| 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 | 47 | Very low | 51.2 | Low | 241 Ų | 241 | 165.2 Ų | 165.2 | 100% | 1.187 | 88% | 0.883 | S | S | * | * | 0 | 114.8 | 0 | -52.2 | 177.2 | 85 | 0 | 0 | 105 | |||||
| 2 | S | 60 | Low | 50.5 | Low | 121 Ų | 121 | 169.9 Ų | 169.9 | 85% | 0.846 | 89% | 0.89 | S | S | * | * | cis | -146.4 | 135.5 | 18.3 | -65.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | K | 47.4 | Very low | 50.4 | Low | 196 Ų | 196 | 162.4 Ų | 162.4 | 85% | 0.852 | 88% | 0.879 | S | S | * | * | trans | -86.5 | 139.4 | 167.3 | -68.9 | 174.7 | 176.7 | 174.3 | 0 | 107.4 | ||||
| 4 | N | 57.1 | Low | 50.4 | Low | 174 Ų | 174 | 164.9 Ų | 164.9 | 93% | 0.93 | 88% | 0.877 | S | S | * | * | trans | -140.1 | 110 | 150.7 | -96.2 | -1.4 | 0 | 0 | 0 | 109.1 | ||||
| 5 | T | 45.8 | Very low | 49.6 | Very low | 136 Ų | 136 | 163.9 Ų | 163.9 | 83% | 0.834 | 87% | 0.873 | S | S | * | * | trans | -99.6 | 128.9 | 165.4 | 46 | 0 | 0 | 0 | 0 | 108 | ||||
| 6 | S | 58.7 | Low | 49.6 | Very low | 123 Ų | 123 | 162.8 Ų | 162.8 | 86% | 0.86 | 87% | 0.865 | S | S | * | * | trans | -131.3 | 118.4 | 161 | 53.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 7 | R | 45.8 | Very low | 49.3 | Very low | 240 Ų | 240 | 161.2 Ų | 161.2 | 91% | 0.906 | 86% | 0.857 | S | S | * | * | trans | -86.5 | 169.8 | 176.9 | -77.4 | 178.3 | 172.1 | 166 | -2.8 | 111.6 | ||||
| 8 | S | 52.3 | Low | 49 | Very low | 119 Ų | 119 | 159.2 Ų | 159.2 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | trans | 94.2 | 138.3 | 166.9 | 85.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 9 | K | 52.3 | Low | 48.8 | Very low | 187 Ų | 187 | 155.8 Ų | 155.8 | 81% | 0.813 | 84% | 0.842 | S | S | * | * | cis | -161.3 | 145.5 | 27.8 | -171.3 | 171.4 | 176.2 | 176.3 | 0 | 108.7 | ||||
| 10 | A | 45.9 | Very low | 48.9 | Very low | 97 Ų | 97 | 155.8 Ų | 155.8 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | trans | -66.6 | 127.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 11 | E | 50.9 | Low | 49.2 | Very low | 183 Ų | 183 | 155.3 Ų | 155.3 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -129.7 | 130.1 | 160 | -78.6 | -167.6 | 163.6 | 0 | 0 | 110.5 | G13 | E11-G13 PolarHBondContact O-N 3.28Š| ||
| 12 | K | 43 | Very low | 49.9 | Very low | 222 Ų | 222 | 148 Ų | 148 | 97% | 0.965 | 81% | 0.805 | S | S | * | * | trans | -84.3 | 92.5 | -173.5 | -160.3 | 169.8 | -176.5 | 175.6 | 0 | 106.8 | ||||
| 13 | G | 49.4 | Very low | 50 | Low | 72 Ų | 72 | 148.4 Ų | 148.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -101.7 | 123 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | E11 | E11-G13 PolarHBondContact O-N 3.28Š| ||
| 14 | K | 50.1 | Low | 51.1 | Low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -40.9 | 136.2 | 178.7 | -86.4 | 158.3 | 165.2 | 170.3 | 0 | 115.6 | I16 | K14-I16 PolarHBondContact O-N 3.2Š| ||
| 15 | N | 37.8 | Very low | 51.8 | Low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | trans | -27.1 | 109 | 148.4 | -125.3 | -12.6 | 0 | 0 | 0 | 112.4 | ||||
| 16 | I | 49.8 | Very low | 53.1 | Low | 146 Ų | 146 | 134.9 Ų | 134.9 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | -121.2 | 105.6 | 158.4 | -65.4 | 170.5 | 0 | 0 | 0 | 104.4 | K14 T18 | K14-I16 PolarHBondContact O-N 3.2Å; I16-T18 PolarHBondContact O-N 2.9Å | ||
| 17 | N | 44.9 | Very low | 53.7 | Low | 136 Ų | 136 | 134.2 Ų | 134.2 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -54.6 | 100.9 | 168.8 | -63.9 | -32.4 | 0 | 0 | 0 | 107.5 | S19 | N17-S19 PolarHBondContact O-N 2.91Š| ||
| 18 | T | 44 | Very low | 54.9 | Low | 124 Ų | 124 | 126.2 Ų | 126.2 | 76% | 0.761 | 71% | 0.713 | S | S | * | * | trans | -68.2 | 84.6 | 155.7 | 46 | 0 | 0 | 0 | 0 | 105.5 | I16 L20 | I16-T18 PolarHBondContact O-N 2.9Å; T18-L20 VanDerWaalsContact C-N 3.28Å; T18-L20 PolarHBondContact O-N 3.01Å | ||
| 19 | S | 44.4 | Very low | 56 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | trans | -51.8 | 105 | 157.5 | 49.1 | 0 | 0 | 0 | 0 | 105.3 | N17 I21 | N17-S19 PolarHBondContact O-N 2.91Å; S19-I21 PolarHBondContact O-N 2.76Å | ||
| 20 | L | 51.6 | Low | 57 | Low | 156 Ų | 156 | 120.1 Ų | 120.1 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | trans | -46.4 | 116.5 | 159.3 | -89.3 | 99.3 | 0 | 0 | 0 | 104.7 | T18 V22 | T18-L20 VanDerWaalsContact C-N 3.28Å; T18-L20 PolarHBondContact O-N 3.01Å; L20-V22 PolarHBondContact O-N 2.97Å | ||
| 21 | I | 55.8 | Low | 58.9 | Low | 146 Ų | 146 | 117 Ų | 117 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | trans | -66.3 | 87.9 | 172.9 | -62.2 | 167.6 | 0 | 0 | 0 | 103.6 | S19 Q23 | S19-I21 PolarHBondContact O-N 2.76Å; I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 HydrophobicContact CG2-CG 4.35Å; I21-Q23 PolarHBondContact O-N 2.9Å | ||
| 22 | V | 60.6 | Low | 60.6 | Low | 88 Ų | 88 | 112.4 Ų | 112.4 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | trans | -63.3 | 105.7 | 165.9 | -177.2 | 0 | 0 | 0 | 0 | 103.3 | L20 D24 | L20-V22 PolarHBondContact O-N 2.97Å; V22-D24 VanDerWaalsContact CG1-OD1 3.29Å; V22-D24 WeakPolarHBondContact CG1-OD1 3.24Å; V22-D24 PolarHBondContact O-N 2.93Å | ||
| 23 | Q | 62.2 | Low | 62.7 | Low | 128 Ų | 128 | 105.6 Ų | 105.6 | 60% | 0.598 | 60% | 0.604 | S | S | * | * | trans | -67.4 | 97.3 | 169.5 | -73.1 | -171.3 | 17.5 | 0 | 0 | 105.5 | I21 V25 E32 | I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 HydrophobicContact CG2-CG 4.35Å; I21-Q23 PolarHBondContact O-N 2.9Å; Q23-V25 PolarHBondContact O-N 3.43Å; Q23-E32 VanDerWaalsContact O-CB 3.24Å; Q23-E32 WeakPolarHBondContact O-CB 3.29Å; Q23-E32 PolarHBondContact O-N 2.9Å | ||
| 24 | D | 70.4 | Confident | 64.6 | Low | 67 Ų | 67 | 107 Ų | 107 | 36% | 0.358 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.6 | 115.2 | 170.1 | -77.7 | -2.4 | 0 | 0 | 0 | 107.3 | V22 I26 G28 | V22-D24 VanDerWaalsContact CG1-OD1 3.29Å; V22-D24 WeakPolarHBondContact CG1-OD1 3.24Å; V22-D24 PolarHBondContact O-N 2.93Å; D24-I26 PolarHBondContact O-N 3.44Å; D24-G28 PolarHBondContact OD2-N 3.1Å |
| 25 | V | 71.9 | Confident | 66.5 | Low | 88 Ų | 88 | 101.1 Ų | 101.1 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.7 | -33.7 | 172.2 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | Q23 A30 E32 W35 | Q23-V25 PolarHBondContact O-N 3.43Å; V25-A30 PolarHBondContact N-O 3.04Å; V25-E32 HydrophobicContact CG2-CB 3.91Å; V25-E32 HydrophobicContact CG2-CG 4.18Å; V25-W35 HydrophobicContact CB-CD2 4.4Å; V25-W35 HydrophobicContact CB-CG 3.86Å; V25-W35 HydrophobicContact CG1-CD2 4.32Å; V25-W35 HydrophobicContact CG1-CG 4.15Å; V25-W35 HydrophobicContact CG2-CB 4.25Å; V25-W35 HydrophobicContact CG2-CG 4.06Å |
