41Å; L138-A141 PolarHBondContact O-N 3.15Å; L138-T142 PolarHBondContact O-N 3.46Å |
| 139 | Q | 94.8 | Very high | 90.7 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70 | -37.1 | 177.7 | -177.8 | 158.7 | 27.1 | 0 | 0 | 113.6 | F99 G103 L135 T136 V137 A141 T142 V143 | F99-Q139 HydrophobicContact CD1-CG 4.21Å; F99-Q139 PolarHBondContact O-NE2 3.17Å; G103-Q139 VanDerWaalsContact CA-CD 3.46Å; G103-Q139 VanDerWaalsContact CA-OE1 3.23Å; G103-Q139 VanDerWaalsContact N-NE2 3.1Å; L135-Q139 VanDerWaalsContact O-CB 3.24Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-N 3.36Å; T136-Q139 PolarHBondContact O-N 3.07Å; V137-Q139 PolarHBondContact O-N 3.08Å; Q139-A141 VanDerWaalsContact C-N 3.3Å; Q139-T142 PolarHBondContact O-N 3.35Å; Q139-T142 PolarHBondContact O-OG1 2.78Å; Q139-V143 WeakPolarHBondContact O-CG2 3.11Å; Q139-V143 PolarHBondContact O-N 3.4Å |
| 140 | C | 95.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 170.9 | -66.4 | 0 | 0 | 0 | 0 | 110.6 | T136 V137 V143 I144 V180 | T136-C140 PolarHBondContact O-N 3.01Å; T136-C140 PolarHBondContact O-SG 2.9Å; V137-C140 PolarHBondContact O-N 3.03Å; C140-V143 PolarHBondContact O-N 3.47Å; C140-I144 WeakPolarHBondContact O-CB 3.46Å; C140-I144 WeakPolarHBondContact O-CD1 3.39Å; C140-I144 VanDerWaalsContact O-CG1 3.23Å; C140-I144 WeakPolarHBondContact O-CG1 3.41Å; C140-I144 PolarHBondContact O-N 3.2Å; C140-V180 HydrophobicContact CB-CG1 4.1Å |
| 141 | A | 96.7 | Very high | 92.9 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 51% | 0.512 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | V137 L138 Q139 I144 G145 | V137-A141 PolarHBondContact O-N 3.3Å; L138-A141 WeakPolarHBondContact O-CB 3.41Å; L138-A141 PolarHBondContact O-N 3.15Å; Q139-A141 VanDerWaalsContact C-N 3.3Å; A141-I144 PolarHBondContact O-N 3.4Å; A141-G145 PolarHBondContact O-N 2.84Å |
| 142 | T | 96.1 | Very high | 93.5 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.3 | -40.6 | 175 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | L138 Q139 I144 G145 F146 | L138-T142 PolarHBondContact O-N 3.46Å; Q139-T142 PolarHBondContact O-N 3.35Å; Q139-T142 PolarHBondContact O-OG1 2.78Å; T142-I144 PolarHBondContact O-N 2.9Å; T142-G145 PolarHBondContact O-N 3.46Å; T142-F146 WeakPolarHBondContact O-CD2 3.49Å; T142-F146 WeakPolarHBondContact O-CG 3.26Å; T142-F146 PolarHBondContact O-N 3.01Å |
| 143 | V | 96 | Very high | 94 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 173.9 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | W53 I96 F99 Q139 C140 G145 F146 C147 V180 | W53-V143 HydrophobicContact CZ3-CG1 4.1Å; I96-V143 HydrophobicContact CG2-CG1 3.95Å; F99-V143 HydrophobicContact CB-CG2 3.66Å; Q139-V143 WeakPolarHBondContact O-CG2 3.11Å; Q139-V143 PolarHBondContact O-N 3.4Å; C140-V143 PolarHBondContact O-N 3.47Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.14Å; V143-F146 PolarHBondContact O-N 3.3Å; V143-C147 PolarHBondContact O-N 3.03Å; V143-C147 PolarHBondContact O-SG 3.38Å; V143-V180 HydrophobicContact CB-CG1 4.15Å; V143-V180 HydrophobicContact CG1-CG1 3.83Å; V143-V180 HydrophobicContact CG1-CG2 4.25Å |
| 144 | I | 95.7 | Very high | 94.2 | Very high | 52 Ų | 52 | 47 Ų | 47 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 175.7 | -73.8 | 164.5 | 0 | 0 | 0 | 111 | C140 A141 T142 C147 Y148 F177 V180 A181 | C140-I144 WeakPolarHBondContact O-CB 3.46Å; C140-I144 WeakPolarHBondContact O-CD1 3.39Å; C140-I144 VanDerWaalsContact O-CG1 3.23Å; C140-I144 WeakPolarHBondContact O-CG1 3.41Å; C140-I144 PolarHBondContact O-N 3.2Å; A141-I144 PolarHBondContact O-N 3.4Å; T142-I144 PolarHBondContact O-N 2.9Å; I144-C147 WeakPolarHBondContact O-CB 3.48Å; I144-C147 PolarHBondContact O-N 3.32Å; I144-Y148 PolarHBondContact O-N 3.15Å; I144-F177 HydrophobicContact CB-CE2 4.33Å; I144-F177 HydrophobicContact CG1-CE2 4.2Å; I144-F177 HydrophobicContact CG2-CE2 3.88Å; I144-F177 HydrophobicContact CG2-CZ 4.03Å; I144-V180 HydrophobicContact CG1-CG1 4.37Å; I144-A181 HydrophobicContact CD1-CB 4.04Å |
| 145 | G | 96.5 | Very high | 94.3 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A141 T142 V143 Y148 W149 | A141-G145 PolarHBondContact O-N 2.84Å; T142-G145 PolarHBondContact O-N 3.46Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.14Å; G145-Y148 PolarHBondContact O-N 2.96Å; G145-W149 PolarHBondContact O-N 3.17Å |
| 146 | F | 95.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -34.8 | 174.3 | -65.8 | -44.5 | 0 | 0 | 0 | 112.7 | L92 V95 I96 F99 T142 V143 W149 A150 | L92-F146 HydrophobicContact CD2-CD1 4.35Å; V95-F146 HydrophobicContact CG1-CD2 4.29Å; V95-F146 HydrophobicContact CG1-CE2 4.04Å; V95-F146 HydrophobicContact CG1-CZ 4.45Å; I96-F146 HydrophobicContact CD1-CB 3.82Å; I96-F146 HydrophobicContact CG1-CB 3.55Å; I96-F146 HydrophobicContact CG1-CG 4.48Å; F99-F146 HydrophobicContact CD2-CD2 4.48Å; F99-F146 AromaticContact CD2-CE2 3.97Å; F99-F146 HydrophobicContact CD2-CE2 3.97Å; F99-F146 AromaticContact CE2-CE2 3.78Å; F99-F146 HydrophobicContact CE2-CE2 3.78Å; F99-F146 HydrophobicContact CE2-CZ 4.48Å; F99-F146 HydrophobicContact CZ-CE2 4.45Å; T142-F146 WeakPolarHBondContact O-CD2 3.49Å; T142-F146 WeakPolarHBondContact O-CG 3.26Å; T142-F146 PolarHBondContact O-N 3.01Å; V143-F146 PolarHBondContact O-N 3.3Å; F146-W149 HydrophobicContact CD1-CE3 4.3Å; F146-W149 PolarHBondContact O-N 3.11Å; F146-A150 WeakPolarHBondContact O-CB 3.38Å; F146-A150 PolarHBondContact O-N 2.97Å |
| 147 | C | 94.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.034 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | 174.6 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | V143 I144 A150 S151 F173 F177 | V143-C147 PolarHBondContact O-N 3.03Å; V143-C147 PolarHBondContact O-SG 3.38Å; I144-C147 WeakPolarHBondContact O-CB 3.48Å; I144-C147 PolarHBondContact O-N 3.32Å; C147-A150 PolarHBondContact O-N 3.34Å; C147-S151 PolarHBondContact O-N 2.96Å; C147-S151 PolarHBondContact O-OG 3.24Å; C147-F173 HydrophobicContact CB-CE1 4.41Å; C147-F177 HydrophobicContact CB-CD2 3.8Å; C147-F177 HydrophobicContact CB-CE2 4.12Å |
| 148 | Y | 95.6 | Very high | 94.2 | Very high | 135 Ų | 135 | 44.5 Ų | 44.5 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 173.9 | 178.8 | -91.5 | 0 | 0 | 0 | 111.6 | I144 G145 A150 S151 E152 F173 | I144-Y148 PolarHBondContact O-N 3.15Å; G145-Y148 PolarHBondContact O-N 2.96Å; Y148-A150 VanDerWaalsContact C-N 3.34Å; Y148-A150 PolarHBondContact O-N 2.65Å; Y148-S151 WeakPolarHBondContact CA-OG 3.46Å; Y148-S151 PolarHBondContact O-N 3.18Å; Y148-S151 VanDerWaalsContact O-N 3.17Å; Y148-S151 PolarHBondContact O-OG 3.13Å; Y148-E152 HydrophobicContact CD1-CG 4.46Å; Y148-E152 HydrophobicContact CE1-CG 3.93Å; Y148-E152 PolarHBondContact O-N 2.88Å; Y148-E152 VanDerWaalsContact O-N 3.08Å; Y148-F173 HydrophobicContact CD2-CZ 4.17Å |
