| 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 | 55 | Low | 52.3 | Low | 181 Ų | 181 | 90.4 Ų | 90.4 | 89% | 0.892 | 50% | 0.502 | S | S | * | . | 0 | 129.5 | 0 | -171.9 | 168.3 | -178.3 | 0 | 0 | 106.8 | V3 E214 | M1-V3 HydrophobicContact CG-CG2 4.49Å; M1-E214 PolarHBondContact O-N 2.77Å; M1-E214 VanDerWaalsContact O-N 3.13Å | |||
| 2 | S | 62.6 | Low | 50.5 | Low | 80 Ų | 80 | 98.3 Ų | 98.3 | 56% | 0.559 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.6 | 175.6 | -57 | 0 | 0 | 0 | 0 | 108.3 | E214 | S2-E214 WeakPolarHBondContact CA-O 3.44Å |
| 3 | V | 59.5 | Low | 49 | Very low | 26 Ų | 26 | 99.5 Ų | 99.5 | 16% | 0.158 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.8 | -179.8 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | M1 F200 V213 E214 I216 | M1-V3 HydrophobicContact CG-CG2 4.49Å; V3-F200 HydrophobicContact CG1-CD1 4.48Å; V3-V213 HydrophobicContact CB-CG2 4.28Å; V3-V213 HydrophobicContact CG2-CG2 3.77Å; V3-E214 PolarHBondContact N-O 3.42Å; V3-I216 PolarHBondContact O-N 3.24Å |
| 4 | V | 59 | Low | 47.3 | Very low | 102 Ų | 102 | 101.5 Ų | 101.5 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 120.6 | 173 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | ||
| 5 | G | 57 | Low | 46.1 | Very low | 18 Ų | 18 | 99.5 Ų | 99.5 | 19% | 0.186 | 59% | 0.587 | C | S | . | * | P | Polyproline II helix | trans | -70.2 | 152.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q7 D199 | G5-Q7 PolarHBondContact O-N 3.39Å; G5-D199 CarbonylContact C-O 3.44Å; G5-D199 VanDerWaalsContact CA-O 3.28Å; G5-D199 WeakPolarHBondContact CA-O 3.46Å |
| 6 | K | 66.6 | Low | 44.9 | Very low | 124 Ų | 124 | 100.4 Ų | 100.4 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.1 | 168.6 | -70.7 | 170.5 | -174.6 | 157.6 | 0 | 108 | D199 E201 | K6-D199 HydrophobicContact CB-CB 4.42Å; K6-D199 PolarHBondContact N-O 2.97Å; K6-E201 IonicContact NZ-OE1 3.98Å; K6-E201 PolarHBondContact NZ-OE1 3.12Å |
| 7 | Q | 55.6 | Low | 44 | Very low | 83 Ų | 83 | 98.9 Ų | 98.9 | 39% | 0.388 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.4 | 175.4 | 172.9 | 165.5 | -26.5 | 0 | 0 | 110.1 | G5 N9 K196 | G5-Q7 PolarHBondContact O-N 3.39Å; Q7-N9 PolarHBondContact NE2-OD1 3.07Å; Q7-K196 VanDerWaalsContact CD-CE 3.5Å |
| 8 | L | 50.6 | Low | 43 | Very low | 77 Ų | 77 | 99 Ų | 99 | 40% | 0.403 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 107.9 | 169 | -64.6 | 171.7 | 0 | 0 | 0 | 107.6 | L74 T197 | L8-L74 HydrophobicContact CD1-CD1 4.41Å; L8-L74 HydrophobicContact CD1-CD2 3.59Å; L8-T197 HydrophobicContact CB-CG2 4.49Å; L8-T197 HydrophobicContact CD1-CG2 4.4Å |
| 9 | N | 37.8 | Very low | 42.3 | Very low | 113 Ų | 113 | 100.7 Ų | 100.7 | 60% | 0.604 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 138.8 | 175.5 | -77.9 | -24.5 | 0 | 0 | 0 | 109.7 | Q7 V11 | Q7-N9 PolarHBondContact NE2-OD1 3.07Å; N9-V11 PolarHBondContact O-N 3.07Å |
| 10 | P | 37.1 | Very low | 41.3 | Very low | 51 Ų | 51 | 102.5 Ų | 102.5 | 33% | 0.331 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 129.5 | 169.9 | -17.9 | 28.3 | 0 | 0 | 0 | 109.9 | Q12 L194 | P10-Q12 PolarHBondContact O-N 2.96Å; P10-L194 HydrophobicContact CB-CD2 4.04Å; P10-L194 HydrophobicContact CB-CG 4.48Å; P10-L194 HydrophobicContact CG-CD2 3.98Å; P10-L194 HydrophobicContact CG-CG 4.08Å |
| 11 | V | 34.6 | Very low | 40.7 | Very low | 139 Ų | 139 | 103.8 Ų | 103.8 | 84% | 0.842 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -65 | 116.1 | 165 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | N9 S13 | N9-V11 PolarHBondContact O-N 3.07Å; V11-S13 PolarHBondContact O-N 3.23Å |
| 12 | Q | 30.7 | Very low | 39.4 | Very low | 186 Ų | 186 | 101 Ų | 101 | 87% | 0.869 | 65% | 0.654 | S | S | * | * | trans | -62.9 | 104.3 | 173.5 | -71.3 | 179 | -8.6 | 0 | 0 | 108.4 | P10 S14 | P10-Q12 PolarHBondContact O-N 2.96Å; Q12-S14 PolarHBondContact O-N 2.55Å | ||
| 13 | S | 30.3 | Very low | 38 | Very low | 114 Ų | 114 | 103 Ų | 103 | 80% | 0.797 | 67% | 0.669 | S | S | * | * | trans | -77.3 | 102.1 | 165.5 | 50.6 | 0 | 0 | 0 | 0 | 108.2 | V11 G15 | V11-S13 PolarHBondContact O-N 3.23Å; S13-G15 PolarHBondContact O-N 3.43Å; S13-G15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | S | 25.4 | Very low | 36.4 | Very low | 127 Ų | 127 | 107.6 Ų | 107.6 | 89% | 0.888 | 70% | 0.702 | S | S | * | * | trans | -66.2 | 102.9 | 165.4 | 48.8 | 0 | 0 | 0 | 0 | 108.7 | Q12 | Q12-S14 PolarHBondContact O-N 2.55Š| ||
| 15 | G | 29.9 | Very low | 35 | Very low | 71 Ų | 71 | 107.3 Ų | 107.3 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -147.3 | 86.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S13 | S13-G15 PolarHBondContact O-N 3.43Å; S13-G15 VanDerWaalsContact O-N 3.09Å | ||
| 16 | A | 26.5 | Very low | 33.6 | Very low | 115 Ų | 115 | 111 Ų | 111 | 95% | 0.95 | 74% | 0.739 | S | S | * | * | trans | -71.5 | 137 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | G | 29.4 | Very low | 31.5 | Very low | 74 Ų | 74 | 110.2 Ų | 110.2 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 168.5 | 67.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V19 | G17-V19 PolarHBondContact O-N 3.1Š| ||
| 18 | A | 26.1 | Very low | 30.1 | Very low | 101 Ų | 101 | 109.8 Ų | 109.8 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -67.7 | 121 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 19 | V | 29.4 | Very low | 29 | Very low | 132 Ų | 132 | 111.2 Ų | 111.2 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -141.7 | 105.8 | 151.2 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | G17 | G17-V19 PolarHBondContact O-N 3.1Š| ||
| 20 | T | 23.6 | Very low | 28.5 | Very low | 135 Ų | 135 | 110.8 Ų | 110.8 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -69.9 | 127.9 | 164.9 | 39.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 21 | T | 27.9 | Very low | 28.3 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -141.7 | 112.4 | 151.4 | 42.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | S | 27.4 | Very low | 28 | Very low | 121 Ų | 121 | 112.6 Ų | 112.6 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -63.4 | 137.7 | 164.2 | 47.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 23 | S | 33.2 | Very low | 28.4 | Very low | 123 Ų | 123 | 111 Ų | 111 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -154.6 | 115.2 | 152.4 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 24 | S | 26.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 110.8 Ų | 110.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -77.7 | 139.1 | 167.2 | 49.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 25 | A | 30 | Very low | 28.7 | Very low | 96 Ų | 96 | 108 Ų | 108 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -170.3 | 105.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 26 | A | 25.9 | Very low | 28.7 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | 61.2 | 93.8 | 68.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 27 | A | 24.4 | Very low | 29 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | 68.8 | 135.5 | 126.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 28 | G | 24.6 | Very low | 28.9 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | 102 | 139.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 29 | S | 27.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | cis | -179.4 | 149.9 | 1.2 | 46.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 30 | S | 27.3 | Very low | 28.9 | Very low | 104 Ų | 104 | 116 Ų | 116 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | 48.6 | 126.5 | 144.3 | 63.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 31 | S | 33.4 | Very low | 29.2 | Very low | 120 Ų | 120 | 113.5 Ų | 113.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | 173.2 | 144.3 | 97.7 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 32 | S | 29.6 | Very low | 29.1 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -70.8 | 150.6 | 177 | 42.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 33 | N | 37.9 | Very low | 29 | Very low | 153 Ų | 153 | 111.1 Ų | 111.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -163.6 | 116.1 | 148.7 | -115.7 | 19.3 | 0 | 0 | 0 | 105.8 | ||||
| 34 | S | 30.3 | Very low | 28.6 | Very low | 108 Ų | 108 | 108.5 Ų | 108.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 68.9 | 122.9 | 53 | 82.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 35 | G | 32.5 | Very low | 28.6 | Very low | 68 Ų | 68 | 107.9 Ų | 107.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 124.9 | 93.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 36 | V | 29.4 | Very low | 28.4 | Very low | 137 Ų | 137 | 109.1 Ų | 109.1 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | 76.9 | 142.8 | 62.4 | -171.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 37 | E | 32.7 | Very low | 28.5 | Very low | 179 Ų | 179 | 108.3 Ų | 108.3 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 98.3 | 102.3 | 170.8 | -51.6 | -168.6 | 145.6 | 0 | 0 | 114 | ||||
| 38 | A | 27.6 | Very low | 28.5 | Very low | 99 Ų | 99 | 107.9 Ų | 107.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | 78.4 | 141.6 | 46.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 39 | N | 30.9 | Very low | 28.4 | Very low | 171 Ų | 171 | 109.2 Ų | 109.2 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | 76.4 | 126.7 | 177.2 | -95.1 | -5.8 | 0 | 0 | 0 | 116.2 | ||||
| 40 | G | 24.6 | Very low | 28.3 | Very low | 76 Ų | 76 | 108.4 Ų | 108.4 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | cis | 123.1 | 123.6 | 26.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 41 | G | 28.8 | Very low | 28.1 | Very low | 83 Ų | 83 | 108.7 Ų | 108.7 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | 167.5 | 97.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 42 | S | 26.4 | Very low | 27.7 | Very low | 124 Ų | 124 | 106.4 Ų | 106.4 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -60 | 152.8 | 171.7 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 43 | G | 25.1 | Very low | 27.5 | Very low | 77 Ų | 77 | 106.5 Ų | 106.5 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | 122.6 | 131 | 128.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 44 | G | 24.8 | Very low | 26.8 | Very low | 68 Ų | 68 | 103 Ų | 103 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 81.7 | 100.3 | 144 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 45 | S | 27.7 | Very low | 26.9 | Very low | 110 Ų | 110 | 102.5 Ų | 102.5 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | 84.5 | 114.3 | 81.8 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 46 | S | 26.1 | Very low | 26.8 | Very low | 121 Ų | 121 | 105.3 Ų | 105.3 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | 54.9 | 126.3 | 138.7 | 61.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 47 | G | 26.9 | Very low | 26.9 | Very low | 80 Ų | 80 | 101.8 Ų | 101.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 153.2 | 84.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 48 | A | 24.6 | Very low | 27.1 | Very low | 98 Ų | 98 | 101.4 Ų | 101.4 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -72.2 | 150.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 49 | A | 23.5 | Very low | 27.6 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | 64.8 | 145.3 | 148 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 50 | A | 23.5 | Very low | 27.7 | Very low | 90 Ų | 90 | 102.4 Ų | 102.4 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | cis | -175.1 | 166.8 | -9.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 51 | A | 24.3 | Very low | 28.2 | Very low | 110 Ų | 110 | 109.2 Ų | 109.2 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | 84.4 | 133.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 52 | G | 24.2 | Very low | 28.7 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 124 | 70.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 53 | A | 25.8 | Very low | 29.4 | Very low | 110 Ų | 110 | 109.2 Ų | 109.2 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | 68.7 | 117.7 | 88.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 54 | G | 24.2 | Very low | 30.3 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 103.4 | 99 | 155.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 55 | A | 30.6 | Very low | 31.7 | Very low | 96 Ų | 96 | 114.7 Ų | 114.7 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | 174.2 | 121.7 | 113.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | G57 | A55-G57 PolarHBondContact O-N 3.1Š| |||
| 56 | S | 30.5 | Very low | 33.1 | Very low | 128 Ų | 128 | 112.3 Ų | 112.3 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -38.8 | 93.4 | 160.2 | 46 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 57 | G | 32.2 | Very low | 35.5 | Very low | 62 Ų | 62 | 111.1 Ų | 111.1 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -95.1 | 116.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | A55 A59 | A55-G57 PolarHBondContact O-N 3.1Å; G57-A59 PolarHBondContact O-N 3.04Å | ||
| 58 | D | 36 | Very low | 38.7 | Very low | 172 Ų | 172 | 108.3 Ų | 108.3 | 92% | 0.92 | 74% | 0.743 | S | S | * | * | trans | -55.1 | 84 | 160.2 | -90.4 | -61.4 | 0 | 0 | 0 | 107.8 | K60 | D58-K60 PolarHBondContact O-N 3.04Š| ||
| 59 | A | 38.2 | Very low | 42.1 | Very low | 92 Ų | 92 | 106 Ų | 106 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | trans | -70.1 | 94.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | G57 R61 | G57-A59 PolarHBondContact O-N 3.04Å; A59-R61 PolarHBondContact O-N 3.23Å | ||
| 60 | K | 33.5 | Very low | 45.6 | Very low | 198 Ų | 198 | 101.5 Ų | 101.5 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | trans | -46.3 | 88.4 | 160.8 | -175.1 | -179 | -179 | -174.8 | 0 | 107.4 | D58 | D58-K60 PolarHBondContact O-N 3.04Š| ||
| 61 | R | 36.5 | Very low | 49 | Very low | 219 Ų | 219 | 102 Ų | 102 | 83% | 0.826 | 67% | 0.671 | S | S | * | * | trans | -52.5 | 127.1 | 175.2 | -177.2 | -179.6 | -109.6 | -166 | -4.7 | 105.5 | A59 A63 | A59-R61 PolarHBondContact O-N 3.23Å; R61-A63 PolarHBondContact O-N 2.97Å | ||
| 62 | P | 39.3 | Very low | 52.4 | Low | 111 Ų | 111 | 101.1 Ų | 101.1 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | trans | -61.3 | 104 | -172.6 | 22 | -29.8 | 0 | 0 | 0 | 107.9 | E64 | P62-E64 PolarHBondContact O-N 3.27Š| ||
| 63 | A | 39.8 | Very low | 55.9 | Low | 96 Ų | 96 | 97.8 Ų | 97.8 | 79% | 0.793 | 61% | 0.614 | S | S | * | * | trans | -76.9 | 62.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | R61 | R61-A63 PolarHBondContact O-N 2.97Š| ||
| 64 | E | 44.9 | Very low | 59.3 | Low | 184 Ų | 184 | 94.4 Ų | 94.4 | 86% | 0.86 | 58% | 0.581 | S | S | * | * | trans | -112.1 | 49.8 | 165.5 | -65.9 | -165.2 | -177.6 | 0 | 0 | 107.9 | P62 | P62-E64 PolarHBondContact O-N 3.27Š| ||
| 65 | S | 54.2 | Low | 62.7 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 53% | 0.531 | 57% | 0.569 | S | S | . | * | trans | -90.5 | 102.6 | 160.8 | 60 | 0 | 0 | 0 | 0 | 106.1 | S67 | S65-S67 PolarHBondContact O-N 3.45Š| ||
| 66 | S | 57.3 | Low | 65.8 | Low | 60 Ų | 60 | 94.3 Ų | 94.3 | 42% | 0.42 | 54% | 0.543 | S | S | . | . | trans | -45.9 | 116.9 | 170 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | V68 L84 | S66-V68 PolarHBondContact O-N 3.46Å; S66-L84 PolarHBondContact OG-O 2.92Å | ||
| 67 | S | 76.1 | Confident | 68.9 | Low | 96 Ų | 96 | 93.7 Ų | 93.7 | 67% | 0.671 | 53% | 0.534 | S | S | * | . | trans | -82 | 34.6 | -170.5 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | S65 T69 | S65-S67 PolarHBondContact O-N 3.45Å; S67-T69 WeakPolarHBondContact O-CG2 3.49Å; S67-T69 PolarHBondContact O-N 2.92Å; S67-T69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | V | 94 | Very high | 71.9 | Confident | 21 Ų | 21 | 94.8 Ų | 94.8 | 13% | 0.127 | 52% | 0.521 | C | S | . | . | trans | -63.8 | 120.5 | -176.3 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | S66 E72 V73 L84 F244 L249 | S66-V68 PolarHBondContact O-N 3.46Å; V68-E72 VanDerWaalsContact CA-OE2 3.32Å; V68-E72 WeakPolarHBondContact CA-OE2 3.16Å; V68-V73 HydrophobicContact CG1-CG1 3.5Å; V68-L84 HydrophobicContact CG1-CD1 3.99Å; V68-L84 HydrophobicContact CG2-CB 4.24Å; V68-L84 HydrophobicContact CG2-CD1 4.39Å; V68-F244 WeakPolarHBondContact O-CE1 3.24Å; V68-L249 HydrophobicContact CB-CB 4.3Å; V68-L249 HydrophobicContact CB-CD2 3.91Å; V68-L249 HydrophobicContact CG1-CD2 4.02Å; V68-L249 HydrophobicContact CG2-CD2 4.42Å | ||
| 69 | T | 95.9 | Very high | 74.9 | Confident | 49 Ų | 49 | 87.5 Ų | 87.5 | 30% | 0.301 | 48% | 0.482 | S | S | . | . | trans | -98.9 | 159.7 | -177.7 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | S67 D71 E72 V73 | S67-T69 WeakPolarHBondContact O-CG2 3.49Å; S67-T69 PolarHBondContact O-N 2.92Å; S67-T69 VanDerWaalsContact O-N 3.14Å; T69-D71 PolarHBondContact O-N 2.91Å; T69-E72 PolarHBondContact N-OE2 3.24Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 VanDerWaalsContact OG1-CG 3.31Å; T69-E72 WeakPolarHBondContact OG1-CG 3.39Å; T69-E72 PolarHBondContact OG1-N 3.28Å; T69-V73 PolarHBondContact O-N 3.42Å | ||
| 70 | P | 96.6 | Very high | 77.6 | Confident | 10 Ų | 10 | 83.9 Ų | 83.9 | 7% | 0.065 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -54.9 | -37 | 170.9 | -28.6 | 36.3 | 0 | 0 | 0 | 113.2 | V73 L74 I185 F244 N247 | P70-V73 WeakPolarHBondContact O-CG2 3.45Å; P70-L74 VanDerWaalsContact O-CG 3.23Å; P70-L74 WeakPolarHBondContact O-CG 3.23Å; P70-L74 PolarHBondContact O-N 3.19Å; P70-L74 VanDerWaalsContact O-N 3.16Å; P70-I185 HydrophobicContact CB-CD1 3.83Å; P70-F244 HydrophobicContact CG-CB 4.5Å; P70-F244 HydrophobicContact CG-CD1 3.75Å; P70-F244 HydrophobicContact CG-CD2 4.26Å; P70-F244 HydrophobicContact CG-CE1 3.97Å; P70-F244 HydrophobicContact CG-CE2 4.44Å; P70-F244 HydrophobicContact CG-CG 3.92Å; P70-F244 HydrophobicContact CG-CZ 4.31Å; P70-N247 HydrophobicContact CG-CB 4.13Å |
| 71 | D | 95.8 | Very high | 80.5 | Confident | 99 Ų | 99 | 80.4 Ų | 80.4 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | -179.7 | -167.4 | 78.5 | 0 | 0 | 0 | 111.3 | T69 V73 L74 H75 | T69-D71 PolarHBondContact O-N 2.91Å; D71-V73 PolarHBondContact O-N 3.22Å; D71-L74 PolarHBondContact O-N 3.1Å; D71-H75 PolarHBondContact O-N 3.15Å; D71-H75 PolarHBondContact O-ND1 3.36Å; D71-H75 IonicContact OD1-CE1 2.92Å; D71-H75 PolarHBondContact OD1-CE1 3.27Å; D71-H75 IonicContact OD1-ND1 3.97Å; D71-H75 IonicContact OD2-CE1 3.13Å; D71-H75 PolarHBondContact OD2-CE1 2.83Å; D71-H75 IonicContact OD2-ND1 3.27Å; D71-H75 PolarHBondContact OD2-ND1 3Å |
| 72 | E | 96 | Very high | 83.2 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 44% | 0.435 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.4 | -75.5 | 165.5 | -157.1 | 0 | 0 | 112.3 | V68 T69 L74 H75 L76 | V68-E72 VanDerWaalsContact CA-OE2 3.32Å; V68-E72 WeakPolarHBondContact CA-OE2 3.16Å; T69-E72 PolarHBondContact N-OE2 3.24Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 VanDerWaalsContact OG1-CG 3.31Å; T69-E72 WeakPolarHBondContact OG1-CG 3.39Å; T69-E72 PolarHBondContact OG1-N 3.28Å; E72-L74 VanDerWaalsContact C-N 3.29Å; E72-L74 PolarHBondContact O-N 2.99Å; E72-H75 PolarHBondContact O-N 3.15Å; E72-H75 VanDerWaalsContact O-N 3.17Å; E72-L76 PolarHBondContact O-N 3.45Å |
| 73 | V | 97.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.006 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.9 | -33.2 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | V68 T69 P70 D71 H75 L76 L84 I185 R187 F242 F244 | V68-V73 HydrophobicContact CG1-CG1 3.5Å; T69-V73 PolarHBondContact O-N 3.42Å; P70-V73 WeakPolarHBondContact O-CG2 3.45Å; D71-V73 PolarHBondContact O-N 3.22Å; V73-H75 PolarHBondContact O-N 3.01Å; V73-L76 HydrophobicContact CB-CD1 4.07Å; V73-L76 HydrophobicContact CG1-CD1 4.26Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 WeakPolarHBondContact O-CG 3.41Å; V73-L76 PolarHBondContact O-N 2.74Å; V73-L84 HydrophobicContact CG1-CD1 4.28Å; V73-I185 HydrophobicContact CG2-CB 4.29Å; V73-I185 HydrophobicContact CG2-CD1 3.78Å; V73-I185 HydrophobicContact CG2-CG2 4.14Å; V73-R187 WeakPolarHBondContact O-CD 3.18Å; V73-R187 PolarHBondContact O-NE 3.34Å; V73-F242 HydrophobicContact CB-CD2 3.82Å; V73-F242 HydrophobicContact CB-CE2 3.93Å; V73-F242 HydrophobicContact CB-CG 4.16Å; V73-F242 HydrophobicContact CB-CZ 4.35Å; V73-F242 HydrophobicContact CG1-CD1 3.88Å; V73-F242 HydrophobicContact CG1-CD2 4.01Å; V73-F242 HydrophobicContact CG1-CE1 4.02Å; V73-F242 HydrophobicContact CG1-CE2 4.14Å; V73-F242 HydrophobicContact CG1-CG 3.87Å; V73-F242 HydrophobicContact CG1-CZ 4.14Å; V73-F242 HydrophobicContact CG2-CD2 4.11Å; V73-F242 HydrophobicContact CG2-CG 4.36Å; V73-F244 HydrophobicContact CG1-CZ 3.99Å; V73-F244 HydrophobicContact CG2-CE2 3.79Å; V73-F244 HydrophobicContact CG2-CZ 3.68Å |