| 26 | I | 74 | Confident | 69.1 | Low | 67 Ų | 67 | 98.1 Ų | 98.1 | 34% | 0.344 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.1 | 164.3 | -57.5 | -166.7 | 0 | 0 | 0 | 108.5 | D24 G28 K29 A30 W35 | D24-I26 PolarHBondContact O-N 3.44Å; I26-G28 PolarHBondContact O-N 3.49Å; I26-G28 VanDerWaalsContact O-N 3.08Å; I26-K29 HydrophobicContact CB-CB 4.11Å; I26-K29 HydrophobicContact CG2-CB 3.74Å; I26-K29 HydrophobicContact CG2-CD 4.09Å; I26-K29 HydrophobicContact CG2-CG 3.99Å; I26-K29 PolarHBondContact O-N 2.92Å; I26-A30 PolarHBondContact O-N 3.16Å; I26-W35 HydrophobicContact CB-CZ2 4.04Å; I26-W35 HydrophobicContact CD1-CH2 3.52Å; I26-W35 HydrophobicContact CD1-CZ2 3.14Å; I26-W35 HydrophobicContact CG1-CH2 4.17Å; I26-W35 HydrophobicContact CG1-CZ2 3.36Å |
| 27 | P | 71.1 | Confident | 71.1 | Confident | 110 Ų | 110 | 97 Ų | 97 | 71% | 0.714 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 117.5 | -179.3 | -29.4 | 34.8 | 0 | 0 | 0 | 112.2 | K29 | P27-K29 VanDerWaalsContact C-N 3.29Å; P27-K29 PolarHBondContact O-N 2.98Å |
| 28 | G | 71.1 | Confident | 73.3 | Confident | 72 Ų | 72 | 95.5 Ų | 95.5 | 74% | 0.742 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 10.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D24 I26 | D24-G28 PolarHBondContact OD2-N 3.1Å; I26-G28 PolarHBondContact O-N 3.49Å; I26-G28 VanDerWaalsContact O-N 3.08Å |
| 29 | K | 75 | Confident | 75.6 | Confident | 167 Ų | 167 | 93.9 Ų | 93.9 | 73% | 0.726 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -39.4 | 175.6 | -67.5 | -160.6 | 176 | -172.3 | 0 | 114.7 | I26 P27 | I26-K29 HydrophobicContact CB-CB 4.11Å; I26-K29 HydrophobicContact CG2-CB 3.74Å; I26-K29 HydrophobicContact CG2-CD 4.09Å; I26-K29 HydrophobicContact CG2-CG 3.99Å; I26-K29 PolarHBondContact O-N 2.92Å; P27-K29 VanDerWaalsContact C-N 3.29Å; P27-K29 PolarHBondContact O-N 2.98Å |
| 30 | A | 74 | Confident | 78.1 | Confident | 11 Ų | 11 | 95.9 Ų | 95.9 | 9% | 0.091 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 134.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | V25 I26 E34 W35 | V25-A30 PolarHBondContact N-O 3.04Å; I26-A30 PolarHBondContact O-N 3.16Å; A30-E34 VanDerWaalsContact CA-OE2 3.31Å; A30-E34 WeakPolarHBondContact CA-OE2 3.47Å; A30-E34 HydrophobicContact CB-CB 4.17Å; A30-E34 HydrophobicContact CB-CG 4.03Å; A30-E34 WeakPolarHBondContact CB-OE2 3.43Å; A30-W35 VanDerWaalsContact CB-CD1 3.49Å; A30-W35 HydrophobicContact CB-CD2 4.35Å; A30-W35 HydrophobicContact CB-CG 4.29Å; A30-W35 HydrophobicContact CB-CZ2 4Å; A30-W35 VanDerWaalsContact O-CD1 3.29Å; A30-W35 PolarHBondContact O-NE1 3.25Å; A30-W35 VanDerWaalsContact O-NE1 3.1Å |
| 31 | S | 85 | Confident | 80.1 | Confident | 32 Ų | 32 | 93.9 Ų | 93.9 | 22% | 0.224 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 154.8 | 174.2 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | S33 E34 W35 | S31-S33 PolarHBondContact O-N 3.02Å; S31-S33 VanDerWaalsContact O-N 3.11Å; S31-E34 WeakPolarHBondContact O-CB 3.49Å; S31-E34 PolarHBondContact O-N 3.48Å; S31-E34 PolarHBondContact OG-N 3.45Å; S31-W35 PolarHBondContact O-N 3.11Å |
| 32 | E | 86.9 | Confident | 82.1 | Confident | 85 Ų | 85 | 92 Ų | 92 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -50.5 | -35 | 175.2 | -177 | 178.4 | -171.8 | 0 | 0 | 113.4 | Q23 V25 W35 N36 | Q23-E32 VanDerWaalsContact O-CB 3.24Å; Q23-E32 WeakPolarHBondContact O-CB 3.29Å; Q23-E32 PolarHBondContact O-N 2.9Å; V25-E32 HydrophobicContact CG2-CB 3.91Å; V25-E32 HydrophobicContact CG2-CG 4.18Å; E32-W35 PolarHBondContact O-N 3.35Å; E32-N36 PolarHBondContact O-N 2.94Å; E32-N36 PolarHBondContact O-ND2 3.4Å; E32-N36 VanDerWaalsContact O-ND2 3.16Å |
| 33 | S | 86.7 | Confident | 83.8 | Confident | 79 Ų | 79 | 92.8 Ų | 92.8 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | 174.3 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | S31 W35 N36 E37 | S31-S33 PolarHBondContact O-N 3.02Å; S31-S33 VanDerWaalsContact O-N 3.11Å; S33-W35 VanDerWaalsContact C-N 3.32Å; S33-W35 PolarHBondContact O-N 2.97Å; S33-N36 PolarHBondContact O-N 3.05Å; S33-E37 WeakPolarHBondContact O-CG 3.39Å; S33-E37 PolarHBondContact O-N 3.28Å |
| 34 | E | 89.5 | Confident | 85.4 | Confident | 103 Ų | 103 | 89 Ų | 89 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 178.5 | -174.8 | 178.1 | -177.6 | 0 | 0 | 111.9 | A30 S31 L38 | A30-E34 VanDerWaalsContact CA-OE2 3.31Å; A30-E34 WeakPolarHBondContact CA-OE2 3.47Å; A30-E34 HydrophobicContact CB-CB 4.17Å; A30-E34 HydrophobicContact CB-CG 4.03Å; A30-E34 WeakPolarHBondContact CB-OE2 3.43Å; S31-E34 WeakPolarHBondContact O-CB 3.49Å; S31-E34 PolarHBondContact O-N 3.48Å; S31-E34 PolarHBondContact OG-N 3.45Å; E34-L38 WeakPolarHBondContact O-CB 3.33Å; E34-L38 PolarHBondContact O-N 3.18Å |
| 35 | W | 90.8 | Very high | 86.6 | Confident | 72 Ų | 72 | 92.7 Ų | 92.7 | 27% | 0.273 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 173 | -77.9 | 97.8 | 0 | 0 | 0 | 113 | V25 I26 A30 S31 E32 S33 L38 I39 | V25-W35 HydrophobicContact CB-CD2 4.4Å; V25-W35 HydrophobicContact CB-CG 3.86Å; V25-W35 HydrophobicContact CG1-CD2 4.32Å; V25-W35 HydrophobicContact CG1-CG 4.15Å; V25-W35 HydrophobicContact CG2-CB 4.25Å; V25-W35 HydrophobicContact CG2-CG 4.06Å; I26-W35 HydrophobicContact CB-CZ2 4.04Å; I26-W35 HydrophobicContact CD1-CH2 3.52Å; I26-W35 HydrophobicContact CD1-CZ2 3.14Å; I26-W35 HydrophobicContact CG1-CH2 4.17Å; I26-W35 HydrophobicContact CG1-CZ2 3.36Å; A30-W35 VanDerWaalsContact CB-CD1 3.49Å; A30-W35 HydrophobicContact CB-CD2 4.35Å; A30-W35 HydrophobicContact CB-CG 4.29Å; A30-W35 HydrophobicContact CB-CZ2 4Å; A30-W35 VanDerWaalsContact O-CD1 3.29Å; A30-W35 PolarHBondContact O-NE1 3.25Å; A30-W35 VanDerWaalsContact O-NE1 3.1Å; S31-W35 PolarHBondContact O-N 3.11Å; E32-W35 PolarHBondContact O-N 3.35Å; S33-W35 VanDerWaalsContact C-N 3.32Å; S33-W35 PolarHBondContact O-N 2.97Å; W35-L38 HydrophobicContact CE3-CD2 4.31Å; W35-L38 HydrophobicContact CZ3-CD2 4.16Å; W35-L38 PolarHBondContact O-N 2.89Å; W35-I39 WeakPolarHBondContact O-CG1 3.42Å; W35-I39 PolarHBondContact O-N 3.3Å; W35-I39 VanDerWaalsContact O-N 3.1Å |
| 36 | N | 90.5 | Very high | 87.8 | Confident | 89 Ų | 89 | 93.1 Ų | 93.1 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 177.1 | -72.4 | -32.6 | 0 | 0 | 0 | 111.6 | E32 S33 I39 E40 | E32-N36 PolarHBondContact O-N 2.94Å; E32-N36 PolarHBondContact O-ND2 3.4Å; E32-N36 VanDerWaalsContact O-ND2 3.16Å; S33-N36 PolarHBondContact O-N 3.05Å; N36-I39 PolarHBondContact O-N 3.37Å; N36-E40 WeakPolarHBondContact O-CB 3.35Å; N36-E40 PolarHBondContact O-N 2.94Å |
| 37 | E | 91.9 | Very high | 88.9 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | 172.6 | -75 | 176.1 | -168.6 | 0 | 0 | 111.4 | S33 I39 E40 D41 | S33-E37 WeakPolarHBondContact O-CG 3.39Å; S33-E37 PolarHBondContact O-N 3.28Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.36Å; E37-E40 PolarHBondContact O-N 3.08Å; E37-D41 PolarHBondContact O-N 3.48Å |
| 38 | L | 91.3 | Very high | 90.2 | Very high | 103 Ų | 103 | 92.1 Ų | 92.1 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 176.2 | -179.1 | 66 | 0 | 0 | 0 | 112.7 | E34 W35 D42 | E34-L38 WeakPolarHBondContact O-CB 3.33Å; E34-L38 PolarHBondContact O-N 3.18Å; W35-L38 HydrophobicContact CE3-CD2 4.31Å; W35-L38 HydrophobicContact CZ3-CD2 4.16Å; W35-L38 PolarHBondContact O-N 2.89Å; L38-D42 PolarHBondContact O-N 3.32Å |