| 149 | W | 96.3 | Very high | 93.9 | Very high | 148 Ų | 148 | 44 Ų | 44 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.5 | -42.2 | 177.9 | -166.3 | 1.8 | 0 | 0 | 0 | 111.8 | L92 G145 F146 S151 E152 L153 | L92-W149 HydrophobicContact CD1-CB 4.47Å; L92-W149 HydrophobicContact CD1-CD2 4.34Å; L92-W149 HydrophobicContact CD1-CG 4.17Å; L92-W149 HydrophobicContact CD2-CE3 4.39Å; G145-W149 PolarHBondContact O-N 3.17Å; F146-W149 HydrophobicContact CD1-CE3 4.3Å; F146-W149 PolarHBondContact O-N 3.11Å; W149-S151 PolarHBondContact O-N 3.33Å; W149-E152 PolarHBondContact O-N 3.34Å; W149-L153 HydrophobicContact CG-CD1 4.37Å; W149-L153 VanDerWaalsContact NE1-CD1 3.34Å; W149-L153 VanDerWaalsContact O-CD1 3.3Å; W149-L153 WeakPolarHBondContact O-CD1 3.5Å; W149-L153 PolarHBondContact O-N 2.98Å; W149-L153 VanDerWaalsContact O-N 3.07Å |
| 150 | A | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T89 L92 I93 F146 C147 Y148 L153 I154 | T89-A150 HydrophobicContact CG2-CB 4.49Å; L92-A150 HydrophobicContact CB-CB 4.43Å; L92-A150 HydrophobicContact CD1-CB 4.39Å; I93-A150 HydrophobicContact CG1-CB 4.46Å; F146-A150 WeakPolarHBondContact O-CB 3.38Å; F146-A150 PolarHBondContact O-N 2.97Å; C147-A150 PolarHBondContact O-N 3.34Å; Y148-A150 VanDerWaalsContact C-N 3.34Å; Y148-A150 PolarHBondContact O-N 2.65Å; A150-L153 PolarHBondContact O-N 3.29Å; A150-I154 VanDerWaalsContact O-CG1 3.31Å; A150-I154 WeakPolarHBondContact O-CG1 3.24Å; A150-I154 PolarHBondContact O-N 3.17Å |
| 151 | S | 93.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 176 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | C147 Y148 W149 I154 L155 F173 | C147-S151 PolarHBondContact O-N 2.96Å; C147-S151 PolarHBondContact O-OG 3.24Å; Y148-S151 WeakPolarHBondContact CA-OG 3.46Å; Y148-S151 PolarHBondContact O-N 3.18Å; Y148-S151 VanDerWaalsContact O-N 3.17Å; Y148-S151 PolarHBondContact O-OG 3.13Å; W149-S151 PolarHBondContact O-N 3.33Å; S151-I154 PolarHBondContact O-N 3.46Å; S151-L155 VanDerWaalsContact O-CB 3.31Å; S151-L155 WeakPolarHBondContact O-CB 3.18Å; S151-L155 PolarHBondContact O-N 3.42Å; S151-F173 WeakPolarHBondContact OG-CZ 3.32Å |
| 152 | E | 94.3 | Very high | 92.4 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67 | -36.6 | 174.6 | -73.3 | -60.8 | 136.8 | 0 | 0 | 112.2 | Y148 W149 L155 S156 | Y148-E152 HydrophobicContact CD1-CG 4.46Å; Y148-E152 HydrophobicContact CE1-CG 3.93Å; Y148-E152 PolarHBondContact O-N 2.88Å; Y148-E152 VanDerWaalsContact O-N 3.08Å; W149-E152 PolarHBondContact O-N 3.34Å; E152-L155 PolarHBondContact O-N 3.44Å; E152-S156 WeakPolarHBondContact O-CB 3.43Å; E152-S156 PolarHBondContact O-N 3.22Å; E152-S156 PolarHBondContact O-OG 2.72Å |
| 153 | L | 93.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 57.6 Ų | 57.6 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 172.7 | -96.2 | 75.8 | 0 | 0 | 0 | 112.3 | Q88 L92 W149 A150 S156 L157 | Q88-L153 HydrophobicContact CB-CD2 3.66Å; L92-L153 HydrophobicContact CD1-CD1 4.48Å; L92-L153 HydrophobicContact CD1-CD2 4.15Å; W149-L153 HydrophobicContact CG-CD1 4.37Å; W149-L153 VanDerWaalsContact NE1-CD1 3.34Å; W149-L153 VanDerWaalsContact O-CD1 3.3Å; W149-L153 WeakPolarHBondContact O-CD1 3.5Å; W149-L153 PolarHBondContact O-N 2.98Å; W149-L153 VanDerWaalsContact O-N 3.07Å; A150-L153 PolarHBondContact O-N 3.29Å; L153-S156 WeakPolarHBondContact CA-OG 3.5Å; L153-S156 PolarHBondContact O-OG 2.89Å; L153-S156 VanDerWaalsContact O-OG 3.12Å; L153-L157 VanDerWaalsContact O-CB 3.26Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 PolarHBondContact O-N 3.41Å; L153-L157 VanDerWaalsContact O-N 3.1Å |
| 154 | I | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 177.6 | -65.5 | 162.3 | 0 | 0 | 0 | 110.3 | V54 V56 L66 T89 A150 S151 L157 Q158 V171 | V54-I154 HydrophobicContact CG1-CD1 4.14Å; V56-I154 HydrophobicContact CG2-CG2 3.65Å; L66-I154 HydrophobicContact CD1-CD1 4.23Å; T89-I154 HydrophobicContact CG2-CD1 3.82Å; T89-I154 HydrophobicContact CG2-CG1 3.59Å; A150-I154 VanDerWaalsContact O-CG1 3.31Å; A150-I154 WeakPolarHBondContact O-CG1 3.24Å; A150-I154 PolarHBondContact O-N 3.17Å; S151-I154 PolarHBondContact O-N 3.46Å; I154-L157 PolarHBondContact O-N 2.94Å; I154-Q158 WeakPolarHBondContact O-CB 3.36Å; I154-Q158 WeakPolarHBondContact O-CG 3.36Å; I154-Q158 PolarHBondContact O-N 3.17Å; I154-V171 HydrophobicContact CG2-CG2 4.11Å |
| 155 | L | 92.1 | Very high | 89.6 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 179.3 | -178.6 | 61.2 | 0 | 0 | 0 | 111.5 | S151 E152 L157 Q158 Q159 I169 V171 | S151-L155 VanDerWaalsContact O-CB 3.31Å; S151-L155 WeakPolarHBondContact O-CB 3.18Å; S151-L155 PolarHBondContact O-N 3.42Å; E152-L155 PolarHBondContact O-N 3.44Å; L155-L157 PolarHBondContact O-N 3.02Å; L155-Q158 PolarHBondContact O-N 2.82Å; L155-Q159 HydrophobicContact CD1-CG 4.21Å; L155-Q159 HydrophobicContact CG-CG 4.43Å; L155-Q159 WeakPolarHBondContact O-CB 3.23Å; L155-Q159 VanDerWaalsContact O-CG 3.25Å; L155-Q159 WeakPolarHBondContact O-CG 3.43Å; L155-Q159 PolarHBondContact O-N 3Å; L155-I169 HydrophobicContact CD1-CG2 4.3Å; L155-V171 HydrophobicContact CB-CG2 3.91Å; L155-V171 HydrophobicContact CD1-CG2 4.16Å |
| 156 | S | 91.5 | Very high | 88.6 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 178.5 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | E152 L153 Q159 Q160 | E152-S156 WeakPolarHBondContact O-CB 3.43Å; E152-S156 PolarHBondContact O-N 3.22Å; E152-S156 PolarHBondContact O-OG 2.72Å; L153-S156 WeakPolarHBondContact CA-OG 3.5Å; L153-S156 PolarHBondContact O-OG 2.89Å; L153-S156 VanDerWaalsContact O-OG 3.12Å; S156-Q159 PolarHBondContact O-N 3.42Å; S156-Q160 PolarHBondContact O-N 2.87Å |
| 157 | L | 90.9 | Very high | 87.9 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 174.3 | -176.1 | 64.7 | 0 | 0 | 0 | 112 | Y83 N86 L153 I154 L155 Q159 Q160 H161 | Y83-L157 WeakPolarHBondContact O-CD2 3.41Å; Y83-L157 WeakPolarHBondContact O-CG 3.32Å; N86-L157 HydrophobicContact CB-CD2 4.09Å; L153-L157 VanDerWaalsContact O-CB 3.26Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 PolarHBondContact O-N 3.41Å; L153-L157 VanDerWaalsContact O-N 3.1Å; I154-L157 PolarHBondContact O-N 2.94Å; L155-L157 PolarHBondContact O-N 3.02Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 2.91Å; L157-Q160 PolarHBondContact O-N 3.45Å; L157-H161 PolarHBondContact O-CD2 3.29Å; L157-H161 PolarHBondContact O-N 2.9Å; L157-H161 VanDerWaalsContact O-N 3.08Å |
| 158 | Q | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.2 | -30.2 | 178.2 | -72.3 | -72.7 | -56.7 | 0 | 0 | 112.8 | V56 G59 T60 Y83 I154 L155 Q160 H161 K162 I169 | V56-Q158 HydrophobicContact CG1-CG 4.44Å; G59-Q158 VanDerWaalsContact CA-OE1 3.24Å; T60-Q158 PolarHBondContact OG1-NE2 3.25Å; T60-Q158 PolarHBondContact OG1-OE1 2.99Å; Y83-Q158 VanDerWaalsContact C-NE2 3.34Å; Y83-Q158 PolarHBondContact O-NE2 3.07Å; I154-Q158 WeakPolarHBondContact O-CB 3.36Å; I154-Q158 WeakPolarHBondContact O-CG 3.36Å; I154-Q158 PolarHBondContact O-N 3.17Å; L155-Q158 PolarHBondContact O-N 2.82Å; Q158-Q160 VanDerWaalsContact C-N 3.34Å; Q158-H161 CarbonylContact O-C 3.43Å; Q158-H161 PolarHBondContact O-N 2.96Å; Q158-K162 PolarHBondContact O-N 3.42Å; Q158-I169 HydrophobicContact CB-CD1 4.32Å; Q158-I169 HydrophobicContact CB-CG2 3.87Å; Q158-I169 VanDerWaalsContact O-CD1 3.3Å; Q158-I169 WeakPolarHBondContact O-CD1 3.22Å |