| 74 | L | 97 | Very high | 88.5 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.8 | -26 | 176.2 | -74.8 | 171.6 | 0 | 0 | 0 | 113.2 | L8 P70 D71 E72 I185 R187 T197 | L8-L74 HydrophobicContact CD1-CD1 4.41Å; L8-L74 HydrophobicContact CD1-CD2 3.59Å; P70-L74 VanDerWaalsContact O-CG 3.23Å; P70-L74 WeakPolarHBondContact O-CG 3.23Å; P70-L74 PolarHBondContact O-N 3.19Å; P70-L74 VanDerWaalsContact O-N 3.16Å; D71-L74 PolarHBondContact O-N 3.1Å; E72-L74 VanDerWaalsContact C-N 3.29Å; E72-L74 PolarHBondContact O-N 2.99Å; L74-I185 HydrophobicContact CD1-CD1 4.38Å; L74-I185 HydrophobicContact CD2-CD1 4.29Å; L74-I185 HydrophobicContact CD2-CG2 3.8Å; L74-I185 HydrophobicContact CG-CD1 4.06Å; L74-I185 HydrophobicContact CG-CG2 4.44Å; L74-R187 PolarHBondContact O-NH1 3.18Å; L74-R187 PolarHBondContact O-NH2 3.08Å; L74-T197 HydrophobicContact CD2-CG2 3.84Å |
| 75 | H | 95.6 | Very high | 90.9 | Very high | 129 Ų | 129 | 63.2 Ų | 63.2 | 60% | 0.597 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -2.3 | 178.1 | -69.5 | 97.6 | 0 | 0 | 0 | 114.1 | D71 E72 V73 T77 | D71-H75 PolarHBondContact O-N 3.15Å; D71-H75 PolarHBondContact O-ND1 3.36Å; D71-H75 IonicContact OD1-CE1 2.92Å; D71-H75 PolarHBondContact OD1-CE1 3.27Å; D71-H75 IonicContact OD1-ND1 3.97Å; D71-H75 IonicContact OD2-CE1 3.13Å; D71-H75 PolarHBondContact OD2-CE1 2.83Å; D71-H75 IonicContact OD2-ND1 3.27Å; D71-H75 PolarHBondContact OD2-ND1 3Å; E72-H75 PolarHBondContact O-N 3.15Å; E72-H75 VanDerWaalsContact O-N 3.17Å; V73-H75 PolarHBondContact O-N 3.01Å; H75-T77 PolarHBondContact O-N 2.88Å |
| 76 | L | 95.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | trans | -60.9 | 126.3 | 176.6 | -70.3 | 170.3 | 0 | 0 | 0 | 111.3 | E72 V73 T80 R187 F242 | E72-L76 PolarHBondContact O-N 3.45Å; V73-L76 HydrophobicContact CB-CD1 4.07Å; V73-L76 HydrophobicContact CG1-CD1 4.26Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 WeakPolarHBondContact O-CG 3.41Å; V73-L76 PolarHBondContact O-N 2.74Å; L76-T80 HydrophobicContact CD1-CG2 3.73Å; L76-T80 HydrophobicContact CD2-CG2 4.35Å; L76-R187 PolarHBondContact O-NE 2.88Å; L76-R187 PolarHBondContact O-NH2 2.72Å; L76-F242 HydrophobicContact CD1-CE2 4.03Å; L76-F242 HydrophobicContact CD1-CZ 3.65Å | ||
| 77 | T | 95.2 | Very high | 94.2 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | trans | -95.4 | -8.8 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | H75 F189 | H75-T77 PolarHBondContact O-N 2.88Å; T77-F189 VanDerWaalsContact C-CE1 3.49Å; T77-F189 WeakPolarHBondContact O-CE1 3.41Å | ||
| 78 | K | 96.1 | Very high | 94.8 | Very high | 85 Ų | 85 | 64 Ų | 64 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -144.4 | 168.6 | 176.9 | 61.7 | 164.5 | -169.3 | 150.5 | 0 | 110.6 | D81 | K78-D81 VanDerWaalsContact NZ-CG 3.35Å; K78-D81 IonicContact NZ-OD1 3.06Å; K78-D81 PolarHBondContact NZ-OD1 3.09Å; K78-D81 IonicContact NZ-OD2 2.81Å; K78-D81 PolarHBondContact NZ-OD2 3.22Å |
| 79 | I | 97.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 63.5 Ų | 63.5 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | trans | -58.7 | 143.5 | 167.6 | -162.3 | 74.6 | 0 | 0 | 0 | 109.9 | F189 R238 S239 D240 | I79-F189 HydrophobicContact CB-CD2 4.37Å; I79-F189 HydrophobicContact CD1-CD2 4.26Å; I79-R238 HydrophobicContact CD1-CB 3.83Å; I79-R238 HydrophobicContact CG1-CB 4.04Å; I79-S239 VanDerWaalsContact CD1-C 3.47Å; I79-D240 HydrophobicContact CD1-CB 4.18Å; I79-D240 VanDerWaalsContact CD1-OD2 3.23Å; I79-D240 WeakPolarHBondContact CD1-OD2 3.43Å | ||
| 80 | T | 96.7 | Very high | 94.7 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 10% | 0.098 | 34% | 0.34 | C | S | . | . | trans | -74.6 | 136.8 | 176.4 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | L76 D82 L84 D240 F242 H252 K254 | L76-T80 HydrophobicContact CD1-CG2 3.73Å; L76-T80 HydrophobicContact CD2-CG2 4.35Å; T80-D82 PolarHBondContact OG1-O 3.31Å; T80-L84 HydrophobicContact CG2-CD1 3.98Å; T80-L84 HydrophobicContact CG2-CD2 4.1Å; T80-L84 HydrophobicContact CG2-CG 4.04Å; T80-D240 WeakPolarHBondContact CB-OD2 3.25Å; T80-D240 PolarHBondContact N-OD2 2.91Å; T80-D240 PolarHBondContact OG1-OD1 3.25Å; T80-D240 PolarHBondContact OG1-OD2 3.15Å; T80-F242 HydrophobicContact CG2-CZ 4.16Å; T80-H252 PolarHBondContact OG1-CE1 3.05Å; T80-H252 PolarHBondContact OG1-NE2 2.83Å; T80-K254 PolarHBondContact O-NZ 3.19Å; T80-K254 PolarHBondContact OG1-NZ 3.44Å | ||
| 81 | D | 93.6 | Very high | 94.5 | Very high | 124 Ų | 124 | 65.9 Ų | 65.9 | 66% | 0.663 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -68.1 | -40.5 | -177.9 | -56.8 | -44 | 0 | 0 | 0 | 110.5 | K78 | K78-D81 VanDerWaalsContact NZ-CG 3.35Å; K78-D81 IonicContact NZ-OD1 3.06Å; K78-D81 PolarHBondContact NZ-OD1 3.09Å; K78-D81 IonicContact NZ-OD2 2.81Å; K78-D81 PolarHBondContact NZ-OD2 3.22Å |
| 82 | D | 93.5 | Very high | 94.5 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -127.9 | 174.4 | 178.2 | -73 | -50 | 0 | 0 | 0 | 112.6 | T80 L84 | T80-D82 PolarHBondContact OG1-O 3.31Å; D82-L84 PolarHBondContact O-N 2.84Å |
| 83 | Y | 95.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 63.7 Ų | 63.7 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | trans | -71.4 | 120.4 | 173 | -64.7 | -77.7 | 0 | 0 | 0 | 112.2 | C85 N147 R150 H252 K254 | Y83-C85 PolarHBondContact O-N 2.86Å; Y83-C85 VanDerWaalsContact O-N 3.14Å; Y83-N147 HydrophobicContact CD2-CB 4.34Å; Y83-N147 HydrophobicContact CE2-CB 3.65Å; Y83-R150 HydrophobicContact CE1-CB 3.92Å; Y83-R150 PolarHBondContact OH-O 3.48Å; Y83-H252 WeakPolarHBondContact CA-ND1 3.37Å; Y83-H252 HydrophobicContact CD1-CB 4.47Å; Y83-H252 AromaticContact CD1-ND1 3.98Å; Y83-H252 WeakPolarHBondContact CD1-O 3.21Å; Y83-H252 WeakPolarHBondContact CE1-O 3.39Å; Y83-K254 HydrophobicContact CD1-CD 4.08Å; Y83-K254 HydrophobicContact CD1-CG 4.21Å; Y83-K254 HydrophobicContact CE1-CB 4.21Å; Y83-K254 HydrophobicContact CE1-CD 3.67Å; Y83-K254 HydrophobicContact CE1-CG 3.67Å; Y83-K254 HydrophobicContact CE2-CD 4.45Å | ||
| 84 | L | 95.5 | Very high | 94.2 | Very high | 55 Ų | 55 | 63.8 Ų | 63.8 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -65.6 | -6.3 | 174.5 | -57.8 | -167.6 | 0 | 0 | 0 | 116.7 | S66 V68 V73 T80 D82 F242 L249 H252 | S66-L84 PolarHBondContact OG-O 2.92Å; V68-L84 HydrophobicContact CG1-CD1 3.99Å; V68-L84 HydrophobicContact CG2-CB 4.24Å; V68-L84 HydrophobicContact CG2-CD1 4.39Å; V73-L84 HydrophobicContact CG1-CD1 4.28Å; T80-L84 HydrophobicContact CG2-CD1 3.98Å; T80-L84 HydrophobicContact CG2-CD2 4.1Å; T80-L84 HydrophobicContact CG2-CG 4.04Å; D82-L84 PolarHBondContact O-N 2.84Å; L84-F242 HydrophobicContact CD1-CD1 4.41Å; L84-F242 HydrophobicContact CD1-CE1 3.65Å; L84-F242 HydrophobicContact CD1-CZ 4.28Å; L84-F242 HydrophobicContact CG-CE1 4.15Å; L84-L249 HydrophobicContact CB-CD2 3.74Å; L84-H252 PolarHBondContact N-ND1 2.76Å |
| 85 | C | 94.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -147.5 | 153.2 | 170.9 | 72 | 0 | 0 | 0 | 0 | 111.3 | Y83 A89 R150 L249 | Y83-C85 PolarHBondContact O-N 2.86Å; Y83-C85 VanDerWaalsContact O-N 3.14Å; C85-A89 HydrophobicContact CB-CB 3.96Å; C85-R150 PolarHBondContact O-NH1 2.63Å; C85-R150 PolarHBondContact O-NH2 2.79Å; C85-L249 HydrophobicContact CB-CD2 3.83Å; C85-L249 HydrophobicContact CB-CG 4.08Å |
| 86 | S | 92 | Very high | 93.9 | Very high | 75 Ų | 75 | 59 Ų | 59 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | trans | -71.5 | 159.2 | 174.4 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | N88 A89 | S86-N88 PolarHBondContact O-N 3.02Å; S86-A89 WeakPolarHBondContact O-CB 3.26Å; S86-A89 PolarHBondContact O-N 3.36Å | ||
| 87 | A | 88.7 | Confident | 93.6 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -59.3 | -34.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A89 N90 | A87-A89 PolarHBondContact O-N 3.2Å; A87-A89 VanDerWaalsContact O-N 3.09Å; A87-N90 PolarHBondContact O-N 2.99Å |
| 88 | N | 89.5 | Confident | 93.4 | Very high | 145 Ų | 145 | 56.9 Ų | 56.9 | 78% | 0.775 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -68.4 | -4.4 | 176 | -62.4 | -26.7 | 0 | 0 | 0 | 114.1 | S86 N90 | S86-N88 PolarHBondContact O-N 3.02Å; N88-N90 PolarHBondContact O-N 2.83Å |
| 89 | A | 93.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 55 Ų | 55 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -69.5 | -19.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C85 S86 A87 V91 V250 | C85-A89 HydrophobicContact CB-CB 3.96Å; S86-A89 WeakPolarHBondContact O-CB 3.26Å; S86-A89 PolarHBondContact O-N 3.36Å; A87-A89 PolarHBondContact O-N 3.2Å; A87-A89 VanDerWaalsContact O-N 3.09Å; A89-V91 PolarHBondContact O-N 2.87Å; A89-V250 CarbonylContact C-O 3.57Å; A89-V250 VanDerWaalsContact C-O 3.27Å; A89-V250 WeakPolarHBondContact CB-O 3.48Å |
| 90 | N | 93.3 | Very high | 93.1 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | trans | -74.8 | 60.4 | 176.8 | -172.7 | 16.6 | 0 | 0 | 0 | 112.4 | A87 N88 F92 E93 I94 V250 M251 | A87-N90 PolarHBondContact O-N 2.99Å; N88-N90 PolarHBondContact O-N 2.83Å; N90-F92 PolarHBondContact O-N 3.38Å; N90-F92 VanDerWaalsContact O-N 3.14Å; N90-E93 PolarHBondContact O-N 2.83Å; N90-E93 PolarHBondContact OD1-N 3.09Å; N90-I94 PolarHBondContact ND2-N 2.88Å; N90-I94 PolarHBondContact ND2-O 2.8Å; N90-I94 PolarHBondContact OD1-N 3.43Å; N90-V250 PolarHBondContact N-O 3.07Å; N90-M251 HydrophobicContact CB-CG 3.95Å; N90-M251 HydrophobicContact CB-SD 4.46Å | ||
| 91 | V | 93 | Very high | 92.9 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 39% | 0.394 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4 | -179.9 | -60.5 | 0 | 0 | 0 | 0 | 114 | A89 | A89-V91 PolarHBondContact O-N 2.87Š|
| 92 | F | 95.3 | Very high | 93 | Very high | 28 Ų | 28 | 53 Ų | 53 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 1 | 178.2 | -62.3 | -85.2 | 0 | 0 | 0 | 112.7 | N90 I94 G175 Q177 L179 V245 V250 | N90-F92 PolarHBondContact O-N 3.38Å; N90-F92 VanDerWaalsContact O-N 3.14Å; F92-I94 HydrophobicContact CB-CD1 4.22Å; F92-I94 HydrophobicContact CB-CG1 3.95Å; F92-I94 PolarHBondContact O-N 2.82Å; F92-G175 WeakPolarHBondContact O-CA 3.47Å; F92-G175 PolarHBondContact O-N 2.9Å; F92-Q177 HydrophobicContact CD1-CB 3.84Å; F92-Q177 HydrophobicContact CE1-CB 4.23Å; F92-L179 HydrophobicContact CB-CD2 3.42Å; F92-L179 VanDerWaalsContact CB-CD2 3.42Å; F92-L179 HydrophobicContact CD1-CD2 3.67Å; F92-L179 HydrophobicContact CD2-CD2 4.43Å; F92-L179 HydrophobicContact CG-CD2 3.6Å; F92-V245 HydrophobicContact CD2-CB 4.29Å; F92-V245 HydrophobicContact CD2-CG1 4.38Å; F92-V245 HydrophobicContact CD2-CG2 4.14Å; F92-V245 HydrophobicContact CE1-CG1 3.97Å; F92-V245 HydrophobicContact CE2-CB 3.82Å; F92-V245 HydrophobicContact CE2-CG1 3.8Å; F92-V245 HydrophobicContact CE2-CG2 4.18Å; F92-V245 HydrophobicContact CZ-CB 4.12Å; F92-V245 HydrophobicContact CZ-CG1 3.57Å; F92-V250 HydrophobicContact CD2-CG1 3.86Å; F92-V250 HydrophobicContact CE2-CG1 3.7Å |
| 93 | E | 94.2 | Very high | 93 | Very high | 118 Ų | 118 | 47.4 Ų | 47.4 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | trans | 52.8 | 43 | -179.5 | -48.9 | 166.4 | 154 | 0 | 0 | 110.9 | N90 D95 G175 S176 | N90-E93 PolarHBondContact O-N 2.83Å; N90-E93 PolarHBondContact OD1-N 3.09Å; E93-D95 PolarHBondContact O-N 3.45Å; E93-G175 VanDerWaalsContact OE2-CA 3.23Å; E93-G175 WeakPolarHBondContact OE2-CA 3.49Å; E93-S176 PolarHBondContact OE2-N 3.35Å | ||
| 94 | I | 94.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | trans | -70.9 | 119.3 | 175.2 | -58 | 166.4 | 0 | 0 | 0 | 106.9 | N90 F92 F96 F172 T173 L179 F182 V245 V250 M251 | N90-I94 PolarHBondContact ND2-N 2.88Å; N90-I94 PolarHBondContact ND2-O 2.8Å; N90-I94 PolarHBondContact OD1-N 3.43Å; F92-I94 HydrophobicContact CB-CD1 4.22Å; F92-I94 HydrophobicContact CB-CG1 3.95Å; F92-I94 PolarHBondContact O-N 2.82Å; I94-F96 HydrophobicContact CG2-CE2 4.24Å; I94-F96 HydrophobicContact CG2-CZ 4.19Å; I94-F172 HydrophobicContact CG2-CD2 4.06Å; I94-T173 WeakPolarHBondContact CA-O 3.32Å; I94-L179 HydrophobicContact CD1-CD1 3.75Å; I94-L179 HydrophobicContact CD1-CD2 3.85Å; I94-L179 HydrophobicContact CD1-CG 4.48Å; I94-L179 HydrophobicContact CG1-CD1 3.89Å; I94-L179 HydrophobicContact CG1-CD2 3.91Å; I94-F182 HydrophobicContact CD1-CD2 4.39Å; I94-F182 HydrophobicContact CD1-CE2 3.76Å; I94-F182 HydrophobicContact CD1-CZ 3.99Å; I94-F182 HydrophobicContact CG2-CZ 4.33Å; I94-V245 HydrophobicContact CD1-CG2 4.22Å; I94-V250 HydrophobicContact CD1-CG2 4.2Å; I94-M251 HydrophobicContact CB-CE 3.8Å; I94-M251 HydrophobicContact CB-SD 4.09Å; I94-M251 HydrophobicContact CD1-CE 3.74Å; I94-M251 HydrophobicContact CG1-CE 4.38Å; I94-M251 HydrophobicContact CG2-CE 3.66Å; I94-M251 HydrophobicContact CG2-SD 4.34Å | ||
| 95 | D | 93 | Very high | 92.6 | Very high | 33 Ų | 33 | 51 Ų | 51 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.8 | -179.3 | -166.4 | 20.2 | 0 | 0 | 0 | 112.3 | E93 T97 K115 F172 T173 | E93-D95 PolarHBondContact O-N 3.45Å; D95-T97 PolarHBondContact O-N 3.26Å; D95-K115 WeakPolarHBondContact OD1-CE 3.46Å; D95-K115 IonicContact OD1-NZ 3Å; D95-K115 PolarHBondContact OD1-NZ 2.64Å; D95-K115 IonicContact OD2-NZ 3.71Å; D95-K115 PolarHBondContact OD2-NZ 3.13Å; D95-F172 CarbonylContact O-C 3.59Å; D95-F172 WeakPolarHBondContact O-CA 3.42Å; D95-F172 VanDerWaalsContact O-CB 3.27Å; D95-F172 WeakPolarHBondContact O-CB 3.31Å; D95-T173 WeakPolarHBondContact CB-OG1 3.1Å; D95-T173 PolarHBondContact N-O 3.3Å; D95-T173 PolarHBondContact O-N 3.23Å |
| 96 | F | 92.1 | Very high | 92.5 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112 | 178.3 | -68.2 | -72.1 | 0 | 0 | 0 | 110.4 | I94 K115 V170 E171 F172 F182 Y243 M251 | I94-F96 HydrophobicContact CG2-CE2 4.24Å; I94-F96 HydrophobicContact CG2-CZ 4.19Å; F96-K115 WeakPolarHBondContact O-CE 3.34Å; F96-V170 HydrophobicContact CD1-CG1 3.35Å; F96-V170 HydrophobicContact CE1-CG1 3.62Å; F96-E171 CarbonylContact C-O 3.57Å; F96-F172 HydrophobicContact CD1-CB 3.65Å; F96-F172 HydrophobicContact CD1-CG 4.35Å; F96-F172 HydrophobicContact CE1-CB 3.95Å; F96-F172 HydrophobicContact CE1-CD1 4.25Å; F96-F172 HydrophobicContact CE1-CG 4.17Å; F96-F172 HydrophobicContact CG-CB 4.37Å; F96-F182 HydrophobicContact CZ-CZ 4.41Å; F96-Y243 HydrophobicContact CE1-CE1 4.26Å; F96-Y243 HydrophobicContact CE2-CE1 4.08Å; F96-Y243 HydrophobicContact CE2-CE2 4.35Å; F96-Y243 AromaticContact CE2-CZ 3.93Å; F96-Y243 HydrophobicContact CZ-CD1 4.04Å; F96-Y243 AromaticContact CZ-CE1 3.4Å; F96-Y243 HydrophobicContact CZ-CE1 3.4Å; F96-Y243 VanDerWaalsContact CZ-CE1 3.4Å; F96-Y243 HydrophobicContact CZ-CE2 4.45Å; F96-Y243 AromaticContact CZ-CZ 3.63Å; F96-M251 HydrophobicContact CE2-CE 3.51Å; F96-M251 HydrophobicContact CE2-SD 3.95Å; F96-M251 HydrophobicContact CZ-CE 3.93Å |
| 97 | T | 89.7 | Confident | 92.5 | Very high | 30 Ų | 30 | 53 Ų | 53 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -22.1 | -171.2 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | D95 A114 K115 E171 | D95-T97 PolarHBondContact O-N 3.26Å; T97-A114 CarbonylContact O-C 3.56Å; T97-A114 WeakPolarHBondContact O-CA 3.39Å; T97-K115 PolarHBondContact O-N 2.88Å; T97-E171 PolarHBondContact N-O 3.14Å; T97-E171 PolarHBondContact OG1-O 3.19Å |
| 98 | R | 91.9 | Very high | 92.7 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 141.6 | 177.3 | -167.5 | -174.8 | -176 | -177.6 | 5.4 | 111 | E112 I113 A114 V170 E171 | R98-E112 IonicContact CZ-OE1 2.62Å; R98-E112 IonicContact NE-OE1 3.51Å; R98-E112 PolarHBondContact NE-OE1 2.83Å; R98-E112 IonicContact NH2-OE1 3.39Å; R98-E112 PolarHBondContact NH2-OE1 3.33Å; R98-I113 CarbonylContact C-O 3.58Å; R98-I113 WeakPolarHBondContact CA-O 3.31Å; R98-I113 WeakPolarHBondContact CG-O 3.38Å; R98-A114 HydrophobicContact CB-CB 4.37Å; R98-A114 HydrophobicContact CG-CB 3.99Å; R98-V170 WeakPolarHBondContact O-CA 3.31Å; R98-E171 HydrophobicContact CB-CB 3.83Å; R98-E171 HydrophobicContact CB-CG 3.95Å; R98-E171 WeakPolarHBondContact CD-OE1 3.45Å; R98-E171 IonicContact CZ-OE1 3.29Å; R98-E171 PolarHBondContact N-O 3.49Å; R98-E171 IonicContact NE-OE1 3.02Å; R98-E171 IonicContact NH1-OE1 2.72Å; R98-E171 PolarHBondContact NH1-OE1 3.17Å; R98-E171 PolarHBondContact O-N 3.11Å |
| 99 | F | 92.2 | Very high | 92.8 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 20% | 0.202 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128.4 | 172.6 | -174.5 | -102.9 | 0 | 0 | 0 | 109.8 | I101 F111 E112 I113 Y154 A168 T169 V170 | F99-I101 HydrophobicContact CD1-CG1 4.31Å; F99-I101 HydrophobicContact CE1-CD1 3.52Å; F99-I101 HydrophobicContact CE1-CG1 3.43Å; F99-I101 VanDerWaalsContact CE1-CG1 3.43Å; F99-I101 HydrophobicContact CZ-CD1 3.91Å; F99-I101 HydrophobicContact CZ-CG1 3.73Å; F99-F111 AromaticContact CD1-CD1 3.83Å; F99-F111 HydrophobicContact CD1-CD1 3.83Å; F99-F111 AromaticContact CD1-CE1 3.87Å; F99-F111 HydrophobicContact CD1-CE1 3.87Å; F99-F111 HydrophobicContact CE1-CD1 4.2Å; F99-F111 HydrophobicContact CE1-CE1 4.47Å; F99-E112 WeakPolarHBondContact O-CA 3.3Å; F99-I113 HydrophobicContact CB-CG2 3.99Å; F99-I113 PolarHBondContact N-O 3.25Å; F99-I113 PolarHBondContact O-N 3.09Å; F99-Y154 HydrophobicContact CE1-CE1 4.35Å; F99-Y154 VanDerWaalsContact CE1-OH 3.24Å; F99-Y154 WeakPolarHBondContact CE1-OH 3.35Å; F99-A168 HydrophobicContact CE2-CB 4.06Å; F99-A168 HydrophobicContact CZ-CB 4.11Å; F99-T169 WeakPolarHBondContact CA-O 3.49Å; F99-V170 HydrophobicContact CD2-CG2 3.82Å; F99-V170 HydrophobicContact CE2-CG2 3.96Å |
| 100 | K | 93.3 | Very high | 92.7 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 125.6 | -178.8 | -177.8 | -173.3 | 71.4 | 177.9 | 0 | 110.4 | V109 F111 E112 A168 T169 | K100-V109 HydrophobicContact CD-CG1 4.45Å; K100-V109 HydrophobicContact CD-CG2 4.33Å; K100-V109 HydrophobicContact CG-CG1 4.05Å; K100-F111 CarbonylContact C-O 3.56Å; K100-F111 WeakPolarHBondContact CA-O 3.45Å; K100-E112 HydrophobicContact CB-CB 4.45Å; K100-E112 HydrophobicContact CB-CG 4.13Å; K100-E112 HydrophobicContact CG-CB 4.16Å; K100-E112 HydrophobicContact CG-CG 4.13Å; K100-A168 CarbonylContact O-C 3.56Å; K100-A168 WeakPolarHBondContact O-CA 3.44Å; K100-T169 PolarHBondContact N-O 3.36Å; K100-T169 PolarHBondContact O-N 2.63Å |
| 101 | I | 93.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 131.4 | 171.9 | -57.1 | 175.2 | 0 | 0 | 0 | 108.8 | F99 L110 F111 Y154 F156 F160 V166 G167 A168 | F99-I101 HydrophobicContact CD1-CG1 4.31Å; F99-I101 HydrophobicContact CE1-CD1 3.52Å; F99-I101 HydrophobicContact CE1-CG1 3.43Å; F99-I101 VanDerWaalsContact CE1-CG1 3.43Å; F99-I101 HydrophobicContact CZ-CD1 3.91Å; F99-I101 HydrophobicContact CZ-CG1 3.73Å; I101-L110 HydrophobicContact CG2-CB 4.33Å; I101-L110 HydrophobicContact CG2-CD1 4.19Å; I101-L110 PolarHBondContact O-N 2.76Å; I101-F111 HydrophobicContact CB-CB 4.16Å; I101-F111 HydrophobicContact CD1-CB 4.35Å; I101-F111 HydrophobicContact CG1-CB 4.41Å; I101-F111 PolarHBondContact N-O 3.29Å; I101-F111 PolarHBondContact O-N 3.3Å; I101-Y154 HydrophobicContact CD1-CE1 4.42Å; I101-F156 HydrophobicContact CD1-CZ 4.05Å; I101-F160 HydrophobicContact CG2-CE2 4.46Å; I101-V166 HydrophobicContact CG2-CB 4.16Å; I101-V166 HydrophobicContact CG2-CG2 4.44Å; I101-G167 WeakPolarHBondContact CA-O 3.43Å; I101-A168 HydrophobicContact CG1-CB 4.47Å |
| 102 | R | 94.4 | Very high | 92.4 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.6 | 171.2 | 67.9 | -177.7 | -177.1 | 92.7 | 0.9 | 111.4 | L104 A108 V166 G167 E214 | R102-L104 VanDerWaalsContact NH1-CD1 3.34Å; R102-L104 PolarHBondContact O-N 3.39Å; R102-A108 CarbonylContact C-O 3.5Å; R102-A108 WeakPolarHBondContact CA-O 3.27Å; R102-A108 WeakPolarHBondContact CB-O 3.29Å; R102-V166 CarbonylContact O-C 3.59Å; R102-V166 WeakPolarHBondContact O-CA 3.36Å; R102-V166 WeakPolarHBondContact O-CB 3.38Å; R102-G167 PolarHBondContact N-O 2.99Å; R102-G167 PolarHBondContact O-N 3.19Å; R102-E214 IonicContact CZ-OE1 2.83Å; R102-E214 IonicContact NE-OE1 3.2Å; R102-E214 PolarHBondContact NE-OE1 2.97Å; R102-E214 IonicContact NH2-OE1 3.27Å; R102-E214 PolarHBondContact NH2-OE1 2.91Å; R102-E214 IonicContact NH2-OE2 3.75Å; R102-E214 PolarHBondContact NH2-OE2 3.39Å |