| 39 | I | 93.9 | Very high | 91.5 | Very high | 91 Ų | 91 | 95.3 Ų | 95.3 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 176 | -68.1 | 166.2 | 0 | 0 | 0 | 110.5 | W35 N36 E37 D41 D42 L43 | W35-I39 WeakPolarHBondContact O-CG1 3.42Å; W35-I39 PolarHBondContact O-N 3.3Å; W35-I39 VanDerWaalsContact O-N 3.1Å; N36-I39 PolarHBondContact O-N 3.37Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.36Å; I39-D41 VanDerWaalsContact C-N 3.34Å; I39-D42 PolarHBondContact O-N 2.99Å; I39-L43 HydrophobicContact CG2-CD1 3.94Å; I39-L43 HydrophobicContact CG2-CG 4.34Å; I39-L43 WeakPolarHBondContact O-CB 3.31Å; I39-L43 VanDerWaalsContact O-CG 3.23Å; I39-L43 WeakPolarHBondContact O-CG 3.31Å; I39-L43 PolarHBondContact O-N 3.43Å |
| 40 | E | 95.1 | Very high | 92.6 | Very high | 137 Ų | 137 | 90.2 Ų | 90.2 | 64% | 0.64 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 176.6 | -172.1 | 172.4 | -177.1 | 0 | 0 | 111.4 | N36 E37 L43 A44 | N36-E40 WeakPolarHBondContact O-CB 3.35Å; N36-E40 PolarHBondContact O-N 2.94Å; E37-E40 PolarHBondContact O-N 3.08Å; E40-L43 PolarHBondContact O-N 3.1Å; E40-A44 VanDerWaalsContact O-CB 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.23Å; E40-A44 PolarHBondContact O-N 3.03Å |
| 41 | D | 95.3 | Very high | 93.7 | Very high | 114 Ų | 114 | 94.1 Ų | 94.1 | 61% | 0.61 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 175 | -79.6 | -9.8 | 0 | 0 | 0 | 112.2 | E37 I39 L43 A44 E45 | E37-D41 PolarHBondContact O-N 3.48Å; I39-D41 VanDerWaalsContact C-N 3.34Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 3.02Å; D41-A44 PolarHBondContact O-N 3.34Å; D41-E45 WeakPolarHBondContact O-CB 3.38Å; D41-E45 PolarHBondContact O-N 3.48Å |
| 42 | D | 96 | Very high | 94.3 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 176.2 | -174.6 | 56.5 | 0 | 0 | 0 | 111.6 | L38 I39 E45 K46 | L38-D42 PolarHBondContact O-N 3.32Å; I39-D42 PolarHBondContact O-N 2.99Å; D42-E45 PolarHBondContact O-N 3.4Å; D42-K46 VanDerWaalsContact O-CB 3.27Å; D42-K46 WeakPolarHBondContact O-CB 3.31Å; D42-K46 PolarHBondContact O-N 3.42Å |
| 43 | L | 96.2 | Very high | 94.9 | Very high | 104 Ų | 104 | 96.7 Ų | 96.7 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 174.2 | -72.8 | 174 | 0 | 0 | 0 | 112.1 | I39 E40 D41 K46 T47 | I39-L43 HydrophobicContact CG2-CD1 3.94Å; I39-L43 HydrophobicContact CG2-CG 4.34Å; I39-L43 WeakPolarHBondContact O-CB 3.31Å; I39-L43 VanDerWaalsContact O-CG 3.23Å; I39-L43 WeakPolarHBondContact O-CG 3.31Å; I39-L43 PolarHBondContact O-N 3.43Å; E40-L43 PolarHBondContact O-N 3.1Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 3.02Å; L43-K46 PolarHBondContact O-N 3.5Å; L43-T47 WeakPolarHBondContact O-CB 3.37Å; L43-T47 PolarHBondContact O-N 3.21Å; L43-T47 PolarHBondContact O-OG1 2.76Å |
| 44 | A | 96.4 | Very high | 95.4 | Very high | 50 Ų | 50 | 97.5 Ų | 97.5 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E40 D41 T47 C48 | E40-A44 VanDerWaalsContact O-CB 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.23Å; E40-A44 PolarHBondContact O-N 3.03Å; D41-A44 PolarHBondContact O-N 3.34Å; A44-T47 PolarHBondContact O-N 3Å; A44-C48 PolarHBondContact O-N 3.49Å; A44-C48 PolarHBondContact O-SG 2.73Å |
| 45 | E | 96.7 | Very high | 95.9 | Very high | 143 Ų | 143 | 97.5 Ų | 97.5 | 67% | 0.668 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 174.2 | -177.2 | 176.3 | 168.7 | 0 | 0 | 110.6 | D41 D42 T47 C48 Y49 | D41-E45 WeakPolarHBondContact O-CB 3.38Å; D41-E45 PolarHBondContact O-N 3.48Å; D42-E45 PolarHBondContact O-N 3.4Å; E45-T47 VanDerWaalsContact C-N 3.32Å; E45-T47 PolarHBondContact O-N 2.87Å; E45-C48 PolarHBondContact O-N 2.93Å; E45-Y49 WeakPolarHBondContact O-CB 3.48Å; E45-Y49 PolarHBondContact O-N 3.17Å |
| 46 | K | 96.9 | Very high | 96.2 | Very high | 98 Ų | 98 | 97.9 Ų | 97.9 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 177.9 | -177.4 | 54.3 | 178.3 | 148.4 | 0 | 111.9 | D42 L43 Y49 D50 | D42-K46 VanDerWaalsContact O-CB 3.27Å; D42-K46 WeakPolarHBondContact O-CB 3.31Å; D42-K46 PolarHBondContact O-N 3.42Å; L43-K46 PolarHBondContact O-N 3.5Å; K46-Y49 WeakPolarHBondContact O-CB 3.35Å; K46-Y49 PolarHBondContact O-N 3.37Å; K46-D50 WeakPolarHBondContact CE-OD2 3.38Å; K46-D50 IonicContact NZ-OD1 3.91Å; K46-D50 PolarHBondContact NZ-OD1 3.35Å; K46-D50 IonicContact NZ-OD2 2.73Å; K46-D50 VanDerWaalsContact O-CG 3.32Å; K46-D50 PolarHBondContact O-N 3.05Å |
| 47 | T | 97.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.3 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | L43 A44 E45 Y49 D50 I51 | L43-T47 WeakPolarHBondContact O-CB 3.37Å; L43-T47 PolarHBondContact O-N 3.21Å; L43-T47 PolarHBondContact O-OG1 2.76Å; A44-T47 PolarHBondContact O-N 3Å; E45-T47 VanDerWaalsContact C-N 3.32Å; E45-T47 PolarHBondContact O-N 2.87Å; T47-Y49 VanDerWaalsContact C-N 3.33Å; T47-Y49 PolarHBondContact O-N 3.23Å; T47-D50 PolarHBondContact O-N 2.83Å; T47-I51 HydrophobicContact CG2-CD1 4.05Å; T47-I51 VanDerWaalsContact O-CG1 3.3Å; T47-I51 WeakPolarHBondContact O-CG1 3.39Å; T47-I51 PolarHBondContact O-N 3.15Å |
| 48 | C | 97.5 | Very high | 96.9 | Very high | 77 Ų | 77 | 98.4 Ų | 98.4 | 52% | 0.52 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 175 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | A44 E45 I51 V52 | A44-C48 PolarHBondContact O-N 3.49Å; A44-C48 PolarHBondContact O-SG 2.73Å; E45-C48 PolarHBondContact O-N 2.93Å; C48-I51 PolarHBondContact O-N 3.33Å; C48-V52 VanDerWaalsContact O-CG2 3.32Å; C48-V52 WeakPolarHBondContact O-CG2 3.31Å; C48-V52 PolarHBondContact O-N 3.32Å |
| 49 | Y | 97.9 | Very high | 97.2 | Very high | 138 Ų | 138 | 96.1 Ų | 96.1 | 54% | 0.541 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176.7 | 173.2 | -90.4 | 0 | 0 | 0 | 111.6 | E45 K46 T47 V52 K53 | E45-Y49 WeakPolarHBondContact O-CB 3.48Å; E45-Y49 PolarHBondContact O-N 3.17Å; K46-Y49 WeakPolarHBondContact O-CB 3.35Å; K46-Y49 PolarHBondContact O-N 3.37Å; T47-Y49 VanDerWaalsContact C-N 3.33Å; T47-Y49 PolarHBondContact O-N 3.23Å; Y49-V52 PolarHBondContact O-N 3.22Å; Y49-K53 HydrophobicContact CE1-CB 4.48Å; Y49-K53 HydrophobicContact CE1-CD 4.12Å; Y49-K53 VanDerWaalsContact O-CB 3.26Å; Y49-K53 WeakPolarHBondContact O-CB 3.48Å; Y49-K53 PolarHBondContact O-N 3.46Å |
| 50 | D | 98.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 97 Ų | 97 | 32% | 0.321 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -179.3 | -69.9 | -23.3 | 0 | 0 | 0 | 111 | K46 T47 V52 K53 D54 | K46-D50 WeakPolarHBondContact CE-OD2 3.38Å; K46-D50 IonicContact NZ-OD1 3.91Å; K46-D50 PolarHBondContact NZ-OD1 3.35Å; K46-D50 IonicContact NZ-OD2 2.73Å; K46-D50 VanDerWaalsContact O-CG 3.32Å; K46-D50 PolarHBondContact O-N 3.05Å; T47-D50 PolarHBondContact O-N 2.83Å; D50-V52 PolarHBondContact O-N 3.49Å; D50-K53 PolarHBondContact O-N 2.9Å; D50-D54 WeakPolarHBondContact O-CB 3.46Å; D50-D54 VanDerWaalsContact O-CG 3.27Å; D50-D54 PolarHBondContact O-N 3.18Å |