| 159 | Q | 88.6 | Confident | 87.2 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.3 | -27.7 | 172.7 | -77.5 | -177.2 | 11.5 | 0 | 0 | 113.3 | L155 S156 L157 K162 | L155-Q159 HydrophobicContact CD1-CG 4.21Å; L155-Q159 HydrophobicContact CG-CG 4.43Å; L155-Q159 WeakPolarHBondContact O-CB 3.23Å; L155-Q159 VanDerWaalsContact O-CG 3.25Å; L155-Q159 WeakPolarHBondContact O-CG 3.43Å; L155-Q159 PolarHBondContact O-N 3Å; S156-Q159 PolarHBondContact O-N 3.42Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 2.91Å; Q159-K162 VanDerWaalsContact O-CE 3.26Å; Q159-K162 WeakPolarHBondContact O-CE 3.32Å; Q159-K162 WeakPolarHBondContact O-CG 3.49Å |
| 160 | Q | 87.9 | Confident | 86.9 | Confident | 153 Ų | 153 | 72.4 Ų | 72.4 | 72% | 0.715 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -76.3 | -37.3 | 171.9 | -177.9 | 174.3 | -22.7 | 0 | 0 | 111.5 | S156 L157 Q158 | S156-Q160 PolarHBondContact O-N 2.87Å; L157-Q160 PolarHBondContact O-N 3.45Å; Q158-Q160 VanDerWaalsContact C-N 3.34Å |
| 161 | H | 85.7 | Confident | 86.8 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 25% | 0.25 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -104.3 | 50.1 | -176.5 | -68.1 | -95 | 0 | 0 | 0 | 113.2 | T60 Y83 L157 Q158 K163 | T60-H161 WeakPolarHBondContact CG2-O 3.2Å; Y83-H161 AromaticContact CD1-CE1 3.62Å; Y83-H161 AromaticContact CD1-CG 3.96Å; Y83-H161 AromaticContact CD1-ND1 3.7Å; Y83-H161 AromaticContact CD1-NE2 3.84Å; Y83-H161 HydrophobicContact CD2-CB 4.1Å; Y83-H161 AromaticContact CD2-CG 3.85Å; Y83-H161 AromaticContact CD2-ND1 3.5Å; Y83-H161 AromaticContact CE1-CE1 3.36Å; Y83-H161 WeakPolarHBondContact CE1-CE1 3.24Å; Y83-H161 AromaticContact CE1-ND1 3.68Å; Y83-H161 AromaticContact CE1-NE2 3.93Å; Y83-H161 AromaticContact CE2-CE1 3.97Å; Y83-H161 AromaticContact CE2-ND1 3.47Å; Y83-H161 WeakPolarHBondContact CE2-ND1 3.27Å; Y83-H161 HydrophobicContact CG-CB 4.1Å; Y83-H161 AromaticContact CG-CG 3.68Å; Y83-H161 AromaticContact CG-ND1 3.62Å; Y83-H161 AromaticContact CZ-CE1 3.56Å; Y83-H161 AromaticContact CZ-ND1 3.56Å; L157-H161 PolarHBondContact O-CD2 3.29Å; L157-H161 PolarHBondContact O-N 2.9Å; L157-H161 VanDerWaalsContact O-N 3.08Å; Q158-H161 CarbonylContact O-C 3.43Å; Q158-H161 PolarHBondContact O-N 2.96Å; H161-K163 PolarHBondContact O-N 2.79Å |
| 162 | K | 81.1 | Confident | 86.9 | Confident | 104 Ų | 104 | 75.5 Ų | 75.5 | 45% | 0.452 | 38% | 0.382 | S | S | . | . | trans | -66.8 | 124.2 | -178.9 | -64.4 | -174.4 | -177.2 | -177.6 | 0 | 112.5 | Q158 Q159 Y164 I169 | Q158-K162 PolarHBondContact O-N 3.42Å; Q159-K162 VanDerWaalsContact O-CE 3.26Å; Q159-K162 WeakPolarHBondContact O-CE 3.32Å; Q159-K162 WeakPolarHBondContact O-CG 3.49Å; K162-Y164 VanDerWaalsContact C-N 3.34Å; K162-Y164 PolarHBondContact O-N 2.94Å; K162-I169 HydrophobicContact CG-CD1 3.89Å | ||
| 163 | K | 75.2 | Confident | 86.9 | Confident | 125 Ų | 125 | 74 Ų | 74 | 54% | 0.543 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -63.7 | -34.7 | 175.2 | -164.7 | 169.8 | -177.2 | 164.1 | 0 | 113.9 | T60 H161 | T60-K163 HydrophobicContact CG2-CB 3.83Å; T60-K163 HydrophobicContact CG2-CG 4.34Å; H161-K163 PolarHBondContact O-N 2.79Å |
| 164 | Y | 78.8 | Confident | 87 | Confident | 159 Ų | 159 | 72.3 Ų | 72.3 | 62% | 0.624 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -137.7 | 138.8 | 179.4 | -60.6 | -75.1 | 0 | 0 | 0 | 111.1 | K162 G166 S167 | K162-Y164 VanDerWaalsContact C-N 3.34Å; K162-Y164 PolarHBondContact O-N 2.94Å; Y164-G166 PolarHBondContact O-N 3.03Å; Y164-S167 WeakPolarHBondContact O-CB 3.35Å; Y164-S167 PolarHBondContact O-N 3.31Å; Y164-S167 VanDerWaalsContact O-N 3.14Å; Y164-S167 PolarHBondContact O-OG 3.43Å |
| 165 | H | 75.3 | Confident | 87.1 | Confident | 209 Ų | 209 | 76.5 Ų | 76.5 | 97% | 0.968 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 125.1 | 174.8 | -124.4 | 75.1 | 0 | 0 | 0 | 109.8 | ||
| 166 | G | 75.6 | Confident | 87.2 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 0.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y164 L168 | Y164-G166 PolarHBondContact O-N 3.03Å; G166-L168 PolarHBondContact O-N 2.94Å |
| 167 | S | 81.8 | Confident | 87.4 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | trans | -63.7 | 129.8 | 172.3 | 55 | 0 | 0 | 0 | 0 | 111.7 | Y164 | Y164-S167 WeakPolarHBondContact O-CB 3.35Å; Y164-S167 PolarHBondContact O-N 3.31Å; Y164-S167 VanDerWaalsContact O-N 3.14Å; Y164-S167 PolarHBondContact O-OG 3.43Å | ||
| 168 | L | 84.6 | Confident | 87.6 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 72% | 0.723 | 38% | 0.384 | S | S | * | . | trans | -78.4 | 122.1 | 173.3 | -172.3 | 114.6 | 0 | 0 | 0 | 108.7 | G166 Y170 | G166-L168 PolarHBondContact O-N 2.94Å; L168-Y170 HydrophobicContact CD2-CD1 3.49Å; L168-Y170 VanDerWaalsContact CD2-CD1 3.49Å; L168-Y170 HydrophobicContact CD2-CE1 3.69Å; L168-Y170 HydrophobicContact CG-CD1 4.42Å | ||
| 169 | I | 90.1 | Very high | 88 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 9% | 0.087 | 39% | 0.394 | C | S | . | . | trans | -122.2 | 129.4 | 178 | -57.3 | 178.1 | 0 | 0 | 0 | 107.3 | H57 L155 Q158 K162 | H57-I169 WeakPolarHBondContact O-CA 3.32Å; L155-I169 HydrophobicContact CD1-CG2 4.3Å; Q158-I169 HydrophobicContact CB-CD1 4.32Å; Q158-I169 HydrophobicContact CB-CG2 3.87Å; Q158-I169 VanDerWaalsContact O-CD1 3.3Å; Q158-I169 WeakPolarHBondContact O-CD1 3.22Å; K162-I169 HydrophobicContact CG-CD1 3.89Å | ||
| 170 | Y | 90.2 | Very high | 88.3 | Confident | 108 Ų | 108 | 76 Ų | 76 | 42% | 0.424 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 154.4 | 176 | 63.4 | -78.5 | 0 | 0 | 0 | 110.6 | H57 L168 T172 | H57-Y170 HydrophobicContact CB-CD1 3.85Å; H57-Y170 HydrophobicContact CB-CD2 4.17Å; H57-Y170 HydrophobicContact CB-CE1 3.45Å; H57-Y170 VanDerWaalsContact CB-CE1 3.45Å; H57-Y170 HydrophobicContact CB-CE2 3.79Å; H57-Y170 HydrophobicContact CB-CG 4.19Å; H57-Y170 VanDerWaalsContact CB-CZ 3.4Å; H57-Y170 AromaticContact CD2-CD2 3.76Å; H57-Y170 AromaticContact CD2-CE2 3.31Å; H57-Y170 WeakPolarHBondContact CD2-CE2 3.46Å; H57-Y170 AromaticContact CD2-CZ 3.78Å; H57-Y170 AromaticContact CG-CE2 3.5Å; H57-Y170 AromaticContact CG-CZ 3.44Å; H57-Y170 VanDerWaalsContact CG-CZ 3.44Å; H57-Y170 PolarHBondContact N-O 3.45Å; H57-Y170 AromaticContact ND1-CZ 3.95Å; H57-Y170 AromaticContact NE2-CE2 3.89Å; H57-Y170 PolarHBondContact O-N 2.94Å; L168-Y170 HydrophobicContact CD2-CD1 3.49Å; L168-Y170 VanDerWaalsContact CD2-CD1 3.49Å; L168-Y170 HydrophobicContact CD2-CE1 3.69Å; L168-Y170 HydrophobicContact CG-CD1 4.42Å; Y170-T172 HydrophobicContact CD2-CG2 3.74Å; Y170-T172 HydrophobicContact CE2-CG2 3.81Å |
| 171 | V | 92.6 | Very high | 88.7 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.7 | -178.2 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | V54 V56 I154 L155 | V54-V171 HydrophobicContact CG1-CG1 3.19Å; V56-V171 HydrophobicContact CG2-CG2 4.43Å; I154-V171 HydrophobicContact CG2-CG2 4.11Å; L155-V171 HydrophobicContact CB-CG2 3.91Å; L155-V171 HydrophobicContact CD1-CG2 4.16Å |