| 103 | D | 93.3 | Very high | 92 | Very high | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 126.5 | 161.6 | 173.3 | 19.1 | 0 | 0 | 0 | 108.8 | E105 S106 G107 A108 L110 L163 | D103-E105 PolarHBondContact OD1-N 2.8Å; D103-S106 WeakPolarHBondContact CB-OG 3.19Å; D103-S106 WeakPolarHBondContact OD2-CB 3.4Å; D103-S106 PolarHBondContact OD2-N 2.9Å; D103-S106 PolarHBondContact OD2-OG 2.92Å; D103-G107 WeakPolarHBondContact O-CA 3.09Å; D103-G107 PolarHBondContact O-N 2.62Å; D103-A108 PolarHBondContact N-O 2.89Å; D103-L110 HydrophobicContact CB-CD1 4.25Å; D103-L163 HydrophobicContact CB-CD1 4.45Å; D103-L163 HydrophobicContact CB-CD2 4.27Å |
| 104 | L | 92 | Very high | 91.7 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -28.4 | -178.2 | -171.3 | 62.1 | 0 | 0 | 0 | 111.9 | R102 T165 I216 | R102-L104 VanDerWaalsContact NH1-CD1 3.34Å; R102-L104 PolarHBondContact O-N 3.39Å; L104-T165 WeakPolarHBondContact CB-O 3.18Å; L104-T165 PolarHBondContact N-O 2.76Å; L104-I216 HydrophobicContact CD1-CD1 4.43Å; L104-I216 HydrophobicContact CD2-CD1 4.32Å; L104-I216 HydrophobicContact CD2-CG2 3.9Å |
| 105 | E | 91.7 | Very high | 91 | Very high | 123 Ų | 123 | 52.8 Ų | 52.8 | 58% | 0.575 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -52.1 | -179.6 | -69.1 | -171.3 | 173.7 | 0 | 0 | 111.3 | D103 K164 | D103-E105 PolarHBondContact OD1-N 2.8Å; E105-K164 WeakPolarHBondContact OE1-CD 3.16Å; E105-K164 IonicContact OE1-NZ 3.73Å; E105-K164 PolarHBondContact OE1-NZ 3.14Å; E105-K164 IonicContact OE2-NZ 2.77Å |
| 106 | S | 92.5 | Very high | 89.8 | Confident | 82 Ų | 82 | 53.8 Ų | 53.8 | 57% | 0.573 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -20.6 | -179.5 | 69 | 0 | 0 | 0 | 0 | 114.8 | D103 A108 | D103-S106 WeakPolarHBondContact CB-OG 3.19Å; D103-S106 WeakPolarHBondContact OD2-CB 3.4Å; D103-S106 PolarHBondContact OD2-N 2.9Å; D103-S106 PolarHBondContact OD2-OG 2.92Å; S106-A108 PolarHBondContact O-N 3.23Å; S106-A108 WeakPolarHBondContact OG-CB 3.35Å; S106-A108 PolarHBondContact OG-N 3.08Å |
| 107 | G | 91.8 | Very high | 88.2 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | trans | 77.7 | 0.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D103 | D103-G107 WeakPolarHBondContact O-CA 3.09Å; D103-G107 PolarHBondContact O-N 2.62Å | ||
| 108 | A | 91.9 | Very high | 86.5 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | trans | -63.8 | 134.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R102 D103 S106 | R102-A108 CarbonylContact C-O 3.5Å; R102-A108 WeakPolarHBondContact CA-O 3.27Å; R102-A108 WeakPolarHBondContact CB-O 3.29Å; D103-A108 PolarHBondContact N-O 2.89Å; S106-A108 PolarHBondContact O-N 3.23Å; S106-A108 WeakPolarHBondContact OG-CB 3.35Å; S106-A108 PolarHBondContact OG-N 3.08Å | ||
| 109 | V | 92.4 | Very high | 84.3 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 121.4 | 173.4 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | K100 E112 | K100-V109 HydrophobicContact CD-CG1 4.45Å; K100-V109 HydrophobicContact CD-CG2 4.33Å; K100-V109 HydrophobicContact CG-CG1 4.05Å; V109-E112 HydrophobicContact CG1-CB 4.06Å |
| 110 | L | 90 | Very high | 81.7 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -30.6 | -176.9 | -56.7 | 174.1 | 0 | 0 | 0 | 111.6 | I101 D103 F160 L163 V166 | I101-L110 HydrophobicContact CG2-CB 4.33Å; I101-L110 HydrophobicContact CG2-CD1 4.19Å; I101-L110 PolarHBondContact O-N 2.76Å; D103-L110 HydrophobicContact CB-CD1 4.25Å; L110-F160 HydrophobicContact CD1-CD2 3.93Å; L110-F160 HydrophobicContact CD1-CE2 3.92Å; L110-L163 HydrophobicContact CD1-CD1 3.38Å; L110-V166 HydrophobicContact CD1-CG1 4.26Å |
| 111 | F | 89.5 | Confident | 79.4 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 19% | 0.189 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 141 | 178.8 | -177.4 | -95.4 | 0 | 0 | 0 | 109.6 | F99 K100 I101 I113 Y154 F156 | F99-F111 AromaticContact CD1-CD1 3.83Å; F99-F111 HydrophobicContact CD1-CD1 3.83Å; F99-F111 AromaticContact CD1-CE1 3.87Å; F99-F111 HydrophobicContact CD1-CE1 3.87Å; F99-F111 HydrophobicContact CE1-CD1 4.2Å; F99-F111 HydrophobicContact CE1-CE1 4.47Å; K100-F111 CarbonylContact C-O 3.56Å; K100-F111 WeakPolarHBondContact CA-O 3.45Å; I101-F111 HydrophobicContact CB-CB 4.16Å; I101-F111 HydrophobicContact CD1-CB 4.35Å; I101-F111 HydrophobicContact CG1-CB 4.41Å; I101-F111 PolarHBondContact N-O 3.29Å; I101-F111 PolarHBondContact O-N 3.3Å; F111-I113 HydrophobicContact CE1-CB 4.04Å; F111-I113 HydrophobicContact CE1-CG2 3.63Å; F111-I113 HydrophobicContact CZ-CB 4.18Å; F111-I113 HydrophobicContact CZ-CG2 4.09Å; F111-Y154 AromaticContact CD1-CE1 3.93Å; F111-Y154 HydrophobicContact CD1-CE1 3.93Å; F111-Y154 HydrophobicContact CD2-CD1 4.21Å; F111-Y154 HydrophobicContact CD2-CE1 4.23Å; F111-Y154 AromaticContact CE1-CE1 3.81Å; F111-Y154 HydrophobicContact CE1-CE1 3.81Å; F111-Y154 HydrophobicContact CE2-CD1 4.2Å; F111-Y154 HydrophobicContact CE2-CE1 4.11Å; F111-Y154 HydrophobicContact CG-CD1 4.44Å; F111-Y154 HydrophobicContact CG-CE1 4.13Å; F111-Y154 HydrophobicContact CZ-CD1 4.42Å; F111-Y154 AromaticContact CZ-CE1 3.9Å; F111-Y154 HydrophobicContact CZ-CE1 3.9Å; F111-F156 HydrophobicContact CB-CE1 4.17Å |
| 112 | E | 91 | Very high | 76.9 | Confident | 92 Ų | 92 | 75.4 Ų | 75.4 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 131.3 | 171.8 | -174.3 | 165.9 | -175 | 0 | 0 | 110.9 | R98 F99 K100 V109 | R98-E112 IonicContact CZ-OE1 2.62Å; R98-E112 IonicContact NE-OE1 3.51Å; R98-E112 PolarHBondContact NE-OE1 2.83Å; R98-E112 IonicContact NH2-OE1 3.39Å; R98-E112 PolarHBondContact NH2-OE1 3.33Å; F99-E112 WeakPolarHBondContact O-CA 3.3Å; K100-E112 HydrophobicContact CB-CB 4.45Å; K100-E112 HydrophobicContact CB-CG 4.13Å; K100-E112 HydrophobicContact CG-CB 4.16Å; K100-E112 HydrophobicContact CG-CG 4.13Å; V109-E112 HydrophobicContact CG1-CB 4.06Å |
| 113 | I | 87.5 | Confident | 74.6 | Confident | 36 Ų | 36 | 82.4 Ų | 82.4 | 19% | 0.185 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 141.8 | 171.8 | -167.6 | 168 | 0 | 0 | 0 | 109.2 | R98 F99 F111 A134 | R98-I113 CarbonylContact C-O 3.58Å; R98-I113 WeakPolarHBondContact CA-O 3.31Å; R98-I113 WeakPolarHBondContact CG-O 3.38Å; F99-I113 HydrophobicContact CB-CG2 3.99Å; F99-I113 PolarHBondContact N-O 3.25Å; F99-I113 PolarHBondContact O-N 3.09Å; F111-I113 HydrophobicContact CE1-CB 4.04Å; F111-I113 HydrophobicContact CE1-CG2 3.63Å; F111-I113 HydrophobicContact CZ-CB 4.18Å; F111-I113 HydrophobicContact CZ-CG2 4.09Å; I113-A134 HydrophobicContact CD1-CB 4.38Å |
| 114 | A | 88 | Confident | 72.7 | Confident | 52 Ų | 52 | 85.4 Ų | 85.4 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | T97 R98 | T97-A114 CarbonylContact O-C 3.56Å; T97-A114 WeakPolarHBondContact O-CA 3.39Å; R98-A114 HydrophobicContact CB-CB 4.37Å; R98-A114 HydrophobicContact CG-CB 3.99Å |
| 115 | K | 78.6 | Confident | 70.8 | Confident | 24 Ų | 24 | 87.2 Ų | 87.2 | 10% | 0.104 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 139.1 | 163.4 | -67.8 | -162.7 | -163.6 | -154.4 | 0 | 108.7 | D95 F96 T97 S127 T130 M131 | D95-K115 WeakPolarHBondContact OD1-CE 3.46Å; D95-K115 IonicContact OD1-NZ 3Å; D95-K115 PolarHBondContact OD1-NZ 2.64Å; D95-K115 IonicContact OD2-NZ 3.71Å; D95-K115 PolarHBondContact OD2-NZ 3.13Å; F96-K115 WeakPolarHBondContact O-CE 3.34Å; T97-K115 PolarHBondContact O-N 2.88Å; K115-S127 PolarHBondContact NZ-O 2.94Å; K115-T130 HydrophobicContact CB-CG2 4.21Å; K115-T130 HydrophobicContact CD-CG2 3.98Å; K115-T130 HydrophobicContact CG-CG2 4.3Å; K115-M131 HydrophobicContact CD-CG 4.13Å; K115-M131 HydrophobicContact CD-SD 3.98Å; K115-M131 WeakPolarHBondContact CE-SD 3.22Å; K115-M131 HydrophobicContact CG-CG 4.25Å; K115-M131 HydrophobicContact CG-SD 3.48Å; K115-M131 WeakPolarHBondContact CG-SD 3.46Å |
| 116 | P | 69.8 | Low | 69.2 | Low | 55 Ų | 55 | 84.1 Ų | 84.1 | 36% | 0.357 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 152.1 | 168.9 | -11.3 | 21.4 | 0 | 0 | 0 | 110.5 | S118 Y121 | P116-S118 PolarHBondContact O-N 3.31Å; P116-Y121 WeakPolarHBondContact CB-OH 3.23Å; P116-Y121 VanDerWaalsContact CD-OH 3.32Å; P116-Y121 WeakPolarHBondContact CD-OH 3.45Å; P116-Y121 WeakPolarHBondContact CG-OH 3.46Å; P116-Y121 PolarHBondContact O-OH 3.13Å |
| 117 | P | 56.6 | Low | 67.7 | Low | 85 Ų | 85 | 83.2 Ų | 83.2 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 137 | 177.7 | -20.7 | 31.7 | 0 | 0 | 0 | 112 | E119 Q120 Y121 | P117-E119 PolarHBondContact O-N 2.88Å; P117-Q120 PolarHBondContact O-N 2.89Å; P117-Y121 WeakPolarHBondContact O-CE2 3.45Å |
| 118 | S | 54.5 | Low | 66.3 | Low | 103 Ų | 103 | 85 Ų | 85 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -45.8 | -27.9 | 175.9 | -43.2 | 0 | 0 | 0 | 0 | 115.1 | P116 Q120 Y121 | P116-S118 PolarHBondContact O-N 3.31Å; S118-Q120 VanDerWaalsContact C-N 3.26Å; S118-Q120 PolarHBondContact O-N 2.9Å; S118-Y121 WeakPolarHBondContact O-CD2 3.27Å |
| 119 | E | 45.6 | Very low | 64.9 | Low | 192 Ų | 192 | 86.6 Ų | 86.6 | 90% | 0.897 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -76.5 | -6.5 | -172.6 | -64.3 | 177.6 | 174.8 | 0 | 0 | 114.2 | P117 | P117-E119 PolarHBondContact O-N 2.88Š|
| 120 | Q | 38.7 | Very low | 63.4 | Low | 159 Ų | 159 | 83.3 Ų | 83.3 | 74% | 0.743 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -104.2 | 7 | 178.1 | -70.2 | -176.3 | 0.4 | 0 | 0 | 114.4 | P117 S118 | P117-Q120 PolarHBondContact O-N 2.89Å; S118-Q120 VanDerWaalsContact C-N 3.26Å; S118-Q120 PolarHBondContact O-N 2.9Å |
| 121 | Y | 45 | Very low | 62.1 | Low | 72 Ų | 72 | 82 Ų | 82 | 28% | 0.282 | 46% | 0.462 | S | S | . | . | trans | -86.3 | 131 | -176.9 | -63.3 | -66.8 | 0 | 0 | 0 | 112.3 | P116 P117 S118 E123 T130 | P116-Y121 WeakPolarHBondContact CB-OH 3.23Å; P116-Y121 VanDerWaalsContact CD-OH 3.32Å; P116-Y121 WeakPolarHBondContact CD-OH 3.45Å; P116-Y121 WeakPolarHBondContact CG-OH 3.46Å; P116-Y121 PolarHBondContact O-OH 3.13Å; P117-Y121 WeakPolarHBondContact O-CE2 3.45Å; S118-Y121 WeakPolarHBondContact O-CD2 3.27Å; Y121-E123 PolarHBondContact O-N 2.94Å; Y121-T130 HydrophobicContact CE1-CG2 4.03Å; Y121-T130 HydrophobicContact CE2-CG2 4.36Å; Y121-T130 WeakPolarHBondContact OH-CG2 3.49Å | ||
| 122 | P | 40.8 | Very low | 60.8 | Low | 99 Ų | 99 | 81.6 Ų | 81.6 | 64% | 0.643 | 46% | 0.462 | S | S | * | . | trans | -63 | 128 | 159.4 | 28.3 | -30.9 | 0 | 0 | 0 | 107.8 | G124 | P122-G124 PolarHBondContact O-N 2.87Å; P122-G124 VanDerWaalsContact O-N 3.14Å | ||
| 123 | E | 45.3 | Very low | 59.3 | Low | 203 Ų | 203 | 80 Ų | 80 | 95% | 0.949 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.3 | 114.3 | 175.8 | -68.7 | -96.2 | 166.8 | 0 | 0 | 112.3 | Y121 | Y121-E123 PolarHBondContact O-N 2.94Š|
| 124 | G | 54.1 | Low | 57.9 | Low | 78 Ų | 78 | 79.2 Ų | 79.2 | 80% | 0.804 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.9 | -4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | P122 | P122-G124 PolarHBondContact O-N 2.87Å; P122-G124 VanDerWaalsContact O-N 3.14Å |
| 125 | L | 52 | Low | 56.4 | Low | 100 Ų | 100 | 78 Ų | 78 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | trans | -92.9 | 136.6 | 177.6 | -63.1 | 175.8 | 0 | 0 | 0 | 112.5 | E129 | L125-E129 VanDerWaalsContact CA-OE2 3.31Å; L125-E129 WeakPolarHBondContact CA-OE2 3.45Å; L125-E129 HydrophobicContact CB-CB 4.49Å; L125-E129 WeakPolarHBondContact CD2-OE2 3.38Å | ||
| 126 | S | 58.2 | Low | 55.2 | Low | 58 Ų | 58 | 80.1 Ų | 80.1 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | trans | -79.7 | 160.4 | 178.9 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | D128 E129 T130 | S126-D128 PolarHBondContact O-N 2.88Å; S126-D128 VanDerWaalsContact O-N 3.15Å; S126-E129 PolarHBondContact N-OE2 2.82Å; S126-E129 PolarHBondContact O-N 2.87Å; S126-E129 WeakPolarHBondContact OG-CG 3.25Å; S126-E129 PolarHBondContact OG-OE2 2.76Å; S126-E129 VanDerWaalsContact OG-OE2 3.12Å; S126-T130 PolarHBondContact O-N 2.99Å; S126-T130 VanDerWaalsContact O-N 3.15Å; S126-T130 PolarHBondContact O-OG1 2.85Å | ||
| 127 | S | 60.2 | Low | 54.4 | Low | 62 Ų | 62 | 86.5 Ų | 86.5 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57 | -29.5 | -179.9 | -66.9 | 0 | 0 | 0 | 0 | 113.6 | K115 T130 M131 | K115-S127 PolarHBondContact NZ-O 2.94Å; S127-T130 WeakPolarHBondContact O-CB 3.32Å; S127-M131 PolarHBondContact O-N 2.85Å |
| 128 | D | 62.3 | Low | 54.1 | Low | 81 Ų | 81 | 88.7 Ų | 88.7 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.4 | -43.4 | 179.3 | -62.8 | -33 | 0 | 0 | 0 | 111.2 | S126 T130 M131 L132 | S126-D128 PolarHBondContact O-N 2.88Å; S126-D128 VanDerWaalsContact O-N 3.15Å; D128-T130 PolarHBondContact O-N 2.89Å; D128-M131 PolarHBondContact O-N 3.44Å; D128-M131 VanDerWaalsContact O-N 3.12Å; D128-L132 PolarHBondContact O-N 2.71Å |
| 129 | E | 63.1 | Low | 53.5 | Low | 79 Ų | 79 | 87.3 Ų | 87.3 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -29.3 | 173.7 | -71.7 | 169 | 147.7 | 0 | 0 | 111.9 | L125 S126 L132 A133 | L125-E129 VanDerWaalsContact CA-OE2 3.31Å; L125-E129 WeakPolarHBondContact CA-OE2 3.45Å; L125-E129 HydrophobicContact CB-CB 4.49Å; L125-E129 WeakPolarHBondContact CD2-OE2 3.38Å; S126-E129 PolarHBondContact N-OE2 2.82Å; S126-E129 PolarHBondContact O-N 2.87Å; S126-E129 WeakPolarHBondContact OG-CG 3.25Å; S126-E129 PolarHBondContact OG-OE2 2.76Å; S126-E129 VanDerWaalsContact OG-OE2 3.12Å; E129-L132 WeakPolarHBondContact O-CB 3.4Å; E129-L132 PolarHBondContact O-N 2.93Å; E129-A133 PolarHBondContact O-N 2.62Å |
| 130 | T | 61 | Low | 53.3 | Low | 11 Ų | 11 | 86.3 Ų | 86.3 | 7% | 0.067 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | K115 Y121 S126 S127 D128 L132 A133 A134 | K115-T130 HydrophobicContact CB-CG2 4.21Å; K115-T130 HydrophobicContact CD-CG2 3.98Å; K115-T130 HydrophobicContact CG-CG2 4.3Å; Y121-T130 HydrophobicContact CE1-CG2 4.03Å; Y121-T130 HydrophobicContact CE2-CG2 4.36Å; Y121-T130 WeakPolarHBondContact OH-CG2 3.49Å; S126-T130 PolarHBondContact O-N 2.99Å; S126-T130 VanDerWaalsContact O-N 3.15Å; S126-T130 PolarHBondContact O-OG1 2.85Å; S127-T130 WeakPolarHBondContact O-CB 3.32Å; D128-T130 PolarHBondContact O-N 2.89Å; T130-L132 VanDerWaalsContact C-N 3.31Å; T130-A133 PolarHBondContact O-N 3.04Å; T130-A134 PolarHBondContact O-N 3.03Å |
| 131 | M | 61.9 | Low | 53.7 | Low | 37 Ų | 37 | 85.6 Ų | 85.6 | 18% | 0.182 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 172.1 | -80.1 | -63.3 | -66.7 | 0 | 0 | 110.5 | K115 S127 D128 A134 A135 | K115-M131 HydrophobicContact CD-CG 4.13Å; K115-M131 HydrophobicContact CD-SD 3.98Å; K115-M131 WeakPolarHBondContact CE-SD 3.22Å; K115-M131 HydrophobicContact CG-CG 4.25Å; K115-M131 HydrophobicContact CG-SD 3.48Å; K115-M131 WeakPolarHBondContact CG-SD 3.46Å; S127-M131 PolarHBondContact O-N 2.85Å; D128-M131 PolarHBondContact O-N 3.44Å; D128-M131 VanDerWaalsContact O-N 3.12Å; M131-A134 PolarHBondContact O-N 3.04Å; M131-A135 WeakPolarHBondContact O-CB 3.27Å; M131-A135 PolarHBondContact O-N 2.81Å |
| 132 | L | 62.4 | Low | 53.4 | Low | 35 Ų | 35 | 89.3 Ų | 89.3 | 18% | 0.183 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -56.3 | -52.1 | 174 | -179.7 | 71.1 | 0 | 0 | 0 | 110 | D128 E129 T130 A134 A135 E136 A148 | D128-L132 PolarHBondContact O-N 2.71Å; E129-L132 WeakPolarHBondContact O-CB 3.4Å; E129-L132 PolarHBondContact O-N 2.93Å; T130-L132 VanDerWaalsContact C-N 3.31Å; L132-A134 VanDerWaalsContact C-N 3.29Å; L132-A134 PolarHBondContact O-N 2.8Å; L132-A135 CarbonylContact O-C 3.58Å; L132-A135 PolarHBondContact O-N 2.86Å; L132-E136 HydrophobicContact CD1-CG 3.8Å; L132-E136 WeakPolarHBondContact CD2-OE1 3.37Å; L132-E136 HydrophobicContact CG-CG 3.83Å; L132-E136 WeakPolarHBondContact CG-OE1 3.33Å; L132-E136 WeakPolarHBondContact O-CA 3.28Å; L132-E136 WeakPolarHBondContact O-CB 3.39Å; L132-E136 VanDerWaalsContact O-CG 3.3Å; L132-E136 WeakPolarHBondContact O-CG 3.29Å; L132-E136 PolarHBondContact O-N 2.88Å; L132-A148 HydrophobicContact CB-CB 4.11Å; L132-A148 HydrophobicContact CD1-CB 3.6Å; L132-A148 HydrophobicContact CD2-CB 4.47Å; L132-A148 HydrophobicContact CG-CB 4.25Å |
| 133 | A | 59.1 | Low | 53.7 | Low | 59 Ų | 59 | 89.4 Ų | 89.4 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -35.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E129 T130 | E129-A133 PolarHBondContact O-N 2.62Å; T130-A133 PolarHBondContact O-N 3.04Å |
| 134 | A | 58.4 | Low | 54.3 | Low | 19 Ų | 19 | 84.2 Ų | 84.2 | 16% | 0.157 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -72.2 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I113 T130 M131 L132 | I113-A134 HydrophobicContact CD1-CB 4.38Å; T130-A134 PolarHBondContact O-N 3.03Å; M131-A134 PolarHBondContact O-N 3.04Å; L132-A134 VanDerWaalsContact C-N 3.29Å; L132-A134 PolarHBondContact O-N 2.8Å |
| 135 | A | 56.2 | Low | 54.5 | Low | 26 Ų | 26 | 84 Ų | 84 | 22% | 0.215 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -82.1 | -27.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M131 L132 K137 L138 S139 | M131-A135 WeakPolarHBondContact O-CB 3.27Å; M131-A135 PolarHBondContact O-N 2.81Å; L132-A135 CarbonylContact O-C 3.58Å; L132-A135 PolarHBondContact O-N 2.86Å; A135-K137 PolarHBondContact O-N 2.81Å; A135-L138 CarbonylContact O-C 3.52Å; A135-L138 VanDerWaalsContact O-CA 3.23Å; A135-L138 WeakPolarHBondContact O-CA 3.48Å; A135-L138 VanDerWaalsContact O-CB 3.24Å; A135-L138 WeakPolarHBondContact O-CB 3.28Å; A135-L138 PolarHBondContact O-N 2.81Å; A135-S139 PolarHBondContact O-N 2.83Å; A135-S139 VanDerWaalsContact O-N 3.11Å; A135-S139 PolarHBondContact O-OG 3.15Å |
| 136 | E | 53.6 | Low | 55 | Low | 69 Ų | 69 | 83.3 Ų | 83.3 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -26.7 | 177.6 | -89.4 | -179 | 169.8 | 0 | 0 | 111.3 | L132 L138 S139 | L132-E136 HydrophobicContact CD1-CG 3.8Å; L132-E136 WeakPolarHBondContact CD2-OE1 3.37Å; L132-E136 HydrophobicContact CG-CG 3.83Å; L132-E136 WeakPolarHBondContact CG-OE1 3.33Å; L132-E136 WeakPolarHBondContact O-CA 3.28Å; L132-E136 WeakPolarHBondContact O-CB 3.39Å; L132-E136 VanDerWaalsContact O-CG 3.3Å; L132-E136 WeakPolarHBondContact O-CG 3.29Å; L132-E136 PolarHBondContact O-N 2.88Å; E136-L138 PolarHBondContact O-N 3.08Å; E136-S139 WeakPolarHBondContact CA-O 3.48Å; E136-S139 PolarHBondContact O-N 2.85Å; E136-S139 VanDerWaalsContact O-N 3.14Å |
| 137 | K | 54.2 | Low | 55.5 | Low | 190 Ų | 190 | 82.2 Ų | 82.2 | 83% | 0.826 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -17.3 | 164.1 | -164.1 | -179.4 | 174.3 | -168.2 | 0 | 112.2 | A135 | A135-K137 PolarHBondContact O-N 2.81Š|
| 138 | L | 49.3 | Very low | 55.7 | Low | 131 Ų | 131 | 80.4 Ų | 80.4 | 69% | 0.686 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -10.6 | 176.6 | -61 | 168.6 | 0 | 0 | 0 | 114.4 | A135 E136 | A135-L138 CarbonylContact O-C 3.52Å; A135-L138 VanDerWaalsContact O-CA 3.23Å; A135-L138 WeakPolarHBondContact O-CA 3.48Å; A135-L138 VanDerWaalsContact O-CB 3.24Å; A135-L138 WeakPolarHBondContact O-CB 3.28Å; A135-L138 PolarHBondContact O-N 2.81Å; E136-L138 PolarHBondContact O-N 3.08Å |
| 139 | S | 42.8 | Very low | 56.5 | Low | 74 Ų | 74 | 77.5 Ų | 77.5 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | trans | -158 | 117.8 | 179.7 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | A135 E136 D141 | A135-S139 PolarHBondContact O-N 2.83Å; A135-S139 VanDerWaalsContact O-N 3.11Å; A135-S139 PolarHBondContact O-OG 3.15Å; E136-S139 WeakPolarHBondContact CA-O 3.48Å; E136-S139 PolarHBondContact O-N 2.85Å; E136-S139 VanDerWaalsContact O-N 3.14Å; S139-D141 PolarHBondContact O-N 2.8Å | ||
| 140 | L | 41.7 | Very low | 57.8 | Low | 171 Ų | 171 | 74.5 Ų | 74.5 | 90% | 0.895 | 43% | 0.433 | S | S | * | . | trans | -83 | 104.2 | 171.7 | -71.4 | 156.8 | 0 | 0 | 0 | 109.4 | ||||
| 141 | D | 45.8 | Very low | 59.3 | Low | 144 Ų | 144 | 78.4 Ų | 78.4 | 77% | 0.77 | 45% | 0.448 | S | S | * | . | trans | -158.7 | 117.8 | 147.4 | -121.7 | -17.3 | 0 | 0 | 0 | 111.3 | S139 T143 | S139-D141 PolarHBondContact O-N 2.8Å; D141-T143 PolarHBondContact O-N 3.27Å; D141-T143 VanDerWaalsContact O-N 3.15Å | ||
| 142 | D | 40.3 | Very low | 60.7 | Low | 149 Ų | 149 | 78.9 Ų | 78.9 | 80% | 0.797 | 45% | 0.453 | S | S | * | . | trans | -91.5 | 69.7 | -160.1 | -157.2 | -3.1 | 0 | 0 | 0 | 110.8 | ||||