| 51 | I | 98.2 | Very high | 97.5 | Very high | 94 Ų | 94 | 93.6 Ų | 93.6 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 174.1 | -67 | 165.2 | 0 | 0 | 0 | 111.4 | T47 C48 K53 D54 I55 | T47-I51 HydrophobicContact CG2-CD1 4.05Å; T47-I51 VanDerWaalsContact O-CG1 3.3Å; T47-I51 WeakPolarHBondContact O-CG1 3.39Å; T47-I51 PolarHBondContact O-N 3.15Å; C48-I51 PolarHBondContact O-N 3.33Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.99Å; I51-D54 PolarHBondContact O-N 3.48Å; I51-I55 HydrophobicContact CG2-CD1 3.91Å; I51-I55 VanDerWaalsContact O-CG1 3.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.3Å; I51-I55 PolarHBondContact O-N 3.45Å |
| 52 | V | 98.2 | Very high | 97.6 | Very high | 88 Ų | 88 | 90.6 Ų | 90.6 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 179.6 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | C48 Y49 D50 I55 V56 | C48-V52 VanDerWaalsContact O-CG2 3.32Å; C48-V52 WeakPolarHBondContact O-CG2 3.31Å; C48-V52 PolarHBondContact O-N 3.32Å; Y49-V52 PolarHBondContact O-N 3.22Å; D50-V52 PolarHBondContact O-N 3.49Å; V52-I55 PolarHBondContact O-N 3.17Å; V52-V56 HydrophobicContact CG1-CG2 4.43Å; V52-V56 WeakPolarHBondContact O-CG2 3.47Å; V52-V56 PolarHBondContact O-N 3.12Å |
| 53 | K | 98.3 | Very high | 97.7 | Very high | 83 Ų | 83 | 90.7 Ų | 90.7 | 36% | 0.361 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 176.8 | -178.9 | -171.4 | 165.2 | -61 | 0 | 110.7 | Y49 D50 I51 I55 V56 D57 | Y49-K53 HydrophobicContact CE1-CB 4.48Å; Y49-K53 HydrophobicContact CE1-CD 4.12Å; Y49-K53 VanDerWaalsContact O-CB 3.26Å; Y49-K53 WeakPolarHBondContact O-CB 3.48Å; Y49-K53 PolarHBondContact O-N 3.46Å; D50-K53 PolarHBondContact O-N 2.9Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.99Å; K53-I55 PolarHBondContact O-N 3.47Å; K53-V56 PolarHBondContact O-N 2.97Å; K53-D57 IonicContact NZ-OD2 3.55Å; K53-D57 PolarHBondContact NZ-OD2 3.15Å; K53-D57 WeakPolarHBondContact O-CB 3.27Å; K53-D57 PolarHBondContact O-N 3.41Å |
| 54 | D | 98.2 | Very high | 97.8 | Very high | 95 Ų | 95 | 92 Ų | 92 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | -179.4 | -71.3 | -10.6 | 0 | 0 | 0 | 111.8 | D50 I51 V56 D57 E58 | D50-D54 WeakPolarHBondContact O-CB 3.46Å; D50-D54 VanDerWaalsContact O-CG 3.27Å; D50-D54 PolarHBondContact O-N 3.18Å; I51-D54 PolarHBondContact O-N 3.48Å; D54-V56 PolarHBondContact O-N 2.73Å; D54-D57 PolarHBondContact O-N 3.32Å; D54-E58 VanDerWaalsContact O-CB 3.29Å; D54-E58 WeakPolarHBondContact O-CB 3.44Å; D54-E58 PolarHBondContact O-N 3.41Å |
| 55 | I | 98.2 | Very high | 97.8 | Very high | 104 Ų | 104 | 94.2 Ų | 94.2 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.1 | -67.3 | 166.5 | 0 | 0 | 0 | 111.4 | I51 V52 K53 S59 | I51-I55 HydrophobicContact CG2-CD1 3.91Å; I51-I55 VanDerWaalsContact O-CG1 3.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.3Å; I51-I55 PolarHBondContact O-N 3.45Å; V52-I55 PolarHBondContact O-N 3.17Å; K53-I55 PolarHBondContact O-N 3.47Å; I55-S59 VanDerWaalsContact O-CB 3.23Å; I55-S59 WeakPolarHBondContact O-CB 3.49Å; I55-S59 PolarHBondContact O-N 3.36Å; I55-S59 PolarHBondContact O-OG 3.47Å |
| 56 | V | 98.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 92.2 Ų | 92.2 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -44.9 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | V52 K53 D54 S59 L60 | V52-V56 HydrophobicContact CG1-CG2 4.43Å; V52-V56 WeakPolarHBondContact O-CG2 3.47Å; V52-V56 PolarHBondContact O-N 3.12Å; K53-V56 PolarHBondContact O-N 2.97Å; D54-V56 PolarHBondContact O-N 2.73Å; V56-S59 WeakPolarHBondContact CA-OG 3.32Å; V56-S59 PolarHBondContact O-OG 3.4Å; V56-L60 WeakPolarHBondContact O-CB 3.29Å; V56-L60 PolarHBondContact O-N 3.29Å |
| 57 | D | 98.2 | Very high | 97.9 | Very high | 76 Ų | 76 | 93.7 Ų | 93.7 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 179.8 | -74.4 | -19.3 | 0 | 0 | 0 | 111.1 | K53 D54 S61 | K53-D57 IonicContact NZ-OD2 3.55Å; K53-D57 PolarHBondContact NZ-OD2 3.15Å; K53-D57 WeakPolarHBondContact O-CB 3.27Å; K53-D57 PolarHBondContact O-N 3.41Å; D54-D57 PolarHBondContact O-N 3.32Å; D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.31Å; D57-S61 PolarHBondContact O-N 3.44Å |
| 58 | E | 97.9 | Very high | 97.9 | Very high | 147 Ų | 147 | 93 Ų | 93 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.3 | -46.1 | 177.8 | -173.4 | 174.1 | -165.1 | 0 | 0 | 111.7 | D54 L60 S61 A62 | D54-E58 VanDerWaalsContact O-CB 3.29Å; D54-E58 WeakPolarHBondContact O-CB 3.44Å; D54-E58 PolarHBondContact O-N 3.41Å; E58-L60 PolarHBondContact O-N 2.87Å; E58-S61 PolarHBondContact O-N 2.84Å; E58-A62 WeakPolarHBondContact O-CB 3.16Å; E58-A62 PolarHBondContact O-N 2.92Å |
| 59 | S | 98.3 | Very high | 97.9 | Very high | 55 Ų | 55 | 94.3 Ų | 94.3 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 177.8 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | I55 V56 A62 I63 | I55-S59 VanDerWaalsContact O-CB 3.23Å; I55-S59 WeakPolarHBondContact O-CB 3.49Å; I55-S59 PolarHBondContact O-N 3.36Å; I55-S59 PolarHBondContact O-OG 3.47Å; V56-S59 WeakPolarHBondContact CA-OG 3.32Å; V56-S59 PolarHBondContact O-OG 3.4Å; S59-A62 PolarHBondContact O-N 3.04Å; S59-I63 WeakPolarHBondContact O-CB 3.49Å; S59-I63 WeakPolarHBondContact O-CD1 3.26Å; S59-I63 WeakPolarHBondContact O-CG1 3.4Å; S59-I63 PolarHBondContact O-N 3.18Å |
| 60 | L | 98.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 92.9 Ų | 92.9 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.3 | -41 | 176.1 | -175.7 | 62.5 | 0 | 0 | 0 | 111.5 | V56 E58 I63 Y64 | V56-L60 WeakPolarHBondContact O-CB 3.29Å; V56-L60 PolarHBondContact O-N 3.29Å; E58-L60 PolarHBondContact O-N 2.87Å; L60-I63 PolarHBondContact O-N 3.21Å; L60-Y64 VanDerWaalsContact O-CB 3.29Å; L60-Y64 WeakPolarHBondContact O-CB 3.42Å; L60-Y64 PolarHBondContact O-N 2.83Å |
| 61 | S | 97.8 | Very high | 97.8 | Very high | 67 Ų | 67 | 93.8 Ų | 93.8 | 47% | 0.469 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | D57 E58 Y64 Q65 | D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.31Å; D57-S61 PolarHBondContact O-N 3.44Å; E58-S61 PolarHBondContact O-N 2.84Å; S61-Y64 PolarHBondContact O-N 3.13Å; S61-Q65 WeakPolarHBondContact O-CG 3.23Å; S61-Q65 PolarHBondContact O-N 3.44Å |
| 62 | A | 97.7 | Very high | 97.7 | Very high | 51 Ų | 51 | 94.2 Ų | 94.2 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E58 S59 Y64 Q65 I66 | E58-A62 WeakPolarHBondContact O-CB 3.16Å; E58-A62 PolarHBondContact O-N 2.92Å; S59-A62 PolarHBondContact O-N 3.04Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 3.34Å; A62-Q65 PolarHBondContact O-N 3.46Å; A62-I66 WeakPolarHBondContact O-CG1 3.33Å; A62-I66 PolarHBondContact O-N 2.99Å |