| 172 | T | 93.8 | Very high | 89.2 | Confident | 43 Ų | 43 | 70 Ų | 70 | 26% | 0.264 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.7 | -179.2 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | R55 H57 Y170 | R55-T172 PolarHBondContact N-O 3.06Å; R55-T172 PolarHBondContact O-N 3.5Å; R55-T172 PolarHBondContact O-OG1 3.21Å; H57-T172 PolarHBondContact CD2-OG1 3.25Å; H57-T172 PolarHBondContact NE2-OG1 3.47Å; Y170-T172 HydrophobicContact CD2-CG2 3.74Å; Y170-T172 HydrophobicContact CE2-CG2 3.81Å |
| 173 | F | 94.9 | Very high | 90 | Very high | 51 Ų | 51 | 65.1 Ų | 65.1 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 145.8 | 171.2 | -59.2 | -62.5 | 0 | 0 | 0 | 111.2 | C147 Y148 S151 F177 Y178 | C147-F173 HydrophobicContact CB-CE1 4.41Å; Y148-F173 HydrophobicContact CD2-CZ 4.17Å; S151-F173 WeakPolarHBondContact OG-CZ 3.32Å; F173-F177 HydrophobicContact CB-CB 3.89Å; F173-F177 HydrophobicContact CB-CD1 3.57Å; F173-F177 HydrophobicContact CB-CD2 4.3Å; F173-F177 HydrophobicContact CB-CE1 4.15Å; F173-F177 HydrophobicContact CB-CG 3.66Å; F173-F177 HydrophobicContact CD1-CB 4.35Å; F173-F177 HydrophobicContact CD1-CD1 4.38Å; F173-F177 AromaticContact CD1-CD2 3.63Å; F173-F177 HydrophobicContact CD1-CD2 3.63Å; F173-F177 AromaticContact CD1-CE2 3.92Å; F173-F177 HydrophobicContact CD1-CE2 3.92Å; F173-F177 AromaticContact CD1-CG 3.88Å; F173-F177 HydrophobicContact CD1-CG 3.88Å; F173-F177 HydrophobicContact CD1-CZ 4.44Å; F173-F177 HydrophobicContact CD2-CD1 4.26Å; F173-F177 AromaticContact CD2-CE1 3.99Å; F173-F177 HydrophobicContact CD2-CE1 3.99Å; F173-F177 HydrophobicContact CD2-CE2 4.27Å; F173-F177 AromaticContact CD2-CZ 3.99Å; F173-F177 HydrophobicContact CD2-CZ 3.99Å; F173-F177 HydrophobicContact CE1-CD2 4.13Å; F173-F177 HydrophobicContact CE1-CE2 4.07Å; F173-F177 HydrophobicContact CE2-CE2 4.39Å; F173-F177 HydrophobicContact CE2-CZ 4.24Å; F173-F177 HydrophobicContact CG-CB 4.37Å; F173-F177 AromaticContact CG-CD1 3.81Å; F173-F177 HydrophobicContact CG-CD1 3.81Å; F173-F177 AromaticContact CG-CD2 3.89Å; F173-F177 HydrophobicContact CG-CD2 3.89Å; F173-F177 AromaticContact CG-CE1 3.99Å; F173-F177 HydrophobicContact CG-CE1 3.99Å; F173-F177 HydrophobicContact CG-CE2 4.05Å; F173-F177 AromaticContact CG-CG 3.76Å; F173-F177 HydrophobicContact CG-CG 3.76Å; F173-F177 HydrophobicContact CG-CZ 4.11Å; F173-F177 HydrophobicContact CZ-CE2 4.31Å; F173-Y178 HydrophobicContact CB-CE2 4.29Å |
| 174 | A | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | trans | -118 | -171 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A52 W53 R55 S176 F177 Y178 | A52-A174 HydrophobicContact CB-CB 4.01Å; A52-A174 CarbonylContact O-C 3.31Å; A52-A174 VanDerWaalsContact O-C 3.31Å; A52-A174 WeakPolarHBondContact O-CB 3.25Å; W53-A174 PolarHBondContact O-N 2.87Å; R55-A174 HydrophobicContact CB-CB 4.38Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.91Å; A174-F177 WeakPolarHBondContact O-CB 3.49Å; A174-F177 PolarHBondContact O-N 3.35Å; A174-F177 VanDerWaalsContact O-N 3.15Å; A174-Y178 VanDerWaalsContact O-CD2 3.24Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å | ||
| 175 | I | 93.9 | Very high | 91.7 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 45% | 0.446 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.7 | -39.1 | -161.7 | -162.5 | 63.4 | 0 | 0 | 0 | 113.5 | E50 A52 F177 Y178 L179 | E50-I175 HydrophobicContact CB-CG2 4.09Å; E50-I175 HydrophobicContact CG-CG2 4.03Å; A52-I175 HydrophobicContact CB-CG2 4.15Å; A52-I175 PolarHBondContact O-N 3.36Å; A52-I175 VanDerWaalsContact O-N 3.07Å; I175-F177 VanDerWaalsContact C-N 3.3Å; I175-F177 PolarHBondContact O-N 3.37Å; I175-Y178 PolarHBondContact O-N 2.84Å; I175-Y178 VanDerWaalsContact O-N 3.14Å; I175-L179 HydrophobicContact CG1-CD1 4.15Å; I175-L179 HydrophobicContact CG1-CG 4.34Å; I175-L179 WeakPolarHBondContact O-CG 3.31Å; I175-L179 PolarHBondContact O-N 3.23Å |
| 176 | S | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -33.7 | -177.2 | -49.2 | 0 | 0 | 0 | 0 | 112.8 | A47 E50 A52 W53 A174 L179 V180 | A47-S176 WeakPolarHBondContact O-CB 3.43Å; A47-S176 PolarHBondContact O-OG 2.94Å; E50-S176 WeakPolarHBondContact CB-OG 3.48Å; E50-S176 PolarHBondContact O-OG 2.75Å; A52-S176 PolarHBondContact O-N 3.05Å; A52-S176 VanDerWaalsContact O-N 3.08Å; A52-S176 PolarHBondContact O-OG 3.37Å; W53-S176 VanDerWaalsContact CD1-CB 3.48Å; W53-S176 PolarHBondContact NE1-OG 3.37Å; A174-S176 VanDerWaalsContact C-N 3.31Å; A174-S176 PolarHBondContact O-N 2.91Å; S176-L179 PolarHBondContact O-N 2.93Å; S176-V180 WeakPolarHBondContact O-CG2 3.47Å; S176-V180 PolarHBondContact O-N 3.46Å |
| 177 | F | 95.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 173.7 | 173.8 | -90.3 | 0 | 0 | 0 | 111.5 | I144 C147 F173 A174 I175 L179 V180 A181 | I144-F177 HydrophobicContact CB-CE2 4.33Å; I144-F177 HydrophobicContact CG1-CE2 4.2Å; I144-F177 HydrophobicContact CG2-CE2 3.88Å; I144-F177 HydrophobicContact CG2-CZ 4.03Å; C147-F177 HydrophobicContact CB-CD2 3.8Å; C147-F177 HydrophobicContact CB-CE2 4.12Å; F173-F177 HydrophobicContact CB-CB 3.89Å; F173-F177 HydrophobicContact CB-CD1 3.57Å; F173-F177 HydrophobicContact CB-CD2 4.3Å; F173-F177 HydrophobicContact CB-CE1 4.15Å; F173-F177 HydrophobicContact CB-CG 3.66Å; F173-F177 HydrophobicContact CD1-CB 4.35Å; F173-F177 HydrophobicContact CD1-CD1 4.38Å; F173-F177 AromaticContact CD1-CD2 3.63Å; F173-F177 HydrophobicContact CD1-CD2 3.63Å; F173-F177 AromaticContact CD1-CE2 3.92Å; F173-F177 HydrophobicContact CD1-CE2 3.92Å; F173-F177 AromaticContact CD1-CG 3.88Å; F173-F177 HydrophobicContact CD1-CG 3.88Å; F173-F177 HydrophobicContact CD1-CZ 4.44Å; F173-F177 HydrophobicContact CD2-CD1 4.26Å; F173-F177 AromaticContact CD2-CE1 3.99Å; F173-F177 HydrophobicContact CD2-CE1 3.99Å; F173-F177 HydrophobicContact CD2-CE2 4.27Å; F173-F177 AromaticContact CD2-CZ 3.99Å; F173-F177 HydrophobicContact CD2-CZ 3.99Å; F173-F177 HydrophobicContact CE1-CD2 4.13Å; F173-F177 HydrophobicContact CE1-CE2 4.07Å; F173-F177 HydrophobicContact CE2-CE2 4.39Å; F173-F177 HydrophobicContact CE2-CZ 4.24Å; F173-F177 HydrophobicContact CG-CB 4.37Å; F173-F177 AromaticContact CG-CD1 3.81Å; F173-F177 HydrophobicContact CG-CD1 3.81Å; F173-F177 AromaticContact CG-CD2 3.89Å; F173-F177 HydrophobicContact CG-CD2 3.89Å; F173-F177 AromaticContact CG-CE1 3.99Å; F173-F177 HydrophobicContact CG-CE1 3.99Å; F173-F177 HydrophobicContact CG-CE2 4.05Å; F173-F177 AromaticContact CG-CG 3.76Å; F173-F177 HydrophobicContact CG-CG 3.76Å; F173-F177 HydrophobicContact CG-CZ 4.11Å; F173-F177 HydrophobicContact CZ-CE2 4.31Å; A174-F177 WeakPolarHBondContact O-CB 3.49Å; A174-F177 PolarHBondContact O-N 3.35Å; A174-F177 VanDerWaalsContact O-N 3.15Å; I175-F177 VanDerWaalsContact C-N 3.3Å; I175-F177 PolarHBondContact O-N 3.37Å; F177-L179 VanDerWaalsContact C-N 3.31Å; F177-L179 PolarHBondContact O-N 3.44Å; F177-V180 PolarHBondContact O-N 3.47Å; F177-A181 PolarHBondContact O-N 2.97Å |