| 143 | T | 47.1 | Very low | 62.1 | Low | 102 Ų | 102 | 84 Ų | 84 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | trans | -131.2 | 130.8 | 165.9 | 55.3 | 0 | 0 | 0 | 0 | 108.8 | D141 D145 | D141-T143 PolarHBondContact O-N 3.27Å; D141-T143 VanDerWaalsContact O-N 3.15Å; T143-D145 PolarHBondContact O-N 2.7Å | ||
| 144 | A | 56.2 | Low | 63.7 | Low | 93 Ų | 93 | 82.1 Ų | 82.1 | 77% | 0.769 | 45% | 0.45 | S | S | * | . | trans | -67.6 | 64.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P146 | A144-P146 WeakPolarHBondContact O-CD 3.47Š| ||
| 145 | D | 58.9 | Low | 65.3 | Low | 74 Ų | 74 | 87.4 Ų | 87.4 | 40% | 0.396 | 47% | 0.472 | S | S | . | . | trans | -65.6 | 119 | 171.7 | -179.5 | 1.1 | 0 | 0 | 0 | 106.9 | T143 N147 A148 | T143-D145 PolarHBondContact O-N 2.7Å; D145-N147 PolarHBondContact O-N 2.94Å; D145-N147 WeakPolarHBondContact OD1-CB 3.26Å; D145-N147 PolarHBondContact OD1-N 3.14Å; D145-N147 PolarHBondContact OD1-ND2 2.72Å; D145-A148 VanDerWaalsContact O-CB 3.25Å; D145-A148 WeakPolarHBondContact O-CB 3.48Å; D145-A148 PolarHBondContact O-N 3.02Å | ||
| 146 | P | 62.9 | Low | 67.1 | Low | 86 Ų | 86 | 86.8 Ų | 86.8 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -9.5 | 173.4 | 24.9 | -34.8 | 0 | 0 | 0 | 113 | A144 | A144-P146 WeakPolarHBondContact O-CD 3.47Š|
| 147 | N | 68 | Low | 69 | Low | 34 Ų | 34 | 87 Ų | 87 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.9 | 174.3 | -50 | -69.5 | 0 | 0 | 0 | 114.6 | Y83 D145 G149 R150 | Y83-N147 HydrophobicContact CD2-CB 4.34Å; Y83-N147 HydrophobicContact CE2-CB 3.65Å; D145-N147 PolarHBondContact O-N 2.94Å; D145-N147 WeakPolarHBondContact OD1-CB 3.26Å; D145-N147 PolarHBondContact OD1-N 3.14Å; D145-N147 PolarHBondContact OD1-ND2 2.72Å; N147-G149 PolarHBondContact O-N 2.76Å; N147-G149 VanDerWaalsContact O-N 3.09Å; N147-R150 HydrophobicContact CB-CB 4.42Å; N147-R150 WeakPolarHBondContact O-CB 3.44Å; N147-R150 PolarHBondContact O-N 3.02Å; N147-R150 PolarHBondContact OD1-NH1 2.97Å |
| 148 | A | 64.2 | Low | 70.8 | Confident | 24 Ų | 24 | 79.6 Ų | 79.6 | 20% | 0.198 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -51.7 | -36.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | L132 D145 | L132-A148 HydrophobicContact CB-CB 4.11Å; L132-A148 HydrophobicContact CD1-CB 3.6Å; L132-A148 HydrophobicContact CD2-CB 4.47Å; L132-A148 HydrophobicContact CG-CB 4.25Å; D145-A148 VanDerWaalsContact O-CB 3.25Å; D145-A148 WeakPolarHBondContact O-CB 3.48Å; D145-A148 PolarHBondContact O-N 3.02Å |
| 149 | G | 79.9 | Confident | 72.8 | Confident | 20 Ų | 20 | 76 Ų | 76 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -84.2 | -2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N147 | N147-G149 PolarHBondContact O-N 2.76Å; N147-G149 VanDerWaalsContact O-N 3.09Å |
| 150 | R | 90.4 | Very high | 75.2 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 6% | 0.06 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -104.7 | -0.1 | -171.6 | -59.3 | 174.2 | 61.8 | -174.4 | 8.2 | 113.4 | Y83 C85 N147 H252 N253 K254 | Y83-R150 HydrophobicContact CE1-CB 3.92Å; Y83-R150 PolarHBondContact OH-O 3.48Å; C85-R150 PolarHBondContact O-NH1 2.63Å; C85-R150 PolarHBondContact O-NH2 2.79Å; N147-R150 HydrophobicContact CB-CB 4.42Å; N147-R150 WeakPolarHBondContact O-CB 3.44Å; N147-R150 PolarHBondContact O-N 3.02Å; N147-R150 PolarHBondContact OD1-NH1 2.97Å; R150-H252 VanDerWaalsContact CZ-O 3.28Å; R150-H252 PolarHBondContact NE-O 2.98Å; R150-H252 PolarHBondContact NH2-O 3.31Å; R150-N253 CarbonylContact O-C 3.44Å; R150-N253 VanDerWaalsContact O-CA 3.23Å; R150-N253 WeakPolarHBondContact O-CA 3.38Å; R150-K254 PolarHBondContact O-N 3.14Å |
| 151 | Y | 92.2 | Very high | 77.6 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 37% | 0.365 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133 | 178.8 | -168.7 | -89.8 | 0 | 0 | 0 | 110.8 | R153 K254 D256 | Y151-R153 HydrophobicContact CE1-CB 4.29Å; Y151-K254 CarbonylContact C-O 3.52Å; Y151-K254 VanDerWaalsContact CA-O 3.31Å; Y151-K254 WeakPolarHBondContact CA-O 3.26Å; Y151-K254 HydrophobicContact CD2-CB 3.71Å; Y151-K254 HydrophobicContact CE2-CB 4.15Å; Y151-D256 PolarHBondContact OH-OD1 3.09Å; Y151-D256 PolarHBondContact OH-OD2 3.31Å |
| 152 | V | 91.3 | Very high | 79.7 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 29% | 0.291 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.4 | 175.5 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | Y154 K254 A255 D256 | V152-Y154 HydrophobicContact CB-CE2 3.91Å; V152-Y154 HydrophobicContact CG1-CD1 4.29Å; V152-Y154 HydrophobicContact CG1-CD2 4.05Å; V152-Y154 HydrophobicContact CG1-CE1 3.81Å; V152-Y154 HydrophobicContact CG1-CE2 3.56Å; V152-Y154 HydrophobicContact CG1-CG 4.4Å; V152-Y154 VanDerWaalsContact CG1-CZ 3.41Å; V152-K254 PolarHBondContact N-O 2.96Å; V152-A255 HydrophobicContact CB-CB 4.44Å; V152-A255 WeakPolarHBondContact O-CA 3.21Å; V152-A255 VanDerWaalsContact O-CB 3.23Å; V152-A255 WeakPolarHBondContact O-CB 3.25Å; V152-D256 PolarHBondContact O-N 3.41Å; V152-D256 VanDerWaalsContact O-N 3.14Å |
| 153 | R | 91.6 | Very high | 82.1 | Confident | 142 Ų | 142 | 60.1 Ų | 60.1 | 54% | 0.536 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.9 | 172.6 | 175.8 | 160.4 | -73 | 165.8 | 0.9 | 110.6 | Y151 F235 D256 | Y151-R153 HydrophobicContact CE1-CB 4.29Å; R153-F235 HydrophobicContact CG-CD1 4.01Å; R153-F235 HydrophobicContact CG-CE1 3.42Å; R153-F235 VanDerWaalsContact CG-CE1 3.42Å; R153-F235 HydrophobicContact CG-CZ 4.09Å; R153-D256 VanDerWaalsContact CA-OD1 3.25Å; R153-D256 WeakPolarHBondContact CA-OD1 3.5Å; R153-D256 VanDerWaalsContact CB-OD1 3.25Å; R153-D256 WeakPolarHBondContact CB-OD1 3.48Å; R153-D256 WeakPolarHBondContact CG-OD1 3.43Å; R153-D256 IonicContact CZ-OD1 2.7Å; R153-D256 IonicContact CZ-OD2 3.49Å; R153-D256 VanDerWaalsContact CZ-OD2 3.29Å; R153-D256 IonicContact NE-OD1 3.88Å; R153-D256 PolarHBondContact NE-OD1 3.03Å; R153-D256 IonicContact NE-OD2 3.29Å; R153-D256 PolarHBondContact NE-OD2 2.82Å; R153-D256 IonicContact NH2-OD2 3.39Å; R153-D256 PolarHBondContact NH2-OD2 2.95Å |
| 154 | Y | 93.1 | Very high | 84.2 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 8% | 0.078 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137 | 177.2 | -66.2 | -77 | 0 | 0 | 0 | 111.3 | F99 I101 F111 V152 F156 A255 D256 Y257 A258 | F99-Y154 HydrophobicContact CE1-CE1 4.35Å; F99-Y154 VanDerWaalsContact CE1-OH 3.24Å; F99-Y154 WeakPolarHBondContact CE1-OH 3.35Å; I101-Y154 HydrophobicContact CD1-CE1 4.42Å; F111-Y154 AromaticContact CD1-CE1 3.93Å; F111-Y154 HydrophobicContact CD1-CE1 3.93Å; F111-Y154 HydrophobicContact CD2-CD1 4.21Å; F111-Y154 HydrophobicContact CD2-CE1 4.23Å; F111-Y154 AromaticContact CE1-CE1 3.81Å; F111-Y154 HydrophobicContact CE1-CE1 3.81Å; F111-Y154 HydrophobicContact CE2-CD1 4.2Å; F111-Y154 HydrophobicContact CE2-CE1 4.11Å; F111-Y154 HydrophobicContact CG-CD1 4.44Å; F111-Y154 HydrophobicContact CG-CE1 4.13Å; F111-Y154 HydrophobicContact CZ-CD1 4.42Å; F111-Y154 AromaticContact CZ-CE1 3.9Å; F111-Y154 HydrophobicContact CZ-CE1 3.9Å; V152-Y154 HydrophobicContact CB-CE2 3.91Å; V152-Y154 HydrophobicContact CG1-CD1 4.29Å; V152-Y154 HydrophobicContact CG1-CD2 4.05Å; V152-Y154 HydrophobicContact CG1-CE1 3.81Å; V152-Y154 HydrophobicContact CG1-CE2 3.56Å; V152-Y154 HydrophobicContact CG1-CG 4.4Å; V152-Y154 VanDerWaalsContact CG1-CZ 3.41Å; Y154-F156 HydrophobicContact CD1-CE1 4.41Å; Y154-F156 AromaticContact CD1-CE2 3.91Å; Y154-F156 HydrophobicContact CD1-CE2 3.91Å; Y154-F156 AromaticContact CD1-CZ 3.54Å; Y154-F156 HydrophobicContact CD1-CZ 3.54Å; Y154-F156 HydrophobicContact CE1-CZ 4.29Å; Y154-F156 AromaticContact CG-CE2 3.8Å; Y154-F156 HydrophobicContact CG-CE2 3.8Å; Y154-F156 AromaticContact CG-CZ 3.95Å; Y154-F156 HydrophobicContact CG-CZ 3.95Å; Y154-A255 HydrophobicContact CD2-CB 4.06Å; Y154-A255 HydrophobicContact CE2-CB 3.86Å; Y154-D256 PolarHBondContact N-O 3.33Å; Y154-Y257 AromaticContact CD2-CD1 3.7Å; Y154-Y257 HydrophobicContact CD2-CD1 3.7Å; Y154-Y257 AromaticContact CD2-CE1 3.31Å; Y154-Y257 HydrophobicContact CD2-CE1 3.31Å; Y154-Y257 AromaticContact CD2-CZ 3.99Å; Y154-Y257 AromaticContact CE2-CE1 3.89Å; Y154-Y257 HydrophobicContact CE2-CE1 3.89Å; Y154-Y257 HydrophobicContact CG-CD1 4.03Å; Y154-Y257 AromaticContact CG-CE1 3.99Å; Y154-Y257 HydrophobicContact CG-CE1 3.99Å; Y154-Y257 WeakPolarHBondContact O-CA 3.35Å; Y154-A258 PolarHBondContact O-N 2.69Å |
| 155 | Q | 92.7 | Very high | 85.9 | Confident | 130 Ų | 130 | 58.4 Ų | 58.4 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 105.3 | 168.8 | -169.6 | 169.4 | 21 | 0 | 0 | 109.2 | A258 | Q155-A258 HydrophobicContact CG-CB 4.3Å |
| 156 | F | 93.5 | Very high | 87.6 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | trans | -108.1 | 160.7 | 178.9 | -64.9 | -57.8 | 0 | 0 | 0 | 110.8 | I101 F111 Y154 F160 Y257 A258 Y259 D260 G261 | I101-F156 HydrophobicContact CD1-CZ 4.05Å; F111-F156 HydrophobicContact CB-CE1 4.17Å; Y154-F156 HydrophobicContact CD1-CE1 4.41Å; Y154-F156 AromaticContact CD1-CE2 3.91Å; Y154-F156 HydrophobicContact CD1-CE2 3.91Å; Y154-F156 AromaticContact CD1-CZ 3.54Å; Y154-F156 HydrophobicContact CD1-CZ 3.54Å; Y154-F156 HydrophobicContact CE1-CZ 4.29Å; Y154-F156 AromaticContact CG-CE2 3.8Å; Y154-F156 HydrophobicContact CG-CE2 3.8Å; Y154-F156 AromaticContact CG-CZ 3.95Å; Y154-F156 HydrophobicContact CG-CZ 3.95Å; F156-F160 HydrophobicContact CB-CB 3.76Å; F156-F160 HydrophobicContact CB-CD1 4.44Å; F156-F160 HydrophobicContact CB-CD2 4.24Å; F156-F160 HydrophobicContact CB-CG 3.91Å; F156-F160 AromaticContact CD1-CD2 3.89Å; F156-F160 HydrophobicContact CD1-CD2 3.89Å; F156-F160 HydrophobicContact CD1-CE2 4.15Å; F156-F160 HydrophobicContact CD1-CG 4.41Å; F156-F160 HydrophobicContact CD2-CD1 4.02Å; F156-F160 HydrophobicContact CD2-CD2 4.1Å; F156-F160 AromaticContact CD2-CE1 4Å; F156-F160 HydrophobicContact CD2-CE1 4Å; F156-F160 HydrophobicContact CD2-CE2 4.1Å; F156-F160 HydrophobicContact CD2-CG 4.06Å; F156-F160 HydrophobicContact CD2-CZ 4.03Å; F156-F160 HydrophobicContact CE1-CD2 4.26Å; F156-F160 HydrophobicContact CE1-CE2 4.05Å; F156-F160 HydrophobicContact CE2-CD2 4.43Å; F156-F160 HydrophobicContact CE2-CE1 4.14Å; F156-F160 AromaticContact CE2-CE2 3.98Å; F156-F160 HydrophobicContact CE2-CE2 3.98Å; F156-F160 AromaticContact CE2-CZ 3.8Å; F156-F160 HydrophobicContact CE2-CZ 3.8Å; F156-F160 HydrophobicContact CG-CB 4.27Å; F156-F160 HydrophobicContact CG-CD1 4.3Å; F156-F160 AromaticContact CG-CD2 3.82Å; F156-F160 HydrophobicContact CG-CD2 3.82Å; F156-F160 HydrophobicContact CG-CE2 4.18Å; F156-F160 AromaticContact CG-CG 3.88Å; F156-F160 HydrophobicContact CG-CG 3.88Å; F156-F160 AromaticContact CZ-CE2 3.97Å; F156-F160 HydrophobicContact CZ-CE2 3.97Å; F156-F160 HydrophobicContact CZ-CZ 4.15Å; F156-Y257 HydrophobicContact CD2-CD1 4.48Å; F156-Y257 HydrophobicContact CE2-CD1 4.12Å; F156-Y257 HydrophobicContact CE2-CE1 4.49Å; F156-A258 PolarHBondContact N-O 3.12Å; F156-Y259 HydrophobicContact CB-CD1 4.17Å; F156-Y259 HydrophobicContact CD2-CD1 4.48Å; F156-Y259 HydrophobicContact CD2-CE1 4.2Å; F156-Y259 CarbonylContact O-C 3.6Å; F156-Y259 WeakPolarHBondContact O-CA 3.42Å; F156-D260 PolarHBondContact O-N 2.8Å; F156-G261 VanDerWaalsContact O-CA 3.31Å; F156-G261 WeakPolarHBondContact O-CA 3.31Å; F156-G261 PolarHBondContact O-N 2.79Å | ||
| 157 | T | 92.6 | Very high | 89.2 | Confident | 72 Ų | 72 | 51 Ų | 51 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | trans | -76.9 | 160.9 | 169.6 | 69.3 | 0 | 0 | 0 | 0 | 110.5 | A159 F160 Y259 G261 | T157-A159 PolarHBondContact O-N 3.33Å; T157-F160 VanDerWaalsContact O-CB 3.27Å; T157-F160 WeakPolarHBondContact O-CB 3.37Å; T157-F160 PolarHBondContact O-N 2.81Å; T157-Y259 CarbonylContact C-O 3.41Å; T157-G261 VanDerWaalsContact CA-O 3.3Å; T157-G261 WeakPolarHBondContact CA-O 3.5Å; T157-G261 WeakPolarHBondContact CB-O 3.44Å; T157-G261 WeakPolarHBondContact CG2-O 3.36Å | ||
| 158 | P | 93 | Very high | 90.4 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -55.6 | -28.5 | 176 | -28.4 | 34.1 | 0 | 0 | 0 | 113.7 | F160 L161 I231 Y259 | P158-F160 PolarHBondContact O-N 2.87Å; P158-F160 VanDerWaalsContact O-N 3.15Å; P158-L161 PolarHBondContact O-N 3.44Å; P158-L161 VanDerWaalsContact O-N 3.15Å; P158-I231 HydrophobicContact CB-CD1 3.85Å; P158-I231 HydrophobicContact CB-CG1 4.28Å; P158-I231 HydrophobicContact CG-CD1 4.47Å; P158-I231 HydrophobicContact CG-CG2 4.27Å; P158-Y259 VanDerWaalsContact CA-O 3.29Å; P158-Y259 WeakPolarHBondContact CA-O 3.41Å; P158-Y259 WeakPolarHBondContact CD-O 3.33Å; P158-Y259 WeakPolarHBondContact CG-O 3.23Å |
| 159 | A | 90.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -60.2 | -24.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | T157 L161 N162 | T157-A159 PolarHBondContact O-N 3.33Å; A159-L161 VanDerWaalsContact C-N 3.29Å; A159-L161 PolarHBondContact O-N 3.23Å; A159-N162 WeakPolarHBondContact O-CB 3.24Å; A159-N162 PolarHBondContact O-N 2.77Å; A159-N162 VanDerWaalsContact O-N 3.1Å |
| 160 | F | 92.5 | Very high | 92.5 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -58.9 | -39.9 | 175.9 | -173.4 | -92.7 | 0 | 0 | 0 | 112.2 | I101 L110 F156 T157 P158 N162 L163 F219 Y259 | I101-F160 HydrophobicContact CG2-CE2 4.46Å; L110-F160 HydrophobicContact CD1-CD2 3.93Å; L110-F160 HydrophobicContact CD1-CE2 3.92Å; F156-F160 HydrophobicContact CB-CB 3.76Å; F156-F160 HydrophobicContact CB-CD1 4.44Å; F156-F160 HydrophobicContact CB-CD2 4.24Å; F156-F160 HydrophobicContact CB-CG 3.91Å; F156-F160 AromaticContact CD1-CD2 3.89Å; F156-F160 HydrophobicContact CD1-CD2 3.89Å; F156-F160 HydrophobicContact CD1-CE2 4.15Å; F156-F160 HydrophobicContact CD1-CG 4.41Å; F156-F160 HydrophobicContact CD2-CD1 4.02Å; F156-F160 HydrophobicContact CD2-CD2 4.1Å; F156-F160 AromaticContact CD2-CE1 4Å; F156-F160 HydrophobicContact CD2-CE1 4Å; F156-F160 HydrophobicContact CD2-CE2 4.1Å; F156-F160 HydrophobicContact CD2-CG 4.06Å; F156-F160 HydrophobicContact CD2-CZ 4.03Å; F156-F160 HydrophobicContact CE1-CD2 4.26Å; F156-F160 HydrophobicContact CE1-CE2 4.05Å; F156-F160 HydrophobicContact CE2-CD2 4.43Å; F156-F160 HydrophobicContact CE2-CE1 4.14Å; F156-F160 AromaticContact CE2-CE2 3.98Å; F156-F160 HydrophobicContact CE2-CE2 3.98Å; F156-F160 AromaticContact CE2-CZ 3.8Å; F156-F160 HydrophobicContact CE2-CZ 3.8Å; F156-F160 HydrophobicContact CG-CB 4.27Å; F156-F160 HydrophobicContact CG-CD1 4.3Å; F156-F160 AromaticContact CG-CD2 3.82Å; F156-F160 HydrophobicContact CG-CD2 3.82Å; F156-F160 HydrophobicContact CG-CE2 4.18Å; F156-F160 AromaticContact CG-CG 3.88Å; F156-F160 HydrophobicContact CG-CG 3.88Å; F156-F160 AromaticContact CZ-CE2 3.97Å; F156-F160 HydrophobicContact CZ-CE2 3.97Å; F156-F160 HydrophobicContact CZ-CZ 4.15Å; T157-F160 VanDerWaalsContact O-CB 3.27Å; T157-F160 WeakPolarHBondContact O-CB 3.37Å; T157-F160 PolarHBondContact O-N 2.81Å; P158-F160 PolarHBondContact O-N 2.87Å; P158-F160 VanDerWaalsContact O-N 3.15Å; F160-N162 PolarHBondContact O-N 2.8Å; F160-L163 HydrophobicContact CD2-CD1 4Å; F160-L163 HydrophobicContact CE2-CD1 4.46Å; F160-L163 HydrophobicContact CG-CD1 4.47Å; F160-L163 WeakPolarHBondContact O-CB 3.4Å; F160-L163 WeakPolarHBondContact O-CG 3.39Å; F160-L163 PolarHBondContact O-N 2.78Å; F160-F219 AromaticContact CD1-CE2 3.87Å; F160-F219 HydrophobicContact CD1-CE2 3.87Å; F160-F219 HydrophobicContact CD1-CZ 4.18Å; F160-F219 AromaticContact CE1-CE2 3.56Å; F160-F219 HydrophobicContact CE1-CE2 3.56Å; F160-F219 AromaticContact CE1-CZ 3.4Å; F160-F219 HydrophobicContact CE1-CZ 3.4Å; F160-F219 VanDerWaalsContact CE1-CZ 3.4Å; F160-F219 HydrophobicContact CE2-CZ 4.34Å; F160-F219 HydrophobicContact CZ-CE2 4.01Å; F160-F219 AromaticContact CZ-CZ 3.51Å; F160-F219 HydrophobicContact CZ-CZ 3.51Å; F160-F219 WeakPolarHBondContact O-CE2 3.36Å; F160-Y259 HydrophobicContact CD1-CD1 4.13Å; F160-Y259 AromaticContact CD1-CE1 3.73Å; F160-Y259 HydrophobicContact CD1-CE1 3.73Å; F160-Y259 HydrophobicContact CE1-CE1 4.14Å |
| 161 | L | 92.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -69.9 | -13.4 | 179.2 | -64.7 | 176.1 | 0 | 0 | 0 | 113.3 | P158 A159 V227 M230 I231 Y259 | P158-L161 PolarHBondContact O-N 3.44Å; P158-L161 VanDerWaalsContact O-N 3.15Å; A159-L161 VanDerWaalsContact C-N 3.29Å; A159-L161 PolarHBondContact O-N 3.23Å; L161-V227 HydrophobicContact CB-CG1 4.23Å; L161-V227 HydrophobicContact CD1-CG1 3.89Å; L161-M230 HydrophobicContact CD1-CB 4.36Å; L161-M230 HydrophobicContact CD2-CE 3.84Å; L161-I231 HydrophobicContact CD1-CD1 4.31Å; L161-I231 HydrophobicContact CD1-CG1 3.86Å; L161-Y259 HydrophobicContact CD1-CD1 4.25Å; L161-Y259 HydrophobicContact CD1-CD2 3.94Å; L161-Y259 HydrophobicContact CD1-CG 3.76Å; L161-Y259 HydrophobicContact CD2-CD1 3.84Å; L161-Y259 HydrophobicContact CD2-CD2 4.17Å; L161-Y259 HydrophobicContact CD2-CE1 3.72Å; L161-Y259 HydrophobicContact CD2-CE2 4.03Å; L161-Y259 HydrophobicContact CD2-CG 4.07Å; L161-Y259 HydrophobicContact CG-CD1 3.84Å; L161-Y259 HydrophobicContact CG-CD2 4.33Å; L161-Y259 HydrophobicContact CG-CE1 4.25Å; L161-Y259 HydrophobicContact CG-CG 3.89Å |
| 162 | N | 89.8 | Confident | 92.8 | Very high | 128 Ų | 128 | 44.8 Ų | 44.8 | 68% | 0.684 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -91.9 | -5.8 | 176.8 | -64.5 | -30.8 | 0 | 0 | 0 | 113.1 | A159 F160 | A159-N162 WeakPolarHBondContact O-CB 3.24Å; A159-N162 PolarHBondContact O-N 2.77Å; A159-N162 VanDerWaalsContact O-N 3.1Å; F160-N162 PolarHBondContact O-N 2.8Å |
| 163 | L | 91.4 | Very high | 93 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | trans | -70.7 | 142.4 | 176.7 | -59.7 | 176.9 | 0 | 0 | 0 | 110.1 | D103 L110 F160 V166 F219 | D103-L163 HydrophobicContact CB-CD1 4.45Å; D103-L163 HydrophobicContact CB-CD2 4.27Å; L110-L163 HydrophobicContact CD1-CD1 3.38Å; F160-L163 HydrophobicContact CD2-CD1 4Å; F160-L163 HydrophobicContact CE2-CD1 4.46Å; F160-L163 HydrophobicContact CG-CD1 4.47Å; F160-L163 WeakPolarHBondContact O-CB 3.4Å; F160-L163 WeakPolarHBondContact O-CG 3.39Å; F160-L163 PolarHBondContact O-N 2.78Å; L163-V166 HydrophobicContact CB-CG1 4.24Å; L163-V166 HydrophobicContact CD1-CG1 3.69Å; L163-F219 HydrophobicContact CB-CD2 4.25Å; L163-F219 HydrophobicContact CB-CE2 4.19Å; L163-F219 WeakPolarHBondContact O-CB 3.45Å; L163-F219 VanDerWaalsContact O-CD2 3.23Å; L163-F219 WeakPolarHBondContact O-CD2 3.1Å | ||
| 164 | K | 90.2 | Very high | 93.2 | Very high | 130 Ų | 130 | 38.2 Ų | 38.2 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -85.3 | -42.7 | 174.2 | -60.2 | -170.1 | -154.1 | 121.7 | 0 | 112.2 | E105 F219 | E105-K164 WeakPolarHBondContact OE1-CD 3.16Å; E105-K164 IonicContact OE1-NZ 3.73Å; E105-K164 PolarHBondContact OE1-NZ 3.14Å; E105-K164 IonicContact OE2-NZ 2.77Å; K164-F219 PolarHBondContact O-N 3.06Å |
| 165 | T | 93.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 131.8 | -171.8 | 51.5 | 0 | 0 | 0 | 0 | 111 | L104 Y217 E218 | L104-T165 WeakPolarHBondContact CB-O 3.18Å; L104-T165 PolarHBondContact N-O 2.76Å; T165-Y217 VanDerWaalsContact CA-O 3.25Å; T165-Y217 WeakPolarHBondContact CA-O 3.41Å; T165-E218 HydrophobicContact CG2-CG 4.12Å |
| 166 | V | 94.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 143.5 | 173.4 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | I101 R102 L110 L163 Y217 F219 | I101-V166 HydrophobicContact CG2-CB 4.16Å; I101-V166 HydrophobicContact CG2-CG2 4.44Å; R102-V166 CarbonylContact O-C 3.59Å; R102-V166 WeakPolarHBondContact O-CA 3.36Å; R102-V166 WeakPolarHBondContact O-CB 3.38Å; L110-V166 HydrophobicContact CD1-CG1 4.26Å; L163-V166 HydrophobicContact CB-CG1 4.24Å; L163-V166 HydrophobicContact CD1-CG1 3.69Å; V166-Y217 HydrophobicContact CG2-CD2 4.5Å; V166-Y217 HydrophobicContact CG2-CG 4.28Å; V166-Y217 PolarHBondContact N-O 3.06Å; V166-Y217 PolarHBondContact O-N 2.81Å; V166-F219 HydrophobicContact CB-CZ 4.46Å; V166-F219 HydrophobicContact CG1-CE1 4.27Å; V166-F219 HydrophobicContact CG1-CE2 4.3Å; V166-F219 HydrophobicContact CG1-CZ 3.84Å; V166-F219 HydrophobicContact CG2-CD1 4.41Å; V166-F219 HydrophobicContact CG2-CE1 3.46Å; V166-F219 VanDerWaalsContact CG2-CE1 3.46Å; V166-F219 HydrophobicContact CG2-CZ 3.71Å |
| 167 | G | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I101 R102 | I101-G167 WeakPolarHBondContact CA-O 3.43Å; R102-G167 PolarHBondContact N-O 2.99Å; R102-G167 PolarHBondContact O-N 3.19Å |