| 63 | I | 97.7 | Very high | 97.5 | Very high | 107 Ų | 107 | 95.9 Ų | 95.9 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.1 | -68.1 | 162.8 | 0 | 0 | 0 | 110.6 | S59 L60 I66 Y67 | S59-I63 WeakPolarHBondContact O-CB 3.49Å; S59-I63 WeakPolarHBondContact O-CD1 3.26Å; S59-I63 WeakPolarHBondContact O-CG1 3.4Å; S59-I63 PolarHBondContact O-N 3.18Å; L60-I63 PolarHBondContact O-N 3.21Å; I63-I66 PolarHBondContact O-N 3.39Å; I63-Y67 WeakPolarHBondContact O-CB 3.41Å; I63-Y67 PolarHBondContact O-N 2.91Å |
| 64 | Y | 97.8 | Very high | 97.5 | Very high | 131 Ų | 131 | 95 Ų | 95 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 177.9 | -175.1 | -113.9 | 0 | 0 | 0 | 112.1 | L60 S61 A62 I66 Y67 L68 | L60-Y64 VanDerWaalsContact O-CB 3.29Å; L60-Y64 WeakPolarHBondContact O-CB 3.42Å; L60-Y64 PolarHBondContact O-N 2.83Å; S61-Y64 PolarHBondContact O-N 3.13Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 3.34Å; Y64-I66 PolarHBondContact O-N 3.23Å; Y64-Y67 HydrophobicContact CD2-CD1 4.41Å; Y64-Y67 HydrophobicContact CE2-CD1 4.4Å; Y64-Y67 WeakPolarHBondContact O-CB 3.44Å; Y64-Y67 PolarHBondContact O-N 3.36Å; Y64-L68 HydrophobicContact CD1-CD1 4.01Å; Y64-L68 HydrophobicContact CD1-CG 4.38Å; Y64-L68 HydrophobicContact CE1-CD1 3.54Å; Y64-L68 HydrophobicContact CE1-CD2 4.45Å; Y64-L68 HydrophobicContact CE1-CG 4.05Å; Y64-L68 HydrophobicContact CE2-CD2 4.31Å; Y64-L68 HydrophobicContact CE2-CG 4.37Å; Y64-L68 WeakPolarHBondContact O-CG 3.22Å; Y64-L68 PolarHBondContact O-N 3.46Å |
| 65 | Q | 97.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 96.1 Ų | 96.1 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 174.6 | -67.3 | -59.8 | -18.4 | 0 | 0 | 112.2 | S61 A62 Y67 L68 N69 | S61-Q65 WeakPolarHBondContact O-CG 3.23Å; S61-Q65 PolarHBondContact O-N 3.44Å; A62-Q65 PolarHBondContact O-N 3.46Å; Q65-Y67 VanDerWaalsContact C-N 3.33Å; Q65-Y67 PolarHBondContact O-N 2.92Å; Q65-L68 PolarHBondContact O-N 3.32Å; Q65-N69 WeakPolarHBondContact O-CB 3.4Å; Q65-N69 PolarHBondContact O-N 3.31Å; Q65-N69 PolarHBondContact O-ND2 2.85Å |
| 66 | I | 97.4 | Very high | 97.5 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.3 | -66.1 | 165.7 | 0 | 0 | 0 | 110.6 | A62 I63 Y64 N69 N70 | A62-I66 WeakPolarHBondContact O-CG1 3.33Å; A62-I66 PolarHBondContact O-N 2.99Å; I63-I66 PolarHBondContact O-N 3.39Å; Y64-I66 PolarHBondContact O-N 3.23Å; I66-N69 PolarHBondContact O-N 3.33Å; I66-N70 WeakPolarHBondContact O-CB 3.27Å; I66-N70 PolarHBondContact O-N 2.73Å; I66-N70 PolarHBondContact O-ND2 3.34Å |
| 67 | Y | 97.8 | Very high | 97.5 | Very high | 128 Ų | 128 | 95.4 Ų | 95.4 | 50% | 0.502 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 175.6 | 171.1 | -97.7 | 0 | 0 | 0 | 111.8 | I63 Y64 Q65 N69 N70 Q71 | I63-Y67 WeakPolarHBondContact O-CB 3.41Å; I63-Y67 PolarHBondContact O-N 2.91Å; Y64-Y67 HydrophobicContact CD2-CD1 4.41Å; Y64-Y67 HydrophobicContact CE2-CD1 4.4Å; Y64-Y67 WeakPolarHBondContact O-CB 3.44Å; Y64-Y67 PolarHBondContact O-N 3.36Å; Q65-Y67 VanDerWaalsContact C-N 3.33Å; Q65-Y67 PolarHBondContact O-N 2.92Å; Y67-N69 PolarHBondContact O-N 3.24Å; Y67-N70 PolarHBondContact O-N 2.85Å; Y67-Q71 HydrophobicContact CD1-CG 4.3Å; Y67-Q71 HydrophobicContact CD2-CG 4.04Å; Y67-Q71 HydrophobicContact CE1-CG 3.87Å; Y67-Q71 HydrophobicContact CE2-CG 3.59Å; Y67-Q71 HydrophobicContact CG-CG 4.38Å; Y67-Q71 VanDerWaalsContact CZ-CG 3.5Å; Y67-Q71 WeakPolarHBondContact O-CB 2.9Å; Y67-Q71 WeakPolarHBondContact O-CG 3.46Å; Y67-Q71 PolarHBondContact O-N 3.23Å |
| 68 | L | 97.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 98 Ų | 98 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 178.1 | -71.1 | -178.2 | 0 | 0 | 0 | 112 | Y64 Q65 N70 Q71 L72 | Y64-L68 HydrophobicContact CD1-CD1 4.01Å; Y64-L68 HydrophobicContact CD1-CG 4.38Å; Y64-L68 HydrophobicContact CE1-CD1 3.54Å; Y64-L68 HydrophobicContact CE1-CD2 4.45Å; Y64-L68 HydrophobicContact CE1-CG 4.05Å; Y64-L68 HydrophobicContact CE2-CD2 4.31Å; Y64-L68 HydrophobicContact CE2-CG 4.37Å; Y64-L68 WeakPolarHBondContact O-CG 3.22Å; Y64-L68 PolarHBondContact O-N 3.46Å; Q65-L68 PolarHBondContact O-N 3.32Å; L68-N70 VanDerWaalsContact C-N 3.3Å; L68-N70 PolarHBondContact O-N 3.48Å; L68-Q71 CarbonylContact O-C 3.59Å; L68-Q71 PolarHBondContact O-N 2.84Å; L68-Q71 VanDerWaalsContact O-N 3.14Å; L68-L72 PolarHBondContact O-N 3.49Å |
| 69 | N | 96.7 | Very high | 97.5 | Very high | 105 Ų | 105 | 95 Ų | 95 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.7 | -42.4 | 176.4 | -74.7 | -32.9 | 0 | 0 | 0 | 111.8 | Q65 I66 Y67 Q71 L72 | Q65-N69 WeakPolarHBondContact O-CB 3.4Å; Q65-N69 PolarHBondContact O-N 3.31Å; Q65-N69 PolarHBondContact O-ND2 2.85Å; I66-N69 PolarHBondContact O-N 3.33Å; Y67-N69 PolarHBondContact O-N 3.24Å; N69-Q71 VanDerWaalsContact C-N 3.33Å; N69-Q71 PolarHBondContact O-N 2.88Å; N69-L72 PolarHBondContact O-N 2.8Å |
| 70 | N | 96.9 | Very high | 97.4 | Very high | 107 Ų | 107 | 94.7 Ų | 94.7 | 57% | 0.572 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.1 | -31 | 177 | -69.7 | -18.1 | 0 | 0 | 0 | 112.7 | I66 Y67 L68 P74 | I66-N70 WeakPolarHBondContact O-CB 3.27Å; I66-N70 PolarHBondContact O-N 2.73Å; I66-N70 PolarHBondContact O-ND2 3.34Å; Y67-N70 PolarHBondContact O-N 2.85Å; L68-N70 VanDerWaalsContact C-N 3.3Å; L68-N70 PolarHBondContact O-N 3.48Å; N70-P74 WeakPolarHBondContact O-CD 3.47Å; N70-P74 WeakPolarHBondContact O-CG 3.43Å |
| 71 | Q | 96.9 | Very high | 97.4 | Very high | 80 Ų | 80 | 92.3 Ų | 92.3 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -84.6 | -18.5 | 178.7 | -70.5 | -57.8 | -38.6 | 0 | 0 | 113.9 | Y67 L68 N69 I73 P74 F75 | Y67-Q71 HydrophobicContact CD1-CG 4.3Å; Y67-Q71 HydrophobicContact CD2-CG 4.04Å; Y67-Q71 HydrophobicContact CE1-CG 3.87Å; Y67-Q71 HydrophobicContact CE2-CG 3.59Å; Y67-Q71 HydrophobicContact CG-CG 4.38Å; Y67-Q71 VanDerWaalsContact CZ-CG 3.5Å; Y67-Q71 WeakPolarHBondContact O-CB 2.9Å; Y67-Q71 WeakPolarHBondContact O-CG 3.46Å; Y67-Q71 PolarHBondContact O-N 3.23Å; L68-Q71 CarbonylContact O-C 3.59Å; L68-Q71 PolarHBondContact O-N 2.84Å; L68-Q71 VanDerWaalsContact O-N 3.14Å; N69-Q71 VanDerWaalsContact C-N 3.33Å; N69-Q71 PolarHBondContact O-N 2.88Å; Q71-I73 PolarHBondContact O-N 3.46Å; Q71-P74 VanDerWaalsContact O-CD 3.26Å; Q71-P74 WeakPolarHBondContact O-CD 3.4Å; Q71-P74 WeakPolarHBondContact O-CG 3.36Å; Q71-F75 WeakPolarHBondContact O-CB 3.19Å; Q71-F75 PolarHBondContact O-N 3Å |
| 72 | L | 96.4 | Very high | 97.4 | Very high | 103 Ų | 103 | 92 Ų | 92 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.7 | -49.5 | -175.4 | -178.8 | 63.7 | 0 | 0 | 0 | 112.1 | L68 N69 T76 | L68-L72 PolarHBondContact O-N 3.49Å; N69-L72 PolarHBondContact O-N 2.8Å; L72-T76 VanDerWaalsContact O-CB 3.24Å; L72-T76 WeakPolarHBondContact O-CB 3.38Å; L72-T76 PolarHBondContact O-N 3.28Å; L72-T76 PolarHBondContact O-OG1 3.18Å |