| 178 | Y | 96.4 | Very high | 93.9 | Very high | 137 Ų | 137 | 43.4 Ų | 43.4 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.6 | -30.9 | 178.6 | -62.4 | -67.8 | 0 | 0 | 0 | 112.3 | F173 A174 I175 A181 G182 | F173-Y178 HydrophobicContact CB-CE2 4.29Å; A174-Y178 VanDerWaalsContact O-CD2 3.24Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å; I175-Y178 PolarHBondContact O-N 2.84Å; I175-Y178 VanDerWaalsContact O-N 3.14Å; Y178-A181 PolarHBondContact O-N 3.36Å; Y178-G182 PolarHBondContact O-N 3.06Å |
| 179 | L | 96.4 | Very high | 94.2 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | 171.9 | -73 | 169.2 | 0 | 0 | 0 | 112.1 | A43 T46 A47 I175 S176 F177 G182 A183 | A43-L179 HydrophobicContact CB-CD2 4.37Å; T46-L179 HydrophobicContact CG2-CD1 3.61Å; A47-L179 HydrophobicContact CB-CB 3.89Å; A47-L179 HydrophobicContact CB-CD1 4.46Å; I175-L179 HydrophobicContact CG1-CD1 4.15Å; I175-L179 HydrophobicContact CG1-CG 4.34Å; I175-L179 WeakPolarHBondContact O-CG 3.31Å; I175-L179 PolarHBondContact O-N 3.23Å; S176-L179 PolarHBondContact O-N 2.93Å; F177-L179 VanDerWaalsContact C-N 3.31Å; F177-L179 PolarHBondContact O-N 3.44Å; L179-G182 PolarHBondContact O-N 3.39Å; L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 2.92Å |
| 180 | V | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | L44 A47 W53 C140 V143 I144 S176 F177 A183 G184 | L44-V180 HydrophobicContact CD2-CG2 4.28Å; A47-V180 HydrophobicContact CB-CG2 3.86Å; W53-V180 HydrophobicContact CH2-CG2 3.82Å; W53-V180 HydrophobicContact CZ3-CG2 4.07Å; C140-V180 HydrophobicContact CB-CG1 4.1Å; V143-V180 HydrophobicContact CB-CG1 4.15Å; V143-V180 HydrophobicContact CG1-CG1 3.83Å; V143-V180 HydrophobicContact CG1-CG2 4.25Å; I144-V180 HydrophobicContact CG1-CG1 4.37Å; S176-V180 WeakPolarHBondContact O-CG2 3.47Å; S176-V180 PolarHBondContact O-N 3.46Å; F177-V180 PolarHBondContact O-N 3.47Å; V180-A183 WeakPolarHBondContact O-CB 3.37Å; V180-A183 PolarHBondContact O-N 3.23Å; V180-G184 PolarHBondContact O-N 3.21Å |
| 181 | A | 96.4 | Very high | 94 | Very high | 40 Ų | 40 | 37 Ų | 37 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I144 F177 Y178 G184 G185 | I144-A181 HydrophobicContact CD1-CB 4.04Å; F177-A181 PolarHBondContact O-N 2.97Å; Y178-A181 PolarHBondContact O-N 3.36Å; A181-G184 PolarHBondContact O-N 2.93Å; A181-G185 PolarHBondContact O-N 3.01Å |
| 182 | G | 96.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 42% | 0.423 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y178 L179 G185 A186 | Y178-G182 PolarHBondContact O-N 3.06Å; L179-G182 PolarHBondContact O-N 3.39Å; G182-G185 PolarHBondContact O-N 3.38Å; G182-A186 WeakPolarHBondContact O-CB 3.49Å; G182-A186 PolarHBondContact O-N 2.86Å |
| 183 | A | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S40 A43 L44 L179 V180 G185 A186 S187 | S40-A183 PolarHBondContact OG-O 2.88Å; A43-A183 HydrophobicContact CB-CB 3.96Å; L44-A183 HydrophobicContact CD2-CB 3.85Å; L44-A183 HydrophobicContact CG-CB 3.72Å; L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 2.92Å; V180-A183 WeakPolarHBondContact O-CB 3.37Å; V180-A183 PolarHBondContact O-N 3.23Å; A183-G185 VanDerWaalsContact C-N 3.33Å; A183-G185 PolarHBondContact O-N 2.91Å; A183-A186 PolarHBondContact O-N 3.18Å; A183-A186 VanDerWaalsContact O-N 3.16Å; A183-S187 PolarHBondContact O-N 2.99Å; A183-S187 PolarHBondContact O-OG 3.31Å |
| 184 | G | 95 | Very high | 92.5 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.1 | -46 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V180 A181 A186 S187 I188 | V180-G184 PolarHBondContact O-N 3.21Å; A181-G184 PolarHBondContact O-N 2.93Å; G184-A186 PolarHBondContact O-N 2.7Å; G184-S187 PolarHBondContact O-N 3.12Å; G184-I188 WeakPolarHBondContact O-CG1 3.28Å; G184-I188 PolarHBondContact O-N 2.85Å |
| 185 | G | 95.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 38.9 Ų | 38.9 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A181 G182 A183 I188 L189 | A181-G185 PolarHBondContact O-N 3.01Å; G182-G185 PolarHBondContact O-N 3.38Å; A183-G185 VanDerWaalsContact C-N 3.33Å; A183-G185 PolarHBondContact O-N 2.91Å; G185-I188 WeakPolarHBondContact O-CB 3.02Å; G185-I188 PolarHBondContact O-N 2.85Å; G185-L189 PolarHBondContact O-N 3.18Å |
| 186 | A | 93.6 | Very high | 90.9 | Very high | 14 Ų | 14 | 42 Ų | 42 | 12% | 0.116 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P36 L39 G182 A183 G184 L189 A190 | P36-A186 WeakPolarHBondContact CB-O 3.27Å; P36-A186 WeakPolarHBondContact O-CB 3.44Å; L39-A186 HydrophobicContact CB-CB 4.33Å; G182-A186 WeakPolarHBondContact O-CB 3.49Å; G182-A186 PolarHBondContact O-N 2.86Å; A183-A186 PolarHBondContact O-N 3.18Å; A183-A186 VanDerWaalsContact O-N 3.16Å; G184-A186 PolarHBondContact O-N 2.7Å; A186-L189 PolarHBondContact O-N 3.29Å; A186-A190 PolarHBondContact O-N 3.41Å |
| 187 | S | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -32 | 172.1 | -67 | 0 | 0 | 0 | 0 | 113 | S40 T136 A183 G184 A190 T191 | S40-S187 WeakPolarHBondContact CB-OG 3.28Å; S40-S187 PolarHBondContact OG-OG 3.4Å; T136-S187 WeakPolarHBondContact CG2-OG 3.45Å; A183-S187 PolarHBondContact O-N 2.99Å; A183-S187 PolarHBondContact O-OG 3.31Å; G184-S187 PolarHBondContact O-N 3.12Å; S187-A190 PolarHBondContact O-N 3.38Å; S187-T191 WeakPolarHBondContact O-CB 3.4Å; S187-T191 PolarHBondContact O-N 2.96Å; S187-T191 PolarHBondContact O-OG1 3.24Å |
| 188 | I | 93.6 | Very high | 87.9 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 169.1 | -66.2 | 168.4 | 0 | 0 | 0 | 110.1 | V137 G184 G185 T191 A192 | V137-I188 HydrophobicContact CB-CG1 4.4Å; V137-I188 HydrophobicContact CG1-CD1 4.09Å; V137-I188 HydrophobicContact CG1-CG1 3.83Å; V137-I188 HydrophobicContact CG2-CG1 3.57Å; G184-I188 WeakPolarHBondContact O-CG1 3.28Å; G184-I188 PolarHBondContact O-N 2.85Å; G185-I188 WeakPolarHBondContact O-CB 3.02Å; G185-I188 PolarHBondContact O-N 2.85Å; I188-T191 WeakPolarHBondContact O-CB 3.3Å; I188-T191 PolarHBondContact O-N 3.25Å; I188-A192 WeakPolarHBondContact O-CB 3.24Å; I188-A192 PolarHBondContact O-N 2.91Å |
| 189 | L | 91.2 | Very high | 86.1 | Confident | 111 Ų | 111 | 46.6 Ų | 46.6 | 58% | 0.581 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 176.4 | -66.9 | 175 | 0 | 0 | 0 | 112.2 | P36 G185 A186 T191 A192 A193 | P36-L189 HydrophobicContact CB-CB 3.99Å; P36-L189 HydrophobicContact CG-CB 4.19Å; G185-L189 PolarHBondContact O-N 3.18Å; A186-L189 PolarHBondContact O-N 3.29Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-A192 PolarHBondContact O-N 3.45Å; L189-A193 VanDerWaalsContact O-CB 3.32Å; L189-A193 WeakPolarHBondContact O-CB 3Å; L189-A193 PolarHBondContact O-N 3.25Å |
| 190 | A | 87.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P36 A186 S187 A193 N194 | P36-A190 HydrophobicContact CB-CB 4.06Å; A186-A190 PolarHBondContact O-N 3.41Å; S187-A190 PolarHBondContact O-N 3.38Å; A190-A193 PolarHBondContact O-N 2.99Å; A190-N194 WeakPolarHBondContact O-CB 3.36Å; A190-N194 PolarHBondContact O-N 3.5Å |