| 168 | A | 94.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 106.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | F99 K100 I101 E214 H215 Y217 | F99-A168 HydrophobicContact CE2-CB 4.06Å; F99-A168 HydrophobicContact CZ-CB 4.11Å; K100-A168 CarbonylContact O-C 3.56Å; K100-A168 WeakPolarHBondContact O-CA 3.44Å; I101-A168 HydrophobicContact CG1-CB 4.47Å; A168-E214 WeakPolarHBondContact O-CA 3.45Å; A168-H215 PolarHBondContact N-O 3.29Å; A168-H215 PolarHBondContact O-N 3.2Å; A168-Y217 HydrophobicContact CB-CD2 4.03Å; A168-Y217 HydrophobicContact CB-CE2 3.58Å |
| 169 | T | 94.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.3 | 173.7 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | F99 K100 T212 V213 | F99-T169 WeakPolarHBondContact CA-O 3.49Å; K100-T169 PolarHBondContact N-O 3.36Å; K100-T169 PolarHBondContact O-N 2.63Å; T169-T212 HydrophobicContact CG2-CG2 3.76Å; T169-V213 CarbonylContact C-O 3.12Å; T169-V213 WeakPolarHBondContact CA-O 3.41Å |
| 170 | V | 93 | Very high | 94.3 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.6 | 176.7 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | F96 R98 F99 T212 V213 | F96-V170 HydrophobicContact CD1-CG1 3.35Å; F96-V170 HydrophobicContact CE1-CG1 3.62Å; R98-V170 WeakPolarHBondContact O-CA 3.31Å; F99-V170 HydrophobicContact CD2-CG2 3.82Å; F99-V170 HydrophobicContact CE2-CG2 3.96Å; V170-T212 WeakPolarHBondContact O-CA 3.35Å; V170-V213 HydrophobicContact CB-CG1 4.08Å; V170-V213 PolarHBondContact N-O 3.28Å; V170-V213 PolarHBondContact O-N 3.22Å |
| 171 | E | 94.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.1 | 167.1 | -59.4 | -175.8 | -152.7 | 0 | 0 | 109.8 | F96 T97 R98 K210 N211 T212 | F96-E171 CarbonylContact C-O 3.57Å; T97-E171 PolarHBondContact N-O 3.14Å; T97-E171 PolarHBondContact OG1-O 3.19Å; R98-E171 HydrophobicContact CB-CB 3.83Å; R98-E171 HydrophobicContact CB-CG 3.95Å; R98-E171 WeakPolarHBondContact CD-OE1 3.45Å; R98-E171 IonicContact CZ-OE1 3.29Å; R98-E171 PolarHBondContact N-O 3.49Å; R98-E171 IonicContact NE-OE1 3.02Å; R98-E171 IonicContact NH1-OE1 2.72Å; R98-E171 PolarHBondContact NH1-OE1 3.17Å; R98-E171 PolarHBondContact O-N 3.11Å; E171-K210 WeakPolarHBondContact OE2-CE 3.23Å; E171-K210 IonicContact OE2-NZ 2.88Å; E171-K210 PolarHBondContact OE2-NZ 2.94Å; E171-N211 VanDerWaalsContact CA-O 3.29Å; E171-N211 WeakPolarHBondContact CA-O 3.39Å; E171-T212 HydrophobicContact CG-CG2 3.92Å |
| 172 | F | 94.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.6 | 177.6 | 66.5 | -83.1 | 0 | 0 | 0 | 113 | I94 D95 F96 V174 L179 F182 F202 N211 V213 | I94-F172 HydrophobicContact CG2-CD2 4.06Å; D95-F172 CarbonylContact O-C 3.59Å; D95-F172 WeakPolarHBondContact O-CA 3.42Å; D95-F172 VanDerWaalsContact O-CB 3.27Å; D95-F172 WeakPolarHBondContact O-CB 3.31Å; F96-F172 HydrophobicContact CD1-CB 3.65Å; F96-F172 HydrophobicContact CD1-CG 4.35Å; F96-F172 HydrophobicContact CE1-CB 3.95Å; F96-F172 HydrophobicContact CE1-CD1 4.25Å; F96-F172 HydrophobicContact CE1-CG 4.17Å; F96-F172 HydrophobicContact CG-CB 4.37Å; F172-V174 HydrophobicContact CD2-CG2 4.16Å; F172-V174 HydrophobicContact CE2-CG2 3.92Å; F172-L179 HydrophobicContact CE2-CD1 4.38Å; F172-F182 HydrophobicContact CE2-CD1 4.32Å; F172-F182 AromaticContact CE2-CE1 3.99Å; F172-F182 HydrophobicContact CE2-CE1 3.99Å; F172-F182 HydrophobicContact CZ-CD1 4.2Å; F172-F182 AromaticContact CZ-CE1 3.98Å; F172-F182 HydrophobicContact CZ-CE1 3.98Å; F172-F202 AromaticContact CE1-CD1 3.74Å; F172-F202 HydrophobicContact CE1-CD1 3.74Å; F172-F202 AromaticContact CE1-CE1 3.81Å; F172-F202 HydrophobicContact CE1-CE1 3.81Å; F172-F202 AromaticContact CZ-CD1 3.84Å; F172-F202 HydrophobicContact CZ-CD1 3.84Å; F172-F202 HydrophobicContact CZ-CE1 4.26Å; F172-N211 HydrophobicContact CD1-CB 4.09Å; F172-N211 HydrophobicContact CD2-CB 4.31Å; F172-N211 HydrophobicContact CE1-CB 3.62Å; F172-N211 HydrophobicContact CE2-CB 3.87Å; F172-N211 HydrophobicContact CG-CB 4.41Å; F172-N211 HydrophobicContact CZ-CB 3.5Å; F172-N211 PolarHBondContact N-O 2.75Å; F172-N211 PolarHBondContact O-N 3.27Å; F172-V213 HydrophobicContact CE1-CG1 4.3Å |
| 173 | T | 95.5 | Very high | 95 | Very high | 45 Ų | 45 | 36.1 Ų | 36.1 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 156.9 | 171.9 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | I94 D95 S209 K210 | I94-T173 WeakPolarHBondContact CA-O 3.32Å; D95-T173 WeakPolarHBondContact CB-OG1 3.1Å; D95-T173 PolarHBondContact N-O 3.3Å; D95-T173 PolarHBondContact O-N 3.23Å; T173-S209 CarbonylContact C-O 3.59Å; T173-S209 VanDerWaalsContact CA-O 3.27Å; T173-S209 WeakPolarHBondContact CA-O 3.47Å; T173-K210 HydrophobicContact CG2-CB 4.24Å; T173-K210 HydrophobicContact CG2-CG 4.25Å |
| 174 | V | 96.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | trans | -118.8 | 138.6 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | F172 Q177 L179 C205 F208 S209 | F172-V174 HydrophobicContact CD2-CG2 4.16Å; F172-V174 HydrophobicContact CE2-CG2 3.92Å; V174-Q177 VanDerWaalsContact CG1-O 3.26Å; V174-Q177 WeakPolarHBondContact CG1-O 3.34Å; V174-L179 HydrophobicContact CG1-CD1 4.42Å; V174-L179 HydrophobicContact CG1-CD2 3.91Å; V174-L179 HydrophobicContact CG1-CG 3.79Å; V174-L179 HydrophobicContact CG2-CD1 3.75Å; V174-L179 HydrophobicContact CG2-CG 3.97Å; V174-C205 HydrophobicContact CG2-CB 3.87Å; V174-F208 WeakPolarHBondContact O-CA 3.21Å; V174-F208 PolarHBondContact O-N 3.49Å; V174-F208 VanDerWaalsContact O-N 3.14Å; V174-S209 PolarHBondContact N-O 3.29Å | ||
| 175 | G | 95.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 7% | 0.072 | 16% | 0.159 | C | C | . | . | trans | -69.9 | -153.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F92 E93 Q177 P207 F208 | F92-G175 WeakPolarHBondContact O-CA 3.47Å; F92-G175 PolarHBondContact O-N 2.9Å; E93-G175 VanDerWaalsContact OE2-CA 3.23Å; E93-G175 WeakPolarHBondContact OE2-CA 3.49Å; G175-Q177 VanDerWaalsContact C-N 3.26Å; G175-Q177 PolarHBondContact O-N 3.29Å; G175-P207 CarbonylContact O-C 3.27Å; G175-P207 WeakPolarHBondContact O-CA 3.28Å; G175-F208 PolarHBondContact O-N 2.9Å | ||
| 176 | S | 96.6 | Very high | 95.8 | Very high | 66 Ų | 66 | 27.9 Ų | 27.9 | 46% | 0.462 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -70.9 | -14.7 | -175.5 | 61.7 | 0 | 0 | 0 | 0 | 115.5 | E93 F208 | E93-S176 PolarHBondContact OE2-N 3.35Å; S176-F208 VanDerWaalsContact CA-CZ 3.45Å; S176-F208 VanDerWaalsContact CB-CZ 3.44Å |
| 177 | Q | 96.6 | Very high | 96 | Very high | 97 Ų | 97 | 28.2 Ų | 28.2 | 45% | 0.453 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -107.2 | 141.7 | -178.5 | -64.9 | -172.9 | 30.5 | 0 | 0 | 111.7 | F92 V174 G175 | F92-Q177 HydrophobicContact CD1-CB 3.84Å; F92-Q177 HydrophobicContact CE1-CB 4.23Å; V174-Q177 VanDerWaalsContact CG1-O 3.26Å; V174-Q177 WeakPolarHBondContact CG1-O 3.34Å; G175-Q177 VanDerWaalsContact C-N 3.26Å; G175-Q177 PolarHBondContact O-N 3.29Å |
| 178 | P | 96.7 | Very high | 96.1 | Very high | 48 Ų | 48 | 29.3 Ų | 29.3 | 31% | 0.312 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 144.7 | 177.7 | 29.1 | -33.6 | 0 | 0 | 0 | 111.1 | F204 P207 | P178-F204 HydrophobicContact CB-CE2 3.81Å; P178-F204 HydrophobicContact CB-CZ 3.81Å; P178-P207 HydrophobicContact CB-CG 4.03Å; P178-P207 HydrophobicContact CG-CG 4.48Å |
| 179 | L | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.3 | 168.7 | -47.2 | -173.6 | 0 | 0 | 0 | 109 | F92 I94 F172 V174 F182 F204 C205 V245 | F92-L179 HydrophobicContact CB-CD2 3.42Å; F92-L179 VanDerWaalsContact CB-CD2 3.42Å; F92-L179 HydrophobicContact CD1-CD2 3.67Å; F92-L179 HydrophobicContact CD2-CD2 4.43Å; F92-L179 HydrophobicContact CG-CD2 3.6Å; I94-L179 HydrophobicContact CD1-CD1 3.75Å; I94-L179 HydrophobicContact CD1-CD2 3.85Å; I94-L179 HydrophobicContact CD1-CG 4.48Å; I94-L179 HydrophobicContact CG1-CD1 3.89Å; I94-L179 HydrophobicContact CG1-CD2 3.91Å; F172-L179 HydrophobicContact CE2-CD1 4.38Å; V174-L179 HydrophobicContact CG1-CD1 4.42Å; V174-L179 HydrophobicContact CG1-CD2 3.91Å; V174-L179 HydrophobicContact CG1-CG 3.79Å; V174-L179 HydrophobicContact CG2-CD1 3.75Å; V174-L179 HydrophobicContact CG2-CG 3.97Å; L179-F182 HydrophobicContact CB-CB 3.98Å; L179-F182 HydrophobicContact CB-CG 4.47Å; L179-F182 HydrophobicContact CD1-CB 4.12Å; L179-F182 HydrophobicContact CD1-CD1 3.69Å; L179-F182 HydrophobicContact CD1-CD2 4.13Å; L179-F182 HydrophobicContact CD1-CE1 4.09Å; L179-F182 HydrophobicContact CD1-CE2 4.47Å; L179-F182 HydrophobicContact CD1-CG 3.73Å; L179-F182 HydrophobicContact CD1-CZ 4.47Å; L179-F204 WeakPolarHBondContact O-CA 3.19Å; L179-F204 WeakPolarHBondContact O-CD2 3.46Å; L179-C205 HydrophobicContact CB-CB 3.93Å; L179-C205 HydrophobicContact CD1-CB 3.95Å; L179-C205 HydrophobicContact CG-CB 3.95Å; L179-C205 PolarHBondContact N-O 2.91Å; L179-C205 PolarHBondContact O-N 3.43Å; L179-V245 HydrophobicContact CB-CG1 4.43Å; L179-V245 HydrophobicContact CB-CG2 4.48Å; L179-V245 HydrophobicContact CD2-CG2 4.11Å |
| 180 | N | 95.5 | Very high | 96.4 | Very high | 79 Ų | 79 | 28.6 Ų | 28.6 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.2 | 173 | -66.1 | -72.9 | 0 | 0 | 0 | 109.6 | F182 F204 G246 | N180-F182 VanDerWaalsContact C-N 3.27Å; N180-F182 PolarHBondContact O-N 3.29Å; N180-F204 WeakPolarHBondContact OD1-CD2 3.39Å; N180-F204 WeakPolarHBondContact OD1-CE2 3.23Å; N180-G246 PolarHBondContact O-N 3.36Å |
| 181 | N | 95.1 | Very high | 96.5 | Very high | 111 Ų | 111 | 32.7 Ų | 32.7 | 59% | 0.594 | 17% | 0.169 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 50 | 47.9 | 179.6 | -57.1 | -12.8 | 0 | 0 | 0 | 112.2 | R183 | N181-R183 PolarHBondContact O-N 3.2Å |
| 182 | F | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 123.2 | 177.7 | -173.9 | -139.1 | 0 | 0 | 0 | 109.4 | I94 F96 F172 L179 N180 F202 G203 Y243 F244 V245 M251 | I94-F182 HydrophobicContact CD1-CD2 4.39Å; I94-F182 HydrophobicContact CD1-CE2 3.76Å; I94-F182 HydrophobicContact CD1-CZ 3.99Å; I94-F182 HydrophobicContact CG2-CZ 4.33Å; F96-F182 HydrophobicContact CZ-CZ 4.41Å; F172-F182 HydrophobicContact CE2-CD1 4.32Å; F172-F182 AromaticContact CE2-CE1 3.99Å; F172-F182 HydrophobicContact CE2-CE1 3.99Å; F172-F182 HydrophobicContact CZ-CD1 4.2Å; F172-F182 AromaticContact CZ-CE1 3.98Å; F172-F182 HydrophobicContact CZ-CE1 3.98Å; L179-F182 HydrophobicContact CB-CB 3.98Å; L179-F182 HydrophobicContact CB-CG 4.47Å; L179-F182 HydrophobicContact CD1-CB 4.12Å; L179-F182 HydrophobicContact CD1-CD1 3.69Å; L179-F182 HydrophobicContact CD1-CD2 4.13Å; L179-F182 HydrophobicContact CD1-CE1 4.09Å; L179-F182 HydrophobicContact CD1-CE2 4.47Å; L179-F182 HydrophobicContact CD1-CG 3.73Å; L179-F182 HydrophobicContact CD1-CZ 4.47Å; N180-F182 VanDerWaalsContact C-N 3.27Å; N180-F182 PolarHBondContact O-N 3.29Å; F182-F202 HydrophobicContact CB-CB 4.04Å; F182-F202 HydrophobicContact CD1-CB 3.54Å; F182-F202 AromaticContact CD1-CD1 3.8Å; F182-F202 HydrophobicContact CD1-CD1 3.8Å; F182-F202 AromaticContact CD1-CD2 3.68Å; F182-F202 HydrophobicContact CD1-CD2 3.68Å; F182-F202 HydrophobicContact CD1-CE1 4.35Å; F182-F202 HydrophobicContact CD1-CE2 4.28Å; F182-F202 AromaticContact CD1-CG 3.42Å; F182-F202 HydrophobicContact CD1-CG 3.42Å; F182-F202 VanDerWaalsContact CD1-CG 3.42Å; F182-F202 HydrophobicContact CE1-CB 4.4Å; F182-F202 AromaticContact CE1-CD1 3.81Å; F182-F202 HydrophobicContact CE1-CD1 3.81Å; F182-F202 AromaticContact CE1-CD2 3.93Å; F182-F202 HydrophobicContact CE1-CD2 3.93Å; F182-F202 AromaticContact CE1-CE1 3.89Å; F182-F202 HydrophobicContact CE1-CE1 3.89Å; F182-F202 HydrophobicContact CE1-CE2 4.06Å; F182-F202 AromaticContact CE1-CG 3.82Å; F182-F202 HydrophobicContact CE1-CG 3.82Å; F182-F202 HydrophobicContact CE1-CZ 4.02Å; F182-F202 HydrophobicContact CG-CB 4.12Å; F182-F202 HydrophobicContact CG-CD2 4.17Å; F182-F202 HydrophobicContact CG-CG 4.22Å; F182-F202 HydrophobicContact CZ-CE2 4.48Å; F182-F202 WeakPolarHBondContact O-CA 3.21Å; F182-F202 WeakPolarHBondContact O-CB 3.35Å; F182-F202 PolarHBondContact O-N 3.38Å; F182-G203 WeakPolarHBondContact CB-O 3.04Å; F182-G203 PolarHBondContact N-O 3.49Å; F182-G203 PolarHBondContact O-N 3.22Å; F182-Y243 AromaticContact CE2-CD1 3.82Å; F182-Y243 HydrophobicContact CE2-CD1 3.82Å; F182-Y243 HydrophobicContact CE2-CG 4.37Å; F182-Y243 AromaticContact CZ-CD1 3.58Å; F182-Y243 HydrophobicContact CZ-CD1 3.58Å; F182-Y243 HydrophobicContact CZ-CE1 4.25Å; F182-Y243 HydrophobicContact CZ-CG 4.45Å; F182-F244 WeakPolarHBondContact CA-O 3.39Å; F182-F244 WeakPolarHBondContact CD2-O 3.08Å; F182-V245 HydrophobicContact CD2-CG2 3.72Å; F182-V245 HydrophobicContact CE2-CG2 4.29Å; F182-M251 HydrophobicContact CE2-CE 4.36Å; F182-M251 HydrophobicContact CZ-CE 4.19Å |
| 183 | R | 97 | Very high | 96.4 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.1 | -171 | -179.9 | 179.9 | 176 | -165.7 | -3.7 | 109.6 | N181 I185 D199 F200 E201 Y243 F244 | N181-R183 PolarHBondContact O-N 3.2Å; R183-I185 HydrophobicContact CG-CG1 4.48Å; R183-D199 IonicContact CZ-OD1 3.54Å; R183-D199 IonicContact CZ-OD2 3.02Å; R183-D199 IonicContact NE-OD1 2.76Å; R183-D199 PolarHBondContact NE-OD1 3.35Å; R183-D199 IonicContact NE-OD2 3.19Å; R183-D199 VanDerWaalsContact NH2-CG 3.27Å; R183-D199 IonicContact NH2-OD1 2.62Å; R183-D199 PolarHBondContact NH2-OD1 2.88Å; R183-D199 IonicContact NH2-OD2 2.77Å; R183-D199 PolarHBondContact NH2-OD2 2.96Å; R183-F200 CarbonylContact C-O 3.52Å; R183-F200 VanDerWaalsContact CA-O 3.31Å; R183-F200 WeakPolarHBondContact CA-O 3.32Å; R183-F200 WeakPolarHBondContact CG-O 3.37Å; R183-E201 HydrophobicContact CG-CG 4.17Å; R183-Y243 CarbonylContact O-C 3.51Å; R183-Y243 WeakPolarHBondContact O-CA 3.38Å; R183-F244 PolarHBondContact N-O 2.7Å; R183-F244 PolarHBondContact O-N 3.16Å |
| 184 | M | 97 | Very high | 96.5 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.2 | 171.2 | 179 | -176.7 | 79.8 | 0 | 0 | 109.7 | F200 F202 F242 Y243 | M184-F200 HydrophobicContact CE-CD2 3.49Å; M184-F200 VanDerWaalsContact CE-CD2 3.49Å; M184-F200 HydrophobicContact CE-CE2 4.03Å; M184-F200 HydrophobicContact CE-CG 4.41Å; M184-F200 PolarHBondContact N-O 3.22Å; M184-F200 PolarHBondContact O-N 3.38Å; M184-F202 HydrophobicContact CB-CE2 3.56Å; M184-F202 HydrophobicContact CB-CZ 4.23Å; M184-F242 CarbonylContact C-O 3.57Å; M184-F242 VanDerWaalsContact CA-O 3.28Å; M184-F242 WeakPolarHBondContact CA-O 3.4Å; M184-Y243 HydrophobicContact CB-CD1 3.89Å; M184-Y243 HydrophobicContact CB-CE1 3.84Å; M184-Y243 HydrophobicContact CG-CD1 4.07Å; M184-Y243 HydrophobicContact CG-CE1 3.73Å; M184-Y243 HydrophobicContact CG-CE2 4.46Å; M184-Y243 HydrophobicContact SD-CD1 4.41Å; M184-Y243 HydrophobicContact SD-CE1 3.49Å; M184-Y243 WeakPolarHBondContact SD-CE1 3.47Å; M184-Y243 HydrophobicContact SD-CE2 4.33Å; M184-Y243 PolarHBondContact SD-OH 2.78Å |
| 185 | I | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.7 | 169.8 | -62.2 | 171.5 | 0 | 0 | 0 | 107 | P70 V73 L74 R183 R187 T197 F198 F242 F244 | P70-I185 HydrophobicContact CB-CD1 3.83Å; V73-I185 HydrophobicContact CG2-CB 4.29Å; V73-I185 HydrophobicContact CG2-CD1 3.78Å; V73-I185 HydrophobicContact CG2-CG2 4.14Å; L74-I185 HydrophobicContact CD1-CD1 4.38Å; L74-I185 HydrophobicContact CD2-CD1 4.29Å; L74-I185 HydrophobicContact CD2-CG2 3.8Å; L74-I185 HydrophobicContact CG-CD1 4.06Å; L74-I185 HydrophobicContact CG-CG2 4.44Å; R183-I185 HydrophobicContact CG-CG1 4.48Å; I185-R187 HydrophobicContact CG2-CG 4.34Å; I185-T197 HydrophobicContact CG2-CG2 4.29Å; I185-F198 CarbonylContact C-O 3.59Å; I185-F198 WeakPolarHBondContact CA-O 3.18Å; I185-F242 PolarHBondContact N-O 3.15Å; I185-F242 WeakPolarHBondContact O-CD2 3.4Å; I185-F242 PolarHBondContact O-N 2.74Å; I185-F244 HydrophobicContact CD1-CD2 4.37Å; I185-F244 HydrophobicContact CD1-CE2 3.99Å; I185-F244 HydrophobicContact CG1-CE2 4.46Å |
| 186 | E | 97.4 | Very high | 96.4 | Very high | 17 Ų | 17 | 43 Ų | 43 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.7 | -179.7 | -174.2 | 172.5 | 92.1 | 0 | 0 | 110.2 | H188 T197 F198 Y217 D240 S241 | E186-H188 WeakPolarHBondContact CG-NE2 3.39Å; E186-H188 IonicContact OE1-CD2 3.16Å; E186-H188 IonicContact OE1-CE1 2.64Å; E186-H188 IonicContact OE1-NE2 2.63Å; E186-H188 PolarHBondContact OE1-NE2 3.04Å; E186-T197 CarbonylContact O-C 3.54Å; E186-T197 WeakPolarHBondContact O-CA 3.23Å; E186-F198 HydrophobicContact CB-CB 4.4Å; E186-F198 PolarHBondContact N-O 3Å; E186-F198 PolarHBondContact O-N 2.83Å; E186-Y217 VanDerWaalsContact OE1-CE1 3.26Å; E186-Y217 WeakPolarHBondContact OE1-CE1 3.34Å; E186-Y217 PolarHBondContact OE1-OH 3.32Å; E186-D240 CarbonylContact C-O 3.6Å; E186-D240 VanDerWaalsContact CA-O 3.31Å; E186-D240 WeakPolarHBondContact CA-O 3.25Å; E186-S241 WeakPolarHBondContact CG-OG 3.25Å; E186-S241 PolarHBondContact OE2-OG 3.24Å |
| 187 | R | 97.5 | Very high | 96.3 | Very high | 11 Ų | 11 | 40 Ų | 40 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.2 | -176.8 | -58.4 | -174.3 | 69.4 | 82.4 | -10.1 | 110.1 | V73 L74 L76 I185 F189 L194 T197 S239 D240 F242 | V73-R187 WeakPolarHBondContact O-CD 3.18Å; V73-R187 PolarHBondContact O-NE 3.34Å; L74-R187 PolarHBondContact O-NH1 3.18Å; L74-R187 PolarHBondContact O-NH2 3.08Å; L76-R187 PolarHBondContact O-NE 2.88Å; L76-R187 PolarHBondContact O-NH2 2.72Å; I185-R187 HydrophobicContact CG2-CG 4.34Å; R187-F189 HydrophobicContact CB-CD2 4.29Å; R187-F189 HydrophobicContact CB-CE2 3.56Å; R187-F189 HydrophobicContact CB-CZ 4.27Å; R187-L194 HydrophobicContact CB-CD1 4.41Å; R187-T197 HydrophobicContact CG-CG2 4.26Å; R187-T197 PolarHBondContact NH1-OG1 2.54Å; R187-S239 WeakPolarHBondContact O-CA 3.2Å; R187-S239 WeakPolarHBondContact O-CB 2.94Å; R187-D240 PolarHBondContact N-O 2.8Å; R187-D240 PolarHBondContact O-N 3.03Å; R187-D240 VanDerWaalsContact O-N 3.08Å; R187-F242 HydrophobicContact CG-CE2 4.46Å |
| 188 | H | 97.2 | Very high | 96.3 | Very high | 23 Ų | 23 | 36 Ų | 36 | 11% | 0.106 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127 | -179.4 | -73.2 | -106.3 | 0 | 0 | 0 | 110.1 | E186 L195 K196 F198 Y257 | E186-H188 WeakPolarHBondContact CG-NE2 3.39Å; E186-H188 IonicContact OE1-CD2 3.16Å; E186-H188 IonicContact OE1-CE1 2.64Å; E186-H188 IonicContact OE1-NE2 2.63Å; E186-H188 PolarHBondContact OE1-NE2 3.04Å; H188-L195 HydrophobicContact CB-CB 4.29Å; H188-L195 PolarHBondContact O-N 2.99Å; H188-K196 PolarHBondContact N-O 3.45Å; H188-K196 PolarHBondContact O-N 2.87Å; H188-F198 AromaticContact CD2-CD2 3.76Å; H188-F198 AromaticContact CD2-CE2 3.77Å; H188-F198 AromaticContact NE2-CD2 4Å; H188-F198 AromaticContact NE2-CE2 3.98Å; H188-Y257 AromaticContact CE1-CZ 3.75Å; H188-Y257 PolarHBondContact CE1-OH 2.84Å; H188-Y257 VanDerWaalsContact CE1-OH 3.29Å |
| 189 | F | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143 | 178.5 | -64.7 | -91.5 | 0 | 0 | 0 | 110.4 | T77 I79 R187 R191 R193 L194 T237 R238 | T77-F189 VanDerWaalsContact C-CE1 3.49Å; T77-F189 WeakPolarHBondContact O-CE1 3.41Å; I79-F189 HydrophobicContact CB-CD2 4.37Å; I79-F189 HydrophobicContact CD1-CD2 4.26Å; R187-F189 HydrophobicContact CB-CD2 4.29Å; R187-F189 HydrophobicContact CB-CE2 3.56Å; R187-F189 HydrophobicContact CB-CZ 4.27Å; F189-R191 WeakPolarHBondContact CB-O 3.29Å; F189-R193 CarbonylContact C-O 3.59Å; F189-R193 VanDerWaalsContact CA-O 3.27Å; F189-R193 WeakPolarHBondContact CA-O 3.35Å; F189-L194 HydrophobicContact CD1-CB 4.05Å; F189-L194 HydrophobicContact CD1-CD1 4.15Å; F189-L194 HydrophobicContact CE1-CB 3.77Å; F189-L194 HydrophobicContact CE1-CD1 3.67Å; F189-L194 HydrophobicContact CE1-CG 4.31Å; F189-L194 HydrophobicContact CE2-CD1 4.12Å; F189-L194 HydrophobicContact CZ-CD1 3.67Å; F189-T237 CarbonylContact O-C 3.44Å; F189-T237 VanDerWaalsContact O-CA 3.28Å; F189-T237 WeakPolarHBondContact O-CA 3.46Å; F189-R238 PolarHBondContact N-O 3.31Å; F189-R238 PolarHBondContact O-N 2.98Å |
| 190 | F | 97.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 2% | 0.022 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 109.4 | 158.3 | 178.8 | -119.8 | 0 | 0 | 0 | 107.2 | D192 R193 L195 L226 E229 M230 E236 T237 | F190-D192 PolarHBondContact O-N 2.8Å; F190-R193 PolarHBondContact N-O 2.59Å; F190-R193 WeakPolarHBondContact O-CB 3.08Å; F190-R193 PolarHBondContact O-N 2.85Å; F190-L195 HydrophobicContact CB-CD1 3.99Å; F190-L195 HydrophobicContact CB-CD2 3.94Å; F190-L195 HydrophobicContact CB-CG 4.04Å; F190-L226 HydrophobicContact CD1-CD1 3.64Å; F190-L226 HydrophobicContact CE1-CD1 3.98Å; F190-E229 HydrophobicContact CE1-CB 4.23Å; F190-E229 HydrophobicContact CE1-CG 3.86Å; F190-E229 HydrophobicContact CZ-CB 4.29Å; F190-E229 HydrophobicContact CZ-CG 3.85Å; F190-M230 HydrophobicContact CB-CG 4.39Å; F190-M230 HydrophobicContact CD1-CG 4.04Å; F190-M230 HydrophobicContact CD2-CG 3.71Å; F190-M230 HydrophobicContact CE1-CG 4.17Å; F190-M230 HydrophobicContact CE2-CB 4.37Å; F190-M230 HydrophobicContact CE2-CG 3.85Å; F190-M230 HydrophobicContact CG-CG 3.79Å; F190-M230 HydrophobicContact CZ-CG 4.08Å; F190-E236 HydrophobicContact CD2-CB 4.2Å; F190-E236 HydrophobicContact CE2-CB 3.77Å; F190-T237 VanDerWaalsContact CD2-OG1 3.29Å; F190-T237 WeakPolarHBondContact CD2-OG1 3.45Å |