| 73 | I | 95.4 | Very high | 97.4 | Very high | 123 Ų | 123 | 93.4 Ų | 93.4 | 63% | 0.631 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.6 | -56.2 | -179.9 | -59.2 | 174.7 | 0 | 0 | 0 | 111.8 | Q71 F75 T76 V77 | Q71-I73 PolarHBondContact O-N 3.46Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.07Å; I73-T76 PolarHBondContact O-N 2.79Å; I73-V77 HydrophobicContact CG2-CG2 4.31Å; I73-V77 WeakPolarHBondContact O-CG2 3.42Å; I73-V77 PolarHBondContact O-N 3.01Å |
| 74 | P | 97.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 93.6 Ų | 93.6 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | -178.6 | 23.8 | -34 | 0 | 0 | 0 | 112.4 | N70 Q71 Y78 | N70-P74 WeakPolarHBondContact O-CD 3.47Å; N70-P74 WeakPolarHBondContact O-CG 3.43Å; Q71-P74 VanDerWaalsContact O-CD 3.26Å; Q71-P74 WeakPolarHBondContact O-CD 3.4Å; Q71-P74 WeakPolarHBondContact O-CG 3.36Å; P74-Y78 VanDerWaalsContact O-CB 3.26Å; P74-Y78 WeakPolarHBondContact O-CB 3.09Å; P74-Y78 PolarHBondContact O-N 2.95Å |
| 75 | F | 97.6 | Very high | 97.2 | Very high | 118 Ų | 118 | 92.7 Ų | 92.7 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 173.9 | 178.7 | -99 | 0 | 0 | 0 | 111.7 | Q71 I73 V77 Y78 Q79 | Q71-F75 WeakPolarHBondContact O-CB 3.19Å; Q71-F75 PolarHBondContact O-N 3Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.07Å; F75-V77 PolarHBondContact O-N 3.39Å; F75-Y78 PolarHBondContact O-N 3.4Å; F75-Q79 HydrophobicContact CD1-CG 4.1Å; F75-Q79 HydrophobicContact CD2-CG 4.38Å; F75-Q79 HydrophobicContact CE1-CG 3.67Å; F75-Q79 HydrophobicContact CE2-CG 3.98Å; F75-Q79 HydrophobicContact CG-CG 4.44Å; F75-Q79 HydrophobicContact CZ-CG 3.6Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.43Å |
| 76 | T | 98.1 | Very high | 97 | Very high | 76 Ų | 76 | 94 Ų | 94 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 179.8 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | L72 I73 Y78 Q79 A80 | L72-T76 VanDerWaalsContact O-CB 3.24Å; L72-T76 WeakPolarHBondContact O-CB 3.38Å; L72-T76 PolarHBondContact O-N 3.28Å; L72-T76 PolarHBondContact O-OG1 3.18Å; I73-T76 PolarHBondContact O-N 2.79Å; T76-Y78 VanDerWaalsContact C-N 3.35Å; T76-Q79 PolarHBondContact O-N 3.32Å; T76-A80 VanDerWaalsContact O-CB 3.3Å; T76-A80 WeakPolarHBondContact O-CB 3.06Å; T76-A80 PolarHBondContact O-N 2.9Å |
| 77 | V | 98.1 | Very high | 96.9 | Very high | 91 Ų | 91 | 96.2 Ų | 96.2 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | I73 F75 A80 S81 | I73-V77 HydrophobicContact CG2-CG2 4.31Å; I73-V77 WeakPolarHBondContact O-CG2 3.42Å; I73-V77 PolarHBondContact O-N 3.01Å; F75-V77 PolarHBondContact O-N 3.39Å; V77-A80 PolarHBondContact O-N 2.89Å; V77-S81 WeakPolarHBondContact O-CB 3.46Å; V77-S81 PolarHBondContact O-N 3.01Å; V77-S81 PolarHBondContact O-OG 3.22Å |
| 78 | Y | 97.8 | Very high | 96.7 | Very high | 131 Ų | 131 | 94 Ų | 94 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 175.2 | 176.8 | -106 | 0 | 0 | 0 | 112.1 | P74 F75 T76 S81 L82 | P74-Y78 VanDerWaalsContact O-CB 3.26Å; P74-Y78 WeakPolarHBondContact O-CB 3.09Å; P74-Y78 PolarHBondContact O-N 2.95Å; F75-Y78 PolarHBondContact O-N 3.4Å; T76-Y78 VanDerWaalsContact C-N 3.35Å; Y78-S81 PolarHBondContact O-N 3.38Å; Y78-S81 PolarHBondContact O-OG 2.97Å; Y78-L82 HydrophobicContact CD1-CD1 4.06Å; Y78-L82 HydrophobicContact CE1-CD1 3.46Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.46Å; Y78-L82 HydrophobicContact CE1-CG 4.25Å; Y78-L82 HydrophobicContact CE2-CD1 4.31Å; Y78-L82 HydrophobicContact CE2-CD2 4.44Å; Y78-L82 HydrophobicContact CE2-CG 4.29Å; Y78-L82 WeakPolarHBondContact O-CG 3.4Å; Y78-L82 PolarHBondContact O-N 3.24Å |
| 79 | Q | 98 | Very high | 96.4 | Very high | 84 Ų | 84 | 95.6 Ų | 95.6 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -41 | 176.2 | -69.9 | -61 | -29.3 | 0 | 0 | 112 | F75 T76 S81 L82 C83 | F75-Q79 HydrophobicContact CD1-CG 4.1Å; F75-Q79 HydrophobicContact CD2-CG 4.38Å; F75-Q79 HydrophobicContact CE1-CG 3.67Å; F75-Q79 HydrophobicContact CE2-CG 3.98Å; F75-Q79 HydrophobicContact CG-CG 4.44Å; F75-Q79 HydrophobicContact CZ-CG 3.6Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.43Å; T76-Q79 PolarHBondContact O-N 3.32Å; Q79-S81 VanDerWaalsContact C-N 3.35Å; Q79-S81 PolarHBondContact O-N 2.92Å; Q79-L82 PolarHBondContact O-N 3.48Å; Q79-C83 WeakPolarHBondContact O-CB 3.49Å; Q79-C83 PolarHBondContact O-N 3.05Å |
| 80 | A | 98.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T76 V77 C83 L84 | T76-A80 VanDerWaalsContact O-CB 3.3Å; T76-A80 WeakPolarHBondContact O-CB 3.06Å; T76-A80 PolarHBondContact O-N 2.9Å; V77-A80 PolarHBondContact O-N 2.89Å; A80-C83 PolarHBondContact O-N 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.42Å; A80-L84 WeakPolarHBondContact O-CG 3.47Å; A80-L84 PolarHBondContact O-N 3.42Å |
| 81 | S | 97.8 | Very high | 95.8 | Very high | 58 Ų | 58 | 97.1 Ų | 97.1 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 178.1 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | V77 Y78 Q79 L84 M85 | V77-S81 WeakPolarHBondContact O-CB 3.46Å; V77-S81 PolarHBondContact O-N 3.01Å; V77-S81 PolarHBondContact O-OG 3.22Å; Y78-S81 PolarHBondContact O-N 3.38Å; Y78-S81 PolarHBondContact O-OG 2.97Å; Q79-S81 VanDerWaalsContact C-N 3.35Å; Q79-S81 PolarHBondContact O-N 2.92Å; S81-L84 PolarHBondContact O-N 3.38Å; S81-M85 PolarHBondContact O-N 3.27Å |
| 82 | L | 97.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 100.7 Ų | 100.7 | 31% | 0.314 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 171.8 | -71.9 | -178.7 | 0 | 0 | 0 | 111.9 | Y78 Q79 M85 Q86 | Y78-L82 HydrophobicContact CD1-CD1 4.06Å; Y78-L82 HydrophobicContact CE1-CD1 3.46Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.46Å; Y78-L82 HydrophobicContact CE1-CG 4.25Å; Y78-L82 HydrophobicContact CE2-CD1 4.31Å; Y78-L82 HydrophobicContact CE2-CD2 4.44Å; Y78-L82 HydrophobicContact CE2-CG 4.29Å; Y78-L82 WeakPolarHBondContact O-CG 3.4Å; Y78-L82 PolarHBondContact O-N 3.24Å; Q79-L82 PolarHBondContact O-N 3.48Å; L82-M85 PolarHBondContact O-N 3.03Å; L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.41Å |
| 83 | C | 96.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 101.9 Ų | 101.9 | 55% | 0.554 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 177.5 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | Q79 A80 M85 Q86 Y87 | Q79-C83 WeakPolarHBondContact O-CB 3.49Å; Q79-C83 PolarHBondContact O-N 3.05Å; A80-C83 PolarHBondContact O-N 3.29Å; C83-M85 VanDerWaalsContact C-N 3.33Å; C83-M85 PolarHBondContact O-N 3.41Å; C83-Q86 PolarHBondContact O-N 3.15Å; C83-Y87 PolarHBondContact O-N 3.48Å |
| 84 | L | 96.9 | Very high | 94.1 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 174.4 | -76.1 | 169.6 | 0 | 0 | 0 | 112.1 | A80 S81 Y87 I88 | A80-L84 WeakPolarHBondContact O-CB 3.42Å; A80-L84 WeakPolarHBondContact O-CG 3.47Å; A80-L84 PolarHBondContact O-N 3.42Å; S81-L84 PolarHBondContact O-N 3.38Å; L84-Y87 PolarHBondContact O-N 3.27Å; L84-I88 VanDerWaalsContact O-CG1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 2.92Å |