| 191 | T | 87.4 | Confident | 82.2 | Confident | 17 Ų | 17 | 49 Ų | 49 | 10% | 0.104 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 175.6 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | A130 H133 I134 S187 I188 L189 A193 N194 L195 | A130-T191 HydrophobicContact CB-CG2 3.98Å; H133-T191 WeakPolarHBondContact CB-OG1 3.38Å; I134-T191 HydrophobicContact CD1-CG2 4.13Å; I134-T191 HydrophobicContact CG1-CG2 3.66Å; S187-T191 WeakPolarHBondContact O-CB 3.4Å; S187-T191 PolarHBondContact O-N 2.96Å; S187-T191 PolarHBondContact O-OG1 3.24Å; I188-T191 WeakPolarHBondContact O-CB 3.3Å; I188-T191 PolarHBondContact O-N 3.25Å; L189-T191 VanDerWaalsContact C-N 3.34Å; T191-A193 PolarHBondContact O-N 3.26Å; T191-N194 PolarHBondContact O-N 3.08Å; T191-L195 HydrophobicContact CG2-CD1 3.8Å; T191-L195 HydrophobicContact CG2-CG 4.32Å; T191-L195 WeakPolarHBondContact O-CB 3.47Å; T191-L195 WeakPolarHBondContact O-CG 3.47Å; T191-L195 PolarHBondContact O-N 3.44Å |
| 192 | A | 86.9 | Confident | 80.3 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | I188 L189 N194 L195 L196 | I188-A192 WeakPolarHBondContact O-CB 3.24Å; I188-A192 PolarHBondContact O-N 2.91Å; L189-A192 PolarHBondContact O-N 3.45Å; A192-N194 VanDerWaalsContact C-N 3.31Å; A192-N194 PolarHBondContact O-N 2.94Å; A192-L195 PolarHBondContact O-N 2.98Å; A192-L196 VanDerWaalsContact O-CB 3.27Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 VanDerWaalsContact O-CG 3.24Å; A192-L196 WeakPolarHBondContact O-CG 3.38Å; A192-L196 PolarHBondContact O-N 2.92Å |
| 193 | A | 83.1 | Confident | 78.2 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A32 L189 A190 T191 R197 | A32-A193 WeakPolarHBondContact O-CB 3.5Å; L189-A193 VanDerWaalsContact O-CB 3.32Å; L189-A193 WeakPolarHBondContact O-CB 3Å; L189-A193 PolarHBondContact O-N 3.25Å; A190-A193 PolarHBondContact O-N 2.99Å; T191-A193 PolarHBondContact O-N 3.26Å; A193-R197 VanDerWaalsContact O-CG 3.28Å; A193-R197 WeakPolarHBondContact O-CG 3.31Å; A193-R197 PolarHBondContact O-N 3.02Å |
| 194 | N | 79.2 | Confident | 76.4 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.011 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78 | -36.2 | 176.1 | -85.2 | -16 | 0 | 0 | 0 | 113.3 | S33 D114 A130 A190 T191 A192 R197 | S33-N194 WeakPolarHBondContact CB-OD1 3.49Å; S33-N194 PolarHBondContact OG-OD1 2.98Å; D114-N194 PolarHBondContact OD1-ND2 2.91Å; D114-N194 PolarHBondContact OD2-ND2 3.26Å; A130-N194 HydrophobicContact CB-CB 4.05Å; A190-N194 WeakPolarHBondContact O-CB 3.36Å; A190-N194 PolarHBondContact O-N 3.5Å; T191-N194 PolarHBondContact O-N 3.08Å; A192-N194 VanDerWaalsContact C-N 3.31Å; A192-N194 PolarHBondContact O-N 2.94Å; N194-R197 PolarHBondContact OD1-NH1 2.98Å |
| 195 | L | 78.3 | Confident | 74.9 | Confident | 102 Ų | 102 | 65 Ų | 65 | 53% | 0.534 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.6 | -33.4 | 177.5 | -68.5 | 176.3 | 0 | 0 | 0 | 113.4 | A130 T191 A192 R197 | A130-L195 HydrophobicContact CB-CG 4.47Å; T191-L195 HydrophobicContact CG2-CD1 3.8Å; T191-L195 HydrophobicContact CG2-CG 4.32Å; T191-L195 WeakPolarHBondContact O-CB 3.47Å; T191-L195 WeakPolarHBondContact O-CG 3.47Å; T191-L195 PolarHBondContact O-N 3.44Å; A192-L195 PolarHBondContact O-N 2.98Å; L195-R197 VanDerWaalsContact C-N 3.32Å |
| 196 | L | 77.9 | Confident | 73.3 | Confident | 152 Ų | 152 | 69.2 Ų | 69.2 | 80% | 0.796 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -79.4 | -13.9 | 176.8 | -67.6 | 172.3 | 0 | 0 | 0 | 113 | A192 H198 | A192-L196 VanDerWaalsContact O-CB 3.27Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 VanDerWaalsContact O-CG 3.24Å; A192-L196 WeakPolarHBondContact O-CG 3.38Å; A192-L196 PolarHBondContact O-N 2.92Å; L196-H198 PolarHBondContact O-N 2.97Å |
| 197 | R | 68.2 | Low | 72 | Confident | 54 Ų | 54 | 70.7 Ų | 70.7 | 20% | 0.204 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -71.2 | 118.6 | 171 | -88.9 | 172.5 | 178.8 | 160.1 | -1.2 | 109.5 | R29 S30 S33 A193 N194 L195 Y199 | R29-R197 PolarHBondContact O-NE 3.28Å; R29-R197 PolarHBondContact O-NH1 2.03Å; R29-R197 PolarHBondContact O-NH2 2.85Å; S30-R197 VanDerWaalsContact C-NH2 3.28Å; S30-R197 PolarHBondContact O-NH2 3.04Å; S33-R197 VanDerWaalsContact CB-NH1 3.35Å; S33-R197 PolarHBondContact OG-NH1 3.27Å; A193-R197 VanDerWaalsContact O-CG 3.28Å; A193-R197 WeakPolarHBondContact O-CG 3.31Å; A193-R197 PolarHBondContact O-N 3.02Å; N194-R197 PolarHBondContact OD1-NH1 2.98Å; L195-R197 VanDerWaalsContact C-N 3.32Å; R197-Y199 HydrophobicContact CB-CD2 4.45Å; R197-Y199 HydrophobicContact CB-CE2 4.29Å; R197-Y199 PolarHBondContact O-N 3.49Å |
| 198 | H | 58.3 | Low | 71 | Confident | 157 Ų | 157 | 75.6 Ų | 75.6 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | trans | -65.1 | 98.2 | 170.3 | -162.5 | 69.7 | 0 | 0 | 0 | 109.5 | L196 | L196-H198 PolarHBondContact O-N 2.97Š| ||
| 199 | Y | 59.2 | Low | 70 | Confident | 50 Ų | 50 | 77 Ų | 77 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 121.4 | 165.5 | -88 | -90.6 | 0 | 0 | 0 | 108.2 | R127 R128 R197 | R127-Y199 VanDerWaalsContact CZ-OH 3.23Å; R127-Y199 PolarHBondContact NE-OH 3.15Å; R127-Y199 PolarHBondContact NH2-OH 3.2Å; R128-Y199 HydrophobicContact CG-CG 4.38Å; R128-Y199 PolarHBondContact NH2-O 3.42Å; R197-Y199 HydrophobicContact CB-CD2 4.45Å; R197-Y199 HydrophobicContact CB-CE2 4.29Å; R197-Y199 PolarHBondContact O-N 3.49Å |
| 200 | P | 54 | Low | 69.1 | Low | 36 Ų | 36 | 76.3 Ų | 76.3 | 23% | 0.234 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 144.7 | 168.5 | 20.3 | -30 | 0 | 0 | 0 | 110.1 | R128 E204 E205 | R128-P200 PolarHBondContact NH2-O 2.99Å; P200-E204 VanDerWaalsContact CA-OE2 3.23Å; P200-E204 WeakPolarHBondContact CA-OE2 3.43Å; P200-E204 HydrophobicContact CB-CB 3.54Å; P200-E205 HydrophobicContact CB-CG 4.34Å; P200-E205 HydrophobicContact CG-CG 3.9Å |
| 201 | T | 56.1 | Low | 68.5 | Low | 58 Ų | 58 | 81.1 Ų | 81.1 | 36% | 0.356 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 162.9 | 169.8 | 59.2 | 0 | 0 | 0 | 0 | 110 | E203 E204 E205 | T201-E203 PolarHBondContact O-N 3.42Å; T201-E204 PolarHBondContact N-OE2 3Å; T201-E204 PolarHBondContact O-N 2.95Å; T201-E204 PolarHBondContact OG1-N 3.44Å; T201-E204 VanDerWaalsContact OG1-N 3.11Å; T201-E205 PolarHBondContact O-N 3.47Å |
| 202 | E | 56.5 | Low | 67.9 | Low | 106 Ų | 106 | 83.2 Ų | 83.2 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -29.3 | 175.4 | -62.4 | -161.9 | 134.7 | 0 | 0 | 110.7 | E205 Q206 | E202-E205 PolarHBondContact O-N 2.79Å; E202-Q206 VanDerWaalsContact O-CB 3.25Å; E202-Q206 WeakPolarHBondContact O-CB 3.44Å; E202-Q206 PolarHBondContact O-N 2.87Å |
| 203 | E | 52.2 | Low | 67.3 | Low | 156 Ų | 156 | 86.8 Ų | 86.8 | 73% | 0.729 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 169.5 | -57.6 | 175 | 157.2 | 0 | 0 | 112.8 | T201 A207 | T201-E203 PolarHBondContact O-N 3.42Å; E203-A207 WeakPolarHBondContact O-CB 3.35Å; E203-A207 PolarHBondContact O-N 3.27Å |