| 191 | R | 95.5 | Very high | 96.1 | Very high | 93 Ų | 93 | 35 Ų | 35 | 35% | 0.351 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | -120.3 | -164.6 | -52.8 | 179.8 | 178.4 | 106.4 | 12.4 | 110.5 | F189 E229 S233 E236 | F189-R191 WeakPolarHBondContact CB-O 3.29Å; R191-E229 IonicContact CZ-OE1 2.85Å; R191-E229 VanDerWaalsContact NH1-CD 3.25Å; R191-E229 IonicContact NH1-OE1 2.8Å; R191-E229 PolarHBondContact NH1-OE1 3.14Å; R191-E229 IonicContact NH1-OE2 3.77Å; R191-E229 IonicContact NH2-OE1 3.87Å; R191-S233 PolarHBondContact NH2-OG 2.81Å; R191-S233 VanDerWaalsContact NH2-OG 3.08Å; R191-E236 HydrophobicContact CG-CB 4.49Å; R191-E236 WeakPolarHBondContact CG-OE2 3.46Å; R191-E236 IonicContact CZ-OE2 2.74Å; R191-E236 PolarHBondContact N-O 2.88Å; R191-E236 IonicContact NE-OE2 3.97Å; R191-E236 PolarHBondContact NE-OE2 2.82Å; R191-E236 IonicContact NH2-OE1 3.67Å; R191-E236 IonicContact NH2-OE2 3.88Å; R191-E236 PolarHBondContact NH2-OE2 3.44Å |
| 192 | D | 93.3 | Very high | 96.1 | Very high | 120 Ų | 120 | 31.1 Ų | 31.1 | 64% | 0.642 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 5 | 177.2 | -62.3 | -36.1 | 0 | 0 | 0 | 113.3 | F190 | F190-D192 PolarHBondContact O-N 2.8Š|
| 193 | R | 94.9 | Very high | 95.9 | Very high | 127 Ų | 127 | 32.3 Ų | 32.3 | 48% | 0.479 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114.3 | 178.4 | -176.3 | 179.5 | 178.6 | 177.3 | -1.1 | 110.3 | F189 F190 L195 | F189-R193 CarbonylContact C-O 3.59Å; F189-R193 VanDerWaalsContact CA-O 3.27Å; F189-R193 WeakPolarHBondContact CA-O 3.35Å; F190-R193 PolarHBondContact N-O 2.59Å; F190-R193 WeakPolarHBondContact O-CB 3.08Å; F190-R193 PolarHBondContact O-N 2.85Å; R193-L195 PolarHBondContact O-N 3.03Å; R193-L195 VanDerWaalsContact O-N 3.14Å |
| 194 | L | 95.9 | Very high | 95.8 | Very high | 36 Ų | 36 | 35 Ų | 35 | 19% | 0.188 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 114.7 | 168.8 | -176.6 | 68.8 | 0 | 0 | 0 | 109.7 | P10 R187 F189 | P10-L194 HydrophobicContact CB-CD2 4.04Å; P10-L194 HydrophobicContact CB-CG 4.48Å; P10-L194 HydrophobicContact CG-CD2 3.98Å; P10-L194 HydrophobicContact CG-CG 4.08Å; R187-L194 HydrophobicContact CB-CD1 4.41Å; F189-L194 HydrophobicContact CD1-CB 4.05Å; F189-L194 HydrophobicContact CD1-CD1 4.15Å; F189-L194 HydrophobicContact CE1-CB 3.77Å; F189-L194 HydrophobicContact CE1-CD1 3.67Å; F189-L194 HydrophobicContact CE1-CG 4.31Å; F189-L194 HydrophobicContact CE2-CD1 4.12Å; F189-L194 HydrophobicContact CZ-CD1 3.67Å |
| 195 | L | 95.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -47.3 | 174.2 | -62.4 | -179.5 | 0 | 0 | 0 | 110.4 | H188 F190 R193 L222 L226 M230 T237 | H188-L195 HydrophobicContact CB-CB 4.29Å; H188-L195 PolarHBondContact O-N 2.99Å; F190-L195 HydrophobicContact CB-CD1 3.99Å; F190-L195 HydrophobicContact CB-CD2 3.94Å; F190-L195 HydrophobicContact CB-CG 4.04Å; R193-L195 PolarHBondContact O-N 3.03Å; R193-L195 VanDerWaalsContact O-N 3.14Å; L195-L222 HydrophobicContact CD2-CD2 4.23Å; L195-L226 HydrophobicContact CD2-CD2 3.99Å; L195-M230 HydrophobicContact CD1-CE 3.72Å; L195-M230 HydrophobicContact CD1-SD 4.16Å; L195-M230 HydrophobicContact CD2-SD 4.39Å; L195-T237 HydrophobicContact CD1-CG2 3.91Å |
| 196 | K | 94.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 148 | -172.5 | -161.8 | 71.2 | 172.1 | -140.8 | 0 | 111.4 | Q7 H188 F198 E218 P220 | Q7-K196 VanDerWaalsContact CD-CE 3.5Å; H188-K196 PolarHBondContact N-O 3.45Å; H188-K196 PolarHBondContact O-N 2.87Å; K196-F198 HydrophobicContact CB-CE2 3.91Å; K196-F198 HydrophobicContact CB-CZ 4.16Å; K196-F198 HydrophobicContact CD-CZ 4.37Å; K196-F198 HydrophobicContact CG-CD1 4.37Å; K196-F198 HydrophobicContact CG-CD2 4.11Å; K196-F198 HydrophobicContact CG-CE1 3.81Å; K196-F198 HydrophobicContact CG-CE2 3.51Å; K196-F198 HydrophobicContact CG-CZ 3.35Å; K196-E218 WeakPolarHBondContact CE-O 3.24Å; K196-E218 PolarHBondContact NZ-O 2.84Å; K196-P220 HydrophobicContact CB-CG 4.48Å; K196-P220 HydrophobicContact CD-CB 4.29Å; K196-P220 HydrophobicContact CD-CG 4.44Å |
| 197 | T | 96 | Very high | 95.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.5 | 165.3 | -60.5 | 0 | 0 | 0 | 0 | 108.9 | L8 L74 I185 E186 R187 | L8-T197 HydrophobicContact CB-CG2 4.49Å; L8-T197 HydrophobicContact CD1-CG2 4.4Å; L74-T197 HydrophobicContact CD2-CG2 3.84Å; I185-T197 HydrophobicContact CG2-CG2 4.29Å; E186-T197 CarbonylContact O-C 3.54Å; E186-T197 WeakPolarHBondContact O-CA 3.23Å; R187-T197 HydrophobicContact CG-CG2 4.26Å; R187-T197 PolarHBondContact NH1-OG1 2.54Å |
| 198 | F | 95.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.6 | 172.1 | -58.2 | -81.5 | 0 | 0 | 0 | 109.4 | I185 E186 H188 K196 F200 Y217 | I185-F198 CarbonylContact C-O 3.59Å; I185-F198 WeakPolarHBondContact CA-O 3.18Å; E186-F198 HydrophobicContact CB-CB 4.4Å; E186-F198 PolarHBondContact N-O 3Å; E186-F198 PolarHBondContact O-N 2.83Å; H188-F198 AromaticContact CD2-CD2 3.76Å; H188-F198 AromaticContact CD2-CE2 3.77Å; H188-F198 AromaticContact NE2-CD2 4Å; H188-F198 AromaticContact NE2-CE2 3.98Å; K196-F198 HydrophobicContact CB-CE2 3.91Å; K196-F198 HydrophobicContact CB-CZ 4.16Å; K196-F198 HydrophobicContact CD-CZ 4.37Å; K196-F198 HydrophobicContact CG-CD1 4.37Å; K196-F198 HydrophobicContact CG-CD2 4.11Å; K196-F198 HydrophobicContact CG-CE1 3.81Å; K196-F198 HydrophobicContact CG-CE2 3.51Å; K196-F198 HydrophobicContact CG-CZ 3.35Å; F198-F200 HydrophobicContact CB-CD2 4.13Å; F198-F200 HydrophobicContact CB-CE2 3.48Å; F198-F200 VanDerWaalsContact CB-CE2 3.48Å; F198-F200 HydrophobicContact CB-CZ 4.06Å; F198-F200 HydrophobicContact CD1-CE2 4.47Å; F198-F200 HydrophobicContact CD1-CZ 4.27Å; F198-F200 HydrophobicContact CG-CE2 4.2Å; F198-F200 HydrophobicContact CG-CZ 4.45Å; F198-Y217 HydrophobicContact CB-CE1 4.25Å; F198-Y217 AromaticContact CD1-CD1 3.69Å; F198-Y217 HydrophobicContact CD1-CD1 3.69Å; F198-Y217 HydrophobicContact CD1-CE1 4.15Å; F198-Y217 HydrophobicContact CD1-CG 4.47Å; F198-Y217 AromaticContact CD2-CD1 3.7Å; F198-Y217 HydrophobicContact CD2-CD1 3.7Å; F198-Y217 AromaticContact CD2-CE1 3.67Å; F198-Y217 HydrophobicContact CD2-CE1 3.67Å; F198-Y217 AromaticContact CE1-CD1 3.57Å; F198-Y217 HydrophobicContact CE1-CD1 3.57Å; F198-Y217 HydrophobicContact CE1-CE1 4.41Å; F198-Y217 HydrophobicContact CE1-CG 4.22Å; F198-Y217 AromaticContact CE2-CD1 3.58Å; F198-Y217 HydrophobicContact CE2-CD1 3.58Å; F198-Y217 AromaticContact CE2-CE1 3.96Å; F198-Y217 HydrophobicContact CE2-CE1 3.96Å; F198-Y217 AromaticContact CG-CD1 3.75Å; F198-Y217 HydrophobicContact CG-CD1 3.75Å; F198-Y217 AromaticContact CG-CE1 3.76Å; F198-Y217 HydrophobicContact CG-CE1 3.76Å; F198-Y217 AromaticContact CZ-CD1 3.49Å; F198-Y217 HydrophobicContact CZ-CD1 3.49Å; F198-Y217 VanDerWaalsContact CZ-CD1 3.49Å; F198-Y217 HydrophobicContact CZ-CE1 4.31Å; F198-Y217 HydrophobicContact CZ-CG 4.37Å |
| 199 | D | 96 | Very high | 95.6 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 106 | -177.2 | -177.3 | 12.8 | 0 | 0 | 0 | 109.3 | G5 K6 R183 | G5-D199 CarbonylContact C-O 3.44Å; G5-D199 VanDerWaalsContact CA-O 3.28Å; G5-D199 WeakPolarHBondContact CA-O 3.46Å; K6-D199 HydrophobicContact CB-CB 4.42Å; K6-D199 PolarHBondContact N-O 2.97Å; R183-D199 IonicContact CZ-OD1 3.54Å; R183-D199 IonicContact CZ-OD2 3.02Å; R183-D199 IonicContact NE-OD1 2.76Å; R183-D199 PolarHBondContact NE-OD1 3.35Å; R183-D199 IonicContact NE-OD2 3.19Å; R183-D199 VanDerWaalsContact NH2-CG 3.27Å; R183-D199 IonicContact NH2-OD1 2.62Å; R183-D199 PolarHBondContact NH2-OD1 2.88Å; R183-D199 IonicContact NH2-OD2 2.77Å; R183-D199 PolarHBondContact NH2-OD2 2.96Å |
| 200 | F | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.5 | -174.6 | -61.6 | -77.4 | 0 | 0 | 0 | 110.5 | V3 R183 M184 F198 H215 Y217 | V3-F200 HydrophobicContact CG1-CD1 4.48Å; R183-F200 CarbonylContact C-O 3.52Å; R183-F200 VanDerWaalsContact CA-O 3.31Å; R183-F200 WeakPolarHBondContact CA-O 3.32Å; R183-F200 WeakPolarHBondContact CG-O 3.37Å; M184-F200 HydrophobicContact CE-CD2 3.49Å; M184-F200 VanDerWaalsContact CE-CD2 3.49Å; M184-F200 HydrophobicContact CE-CE2 4.03Å; M184-F200 HydrophobicContact CE-CG 4.41Å; M184-F200 PolarHBondContact N-O 3.22Å; M184-F200 PolarHBondContact O-N 3.38Å; F198-F200 HydrophobicContact CB-CD2 4.13Å; F198-F200 HydrophobicContact CB-CE2 3.48Å; F198-F200 VanDerWaalsContact CB-CE2 3.48Å; F198-F200 HydrophobicContact CB-CZ 4.06Å; F198-F200 HydrophobicContact CD1-CE2 4.47Å; F198-F200 HydrophobicContact CD1-CZ 4.27Å; F198-F200 HydrophobicContact CG-CE2 4.2Å; F198-F200 HydrophobicContact CG-CZ 4.45Å; F200-H215 HydrophobicContact CD1-CB 4.03Å; F200-H215 AromaticContact CD1-CD2 3.68Å; F200-H215 AromaticContact CD1-CG 3.85Å; F200-H215 HydrophobicContact CD2-CB 4.47Å; F200-H215 HydrophobicContact CE1-CB 3.68Å; F200-H215 HydrophobicContact CE2-CB 4.13Å; F200-H215 HydrophobicContact CG-CB 4.41Å; F200-H215 AromaticContact CG-CD2 3.8Å; F200-H215 AromaticContact CG-CG 3.9Å; F200-H215 HydrophobicContact CZ-CB 3.75Å; F200-Y217 HydrophobicContact CE2-CD1 4.44Å; F200-Y217 AromaticContact CE2-CE1 3.79Å; F200-Y217 HydrophobicContact CE2-CE1 3.79Å; F200-Y217 AromaticContact CE2-CE2 3.97Å; F200-Y217 HydrophobicContact CE2-CE2 3.97Å; F200-Y217 AromaticContact CE2-CZ 3.53Å; F200-Y217 HydrophobicContact CZ-CD1 4.31Å; F200-Y217 HydrophobicContact CZ-CD2 4.13Å; F200-Y217 HydrophobicContact CZ-CE1 4.08Å; F200-Y217 AromaticContact CZ-CE2 3.88Å; F200-Y217 HydrophobicContact CZ-CE2 3.88Å; F200-Y217 HydrophobicContact CZ-CG 4.33Å; F200-Y217 AromaticContact CZ-CZ 3.88Å |
| 201 | E | 94.3 | Very high | 95.4 | Very high | 98 Ų | 98 | 58 Ų | 58 | 46% | 0.458 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.7 | 173.4 | -67.4 | 174 | -151 | 0 | 0 | 108.8 | K6 R183 | K6-E201 IonicContact NZ-OE1 3.98Å; K6-E201 PolarHBondContact NZ-OE1 3.12Å; R183-E201 HydrophobicContact CG-CG 4.17Å |
| 202 | F | 93.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 57 Ų | 57 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -31.1 | 171 | -59 | -112.8 | 0 | 0 | 0 | 110.2 | F172 F182 M184 V213 H215 Y243 | F172-F202 AromaticContact CE1-CD1 3.74Å; F172-F202 HydrophobicContact CE1-CD1 3.74Å; F172-F202 AromaticContact CE1-CE1 3.81Å; F172-F202 HydrophobicContact CE1-CE1 3.81Å; F172-F202 AromaticContact CZ-CD1 3.84Å; F172-F202 HydrophobicContact CZ-CD1 3.84Å; F172-F202 HydrophobicContact CZ-CE1 4.26Å; F182-F202 HydrophobicContact CB-CB 4.04Å; F182-F202 HydrophobicContact CD1-CB 3.54Å; F182-F202 AromaticContact CD1-CD1 3.8Å; F182-F202 HydrophobicContact CD1-CD1 3.8Å; F182-F202 AromaticContact CD1-CD2 3.68Å; F182-F202 HydrophobicContact CD1-CD2 3.68Å; F182-F202 HydrophobicContact CD1-CE1 4.35Å; F182-F202 HydrophobicContact CD1-CE2 4.28Å; F182-F202 AromaticContact CD1-CG 3.42Å; F182-F202 HydrophobicContact CD1-CG 3.42Å; F182-F202 VanDerWaalsContact CD1-CG 3.42Å; F182-F202 HydrophobicContact CE1-CB 4.4Å; F182-F202 AromaticContact CE1-CD1 3.81Å; F182-F202 HydrophobicContact CE1-CD1 3.81Å; F182-F202 AromaticContact CE1-CD2 3.93Å; F182-F202 HydrophobicContact CE1-CD2 3.93Å; F182-F202 AromaticContact CE1-CE1 3.89Å; F182-F202 HydrophobicContact CE1-CE1 3.89Å; F182-F202 HydrophobicContact CE1-CE2 4.06Å; F182-F202 AromaticContact CE1-CG 3.82Å; F182-F202 HydrophobicContact CE1-CG 3.82Å; F182-F202 HydrophobicContact CE1-CZ 4.02Å; F182-F202 HydrophobicContact CG-CB 4.12Å; F182-F202 HydrophobicContact CG-CD2 4.17Å; F182-F202 HydrophobicContact CG-CG 4.22Å; F182-F202 HydrophobicContact CZ-CE2 4.48Å; F182-F202 WeakPolarHBondContact O-CA 3.21Å; F182-F202 WeakPolarHBondContact O-CB 3.35Å; F182-F202 PolarHBondContact O-N 3.38Å; M184-F202 HydrophobicContact CB-CE2 3.56Å; M184-F202 HydrophobicContact CB-CZ 4.23Å; F202-V213 HydrophobicContact CD1-CB 4.5Å; F202-V213 HydrophobicContact CD1-CG1 3.84Å; F202-V213 HydrophobicContact CE1-CG1 3.55Å; F202-H215 AromaticContact CE1-CE1 3.71Å; F202-H215 AromaticContact CE1-NE2 3.77Å; F202-H215 AromaticContact CE2-CE1 3.97Å; F202-H215 AromaticContact CZ-CE1 3.34Å; F202-H215 WeakPolarHBondContact CZ-CE1 3.23Å; F202-H215 AromaticContact CZ-NE2 3.67Å; F202-Y243 HydrophobicContact CZ-CE1 4.23Å |
| 203 | G | 93.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.4 | -138.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | F182 | F182-G203 WeakPolarHBondContact CB-O 3.04Å; F182-G203 PolarHBondContact N-O 3.49Å; F182-G203 PolarHBondContact O-N 3.22Å |
| 204 | F | 95.6 | Very high | 95.4 | Very high | 101 Ų | 101 | 47.2 Ų | 47.2 | 44% | 0.443 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 130.7 | -179.5 | -178.7 | -91.9 | 0 | 0 | 0 | 111 | P178 L179 N180 F206 | P178-F204 HydrophobicContact CB-CE2 3.81Å; P178-F204 HydrophobicContact CB-CZ 3.81Å; L179-F204 WeakPolarHBondContact O-CA 3.19Å; L179-F204 WeakPolarHBondContact O-CD2 3.46Å; N180-F204 WeakPolarHBondContact OD1-CD2 3.39Å; N180-F204 WeakPolarHBondContact OD1-CE2 3.23Å; F204-F206 HydrophobicContact CD1-CD2 4.27Å; F204-F206 HydrophobicContact CD1-CE1 4.48Å; F204-F206 HydrophobicContact CD1-CE2 4.14Å; F204-F206 HydrophobicContact CD1-CG 4.49Å; F204-F206 HydrophobicContact CD1-CZ 4.25Å; F204-F206 AromaticContact CE1-CD1 3.66Å; F204-F206 HydrophobicContact CE1-CD1 3.66Å; F204-F206 HydrophobicContact CE1-CD2 4.04Å; F204-F206 AromaticContact CE1-CE1 3.68Å; F204-F206 HydrophobicContact CE1-CE1 3.68Å; F204-F206 HydrophobicContact CE1-CE2 4.06Å; F204-F206 AromaticContact CE1-CG 3.84Å; F204-F206 HydrophobicContact CE1-CG 3.84Å; F204-F206 AromaticContact CE1-CZ 3.88Å; F204-F206 HydrophobicContact CE1-CZ 3.88Å; F204-F206 HydrophobicContact CZ-CD1 4.43Å |
| 205 | C | 96.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.034 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.6 | 172.7 | -53 | 0 | 0 | 0 | 0 | 110.3 | V174 L179 | V174-C205 HydrophobicContact CG2-CB 3.87Å; L179-C205 HydrophobicContact CB-CB 3.93Å; L179-C205 HydrophobicContact CD1-CB 3.95Å; L179-C205 HydrophobicContact CG-CB 3.95Å; L179-C205 PolarHBondContact N-O 2.91Å; L179-C205 PolarHBondContact O-N 3.43Å |
| 206 | F | 96 | Very high | 95.2 | Very high | 137 Ų | 137 | 45.9 Ų | 45.9 | 60% | 0.601 | 23% | 0.228 | S | C | * | . | trans | -70.6 | 150.6 | -178.3 | -71.4 | -88.1 | 0 | 0 | 0 | 111.8 | F204 S209 | F204-F206 HydrophobicContact CD1-CD2 4.27Å; F204-F206 HydrophobicContact CD1-CE1 4.48Å; F204-F206 HydrophobicContact CD1-CE2 4.14Å; F204-F206 HydrophobicContact CD1-CG 4.49Å; F204-F206 HydrophobicContact CD1-CZ 4.25Å; F204-F206 AromaticContact CE1-CD1 3.66Å; F204-F206 HydrophobicContact CE1-CD1 3.66Å; F204-F206 HydrophobicContact CE1-CD2 4.04Å; F204-F206 AromaticContact CE1-CE1 3.68Å; F204-F206 HydrophobicContact CE1-CE1 3.68Å; F204-F206 HydrophobicContact CE1-CE2 4.06Å; F204-F206 AromaticContact CE1-CG 3.84Å; F204-F206 HydrophobicContact CE1-CG 3.84Å; F204-F206 AromaticContact CE1-CZ 3.88Å; F204-F206 HydrophobicContact CE1-CZ 3.88Å; F204-F206 HydrophobicContact CZ-CD1 4.43Å; F206-S209 VanDerWaalsContact O-CB 3.28Å; F206-S209 WeakPolarHBondContact O-CB 3.44Å; F206-S209 PolarHBondContact O-N 3.49Å; F206-S209 PolarHBondContact O-OG 3.22Å | ||
| 207 | P | 97.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 147.2 | 169.6 | -22 | 33.6 | 0 | 0 | 0 | 111.8 | G175 P178 S209 | G175-P207 CarbonylContact O-C 3.27Å; G175-P207 WeakPolarHBondContact O-CA 3.28Å; P178-P207 HydrophobicContact CB-CG 4.03Å; P178-P207 HydrophobicContact CG-CG 4.48Å; P207-S209 PolarHBondContact O-N 3.18Å |
| 208 | F | 95.5 | Very high | 94.9 | Very high | 160 Ų | 160 | 51.1 Ų | 51.1 | 70% | 0.702 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 22.2 | 178.3 | -51 | -68.1 | 0 | 0 | 0 | 114.4 | V174 G175 S176 | V174-F208 WeakPolarHBondContact O-CA 3.21Å; V174-F208 PolarHBondContact O-N 3.49Å; V174-F208 VanDerWaalsContact O-N 3.14Å; G175-F208 PolarHBondContact O-N 2.9Å; S176-F208 VanDerWaalsContact CA-CZ 3.45Å; S176-F208 VanDerWaalsContact CB-CZ 3.44Å |
| 209 | S | 96.7 | Very high | 94.6 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | trans | -89.2 | 148.2 | -179.6 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | T173 V174 F206 P207 N211 | T173-S209 CarbonylContact C-O 3.59Å; T173-S209 VanDerWaalsContact CA-O 3.27Å; T173-S209 WeakPolarHBondContact CA-O 3.47Å; V174-S209 PolarHBondContact N-O 3.29Å; F206-S209 VanDerWaalsContact O-CB 3.28Å; F206-S209 WeakPolarHBondContact O-CB 3.44Å; F206-S209 PolarHBondContact O-N 3.49Å; F206-S209 PolarHBondContact O-OG 3.22Å; P207-S209 PolarHBondContact O-N 3.18Å; S209-N211 PolarHBondContact OG-ND2 3.4Å | ||
| 210 | K | 95.8 | Very high | 94.2 | Very high | 133 Ų | 133 | 54.1 Ų | 54.1 | 58% | 0.578 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.9 | 161 | -175.6 | 177.3 | 178.2 | -178.1 | 0 | 108.3 | E171 T173 | E171-K210 WeakPolarHBondContact OE2-CE 3.23Å; E171-K210 IonicContact OE2-NZ 2.88Å; E171-K210 PolarHBondContact OE2-NZ 2.94Å; T173-K210 HydrophobicContact CG2-CB 4.24Å; T173-K210 HydrophobicContact CG2-CG 4.25Å |
| 211 | N | 95.3 | Very high | 93.8 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.6 | -174.1 | -59.1 | -83.4 | 0 | 0 | 0 | 110 | E171 F172 S209 | E171-N211 VanDerWaalsContact CA-O 3.29Å; E171-N211 WeakPolarHBondContact CA-O 3.39Å; F172-N211 HydrophobicContact CD1-CB 4.09Å; F172-N211 HydrophobicContact CD2-CB 4.31Å; F172-N211 HydrophobicContact CE1-CB 3.62Å; F172-N211 HydrophobicContact CE2-CB 3.87Å; F172-N211 HydrophobicContact CG-CB 4.41Å; F172-N211 HydrophobicContact CZ-CB 3.5Å; F172-N211 PolarHBondContact N-O 2.75Å; F172-N211 PolarHBondContact O-N 3.27Å; S209-N211 PolarHBondContact OG-ND2 3.4Å |
| 212 | T | 95.4 | Very high | 93.6 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 118.5 | 172.2 | -53 | 0 | 0 | 0 | 0 | 108.9 | T169 V170 E171 | T169-T212 HydrophobicContact CG2-CG2 3.76Å; V170-T212 WeakPolarHBondContact O-CA 3.35Å; E171-T212 HydrophobicContact CG-CG2 3.92Å |
| 213 | V | 94 | Very high | 93.6 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.1 | 177.4 | 66.6 | 0 | 0 | 0 | 0 | 109.6 | V3 T169 V170 F172 F202 | V3-V213 HydrophobicContact CB-CG2 4.28Å; V3-V213 HydrophobicContact CG2-CG2 3.77Å; T169-V213 CarbonylContact C-O 3.12Å; T169-V213 WeakPolarHBondContact CA-O 3.41Å; V170-V213 HydrophobicContact CB-CG1 4.08Å; V170-V213 PolarHBondContact N-O 3.28Å; V170-V213 PolarHBondContact O-N 3.22Å; F172-V213 HydrophobicContact CE1-CG1 4.3Å; F202-V213 HydrophobicContact CD1-CB 4.5Å; F202-V213 HydrophobicContact CD1-CG1 3.84Å; F202-V213 HydrophobicContact CE1-CG1 3.55Å |
| 214 | E | 95.3 | Very high | 93.6 | Very high | 29 Ų | 29 | 64.7 Ų | 64.7 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.3 | 167.7 | -171.5 | 177.8 | -140.2 | 0 | 0 | 108.9 | M1 S2 V3 R102 A168 I216 | M1-E214 PolarHBondContact O-N 2.77Å; M1-E214 VanDerWaalsContact O-N 3.13Å; S2-E214 WeakPolarHBondContact CA-O 3.44Å; V3-E214 PolarHBondContact N-O 3.42Å; R102-E214 IonicContact CZ-OE1 2.83Å; R102-E214 IonicContact NE-OE1 3.2Å; R102-E214 PolarHBondContact NE-OE1 2.97Å; R102-E214 IonicContact NH2-OE1 3.27Å; R102-E214 PolarHBondContact NH2-OE1 2.91Å; R102-E214 IonicContact NH2-OE2 3.75Å; R102-E214 PolarHBondContact NH2-OE2 3.39Å; A168-E214 WeakPolarHBondContact O-CA 3.45Å; E214-I216 HydrophobicContact CG-CD1 3.96Å |
| 215 | H | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.3 | 171.3 | -63.6 | 147.5 | 0 | 0 | 0 | 109.2 | A168 F200 F202 Y217 | A168-H215 PolarHBondContact N-O 3.29Å; A168-H215 PolarHBondContact O-N 3.2Å; F200-H215 HydrophobicContact CD1-CB 4.03Å; F200-H215 AromaticContact CD1-CD2 3.68Å; F200-H215 AromaticContact CD1-CG 3.85Å; F200-H215 HydrophobicContact CD2-CB 4.47Å; F200-H215 HydrophobicContact CE1-CB 3.68Å; F200-H215 HydrophobicContact CE2-CB 4.13Å; F200-H215 HydrophobicContact CG-CB 4.41Å; F200-H215 AromaticContact CG-CD2 3.8Å; F200-H215 AromaticContact CG-CG 3.9Å; F200-H215 HydrophobicContact CZ-CB 3.75Å; F202-H215 AromaticContact CE1-CE1 3.71Å; F202-H215 AromaticContact CE1-NE2 3.77Å; F202-H215 AromaticContact CE2-CE1 3.97Å; F202-H215 AromaticContact CZ-CE1 3.34Å; F202-H215 WeakPolarHBondContact CZ-CE1 3.23Å; F202-H215 AromaticContact CZ-NE2 3.67Å; H215-Y217 HydrophobicContact CB-CD2 4.14Å; H215-Y217 HydrophobicContact CB-CE2 3.56Å |