| 85 | M | 95.3 | Very high | 93.4 | Very high | 111 Ų | 111 | 103.5 Ų | 103.5 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 176.2 | -164 | 71.1 | 67.3 | 0 | 0 | 111.3 | S81 L82 C83 Y87 I88 D89 | S81-M85 PolarHBondContact O-N 3.27Å; L82-M85 PolarHBondContact O-N 3.03Å; C83-M85 VanDerWaalsContact C-N 3.33Å; C83-M85 PolarHBondContact O-N 3.41Å; M85-Y87 VanDerWaalsContact C-N 3.29Å; M85-Y87 PolarHBondContact O-N 3.21Å; M85-I88 PolarHBondContact O-N 3.38Å; M85-D89 PolarHBondContact O-N 3.25Å |
| 86 | Q | 93.8 | Very high | 92.7 | Very high | 125 Ų | 125 | 104.5 Ų | 104.5 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.3 | -40.3 | 176 | -70.6 | 173 | 33.5 | 0 | 0 | 111.8 | L82 C83 D89 L90 | L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.41Å; C83-Q86 PolarHBondContact O-N 3.15Å; Q86-D89 PolarHBondContact O-N 2.92Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.43Å; Q86-L90 PolarHBondContact O-N 3.44Å |
| 87 | Y | 94.2 | Very high | 92.1 | Very high | 148 Ų | 148 | 109.3 Ų | 109.3 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.1 | -42 | 176.5 | -173.9 | -90.7 | 0 | 0 | 0 | 112 | C83 L84 M85 L90 E91 | C83-Y87 PolarHBondContact O-N 3.48Å; L84-Y87 PolarHBondContact O-N 3.27Å; M85-Y87 VanDerWaalsContact C-N 3.29Å; M85-Y87 PolarHBondContact O-N 3.21Å; Y87-L90 PolarHBondContact O-N 2.88Å; Y87-E91 PolarHBondContact O-N 3.48Å |
| 88 | I | 94.2 | Very high | 91.4 | Very high | 81 Ų | 81 | 106.6 Ų | 106.6 | 42% | 0.415 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.1 | -45.3 | 174.1 | -69.5 | 166.5 | 0 | 0 | 0 | 110.1 | L84 M85 L90 E91 F92 | L84-I88 VanDerWaalsContact O-CG1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 2.92Å; M85-I88 PolarHBondContact O-N 3.38Å; I88-L90 PolarHBondContact O-N 3.25Å; I88-E91 PolarHBondContact O-N 3.4Å; I88-F92 HydrophobicContact CG2-CD2 3.75Å; I88-F92 HydrophobicContact CG2-CE2 4.18Å; I88-F92 VanDerWaalsContact O-CD2 3.27Å; I88-F92 WeakPolarHBondContact O-CD2 3.48Å; I88-F92 PolarHBondContact O-N 3.15Å |
| 89 | D | 90.8 | Very high | 90.8 | Very high | 99 Ų | 99 | 105.5 Ų | 105.5 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -33.6 | 177.4 | -70.4 | -23.5 | 0 | 0 | 0 | 112.1 | M85 Q86 F92 M93 | M85-D89 PolarHBondContact O-N 3.25Å; Q86-D89 PolarHBondContact O-N 2.92Å; D89-F92 CarbonylContact O-C 3.49Å; D89-M93 WeakPolarHBondContact O-CA 3.18Å; D89-M93 WeakPolarHBondContact O-CG 3.33Å; D89-M93 PolarHBondContact O-N 2.94Å |
| 90 | L | 90.5 | Very high | 90.1 | Very high | 115 Ų | 115 | 106.3 Ų | 106.3 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.4 | -43.5 | 174.9 | -71.8 | 173.6 | 0 | 0 | 0 | 112.9 | Q86 Y87 I88 F92 M93 | Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.43Å; Q86-L90 PolarHBondContact O-N 3.44Å; Y87-L90 PolarHBondContact O-N 2.88Å; I88-L90 PolarHBondContact O-N 3.25Å; L90-F92 VanDerWaalsContact C-N 3.33Å; L90-M93 HydrophobicContact CD2-SD 3.71Å; L90-M93 VanDerWaalsContact O-CG 3.27Å; L90-M93 WeakPolarHBondContact O-CG 3.47Å; L90-M93 PolarHBondContact O-N 2.97Å |
| 91 | E | 90 | Very high | 89.3 | Confident | 130 Ų | 130 | 109.1 Ų | 109.1 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.3 | -36 | 177.9 | -173.3 | 66.9 | -159.6 | 0 | 0 | 111.5 | Y87 I88 | Y87-E91 PolarHBondContact O-N 3.48Å; I88-E91 PolarHBondContact O-N 3.4Å |
| 92 | F | 87.2 | Confident | 88.6 | Confident | 155 Ų | 155 | 110.1 Ų | 110.1 | 68% | 0.68 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 29.8 | 178.9 | -60.4 | -76.6 | 0 | 0 | 0 | 112.8 | I88 D89 L90 S94 | I88-F92 HydrophobicContact CG2-CD2 3.75Å; I88-F92 HydrophobicContact CG2-CE2 4.18Å; I88-F92 VanDerWaalsContact O-CD2 3.27Å; I88-F92 WeakPolarHBondContact O-CD2 3.48Å; I88-F92 PolarHBondContact O-N 3.15Å; D89-F92 CarbonylContact O-C 3.49Å; L90-F92 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 3.33Å |
| 93 | M | 84.8 | Confident | 87.9 | Confident | 128 Ų | 128 | 114 Ų | 114 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 120.7 | 173.2 | -76.9 | 177.6 | 74.8 | 0 | 0 | 109 | D89 L90 C95 | D89-M93 WeakPolarHBondContact O-CA 3.18Å; D89-M93 WeakPolarHBondContact O-CG 3.33Å; D89-M93 PolarHBondContact O-N 2.94Å; L90-M93 HydrophobicContact CD2-SD 3.71Å; L90-M93 VanDerWaalsContact O-CG 3.27Å; L90-M93 WeakPolarHBondContact O-CG 3.47Å; L90-M93 PolarHBondContact O-N 2.97Å; M93-C95 PolarHBondContact O-N 2.89Å |
| 94 | S | 81.7 | Confident | 87.4 | Confident | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 125.9 | 174.1 | -65.3 | 0 | 0 | 0 | 0 | 107.8 | F92 D96 | F92-S94 PolarHBondContact O-N 3.33Å; S94-D96 PolarHBondContact O-N 3.48Å |
| 95 | C | 81.8 | Confident | 86.7 | Confident | 105 Ų | 105 | 113.8 Ų | 113.8 | 71% | 0.709 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 126.3 | 169.3 | -68.3 | 0 | 0 | 0 | 0 | 107.5 | M93 Q97 | M93-C95 PolarHBondContact O-N 2.89Å; C95-Q97 PolarHBondContact O-N 3.22Å; C95-Q97 PolarHBondContact O-NE2 3.2Å |
| 96 | D | 84.2 | Confident | 86.1 | Confident | 139 Ų | 139 | 113 Ų | 113 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 128.4 | 169.1 | -176.7 | 11.1 | 0 | 0 | 0 | 107.9 | S94 G98 | S94-D96 PolarHBondContact O-N 3.48Å; D96-G98 PolarHBondContact O-N 2.89Å; D96-G98 VanDerWaalsContact O-N 3.15Å; D96-G98 PolarHBondContact OD1-N 3.49Å; D96-G98 VanDerWaalsContact OD1-N 3.12Å |
| 97 | Q | 84.3 | Confident | 85.7 | Confident | 178 Ų | 178 | 115 Ų | 115 | 83% | 0.832 | 61% | 0.608 | S | S | * | * | trans | -69.6 | -7.1 | 178.6 | -62.4 | -57.1 | -65.3 | 0 | 0 | 111.4 | C95 | C95-Q97 PolarHBondContact O-N 3.22Å; C95-Q97 PolarHBondContact O-NE2 3.2Å | ||
| 98 | G | 84.1 | Confident | 85.4 | Confident | 33 Ų | 33 | 114.6 Ų | 114.6 | 34% | 0.34 | 61% | 0.606 | S | S | . | * | trans | 71.4 | 170.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D96 | D96-G98 PolarHBondContact O-N 2.89Å; D96-G98 VanDerWaalsContact O-N 3.15Å; D96-G98 PolarHBondContact OD1-N 3.49Å; D96-G98 VanDerWaalsContact OD1-N 3.12Å | ||
| 99 | E | 84.6 | Confident | 85.1 | Confident | 109 Ų | 109 | 116 Ų | 116 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | trans | -75.5 | 125.1 | 176.7 | -69.3 | -62.9 | 162.7 | 0 | 0 | 110.3 | N101 I102 W108 | E99-N101 PolarHBondContact O-N 3.34Å; E99-I102 HydrophobicContact CB-CG1 4.47Å; E99-I102 WeakPolarHBondContact O-CG1 3.44Å; E99-W108 HydrophobicContact CB-CZ2 4.29Å; E99-W108 HydrophobicContact CG-CZ2 3.51Å | ||
| 100 | P | 83.2 | Confident | 84.9 | Confident | 100 Ų | 100 | 120.5 Ų | 120.5 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 137 | 172.8 | 27.9 | -32.9 | 0 | 0 | 0 | 109.1 | ||
| 101 | N | 82.3 | Confident | 84.9 | Confident | 109 Ų | 109 | 122.2 Ų | 122.2 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.1 | 43.7 | 177.8 | -44.8 | -61.1 | 0 | 0 | 0 | 115.4 | E99 N103 L104 N105 | E99-N101 PolarHBondContact O-N 3.34Å; N101-N103 PolarHBondContact O-N 2.91Å; N101-L104 HydrophobicContact CB-CB 3.97Å; N101-L104 HydrophobicContact CB-CD1 3.85Å; N101-L104 HydrophobicContact CB-CG 4.17Å; N101-L104 PolarHBondContact O-N 3.4Å; N101-N105 PolarHBondContact O-N 3.02Å |