| 204 | E | 58.8 | Low | 66.7 | Low | 81 Ų | 81 | 91.3 Ų | 91.3 | 38% | 0.379 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -75.3 | -35.2 | 174.5 | -77.9 | 179.5 | 128.3 | 0 | 0 | 113.2 | P200 T201 Q206 A207 L208 | P200-E204 VanDerWaalsContact CA-OE2 3.23Å; P200-E204 WeakPolarHBondContact CA-OE2 3.43Å; P200-E204 HydrophobicContact CB-CB 3.54Å; T201-E204 PolarHBondContact N-OE2 3Å; T201-E204 PolarHBondContact O-N 2.95Å; T201-E204 PolarHBondContact OG1-N 3.44Å; T201-E204 VanDerWaalsContact OG1-N 3.11Å; E204-Q206 VanDerWaalsContact C-N 3.34Å; E204-A207 PolarHBondContact O-N 3.29Å; E204-L208 WeakPolarHBondContact O-CB 3.46Å; E204-L208 WeakPolarHBondContact O-CD1 3.31Å; E204-L208 PolarHBondContact O-N 2.99Å |
| 205 | E | 63 | Low | 66.4 | Low | 79 Ų | 79 | 97.6 Ų | 97.6 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 170 | -81.4 | -167 | 152 | 0 | 0 | 109.9 | K124 P200 T201 E202 L208 E209 | K124-E205 IonicContact NZ-OE1 2.85Å; K124-E205 IonicContact NZ-OE2 2.83Å; K124-E205 PolarHBondContact NZ-OE2 3.49Å; P200-E205 HydrophobicContact CB-CG 4.34Å; P200-E205 HydrophobicContact CG-CG 3.9Å; T201-E205 PolarHBondContact O-N 3.47Å; E202-E205 PolarHBondContact O-N 2.79Å; E205-L208 PolarHBondContact O-N 3.17Å; E205-E209 WeakPolarHBondContact O-CB 3.3Å; E205-E209 PolarHBondContact O-N 3.34Å |
| 206 | Q | 62.6 | Low | 65.9 | Low | 121 Ų | 121 | 99.5 Ų | 99.5 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.5 | -35.7 | 179.4 | -164.7 | 170.3 | 11.3 | 0 | 0 | 112.3 | E202 E204 E209 L210 | E202-Q206 VanDerWaalsContact O-CB 3.25Å; E202-Q206 WeakPolarHBondContact O-CB 3.44Å; E202-Q206 PolarHBondContact O-N 2.87Å; E204-Q206 VanDerWaalsContact C-N 3.34Å; Q206-E209 PolarHBondContact O-N 3.02Å; Q206-L210 HydrophobicContact CG-CD1 4.44Å; Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 WeakPolarHBondContact O-CD1 3.38Å; Q206-L210 VanDerWaalsContact O-CG 3.28Å; Q206-L210 WeakPolarHBondContact O-CG 3.44Å; Q206-L210 PolarHBondContact O-N 3.08Å |
| 207 | A | 65.8 | Low | 65.3 | Low | 44 Ų | 44 | 95.5 Ų | 95.5 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E203 E204 L211 | E203-A207 WeakPolarHBondContact O-CB 3.35Å; E203-A207 PolarHBondContact O-N 3.27Å; E204-A207 PolarHBondContact O-N 3.29Å; A207-L211 VanDerWaalsContact O-CB 3.31Å; A207-L211 WeakPolarHBondContact O-CB 3.14Å; A207-L211 WeakPolarHBondContact O-CD1 3.26Å; A207-L211 WeakPolarHBondContact O-CG 3.4Å; A207-L211 PolarHBondContact O-N 3.45Å |
| 208 | L | 71.4 | Confident | 65 | Low | 104 Ų | 104 | 96.4 Ų | 96.4 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 173.1 | -99.3 | 89.8 | 0 | 0 | 0 | 112 | E204 E205 L211 S212 | E204-L208 WeakPolarHBondContact O-CB 3.46Å; E204-L208 WeakPolarHBondContact O-CD1 3.31Å; E204-L208 PolarHBondContact O-N 2.99Å; E205-L208 PolarHBondContact O-N 3.17Å; L208-L211 PolarHBondContact O-N 3.47Å; L208-S212 PolarHBondContact O-N 3.17Å; L208-S212 PolarHBondContact O-OG 3.41Å |
| 209 | E | 73 | Confident | 65 | Low | 125 Ų | 125 | 96.8 Ų | 96.8 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -51.4 | 177.2 | -165.4 | 163.5 | -149.1 | 0 | 0 | 110 | E205 Q206 L211 S212 E213 | E205-E209 WeakPolarHBondContact O-CB 3.3Å; E205-E209 PolarHBondContact O-N 3.34Å; Q206-E209 PolarHBondContact O-N 3.02Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.3Å; E209-S212 WeakPolarHBondContact CA-OG 3.39Å; E209-S212 PolarHBondContact O-N 3.31Å; E209-S212 PolarHBondContact O-OG 2.85Å; E209-E213 WeakPolarHBondContact O-CG 3.3Å; E209-E213 PolarHBondContact O-N 3.07Å |
| 210 | L | 71.3 | Confident | 64.8 | Low | 95 Ų | 95 | 99.4 Ų | 99.4 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.5 | -37.7 | 173.6 | -73.2 | 164.1 | 0 | 0 | 0 | 113.4 | Q206 M214 | Q206-L210 HydrophobicContact CG-CD1 4.44Å; Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 WeakPolarHBondContact O-CD1 3.38Å; Q206-L210 VanDerWaalsContact O-CG 3.28Å; Q206-L210 WeakPolarHBondContact O-CG 3.44Å; Q206-L210 PolarHBondContact O-N 3.08Å; L210-M214 VanDerWaalsContact O-CB 3.3Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 PolarHBondContact O-N 3.01Å |
| 211 | L | 75.5 | Confident | 64.7 | Low | 102 Ų | 102 | 106.6 Ų | 106.6 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 175 | -76.8 | 167.9 | 0 | 0 | 0 | 111.9 | A207 L208 E209 M214 E215 | A207-L211 VanDerWaalsContact O-CB 3.31Å; A207-L211 WeakPolarHBondContact O-CB 3.14Å; A207-L211 WeakPolarHBondContact O-CD1 3.26Å; A207-L211 WeakPolarHBondContact O-CG 3.4Å; A207-L211 PolarHBondContact O-N 3.45Å; L208-L211 PolarHBondContact O-N 3.47Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.3Å; L211-M214 PolarHBondContact O-N 3.39Å; L211-E215 WeakPolarHBondContact O-CB 3.33Å; L211-E215 PolarHBondContact O-N 2.92Å |
| 212 | S | 75.6 | Confident | 64.3 | Low | 60 Ų | 60 | 107.4 Ų | 107.4 | 42% | 0.42 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.9 | -39.9 | 176.3 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | L208 E209 M214 E215 E216 | L208-S212 PolarHBondContact O-N 3.17Å; L208-S212 PolarHBondContact O-OG 3.41Å; E209-S212 WeakPolarHBondContact CA-OG 3.39Å; E209-S212 PolarHBondContact O-N 3.31Å; E209-S212 PolarHBondContact O-OG 2.85Å; S212-M214 VanDerWaalsContact C-N 3.26Å; S212-M214 PolarHBondContact O-N 3.4Å; S212-E215 PolarHBondContact O-N 3.09Å; S212-E216 WeakPolarHBondContact O-CB 3.49Å; S212-E216 PolarHBondContact O-N 3.43Å |
| 213 | E | 73.7 | Confident | 64.2 | Low | 114 Ų | 114 | 106.3 Ų | 106.3 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.2 | -37.2 | 171.2 | -69 | -177.5 | 147.2 | 0 | 0 | 111.4 | E209 S217 | E209-E213 WeakPolarHBondContact O-CG 3.3Å; E209-E213 PolarHBondContact O-N 3.07Å; E213-S217 VanDerWaalsContact O-CB 3.27Å; E213-S217 WeakPolarHBondContact O-CB 3.36Å; E213-S217 PolarHBondContact O-N 3.47Å; E213-S217 PolarHBondContact O-OG 3.36Å |
| 214 | M | 70.3 | Confident | 64 | Low | 119 Ų | 119 | 104.9 Ų | 104.9 | 59% | 0.586 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.1 | -38.6 | 175.5 | -165.6 | -174.2 | -47.7 | 0 | 0 | 112.5 | L210 L211 S212 S217 S218 | L210-M214 VanDerWaalsContact O-CB 3.3Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 PolarHBondContact O-N 3.01Å; L211-M214 PolarHBondContact O-N 3.39Å; S212-M214 VanDerWaalsContact C-N 3.26Å; S212-M214 PolarHBondContact O-N 3.4Å; M214-S217 WeakPolarHBondContact CA-OG 3.25Å; M214-S217 PolarHBondContact O-OG 3.33Å; M214-S218 VanDerWaalsContact O-CB 3.27Å; M214-S218 WeakPolarHBondContact O-CB 3.47Å; M214-S218 PolarHBondContact O-N 2.84Å; M214-S218 PolarHBondContact O-OG 3.29Å |
| 215 | E | 72.6 | Confident | 63.6 | Low | 135 Ų | 135 | 108.9 Ų | 108.9 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.5 | -48 | 176.4 | -167.2 | 163.8 | -155.3 | 0 | 0 | 110.5 | L211 S212 S217 S218 E219 | L211-E215 WeakPolarHBondContact O-CB 3.33Å; L211-E215 PolarHBondContact O-N 2.92Å; S212-E215 PolarHBondContact O-N 3.09Å; E215-S217 PolarHBondContact O-N 3.35Å; E215-S218 WeakPolarHBondContact O-CB 3.36Å; E215-S218 PolarHBondContact O-N 3.42Å; E215-S218 VanDerWaalsContact O-N 3.09Å; E215-S218 PolarHBondContact O-OG 2.68Å; E215-E219 PolarHBondContact O-N 3.08Å |