| 216 | I | 93.5 | Very high | 93.6 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.2 | 174.3 | -53.2 | -55.6 | 0 | 0 | 0 | 108.6 | V3 L104 E214 | V3-I216 PolarHBondContact O-N 3.24Å; L104-I216 HydrophobicContact CD1-CD1 4.43Å; L104-I216 HydrophobicContact CD2-CD1 4.32Å; L104-I216 HydrophobicContact CD2-CG2 3.9Å; E214-I216 HydrophobicContact CG-CD1 3.96Å |
| 217 | Y | 92.4 | Very high | 93.6 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.4 | 179.2 | -71.2 | -106.9 | 0 | 0 | 0 | 109.2 | T165 V166 A168 E186 F198 F200 H215 | T165-Y217 VanDerWaalsContact CA-O 3.25Å; T165-Y217 WeakPolarHBondContact CA-O 3.41Å; V166-Y217 HydrophobicContact CG2-CD2 4.5Å; V166-Y217 HydrophobicContact CG2-CG 4.28Å; V166-Y217 PolarHBondContact N-O 3.06Å; V166-Y217 PolarHBondContact O-N 2.81Å; A168-Y217 HydrophobicContact CB-CD2 4.03Å; A168-Y217 HydrophobicContact CB-CE2 3.58Å; E186-Y217 VanDerWaalsContact OE1-CE1 3.26Å; E186-Y217 WeakPolarHBondContact OE1-CE1 3.34Å; E186-Y217 PolarHBondContact OE1-OH 3.32Å; F198-Y217 HydrophobicContact CB-CE1 4.25Å; F198-Y217 AromaticContact CD1-CD1 3.69Å; F198-Y217 HydrophobicContact CD1-CD1 3.69Å; F198-Y217 HydrophobicContact CD1-CE1 4.15Å; F198-Y217 HydrophobicContact CD1-CG 4.47Å; F198-Y217 AromaticContact CD2-CD1 3.7Å; F198-Y217 HydrophobicContact CD2-CD1 3.7Å; F198-Y217 AromaticContact CD2-CE1 3.67Å; F198-Y217 HydrophobicContact CD2-CE1 3.67Å; F198-Y217 AromaticContact CE1-CD1 3.57Å; F198-Y217 HydrophobicContact CE1-CD1 3.57Å; F198-Y217 HydrophobicContact CE1-CE1 4.41Å; F198-Y217 HydrophobicContact CE1-CG 4.22Å; F198-Y217 AromaticContact CE2-CD1 3.58Å; F198-Y217 HydrophobicContact CE2-CD1 3.58Å; F198-Y217 AromaticContact CE2-CE1 3.96Å; F198-Y217 HydrophobicContact CE2-CE1 3.96Å; F198-Y217 AromaticContact CG-CD1 3.75Å; F198-Y217 HydrophobicContact CG-CD1 3.75Å; F198-Y217 AromaticContact CG-CE1 3.76Å; F198-Y217 HydrophobicContact CG-CE1 3.76Å; F198-Y217 AromaticContact CZ-CD1 3.49Å; F198-Y217 HydrophobicContact CZ-CD1 3.49Å; F198-Y217 VanDerWaalsContact CZ-CD1 3.49Å; F198-Y217 HydrophobicContact CZ-CE1 4.31Å; F198-Y217 HydrophobicContact CZ-CG 4.37Å; F200-Y217 HydrophobicContact CE2-CD1 4.44Å; F200-Y217 AromaticContact CE2-CE1 3.79Å; F200-Y217 HydrophobicContact CE2-CE1 3.79Å; F200-Y217 AromaticContact CE2-CE2 3.97Å; F200-Y217 HydrophobicContact CE2-CE2 3.97Å; F200-Y217 AromaticContact CE2-CZ 3.53Å; F200-Y217 HydrophobicContact CZ-CD1 4.31Å; F200-Y217 HydrophobicContact CZ-CD2 4.13Å; F200-Y217 HydrophobicContact CZ-CE1 4.08Å; F200-Y217 AromaticContact CZ-CE2 3.88Å; F200-Y217 HydrophobicContact CZ-CE2 3.88Å; F200-Y217 HydrophobicContact CZ-CG 4.33Å; F200-Y217 AromaticContact CZ-CZ 3.88Å; H215-Y217 HydrophobicContact CB-CD2 4.14Å; H215-Y217 HydrophobicContact CB-CE2 3.56Å |
| 218 | E | 92 | Very high | 93.5 | Very high | 97 Ų | 97 | 61.7 Ų | 61.7 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 115.2 | 170.1 | -63.5 | -175.9 | -172.9 | 0 | 0 | 109.6 | T165 K196 | T165-E218 HydrophobicContact CG2-CG 4.12Å; K196-E218 WeakPolarHBondContact CE-O 3.24Å; K196-E218 PolarHBondContact NZ-O 2.84Å |
| 219 | F | 88.7 | Confident | 93.6 | Very high | 46 Ų | 46 | 58 Ų | 58 | 20% | 0.202 | 32% | 0.318 | C | S | . | . | trans | -70.6 | 139.9 | -176.8 | -78.4 | 10.2 | 0 | 0 | 0 | 110.8 | F160 L163 K164 V166 | F160-F219 AromaticContact CD1-CE2 3.87Å; F160-F219 HydrophobicContact CD1-CE2 3.87Å; F160-F219 HydrophobicContact CD1-CZ 4.18Å; F160-F219 AromaticContact CE1-CE2 3.56Å; F160-F219 HydrophobicContact CE1-CE2 3.56Å; F160-F219 AromaticContact CE1-CZ 3.4Å; F160-F219 HydrophobicContact CE1-CZ 3.4Å; F160-F219 VanDerWaalsContact CE1-CZ 3.4Å; F160-F219 HydrophobicContact CE2-CZ 4.34Å; F160-F219 HydrophobicContact CZ-CE2 4.01Å; F160-F219 AromaticContact CZ-CZ 3.51Å; F160-F219 HydrophobicContact CZ-CZ 3.51Å; F160-F219 WeakPolarHBondContact O-CE2 3.36Å; L163-F219 HydrophobicContact CB-CD2 4.25Å; L163-F219 HydrophobicContact CB-CE2 4.19Å; L163-F219 WeakPolarHBondContact O-CB 3.45Å; L163-F219 VanDerWaalsContact O-CD2 3.23Å; L163-F219 WeakPolarHBondContact O-CD2 3.1Å; K164-F219 PolarHBondContact O-N 3.06Å; V166-F219 HydrophobicContact CB-CZ 4.46Å; V166-F219 HydrophobicContact CG1-CE1 4.27Å; V166-F219 HydrophobicContact CG1-CE2 4.3Å; V166-F219 HydrophobicContact CG1-CZ 3.84Å; V166-F219 HydrophobicContact CG2-CD1 4.41Å; V166-F219 HydrophobicContact CG2-CE1 3.46Å; V166-F219 VanDerWaalsContact CG2-CE1 3.46Å; V166-F219 HydrophobicContact CG2-CZ 3.71Å | ||
| 220 | P | 86.7 | Confident | 93.6 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 25% | 0.253 | 31% | 0.311 | S | S | . | . | trans | -65.1 | 148.8 | 172.9 | 28.7 | -33.9 | 0 | 0 | 0 | 110.6 | K196 L222 | K196-P220 HydrophobicContact CB-CG 4.48Å; K196-P220 HydrophobicContact CD-CB 4.29Å; K196-P220 HydrophobicContact CD-CG 4.44Å; P220-L222 HydrophobicContact CB-CD2 3.97Å; P220-L222 HydrophobicContact CG-CD2 3.64Å; P220-L222 HydrophobicContact CG-CG 4.04Å; P220-L222 PolarHBondContact O-N 2.84Å; P220-L222 VanDerWaalsContact O-N 3.1Å | ||
| 221 | N | 87.1 | Confident | 93.6 | Very high | 171 Ų | 171 | 52.5 Ų | 52.5 | 91% | 0.914 | 29% | 0.293 | S | S | * | . | trans | -72.9 | 102.9 | 166 | -68.3 | -42.4 | 0 | 0 | 0 | 108.6 | ||||
| 222 | L | 91.4 | Very high | 93.7 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | trans | -91 | 138.7 | 179.3 | -59.6 | -178.5 | 0 | 0 | 0 | 110.6 | L195 P220 L226 V227 M230 | L195-L222 HydrophobicContact CD2-CD2 4.23Å; P220-L222 HydrophobicContact CB-CD2 3.97Å; P220-L222 HydrophobicContact CG-CD2 3.64Å; P220-L222 HydrophobicContact CG-CG 4.04Å; P220-L222 PolarHBondContact O-N 2.84Å; P220-L222 VanDerWaalsContact O-N 3.1Å; L222-L226 HydrophobicContact CB-CD2 4.29Å; L222-L226 HydrophobicContact CD2-CD2 3.91Å; L222-L226 HydrophobicContact CG-CD2 4.47Å; L222-V227 HydrophobicContact CB-CG2 3.68Å; L222-V227 HydrophobicContact CD1-CG2 4.44Å; L222-M230 HydrophobicContact CD1-CE 4.1Å; L222-M230 HydrophobicContact CD1-SD 3.76Å | ||
| 223 | P | 93.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 52 Ų | 52 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | trans | -59.7 | 144.8 | 172.5 | -22.6 | 33.1 | 0 | 0 | 0 | 111.6 | D225 L226 V227 | P223-D225 VanDerWaalsContact C-N 3.28Å; P223-D225 PolarHBondContact O-N 3.28Å; P223-L226 HydrophobicContact CB-CB 4.42Å; P223-L226 WeakPolarHBondContact O-CB 3.37Å; P223-L226 PolarHBondContact O-N 3.19Å; P223-V227 PolarHBondContact O-N 3.5Å | ||
| 224 | P | 94.2 | Very high | 93.9 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 68% | 0.682 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55 | -39.8 | -179.6 | -27.7 | 35.3 | 0 | 0 | 0 | 114.1 | L226 V227 A228 | P224-L226 VanDerWaalsContact C-N 3.31Å; P224-L226 PolarHBondContact O-N 2.69Å; P224-V227 PolarHBondContact O-N 2.81Å; P224-A228 PolarHBondContact O-N 2.98Å |
| 225 | D | 96 | Very high | 94 | Very high | 140 Ų | 140 | 55.2 Ų | 55.2 | 75% | 0.749 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.3 | -39 | 178.8 | -60.9 | -20.5 | 0 | 0 | 0 | 111.7 | P223 A228 E229 | P223-D225 VanDerWaalsContact C-N 3.28Å; P223-D225 PolarHBondContact O-N 3.28Å; D225-A228 PolarHBondContact O-N 3.45Å; D225-E229 WeakPolarHBondContact O-CB 3.23Å; D225-E229 PolarHBondContact O-N 2.96Å |
| 226 | L | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.7 | -40.8 | 176.3 | -179 | 69.3 | 0 | 0 | 0 | 111.2 | F190 L195 L222 P223 P224 A228 E229 M230 | F190-L226 HydrophobicContact CD1-CD1 3.64Å; F190-L226 HydrophobicContact CE1-CD1 3.98Å; L195-L226 HydrophobicContact CD2-CD2 3.99Å; L222-L226 HydrophobicContact CB-CD2 4.29Å; L222-L226 HydrophobicContact CD2-CD2 3.91Å; L222-L226 HydrophobicContact CG-CD2 4.47Å; P223-L226 HydrophobicContact CB-CB 4.42Å; P223-L226 WeakPolarHBondContact O-CB 3.37Å; P223-L226 PolarHBondContact O-N 3.19Å; P224-L226 VanDerWaalsContact C-N 3.31Å; P224-L226 PolarHBondContact O-N 2.69Å; L226-A228 VanDerWaalsContact C-N 3.33Å; L226-E229 PolarHBondContact O-N 2.9Å; L226-M230 HydrophobicContact CD1-CG 4.47Å; L226-M230 HydrophobicContact CD2-SD 4.34Å; L226-M230 HydrophobicContact CG-CG 4.39Å; L226-M230 HydrophobicContact CG-SD 3.97Å; L226-M230 WeakPolarHBondContact O-CB 3.31Å; L226-M230 VanDerWaalsContact O-CG 3.27Å; L226-M230 WeakPolarHBondContact O-CG 3.27Å; L226-M230 PolarHBondContact O-N 3.39Å |
| 227 | V | 95.6 | Very high | 94.4 | Very high | 24 Ų | 24 | 57.1 Ų | 57.1 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | L161 L222 P223 P224 E229 M230 I231 | L161-V227 HydrophobicContact CB-CG1 4.23Å; L161-V227 HydrophobicContact CD1-CG1 3.89Å; L222-V227 HydrophobicContact CB-CG2 3.68Å; L222-V227 HydrophobicContact CD1-CG2 4.44Å; P223-V227 PolarHBondContact O-N 3.5Å; P224-V227 PolarHBondContact O-N 2.81Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 2.99Å; V227-M230 PolarHBondContact O-N 3.39Å; V227-I231 HydrophobicContact CG1-CD1 3.81Å; V227-I231 WeakPolarHBondContact O-CD1 2.93Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.05Å; V227-I231 PolarHBondContact O-N 3.02Å |
| 228 | A | 96.2 | Very high | 94.7 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P224 D225 L226 I231 S232 | P224-A228 PolarHBondContact O-N 2.98Å; D225-A228 PolarHBondContact O-N 3.45Å; L226-A228 VanDerWaalsContact C-N 3.33Å; A228-I231 PolarHBondContact O-N 2.85Å; A228-S232 WeakPolarHBondContact O-CB 3.28Å; A228-S232 PolarHBondContact O-N 2.86Å; A228-S232 PolarHBondContact O-OG 2.81Å |
| 229 | E | 96.8 | Very high | 94.9 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 177.4 | -159.9 | -180 | -170.9 | 0 | 0 | 111.7 | F190 R191 D225 L226 V227 I231 S232 S233 | F190-E229 HydrophobicContact CE1-CB 4.23Å; F190-E229 HydrophobicContact CE1-CG 3.86Å; F190-E229 HydrophobicContact CZ-CB 4.29Å; F190-E229 HydrophobicContact CZ-CG 3.85Å; R191-E229 IonicContact CZ-OE1 2.85Å; R191-E229 VanDerWaalsContact NH1-CD 3.25Å; R191-E229 IonicContact NH1-OE1 2.8Å; R191-E229 PolarHBondContact NH1-OE1 3.14Å; R191-E229 IonicContact NH1-OE2 3.77Å; R191-E229 IonicContact NH2-OE1 3.87Å; D225-E229 WeakPolarHBondContact O-CB 3.23Å; D225-E229 PolarHBondContact O-N 2.96Å; L226-E229 PolarHBondContact O-N 2.9Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 2.99Å; E229-I231 VanDerWaalsContact C-N 3.3Å; E229-I231 PolarHBondContact O-N 3.44Å; E229-S232 WeakPolarHBondContact CA-OG 3.38Å; E229-S232 CarbonylContact O-C 3.52Å; E229-S232 PolarHBondContact O-N 3.02Å; E229-S232 VanDerWaalsContact O-N 3.09Å; E229-S232 PolarHBondContact O-OG 3.49Å; E229-S233 WeakPolarHBondContact O-CB 3.27Å; E229-S233 PolarHBondContact O-N 3.03Å; E229-S233 PolarHBondContact O-OG 2.88Å |
| 230 | M | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 177 | -72.3 | 171.1 | 63.5 | 0 | 0 | 112.9 | L161 F190 L195 L222 L226 V227 T237 Y259 | L161-M230 HydrophobicContact CD1-CB 4.36Å; L161-M230 HydrophobicContact CD2-CE 3.84Å; F190-M230 HydrophobicContact CB-CG 4.39Å; F190-M230 HydrophobicContact CD1-CG 4.04Å; F190-M230 HydrophobicContact CD2-CG 3.71Å; F190-M230 HydrophobicContact CE1-CG 4.17Å; F190-M230 HydrophobicContact CE2-CB 4.37Å; F190-M230 HydrophobicContact CE2-CG 3.85Å; F190-M230 HydrophobicContact CG-CG 3.79Å; F190-M230 HydrophobicContact CZ-CG 4.08Å; L195-M230 HydrophobicContact CD1-CE 3.72Å; L195-M230 HydrophobicContact CD1-SD 4.16Å; L195-M230 HydrophobicContact CD2-SD 4.39Å; L222-M230 HydrophobicContact CD1-CE 4.1Å; L222-M230 HydrophobicContact CD1-SD 3.76Å; L226-M230 HydrophobicContact CD1-CG 4.47Å; L226-M230 HydrophobicContact CD2-SD 4.34Å; L226-M230 HydrophobicContact CG-CG 4.39Å; L226-M230 HydrophobicContact CG-SD 3.97Å; L226-M230 WeakPolarHBondContact O-CB 3.31Å; L226-M230 VanDerWaalsContact O-CG 3.27Å; L226-M230 WeakPolarHBondContact O-CG 3.27Å; L226-M230 PolarHBondContact O-N 3.39Å; V227-M230 PolarHBondContact O-N 3.39Å; M230-T237 HydrophobicContact CE-CG2 4.16Å; M230-Y259 HydrophobicContact CB-CD2 4.21Å; M230-Y259 HydrophobicContact CE-CD2 4.22Å; M230-Y259 HydrophobicContact CE-CE2 3.54Å |
| 231 | I | 96.5 | Very high | 95.9 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 174.4 | -66.6 | 160.2 | 0 | 0 | 0 | 110.5 | P158 L161 V227 A228 E229 S233 D260 | P158-I231 HydrophobicContact CB-CD1 3.85Å; P158-I231 HydrophobicContact CB-CG1 4.28Å; P158-I231 HydrophobicContact CG-CD1 4.47Å; P158-I231 HydrophobicContact CG-CG2 4.27Å; L161-I231 HydrophobicContact CD1-CD1 4.31Å; L161-I231 HydrophobicContact CD1-CG1 3.86Å; V227-I231 HydrophobicContact CG1-CD1 3.81Å; V227-I231 WeakPolarHBondContact O-CD1 2.93Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.05Å; V227-I231 PolarHBondContact O-N 3.02Å; A228-I231 PolarHBondContact O-N 2.85Å; E229-I231 VanDerWaalsContact C-N 3.3Å; E229-I231 PolarHBondContact O-N 3.44Å; I231-S233 VanDerWaalsContact C-N 3.29Å; I231-S233 PolarHBondContact O-N 3.28Å; I231-D260 HydrophobicContact CG2-CB 4.48Å |
| 232 | S | 96.9 | Very high | 96.4 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 62% | 0.615 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -78.5 | -7.8 | -178.8 | 70.3 | 0 | 0 | 0 | 0 | 115 | A228 E229 P234 | A228-S232 WeakPolarHBondContact O-CB 3.28Å; A228-S232 PolarHBondContact O-N 2.86Å; A228-S232 PolarHBondContact O-OG 2.81Å; E229-S232 WeakPolarHBondContact CA-OG 3.38Å; E229-S232 CarbonylContact O-C 3.52Å; E229-S232 PolarHBondContact O-N 3.02Å; E229-S232 VanDerWaalsContact O-N 3.09Å; E229-S232 PolarHBondContact O-OG 3.49Å; S232-P234 WeakPolarHBondContact O-CD 3.48Å |
| 233 | S | 97 | Very high | 96.7 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -125.3 | 70.3 | -175.2 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | R191 E229 I231 E236 | R191-S233 PolarHBondContact NH2-OG 2.81Å; R191-S233 VanDerWaalsContact NH2-OG 3.08Å; E229-S233 WeakPolarHBondContact O-CB 3.27Å; E229-S233 PolarHBondContact O-N 3.03Å; E229-S233 PolarHBondContact O-OG 2.88Å; I231-S233 VanDerWaalsContact C-N 3.29Å; I231-S233 PolarHBondContact O-N 3.28Å; S233-E236 WeakPolarHBondContact O-CB 3.1Å; S233-E236 PolarHBondContact O-N 2.94Å |
| 234 | P | 96.5 | Very high | 96.9 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 141 | -178 | 25.3 | -34.7 | 0 | 0 | 0 | 111.5 | S232 E236 A258 | S232-P234 WeakPolarHBondContact O-CD 3.48Å; P234-E236 PolarHBondContact O-N 3.29Å; P234-E236 VanDerWaalsContact O-N 3.13Å; P234-A258 HydrophobicContact CB-CB 3.67Å |
| 235 | F | 96.1 | Very high | 97 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 25% | 0.254 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 8.3 | 178.3 | -46.6 | -56.1 | 0 | 0 | 0 | 115.8 | R153 R238 D256 Y257 A258 | R153-F235 HydrophobicContact CG-CD1 4.01Å; R153-F235 HydrophobicContact CG-CE1 3.42Å; R153-F235 VanDerWaalsContact CG-CE1 3.42Å; R153-F235 HydrophobicContact CG-CZ 4.09Å; F235-R238 PolarHBondContact O-NE 2.82Å; F235-R238 VanDerWaalsContact O-NE 3.15Å; F235-D256 HydrophobicContact CB-CB 4.21Å; F235-D256 WeakPolarHBondContact CB-OD2 3.42Å; F235-D256 HydrophobicContact CD1-CB 4.29Å; F235-D256 WeakPolarHBondContact CD1-OD2 3.31Å; F235-Y257 WeakPolarHBondContact CA-O 3.32Å; F235-Y257 PolarHBondContact N-O 3.26Å; F235-A258 HydrophobicContact CD1-CB 3.98Å; F235-A258 HydrophobicContact CE1-CB 3.53Å; F235-A258 HydrophobicContact CE2-CB 4.45Å; F235-A258 HydrophobicContact CZ-CB 3.81Å |
| 236 | E | 97.8 | Very high | 96.9 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 30% | 0.304 | 19% | 0.188 | S | C | . | . | trans | -89.1 | -14.4 | 170.4 | -64.5 | -163.3 | -138.3 | 0 | 0 | 113.1 | F190 R191 S233 P234 | F190-E236 HydrophobicContact CD2-CB 4.2Å; F190-E236 HydrophobicContact CE2-CB 3.77Å; R191-E236 HydrophobicContact CG-CB 4.49Å; R191-E236 WeakPolarHBondContact CG-OE2 3.46Å; R191-E236 IonicContact CZ-OE2 2.74Å; R191-E236 PolarHBondContact N-O 2.88Å; R191-E236 IonicContact NE-OE2 3.97Å; R191-E236 PolarHBondContact NE-OE2 2.82Å; R191-E236 IonicContact NH2-OE1 3.67Å; R191-E236 IonicContact NH2-OE2 3.88Å; R191-E236 PolarHBondContact NH2-OE2 3.44Å; S233-E236 WeakPolarHBondContact O-CB 3.1Å; S233-E236 PolarHBondContact O-N 2.94Å; P234-E236 PolarHBondContact O-N 3.29Å; P234-E236 VanDerWaalsContact O-N 3.13Å | ||
| 237 | T | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.1 | 161.7 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | F189 F190 L195 M230 D256 Y257 Y259 | F189-T237 CarbonylContact O-C 3.44Å; F189-T237 VanDerWaalsContact O-CA 3.28Å; F189-T237 WeakPolarHBondContact O-CA 3.46Å; F190-T237 VanDerWaalsContact CD2-OG1 3.29Å; F190-T237 WeakPolarHBondContact CD2-OG1 3.45Å; L195-T237 HydrophobicContact CD1-CG2 3.91Å; M230-T237 HydrophobicContact CE-CG2 4.16Å; T237-D256 WeakPolarHBondContact O-CA 3.48Å; T237-Y257 HydrophobicContact CG2-CD2 3.96Å; T237-Y257 HydrophobicContact CG2-CG 4.41Å; T237-Y257 WeakPolarHBondContact O-CD2 3.16Å; T237-Y257 PolarHBondContact O-N 3.5Å; T237-Y259 HydrophobicContact CG2-CE2 4.02Å; T237-Y259 WeakPolarHBondContact CG2-OH 3.3Å |
| 238 | R | 98.2 | Very high | 96.8 | Very high | 117 Ų | 117 | 41.3 Ų | 41.3 | 44% | 0.442 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.3 | -175.8 | -56.6 | -177.6 | -160.6 | 160.7 | 8.9 | 110.8 | I79 F189 F235 A255 D256 | I79-R238 HydrophobicContact CD1-CB 3.83Å; I79-R238 HydrophobicContact CG1-CB 4.04Å; F189-R238 PolarHBondContact N-O 3.31Å; F189-R238 PolarHBondContact O-N 2.98Å; F235-R238 PolarHBondContact O-NE 2.82Å; F235-R238 VanDerWaalsContact O-NE 3.15Å; R238-A255 CarbonylContact C-O 3.5Å; R238-A255 WeakPolarHBondContact CA-O 3.36Å; R238-D256 HydrophobicContact CG-CB 4.05Å |
| 239 | S | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.7 | 172.4 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | I79 R187 K254 A255 Y257 | I79-S239 VanDerWaalsContact CD1-C 3.47Å; R187-S239 WeakPolarHBondContact O-CA 3.2Å; R187-S239 WeakPolarHBondContact O-CB 2.94Å; S239-K254 WeakPolarHBondContact O-CA 3.38Å; S239-A255 PolarHBondContact N-O 3.42Å; S239-A255 PolarHBondContact O-N 2.85Å; S239-Y257 WeakPolarHBondContact OG-CE2 3.47Å; S239-Y257 PolarHBondContact OG-OH 2.85Å |
| 240 | D | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.2 | 164.3 | -69.2 | -45.3 | 0 | 0 | 0 | 108.9 | I79 T80 E186 R187 F242 H252 K254 | I79-D240 HydrophobicContact CD1-CB 4.18Å; I79-D240 VanDerWaalsContact CD1-OD2 3.23Å; I79-D240 WeakPolarHBondContact CD1-OD2 3.43Å; T80-D240 WeakPolarHBondContact CB-OD2 3.25Å; T80-D240 PolarHBondContact N-OD2 2.91Å; T80-D240 PolarHBondContact OG1-OD1 3.25Å; T80-D240 PolarHBondContact OG1-OD2 3.15Å; E186-D240 CarbonylContact C-O 3.6Å; E186-D240 VanDerWaalsContact CA-O 3.31Å; E186-D240 WeakPolarHBondContact CA-O 3.25Å; R187-D240 PolarHBondContact N-O 2.8Å; R187-D240 PolarHBondContact O-N 3.03Å; R187-D240 VanDerWaalsContact O-N 3.08Å; D240-F242 HydrophobicContact CB-CD2 4.32Å; D240-F242 HydrophobicContact CB-CE1 4.09Å; D240-F242 HydrophobicContact CB-CE2 3.46Å; D240-F242 VanDerWaalsContact CB-CE2 3.46Å; D240-F242 HydrophobicContact CB-CZ 3.32Å; D240-H252 IonicContact OD1-CE1 3.08Å; D240-H252 IonicContact OD1-NE2 2.72Å; D240-H252 PolarHBondContact OD1-NE2 3.09Å; D240-H252 VanDerWaalsContact OD1-NE2 3.08Å; D240-K254 WeakPolarHBondContact OD1-CG 3.17Å; D240-K254 IonicContact OD1-NZ 2.54Å; D240-K254 PolarHBondContact OD1-NZ 2.89Å |
| 241 | S | 97.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.4 | 175 | -45.4 | 0 | 0 | 0 | 0 | 109.1 | E186 H252 N253 | E186-S241 WeakPolarHBondContact CG-OG 3.25Å; E186-S241 PolarHBondContact OE2-OG 3.24Å; S241-H252 WeakPolarHBondContact O-CA 3.43Å; S241-N253 PolarHBondContact N-O 3.18Å; S241-N253 PolarHBondContact O-N 3.14Å |