| 216 | E | 69.1 | Low | 63.1 | Low | 141 Ų | 141 | 111.5 Ų | 111.5 | 66% | 0.659 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.2 | -38.6 | 179.1 | -169.3 | 170.1 | -169.7 | 0 | 0 | 112.8 | S212 S218 E219 T220 | S212-E216 WeakPolarHBondContact O-CB 3.49Å; S212-E216 PolarHBondContact O-N 3.43Å; E216-S218 VanDerWaalsContact C-N 3.35Å; E216-E219 PolarHBondContact O-N 3.35Å; E216-T220 PolarHBondContact O-N 3.44Å; E216-T220 PolarHBondContact O-OG1 3.37Å |
| 217 | S | 63.9 | Low | 62.6 | Low | 69 Ų | 69 | 111.9 Ų | 111.9 | 48% | 0.483 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.1 | -29.6 | 171.8 | 57 | 0 | 0 | 0 | 0 | 113 | E213 M214 E215 T220 | E213-S217 VanDerWaalsContact O-CB 3.27Å; E213-S217 WeakPolarHBondContact O-CB 3.36Å; E213-S217 PolarHBondContact O-N 3.47Å; E213-S217 PolarHBondContact O-OG 3.36Å; M214-S217 WeakPolarHBondContact CA-OG 3.25Å; M214-S217 PolarHBondContact O-OG 3.33Å; E215-S217 PolarHBondContact O-N 3.35Å; S217-T220 PolarHBondContact O-N 3.24Å |
| 218 | S | 61.5 | Low | 61.8 | Low | 73 Ų | 73 | 113 Ų | 113 | 51% | 0.51 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72.6 | -33.2 | 174.3 | 79.7 | 0 | 0 | 0 | 0 | 113.4 | M214 E215 E216 T220 | M214-S218 VanDerWaalsContact O-CB 3.27Å; M214-S218 WeakPolarHBondContact O-CB 3.47Å; M214-S218 PolarHBondContact O-N 2.84Å; M214-S218 PolarHBondContact O-OG 3.29Å; E215-S218 WeakPolarHBondContact O-CB 3.36Å; E215-S218 PolarHBondContact O-N 3.42Å; E215-S218 VanDerWaalsContact O-N 3.09Å; E215-S218 PolarHBondContact O-OG 2.68Å; E216-S218 VanDerWaalsContact C-N 3.35Å; S218-T220 VanDerWaalsContact C-N 3.29Å |
| 219 | E | 58.5 | Low | 60.7 | Low | 164 Ų | 164 | 113.4 Ų | 113.4 | 77% | 0.766 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.8 | -22.8 | 173 | -68 | -157.2 | 118.6 | 0 | 0 | 112.6 | E215 E216 Y221 | E215-E219 PolarHBondContact O-N 3.08Å; E216-E219 PolarHBondContact O-N 3.35Å; E219-Y221 VanDerWaalsContact C-N 3.35Å |
| 220 | T | 55.9 | Low | 59.8 | Low | 106 Ų | 106 | 115.8 Ų | 115.8 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75 | -21.2 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | E216 S217 S218 | E216-T220 PolarHBondContact O-N 3.44Å; E216-T220 PolarHBondContact O-OG1 3.37Å; S217-T220 PolarHBondContact O-N 3.24Å; S218-T220 VanDerWaalsContact C-N 3.29Å |
| 221 | Y | 51.4 | Low | 58.9 | Low | 187 Ų | 187 | 120.1 Ų | 120.1 | 73% | 0.733 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -100.6 | 109.2 | 171.1 | -92.5 | -90.5 | 0 | 0 | 0 | 110.9 | E219 A223 | E219-Y221 VanDerWaalsContact C-N 3.35Å; Y221-A223 PolarHBondContact O-N 3.1Å |
| 222 | P | 48.2 | Very low | 58.1 | Low | 74 Ų | 74 | 122.6 Ų | 122.6 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | trans | -66.9 | 124.4 | 176.1 | 26.7 | -32 | 0 | 0 | 0 | 110.1 | D224 Y225 | P222-D224 PolarHBondContact O-N 3.02Å; P222-Y225 HydrophobicContact CG-CD2 3.96Å; P222-Y225 HydrophobicContact CG-CE2 3.85Å; P222-Y225 PolarHBondContact O-N 3.5Å | ||
| 223 | A | 53.6 | Low | 57.4 | Low | 84 Ų | 84 | 125 Ų | 125 | 69% | 0.694 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y221 Y225 | Y221-A223 PolarHBondContact O-N 3.1Å; A223-Y225 VanDerWaalsContact C-N 3.3Å |
| 224 | D | 49 | Very low | 57 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.3 | -23.5 | 171.8 | -93.5 | -35.5 | 0 | 0 | 0 | 113.2 | P222 D226 I227 A228 | P222-D224 PolarHBondContact O-N 3.02Å; D224-D226 PolarHBondContact O-N 2.93Å; D224-I227 PolarHBondContact O-N 3.12Å; D224-A228 PolarHBondContact O-N 2.72Å |
| 225 | Y | 50.7 | Low | 57 | Low | 165 Ų | 165 | 125.2 Ų | 125.2 | 65% | 0.647 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.5 | -32.8 | -177.3 | -82.2 | -76.1 | 0 | 0 | 0 | 114.1 | P222 A223 | P222-Y225 HydrophobicContact CG-CD2 3.96Å; P222-Y225 HydrophobicContact CG-CE2 3.85Å; P222-Y225 PolarHBondContact O-N 3.5Å; A223-Y225 VanDerWaalsContact C-N 3.3Å |
| 226 | D | 50.9 | Low | 56.8 | Low | 133 Ų | 133 | 123.3 Ų | 123.3 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -78 | -26.7 | 179.1 | -88.2 | -42.7 | 0 | 0 | 0 | 113.4 | D224 | D224-D226 PolarHBondContact O-N 2.93Å |
| 227 | I | 52.1 | Low | 56.1 | Low | 130 Ų | 130 | 127.7 Ų | 127.7 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.3 | -34.4 | 178 | -63.6 | 175.8 | 0 | 0 | 0 | 110.7 | D224 | D224-I227 PolarHBondContact O-N 3.12Å |
| 228 | A | 49.8 | Very low | 55.7 | Low | 68 Ų | 68 | 132.6 Ų | 132.6 | 56% | 0.562 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -69.7 | -30.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D224 | D224-A228 PolarHBondContact O-N 2.72Å |
| 229 | N | 49 | Very low | 55.7 | Low | 112 Ų | 112 | 138.5 Ų | 138.5 | 60% | 0.599 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -89.2 | -12.5 | -172 | -94.7 | -17.6 | 0 | 0 | 0 | 115.6 | F231 | N229-F231 PolarHBondContact O-N 2.74Å |
| 230 | Q | 53.3 | Low | 55.6 | Low | 174 Ų | 174 | 137.2 Ų | 137.2 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -8.3 | 177.4 | -75.1 | -164.4 | -9.1 | 0 | 0 | 114.6 | ||
| 231 | F | 51.8 | Low | 55.6 | Low | 186 Ų | 186 | 138.8 Ų | 138.8 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 11.8 | -171.6 | -101.5 | -79.7 | 0 | 0 | 0 | 115.9 | N229 P233 | N229-F231 PolarHBondContact O-N 2.74Å; F231-P233 WeakPolarHBondContact O-CD 3.26Å |
| 232 | Q | 58.6 | Low | 55.8 | Low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | -86.8 | 108.5 | 169 | -74.9 | -169.7 | -20.6 | 0 | 0 | 110.7 | ||||
| 233 | P | 62 | Low | 56.3 | Low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 147.7 | 169.7 | 29.2 | -34.5 | 0 | 0 | 0 | 109.9 | F231 | F231-P233 WeakPolarHBondContact O-CD 3.26Š|
| 234 | P | 64.8 | Low | 56.4 | Low | 118 Ų | 118 | 143.3 Ų | 143.3 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 145.8 | 179.1 | 25.2 | -34.1 | 0 | 0 | 0 | 111 | A236 | P234-A236 PolarHBondContact O-N 3.14Š|
| 235 | P | 70.2 | Confident | 56.9 | Low | 120 Ų | 120 | 144.5 Ų | 144.5 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 136.1 | -177.6 | 24.6 | -33.8 | 0 | 0 | 0 | 110.9 | Y237 | P235-Y237 PolarHBondContact O-N 3.34Š|
| 236 | A | 67.8 | Low | 57.4 | Low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 127.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P234 M238 | P234-A236 PolarHBondContact O-N 3.14Å; A236-M238 PolarHBondContact O-N 3.43Å |
| 237 | Y | 55.4 | Low | 57.8 | Low | 233 Ų | 233 | 143.8 Ų | 143.8 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.3 | 171 | -76.3 | -88 | 0 | 0 | 0 | 109.6 | P235 | P235-Y237 PolarHBondContact O-N 3.34Š|
| 238 | M | 55.2 | Low | 58.3 | Low | 173 Ų | 173 | 144.9 Ų | 144.9 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 145.4 | 168.2 | -68 | -89.1 | -75.2 | 0 | 0 | 109.1 | A236 | A236-M238 PolarHBondContact O-N 3.43Š|
| 239 | P | 62.3 | Low | 59.1 | Low | 196 Ų | 196 | 151.9 Ų | 151.9 | 100% | 1.273 | 82% | 0.821 | S | S | * | * | trans | -73.3 | 0 | -179.4 | 32.3 | -36.7 | 0 | 0 | 0 | 113.6 |
Retrieved 239 of 239 residues in 987.5 ms
(Link to these results)