| 242 | F | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.9 | -176.4 | -54 | -79.3 | 0 | 0 | 0 | 110.5 | V73 L76 T80 L84 M184 I185 R187 D240 F244 L249 H252 | V73-F242 HydrophobicContact CB-CD2 3.82Å; V73-F242 HydrophobicContact CB-CE2 3.93Å; V73-F242 HydrophobicContact CB-CG 4.16Å; V73-F242 HydrophobicContact CB-CZ 4.35Å; V73-F242 HydrophobicContact CG1-CD1 3.88Å; V73-F242 HydrophobicContact CG1-CD2 4.01Å; V73-F242 HydrophobicContact CG1-CE1 4.02Å; V73-F242 HydrophobicContact CG1-CE2 4.14Å; V73-F242 HydrophobicContact CG1-CG 3.87Å; V73-F242 HydrophobicContact CG1-CZ 4.14Å; V73-F242 HydrophobicContact CG2-CD2 4.11Å; V73-F242 HydrophobicContact CG2-CG 4.36Å; L76-F242 HydrophobicContact CD1-CE2 4.03Å; L76-F242 HydrophobicContact CD1-CZ 3.65Å; T80-F242 HydrophobicContact CG2-CZ 4.16Å; L84-F242 HydrophobicContact CD1-CD1 4.41Å; L84-F242 HydrophobicContact CD1-CE1 3.65Å; L84-F242 HydrophobicContact CD1-CZ 4.28Å; L84-F242 HydrophobicContact CG-CE1 4.15Å; M184-F242 CarbonylContact C-O 3.57Å; M184-F242 VanDerWaalsContact CA-O 3.28Å; M184-F242 WeakPolarHBondContact CA-O 3.4Å; I185-F242 PolarHBondContact N-O 3.15Å; I185-F242 WeakPolarHBondContact O-CD2 3.4Å; I185-F242 PolarHBondContact O-N 2.74Å; R187-F242 HydrophobicContact CG-CE2 4.46Å; D240-F242 HydrophobicContact CB-CD2 4.32Å; D240-F242 HydrophobicContact CB-CE1 4.09Å; D240-F242 HydrophobicContact CB-CE2 3.46Å; D240-F242 VanDerWaalsContact CB-CE2 3.46Å; D240-F242 HydrophobicContact CB-CZ 3.32Å; F242-F244 HydrophobicContact CB-CD2 4.34Å; F242-F244 HydrophobicContact CB-CE2 3.51Å; F242-F244 HydrophobicContact CB-CZ 4.05Å; F242-L249 HydrophobicContact CB-CD1 3.85Å; F242-L249 HydrophobicContact CD1-CD1 4.14Å; F242-L249 HydrophobicContact CG-CD1 4.49Å; F242-H252 HydrophobicContact CD1-CB 4.27Å; F242-H252 AromaticContact CD1-CD2 3.7Å; F242-H252 AromaticContact CD1-CG 3.81Å; F242-H252 AromaticContact CE1-CD2 3.56Å; F242-H252 AromaticContact CE1-CE1 3.58Å; F242-H252 AromaticContact CE1-CG 3.82Å; F242-H252 AromaticContact CE1-ND1 3.81Å; F242-H252 AromaticContact CE1-NE2 3.43Å; F242-H252 WeakPolarHBondContact CE1-NE2 3.43Å; F242-H252 AromaticContact CZ-NE2 3.95Å |
| 243 | Y | 97.4 | Very high | 96.7 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 8% | 0.078 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.8 | -179.8 | -66 | -91.6 | 0 | 0 | 0 | 110.8 | F96 F182 R183 M184 F202 V250 M251 | F96-Y243 HydrophobicContact CE1-CE1 4.26Å; F96-Y243 HydrophobicContact CE2-CE1 4.08Å; F96-Y243 HydrophobicContact CE2-CE2 4.35Å; F96-Y243 AromaticContact CE2-CZ 3.93Å; F96-Y243 HydrophobicContact CZ-CD1 4.04Å; F96-Y243 AromaticContact CZ-CE1 3.4Å; F96-Y243 HydrophobicContact CZ-CE1 3.4Å; F96-Y243 VanDerWaalsContact CZ-CE1 3.4Å; F96-Y243 HydrophobicContact CZ-CE2 4.45Å; F96-Y243 AromaticContact CZ-CZ 3.63Å; F182-Y243 AromaticContact CE2-CD1 3.82Å; F182-Y243 HydrophobicContact CE2-CD1 3.82Å; F182-Y243 HydrophobicContact CE2-CG 4.37Å; F182-Y243 AromaticContact CZ-CD1 3.58Å; F182-Y243 HydrophobicContact CZ-CD1 3.58Å; F182-Y243 HydrophobicContact CZ-CE1 4.25Å; F182-Y243 HydrophobicContact CZ-CG 4.45Å; R183-Y243 CarbonylContact O-C 3.51Å; R183-Y243 WeakPolarHBondContact O-CA 3.38Å; M184-Y243 HydrophobicContact CB-CD1 3.89Å; M184-Y243 HydrophobicContact CB-CE1 3.84Å; M184-Y243 HydrophobicContact CG-CD1 4.07Å; M184-Y243 HydrophobicContact CG-CE1 3.73Å; M184-Y243 HydrophobicContact CG-CE2 4.46Å; M184-Y243 HydrophobicContact SD-CD1 4.41Å; M184-Y243 HydrophobicContact SD-CE1 3.49Å; M184-Y243 WeakPolarHBondContact SD-CE1 3.47Å; M184-Y243 HydrophobicContact SD-CE2 4.33Å; M184-Y243 PolarHBondContact SD-OH 2.78Å; F202-Y243 HydrophobicContact CZ-CE1 4.23Å; Y243-V250 VanDerWaalsContact O-CG2 3.31Å; Y243-V250 WeakPolarHBondContact O-CG2 3.36Å; Y243-V250 PolarHBondContact O-N 3.15Å; Y243-M251 HydrophobicContact CD1-CE 4.06Å; Y243-M251 HydrophobicContact CD2-CB 3.89Å; Y243-M251 HydrophobicContact CD2-CE 4.16Å; Y243-M251 HydrophobicContact CG-CB 4.24Å; Y243-M251 HydrophobicContact CG-CE 3.75Å; Y243-M251 PolarHBondContact N-O 3.24Å; Y243-M251 PolarHBondContact O-N 2.98Å |
| 244 | F | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.1 | -178.3 | -63.3 | -91.2 | 0 | 0 | 0 | 111.3 | V68 P70 V73 F182 R183 I185 F242 R248 L249 | V68-F244 WeakPolarHBondContact O-CE1 3.24Å; P70-F244 HydrophobicContact CG-CB 4.5Å; P70-F244 HydrophobicContact CG-CD1 3.75Å; P70-F244 HydrophobicContact CG-CD2 4.26Å; P70-F244 HydrophobicContact CG-CE1 3.97Å; P70-F244 HydrophobicContact CG-CE2 4.44Å; P70-F244 HydrophobicContact CG-CG 3.92Å; P70-F244 HydrophobicContact CG-CZ 4.31Å; V73-F244 HydrophobicContact CG1-CZ 3.99Å; V73-F244 HydrophobicContact CG2-CE2 3.79Å; V73-F244 HydrophobicContact CG2-CZ 3.68Å; F182-F244 WeakPolarHBondContact CA-O 3.39Å; F182-F244 WeakPolarHBondContact CD2-O 3.08Å; R183-F244 PolarHBondContact N-O 2.7Å; R183-F244 PolarHBondContact O-N 3.16Å; I185-F244 HydrophobicContact CD1-CD2 4.37Å; I185-F244 HydrophobicContact CD1-CE2 3.99Å; I185-F244 HydrophobicContact CG1-CE2 4.46Å; F242-F244 HydrophobicContact CB-CD2 4.34Å; F242-F244 HydrophobicContact CB-CE2 3.51Å; F242-F244 HydrophobicContact CB-CZ 4.05Å; F244-R248 VanDerWaalsContact CA-O 3.24Å; F244-R248 WeakPolarHBondContact CA-O 3.31Å; F244-L249 HydrophobicContact CD1-CB 4.16Å; F244-L249 HydrophobicContact CE1-CB 3.82Å; F244-L249 HydrophobicContact CE1-CD1 4.08Å; F244-L249 HydrophobicContact CE2-CD1 4.31Å; F244-L249 HydrophobicContact CZ-CB 4.5Å; F244-L249 HydrophobicContact CZ-CD1 3.97Å |
| 245 | V | 96.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.2 | 166.8 | 179.3 | 0 | 0 | 0 | 0 | 107.1 | F92 I94 L179 F182 N247 R248 V250 | F92-V245 HydrophobicContact CD2-CB 4.29Å; F92-V245 HydrophobicContact CD2-CG1 4.38Å; F92-V245 HydrophobicContact CD2-CG2 4.14Å; F92-V245 HydrophobicContact CE1-CG1 3.97Å; F92-V245 HydrophobicContact CE2-CB 3.82Å; F92-V245 HydrophobicContact CE2-CG1 3.8Å; F92-V245 HydrophobicContact CE2-CG2 4.18Å; F92-V245 HydrophobicContact CZ-CB 4.12Å; F92-V245 HydrophobicContact CZ-CG1 3.57Å; I94-V245 HydrophobicContact CD1-CG2 4.22Å; L179-V245 HydrophobicContact CB-CG1 4.43Å; L179-V245 HydrophobicContact CB-CG2 4.48Å; L179-V245 HydrophobicContact CD2-CG2 4.11Å; F182-V245 HydrophobicContact CD2-CG2 3.72Å; F182-V245 HydrophobicContact CE2-CG2 4.29Å; V245-N247 VanDerWaalsContact C-N 3.27Å; V245-N247 PolarHBondContact O-N 3.14Å; V245-R248 PolarHBondContact N-O 3.14Å; V245-R248 PolarHBondContact O-N 3.28Å; V245-R248 VanDerWaalsContact O-N 3.07Å; V245-V250 HydrophobicContact CB-CG1 4.06Å; V245-V250 HydrophobicContact CB-CG2 4.48Å; V245-V250 HydrophobicContact CG2-CG1 4.13Å; V245-V250 HydrophobicContact CG2-CG2 3.75Å |
| 246 | G | 94 | Very high | 96.7 | Very high | 44 Ų | 44 | 27.1 Ų | 27.1 | 45% | 0.454 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 40.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N180 R248 | N180-G246 PolarHBondContact O-N 3.36Å; G246-R248 PolarHBondContact O-N 2.96Å |
| 247 | N | 94.4 | Very high | 96.6 | Very high | 98 Ų | 98 | 24.9 Ų | 24.9 | 52% | 0.524 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 9.8 | -176 | -56.4 | -31.8 | 0 | 0 | 0 | 115.9 | P70 V245 | P70-N247 HydrophobicContact CG-CB 4.13Å; V245-N247 VanDerWaalsContact C-N 3.27Å; V245-N247 PolarHBondContact O-N 3.14Å |
| 248 | R | 95.2 | Very high | 96.5 | Very high | 114 Ų | 114 | 24.9 Ų | 24.9 | 43% | 0.43 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.9 | 170.8 | 176.9 | 177.9 | 162.3 | -164.1 | -6.7 | 109.8 | F244 V245 G246 V250 | F244-R248 VanDerWaalsContact CA-O 3.24Å; F244-R248 WeakPolarHBondContact CA-O 3.31Å; V245-R248 PolarHBondContact N-O 3.14Å; V245-R248 PolarHBondContact O-N 3.28Å; V245-R248 VanDerWaalsContact O-N 3.07Å; G246-R248 PolarHBondContact O-N 2.96Å; R248-V250 PolarHBondContact O-N 3.19Å |
| 249 | L | 97.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 121.1 | 172.7 | -175 | 65.6 | 0 | 0 | 0 | 109.7 | V68 L84 C85 F242 F244 M251 | V68-L249 HydrophobicContact CB-CB 4.3Å; V68-L249 HydrophobicContact CB-CD2 3.91Å; V68-L249 HydrophobicContact CG1-CD2 4.02Å; V68-L249 HydrophobicContact CG2-CD2 4.42Å; L84-L249 HydrophobicContact CB-CD2 3.74Å; C85-L249 HydrophobicContact CB-CD2 3.83Å; C85-L249 HydrophobicContact CB-CG 4.08Å; F242-L249 HydrophobicContact CB-CD1 3.85Å; F242-L249 HydrophobicContact CD1-CD1 4.14Å; F242-L249 HydrophobicContact CG-CD1 4.49Å; F244-L249 HydrophobicContact CD1-CB 4.16Å; F244-L249 HydrophobicContact CE1-CB 3.82Å; F244-L249 HydrophobicContact CE1-CD1 4.08Å; F244-L249 HydrophobicContact CE2-CD1 4.31Å; F244-L249 HydrophobicContact CZ-CB 4.5Å; F244-L249 HydrophobicContact CZ-CD1 3.97Å; L249-M251 VanDerWaalsContact CD1-O 3.25Å; L249-M251 WeakPolarHBondContact CD1-O 3.48Å |
| 250 | V | 95.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -26.4 | -179.1 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | A89 N90 F92 I94 Y243 V245 R248 | A89-V250 CarbonylContact C-O 3.57Å; A89-V250 VanDerWaalsContact C-O 3.27Å; A89-V250 WeakPolarHBondContact CB-O 3.48Å; N90-V250 PolarHBondContact N-O 3.07Å; F92-V250 HydrophobicContact CD2-CG1 3.86Å; F92-V250 HydrophobicContact CE2-CG1 3.7Å; I94-V250 HydrophobicContact CD1-CG2 4.2Å; Y243-V250 VanDerWaalsContact O-CG2 3.31Å; Y243-V250 WeakPolarHBondContact O-CG2 3.36Å; Y243-V250 PolarHBondContact O-N 3.15Å; V245-V250 HydrophobicContact CB-CG1 4.06Å; V245-V250 HydrophobicContact CB-CG2 4.48Å; V245-V250 HydrophobicContact CG2-CG1 4.13Å; V245-V250 HydrophobicContact CG2-CG2 3.75Å; R248-V250 PolarHBondContact O-N 3.19Å |
| 251 | M | 95.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 7% | 0.074 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150.7 | 173.4 | -57.6 | 175.7 | -69.1 | 0 | 0 | 109.4 | N90 I94 F96 F182 Y243 L249 | N90-M251 HydrophobicContact CB-CG 3.95Å; N90-M251 HydrophobicContact CB-SD 4.46Å; I94-M251 HydrophobicContact CB-CE 3.8Å; I94-M251 HydrophobicContact CB-SD 4.09Å; I94-M251 HydrophobicContact CD1-CE 3.74Å; I94-M251 HydrophobicContact CG1-CE 4.38Å; I94-M251 HydrophobicContact CG2-CE 3.66Å; I94-M251 HydrophobicContact CG2-SD 4.34Å; F96-M251 HydrophobicContact CE2-CE 3.51Å; F96-M251 HydrophobicContact CE2-SD 3.95Å; F96-M251 HydrophobicContact CZ-CE 3.93Å; F182-M251 HydrophobicContact CE2-CE 4.36Å; F182-M251 HydrophobicContact CZ-CE 4.19Å; Y243-M251 HydrophobicContact CD1-CE 4.06Å; Y243-M251 HydrophobicContact CD2-CB 3.89Å; Y243-M251 HydrophobicContact CD2-CE 4.16Å; Y243-M251 HydrophobicContact CG-CB 4.24Å; Y243-M251 HydrophobicContact CG-CE 3.75Å; Y243-M251 PolarHBondContact N-O 3.24Å; Y243-M251 PolarHBondContact O-N 2.98Å; L249-M251 VanDerWaalsContact CD1-O 3.25Å; L249-M251 WeakPolarHBondContact CD1-O 3.48Å |
| 252 | H | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 116.1 | 173.8 | 171 | -162.8 | 0 | 0 | 0 | 107.2 | T80 Y83 L84 R150 D240 S241 F242 | T80-H252 PolarHBondContact OG1-CE1 3.05Å; T80-H252 PolarHBondContact OG1-NE2 2.83Å; Y83-H252 WeakPolarHBondContact CA-ND1 3.37Å; Y83-H252 HydrophobicContact CD1-CB 4.47Å; Y83-H252 AromaticContact CD1-ND1 3.98Å; Y83-H252 WeakPolarHBondContact CD1-O 3.21Å; Y83-H252 WeakPolarHBondContact CE1-O 3.39Å; L84-H252 PolarHBondContact N-ND1 2.76Å; R150-H252 VanDerWaalsContact CZ-O 3.28Å; R150-H252 PolarHBondContact NE-O 2.98Å; R150-H252 PolarHBondContact NH2-O 3.31Å; D240-H252 IonicContact OD1-CE1 3.08Å; D240-H252 IonicContact OD1-NE2 2.72Å; D240-H252 PolarHBondContact OD1-NE2 3.09Å; D240-H252 VanDerWaalsContact OD1-NE2 3.08Å; S241-H252 WeakPolarHBondContact O-CA 3.43Å; F242-H252 HydrophobicContact CD1-CB 4.27Å; F242-H252 AromaticContact CD1-CD2 3.7Å; F242-H252 AromaticContact CD1-CG 3.81Å; F242-H252 AromaticContact CE1-CD2 3.56Å; F242-H252 AromaticContact CE1-CE1 3.58Å; F242-H252 AromaticContact CE1-CG 3.82Å; F242-H252 AromaticContact CE1-ND1 3.81Å; F242-H252 AromaticContact CE1-NE2 3.43Å; F242-H252 WeakPolarHBondContact CE1-NE2 3.43Å; F242-H252 AromaticContact CZ-NE2 3.95Å |
| 253 | N | 95.4 | Very high | 93 | Very high | 35 Ų | 35 | 29.6 Ų | 29.6 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 152.2 | 179.5 | -63.2 | -0.7 | 0 | 0 | 0 | 109.2 | R150 S241 | R150-N253 CarbonylContact O-C 3.44Å; R150-N253 VanDerWaalsContact O-CA 3.23Å; R150-N253 WeakPolarHBondContact O-CA 3.38Å; S241-N253 PolarHBondContact N-O 3.18Å; S241-N253 PolarHBondContact O-N 3.14Å |
| 254 | K | 96.6 | Very high | 90.6 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 11% | 0.109 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.1 | -179.4 | -71.6 | 179.6 | 178.2 | -70.9 | 0 | 109.7 | T80 Y83 R150 Y151 V152 S239 D240 | T80-K254 PolarHBondContact O-NZ 3.19Å; T80-K254 PolarHBondContact OG1-NZ 3.44Å; Y83-K254 HydrophobicContact CD1-CD 4.08Å; Y83-K254 HydrophobicContact CD1-CG 4.21Å; Y83-K254 HydrophobicContact CE1-CB 4.21Å; Y83-K254 HydrophobicContact CE1-CD 3.67Å; Y83-K254 HydrophobicContact CE1-CG 3.67Å; Y83-K254 HydrophobicContact CE2-CD 4.45Å; R150-K254 PolarHBondContact O-N 3.14Å; Y151-K254 CarbonylContact C-O 3.52Å; Y151-K254 VanDerWaalsContact CA-O 3.31Å; Y151-K254 WeakPolarHBondContact CA-O 3.26Å; Y151-K254 HydrophobicContact CD2-CB 3.71Å; Y151-K254 HydrophobicContact CE2-CB 4.15Å; V152-K254 PolarHBondContact N-O 2.96Å; S239-K254 WeakPolarHBondContact O-CA 3.38Å; D240-K254 WeakPolarHBondContact OD1-CG 3.17Å; D240-K254 IonicContact OD1-NZ 2.54Å; D240-K254 PolarHBondContact OD1-NZ 2.89Å |
| 255 | A | 96 | Very high | 87.8 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V152 Y154 R238 S239 Y257 | V152-A255 HydrophobicContact CB-CB 4.44Å; V152-A255 WeakPolarHBondContact O-CA 3.21Å; V152-A255 VanDerWaalsContact O-CB 3.23Å; V152-A255 WeakPolarHBondContact O-CB 3.25Å; Y154-A255 HydrophobicContact CD2-CB 4.06Å; Y154-A255 HydrophobicContact CE2-CB 3.86Å; R238-A255 CarbonylContact C-O 3.5Å; R238-A255 WeakPolarHBondContact CA-O 3.36Å; S239-A255 PolarHBondContact N-O 3.42Å; S239-A255 PolarHBondContact O-N 2.85Å; A255-Y257 HydrophobicContact CB-CE2 4.02Å |
| 256 | D | 97 | Very high | 87.3 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155 | 165.6 | 71.2 | -0.8 | 0 | 0 | 0 | 111 | Y151 V152 R153 Y154 F235 T237 R238 | Y151-D256 PolarHBondContact OH-OD1 3.09Å; Y151-D256 PolarHBondContact OH-OD2 3.31Å; V152-D256 PolarHBondContact O-N 3.41Å; V152-D256 VanDerWaalsContact O-N 3.14Å; R153-D256 VanDerWaalsContact CA-OD1 3.25Å; R153-D256 WeakPolarHBondContact CA-OD1 3.5Å; R153-D256 VanDerWaalsContact CB-OD1 3.25Å; R153-D256 WeakPolarHBondContact CB-OD1 3.48Å; R153-D256 WeakPolarHBondContact CG-OD1 3.43Å; R153-D256 IonicContact CZ-OD1 2.7Å; R153-D256 IonicContact CZ-OD2 3.49Å; R153-D256 VanDerWaalsContact CZ-OD2 3.29Å; R153-D256 IonicContact NE-OD1 3.88Å; R153-D256 PolarHBondContact NE-OD1 3.03Å; R153-D256 IonicContact NE-OD2 3.29Å; R153-D256 PolarHBondContact NE-OD2 2.82Å; R153-D256 IonicContact NH2-OD2 3.39Å; R153-D256 PolarHBondContact NH2-OD2 2.95Å; Y154-D256 PolarHBondContact N-O 3.33Å; F235-D256 HydrophobicContact CB-CB 4.21Å; F235-D256 WeakPolarHBondContact CB-OD2 3.42Å; F235-D256 HydrophobicContact CD1-CB 4.29Å; F235-D256 WeakPolarHBondContact CD1-OD2 3.31Å; T237-D256 WeakPolarHBondContact O-CA 3.48Å; R238-D256 HydrophobicContact CG-CB 4.05Å |
| 257 | Y | 96.7 | Very high | 86.9 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 7% | 0.071 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130.1 | -170 | -52.6 | -95.2 | 0 | 0 | 0 | 110.3 | Y154 F156 H188 F235 T237 S239 A255 Y259 | Y154-Y257 AromaticContact CD2-CD1 3.7Å; Y154-Y257 HydrophobicContact CD2-CD1 3.7Å; Y154-Y257 AromaticContact CD2-CE1 3.31Å; Y154-Y257 HydrophobicContact CD2-CE1 3.31Å; Y154-Y257 AromaticContact CD2-CZ 3.99Å; Y154-Y257 AromaticContact CE2-CE1 3.89Å; Y154-Y257 HydrophobicContact CE2-CE1 3.89Å; Y154-Y257 HydrophobicContact CG-CD1 4.03Å; Y154-Y257 AromaticContact CG-CE1 3.99Å; Y154-Y257 HydrophobicContact CG-CE1 3.99Å; Y154-Y257 WeakPolarHBondContact O-CA 3.35Å; F156-Y257 HydrophobicContact CD2-CD1 4.48Å; F156-Y257 HydrophobicContact CE2-CD1 4.12Å; F156-Y257 HydrophobicContact CE2-CE1 4.49Å; H188-Y257 AromaticContact CE1-CZ 3.75Å; H188-Y257 PolarHBondContact CE1-OH 2.84Å; H188-Y257 VanDerWaalsContact CE1-OH 3.29Å; F235-Y257 WeakPolarHBondContact CA-O 3.32Å; F235-Y257 PolarHBondContact N-O 3.26Å; T237-Y257 HydrophobicContact CG2-CD2 3.96Å; T237-Y257 HydrophobicContact CG2-CG 4.41Å; T237-Y257 WeakPolarHBondContact O-CD2 3.16Å; T237-Y257 PolarHBondContact O-N 3.5Å; S239-Y257 WeakPolarHBondContact OG-CE2 3.47Å; S239-Y257 PolarHBondContact OG-OH 2.85Å; A255-Y257 HydrophobicContact CB-CE2 4.02Å; Y257-Y259 WeakPolarHBondContact CB-OH 3.49Å |
| 258 | A | 96.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y154 Q155 F156 P234 F235 | Y154-A258 PolarHBondContact O-N 2.69Å; Q155-A258 HydrophobicContact CG-CB 4.3Å; F156-A258 PolarHBondContact N-O 3.12Å; P234-A258 HydrophobicContact CB-CB 3.67Å; F235-A258 HydrophobicContact CD1-CB 3.98Å; F235-A258 HydrophobicContact CE1-CB 3.53Å; F235-A258 HydrophobicContact CE2-CB 4.45Å; F235-A258 HydrophobicContact CZ-CB 3.81Å |
| 259 | Y | 95.3 | Very high | 86 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 4% | 0.043 | 25% | 0.248 | C | C | . | . | trans | -116.8 | 16.1 | -178.9 | -55.4 | -72.5 | 0 | 0 | 0 | 112.4 | F156 T157 P158 F160 L161 M230 T237 Y257 | F156-Y259 HydrophobicContact CB-CD1 4.17Å; F156-Y259 HydrophobicContact CD2-CD1 4.48Å; F156-Y259 HydrophobicContact CD2-CE1 4.2Å; F156-Y259 CarbonylContact O-C 3.6Å; F156-Y259 WeakPolarHBondContact O-CA 3.42Å; T157-Y259 CarbonylContact C-O 3.41Å; P158-Y259 VanDerWaalsContact CA-O 3.29Å; P158-Y259 WeakPolarHBondContact CA-O 3.41Å; P158-Y259 WeakPolarHBondContact CD-O 3.33Å; P158-Y259 WeakPolarHBondContact CG-O 3.23Å; F160-Y259 HydrophobicContact CD1-CD1 4.13Å; F160-Y259 AromaticContact CD1-CE1 3.73Å; F160-Y259 HydrophobicContact CD1-CE1 3.73Å; F160-Y259 HydrophobicContact CE1-CE1 4.14Å; L161-Y259 HydrophobicContact CD1-CD1 4.25Å; L161-Y259 HydrophobicContact CD1-CD2 3.94Å; L161-Y259 HydrophobicContact CD1-CG 3.76Å; L161-Y259 HydrophobicContact CD2-CD1 3.84Å; L161-Y259 HydrophobicContact CD2-CD2 4.17Å; L161-Y259 HydrophobicContact CD2-CE1 3.72Å; L161-Y259 HydrophobicContact CD2-CE2 4.03Å; L161-Y259 HydrophobicContact CD2-CG 4.07Å; L161-Y259 HydrophobicContact CG-CD1 3.84Å; L161-Y259 HydrophobicContact CG-CD2 4.33Å; L161-Y259 HydrophobicContact CG-CE1 4.25Å; L161-Y259 HydrophobicContact CG-CG 3.89Å; M230-Y259 HydrophobicContact CB-CD2 4.21Å; M230-Y259 HydrophobicContact CE-CD2 4.22Å; M230-Y259 HydrophobicContact CE-CE2 3.54Å; T237-Y259 HydrophobicContact CG2-CE2 4.02Å; T237-Y259 WeakPolarHBondContact CG2-OH 3.3Å; Y257-Y259 WeakPolarHBondContact CB-OH 3.49Å | ||
| 260 | D | 93.6 | Very high | 85.3 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | trans | -99.4 | 8.1 | 179.2 | 65 | -12.1 | 0 | 0 | 0 | 112.9 | F156 I231 G262 N263 | F156-D260 PolarHBondContact O-N 2.8Å; I231-D260 HydrophobicContact CG2-CB 4.48Å; D260-G262 PolarHBondContact O-N 3.01Å; D260-N263 VanDerWaalsContact O-CB 3.23Å; D260-N263 WeakPolarHBondContact O-CB 3.39Å; D260-N263 PolarHBondContact O-N 2.9Å; D260-N263 VanDerWaalsContact O-N 3.09Å; D260-N263 PolarHBondContact O-ND2 2.9Å | ||
| 261 | G | 86.6 | Confident | 84.6 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 136.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F156 T157 N263 | F156-G261 VanDerWaalsContact O-CA 3.31Å; F156-G261 WeakPolarHBondContact O-CA 3.31Å; F156-G261 PolarHBondContact O-N 2.79Å; T157-G261 VanDerWaalsContact CA-O 3.3Å; T157-G261 WeakPolarHBondContact CA-O 3.5Å; T157-G261 WeakPolarHBondContact CB-O 3.44Å; T157-G261 WeakPolarHBondContact CG2-O 3.36Å; G261-N263 PolarHBondContact O-N 2.7Å |
| 262 | G | 77.7 | Confident | 83.9 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 75% | 0.753 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -5.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | D260 I264 | D260-G262 PolarHBondContact O-N 3.01Å; G262-I264 PolarHBondContact O-N 2.88Å; G262-I264 VanDerWaalsContact O-N 3.1Å |
| 263 | N | 61.3 | Low | 82.9 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | trans | -68.9 | 107.6 | 165 | -64.9 | -20.9 | 0 | 0 | 0 | 107.7 | D260 G261 V265 | D260-N263 VanDerWaalsContact O-CB 3.23Å; D260-N263 WeakPolarHBondContact O-CB 3.39Å; D260-N263 PolarHBondContact O-N 2.9Å; D260-N263 VanDerWaalsContact O-N 3.09Å; D260-N263 PolarHBondContact O-ND2 2.9Å; G261-N263 PolarHBondContact O-N 2.7Å; N263-V265 PolarHBondContact O-N 2.69Å | ||
| 264 | I | 46.2 | Very low | 81.8 | Confident | 169 Ų | 169 | 54.1 Ų | 54.1 | 87% | 0.867 | 33% | 0.328 | S | S | * | . | trans | -70.7 | 111.3 | 166.9 | -55.9 | 170.9 | 0 | 0 | 0 | 105.6 | G262 | G262-I264 PolarHBondContact O-N 2.88Å; G262-I264 VanDerWaalsContact O-N 3.1Å | ||
| 265 | V | 39 | Very low | 80.5 | Confident | 201 Ų | 201 | 56.7 Ų | 56.7 | 100% | 1.218 | 35% | 0.348 | S | S | * | . | trans | -70.7 | 0 | 166.6 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | N263 | N263-V265 PolarHBondContact O-N 2.69Š|
Retrieved 265 of 265 residues in 102.6 ms
(Link to these results)