| 102 | I | 83.8 | Confident | 84.9 | Confident | 78 Ų | 78 | 125.1 Ų | 125.1 | 40% | 0.4 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -44.5 | -40.2 | 169.6 | -51.3 | -176.7 | 0 | 0 | 0 | 111.6 | E99 L104 N105 W108 | E99-I102 HydrophobicContact CB-CG1 4.47Å; E99-I102 WeakPolarHBondContact O-CG1 3.44Å; I102-L104 VanDerWaalsContact C-N 3.27Å; I102-L104 PolarHBondContact O-N 2.98Å; I102-N105 PolarHBondContact O-N 3.34Å; I102-W108 HydrophobicContact CB-CB 4.49Å; I102-W108 HydrophobicContact CG2-CB 3.41Å; I102-W108 VanDerWaalsContact CG2-CB 3.41Å; I102-W108 HydrophobicContact CG2-CD2 4.35Å; I102-W108 HydrophobicContact CG2-CG 3.88Å |
| 103 | N | 82.3 | Confident | 85 | Confident | 142 Ų | 142 | 125.5 Ų | 125.5 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -70.4 | -12.9 | 178.9 | -55.6 | -63.4 | 0 | 0 | 0 | 115.3 | N101 F109 | N101-N103 PolarHBondContact O-N 2.91Å; N103-F109 VanDerWaalsContact O-CE1 3.27Å; N103-F109 WeakPolarHBondContact O-CE1 3.36Å; N103-F109 VanDerWaalsContact O-CZ 3.28Å; N103-F109 WeakPolarHBondContact O-CZ 3.08Å |
| 104 | L | 84.7 | Confident | 85.2 | Confident | 136 Ų | 136 | 123.9 Ų | 123.9 | 71% | 0.712 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -102.4 | -15.5 | 176.9 | -69.8 | 173.9 | 0 | 0 | 0 | 112.3 | N101 I102 P106 | N101-L104 HydrophobicContact CB-CB 3.97Å; N101-L104 HydrophobicContact CB-CD1 3.85Å; N101-L104 HydrophobicContact CB-CG 4.17Å; N101-L104 PolarHBondContact O-N 3.4Å; I102-L104 VanDerWaalsContact C-N 3.27Å; I102-L104 PolarHBondContact O-N 2.98Å; L104-P106 WeakPolarHBondContact O-CD 3.38Å |
| 105 | N | 83.3 | Confident | 85.6 | Confident | 52 Ų | 52 | 127.1 Ų | 127.1 | 28% | 0.278 | 67% | 0.668 | S | S | . | * | trans | -96.9 | 110.3 | 177.9 | -173.2 | -2.8 | 0 | 0 | 0 | 109.9 | N101 I102 E107 W108 F109 | N101-N105 PolarHBondContact O-N 3.02Å; I102-N105 PolarHBondContact O-N 3.34Å; N105-E107 PolarHBondContact ND2-OE2 2.85Å; N105-E107 PolarHBondContact O-N 2.83Å; N105-E107 VanDerWaalsContact O-N 3.11Å; N105-E107 WeakPolarHBondContact OD1-CB 3.48Å; N105-E107 PolarHBondContact OD1-N 2.7Å; N105-E107 VanDerWaalsContact OD1-N 3.08Å; N105-W108 PolarHBondContact O-N 3.36Å; N105-F109 WeakPolarHBondContact O-CD1 3.14Å | ||
| 106 | P | 83.3 | Confident | 85.7 | Confident | 95 Ų | 95 | 127.3 Ų | 127.3 | 62% | 0.617 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -57.8 | -23.9 | 178.1 | -21.8 | 33 | 0 | 0 | 0 | 114 | L104 W108 F109 | L104-P106 WeakPolarHBondContact O-CD 3.38Å; P106-W108 PolarHBondContact O-N 3.11Å; P106-F109 HydrophobicContact CB-CD2 4.45Å; P106-F109 WeakPolarHBondContact O-CB 3.37Å; P106-F109 PolarHBondContact O-N 3.5Å |
| 107 | E | 84.8 | Confident | 85.9 | Confident | 167 Ų | 167 | 126.1 Ų | 126.1 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -65.8 | -21.4 | 177.6 | -65.4 | 175.8 | 165.6 | 0 | 0 | 113.2 | N105 | N105-E107 PolarHBondContact ND2-OE2 2.85Å; N105-E107 PolarHBondContact O-N 2.83Å; N105-E107 VanDerWaalsContact O-N 3.11Å; N105-E107 WeakPolarHBondContact OD1-CB 3.48Å; N105-E107 PolarHBondContact OD1-N 2.7Å; N105-E107 VanDerWaalsContact OD1-N 3.08Å |
| 108 | W | 88.7 | Confident | 86 | Confident | 139 Ų | 139 | 129 Ų | 129 | 53% | 0.527 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -99.3 | 3.2 | 176.9 | -70.3 | 93.2 | 0 | 0 | 0 | 113.3 | E99 I102 N105 P106 | E99-W108 HydrophobicContact CB-CZ2 4.29Å; E99-W108 HydrophobicContact CG-CZ2 3.51Å; I102-W108 HydrophobicContact CB-CB 4.49Å; I102-W108 HydrophobicContact CG2-CB 3.41Å; I102-W108 VanDerWaalsContact CG2-CB 3.41Å; I102-W108 HydrophobicContact CG2-CD2 4.35Å; I102-W108 HydrophobicContact CG2-CG 3.88Å; N105-W108 PolarHBondContact O-N 3.36Å; P106-W108 PolarHBondContact O-N 3.11Å |
| 109 | F | 87.1 | Confident | 86 | Confident | 110 Ų | 110 | 132.7 Ų | 132.7 | 48% | 0.482 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -70.7 | 148.4 | 176.3 | -70.4 | 0.8 | 0 | 0 | 0 | 109.9 | N103 N105 P106 D111 | N103-F109 VanDerWaalsContact O-CE1 3.27Å; N103-F109 WeakPolarHBondContact O-CE1 3.36Å; N103-F109 VanDerWaalsContact O-CZ 3.28Å; N103-F109 WeakPolarHBondContact O-CZ 3.08Å; N105-F109 WeakPolarHBondContact O-CD1 3.14Å; P106-F109 HydrophobicContact CB-CD2 4.45Å; P106-F109 WeakPolarHBondContact O-CB 3.37Å; P106-F109 PolarHBondContact O-N 3.5Å; F109-D111 PolarHBondContact O-N 3.39Å |
| 110 | E | 87.1 | Confident | 86.2 | Confident | 194 Ų | 194 | 132.6 Ų | 132.6 | 91% | 0.907 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.6 | 171.9 | -66.1 | -179.4 | -172.2 | 0 | 0 | 108.5 | ||
| 111 | D | 89.3 | Confident | 86.4 | Confident | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 143.5 | 173.1 | -70.6 | -27.7 | 0 | 0 | 0 | 110.1 | F109 L113 | F109-D111 PolarHBondContact O-N 3.39Å; D111-L113 PolarHBondContact O-N 3.47Å |
| 112 | E | 89.5 | Confident | 86.6 | Confident | 190 Ų | 190 | 139 Ų | 139 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.5 | 173.3 | -172.5 | 177.7 | -173.3 | 0 | 0 | 109.3 | A114 | E112-A114 PolarHBondContact O-N 3.23Š|
| 113 | L | 89.7 | Confident | 86.6 | Confident | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 126.8 | 178.2 | -68.2 | 176.2 | 0 | 0 | 0 | 109.7 | D111 E115 | D111-L113 PolarHBondContact O-N 3.47Å; L113-E115 PolarHBondContact O-N 3.44Å |
| 114 | A | 89.9 | Confident | 86.4 | Confident | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 136.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E112 S116 | E112-A114 PolarHBondContact O-N 3.23Å; A114-S116 PolarHBondContact O-N 3.21Å |
| 115 | E | 88.7 | Confident | 86.3 | Confident | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 134.7 | 176.1 | -170.1 | 166.3 | -163.5 | 0 | 0 | 109.8 | L113 S117 | L113-E115 PolarHBondContact O-N 3.44Å; E115-S117 PolarHBondContact O-N 3.18Å; E115-S117 VanDerWaalsContact O-N 3.16Å |
| 116 | S | 85.7 | Confident | 86.2 | Confident | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 123.7 | -179.8 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | A114 | A114-S116 PolarHBondContact O-N 3.21Š|
| 117 | S | 86.6 | Confident | 85.9 | Confident | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 144.7 | 176.5 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | E115 I119 | E115-S117 PolarHBondContact O-N 3.18Å; E115-S117 VanDerWaalsContact O-N 3.16Å; S117-I119 PolarHBondContact O-N 3.47Å |
| 118 | R | 86.7 | Confident | 85.5 | Confident | 238 Ų | 238 | 136.8 Ų | 136.8 | 90% | 0.898 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 136.4 | 172 | -178.9 | 177.7 | 175.6 | 173.3 | -0.1 | 109 | D120 | R118-D120 PolarHBondContact O-N 3.34Å; R118-D120 VanDerWaalsContact O-N 3.09Å |
| 119 | I | 85.7 | Confident | 85 | Confident | 110 Ų | 110 | 138.8 Ų | 138.8 | 56% | 0.564 | 74% | 0.742 | S | S | * | * | trans | -58.5 | 114.7 | 172.5 | -62.5 | 163.2 | 0 | 0 | 0 | 108 | S117 A123 A126 | S117-I119 PolarHBondContact O-N 3.47Å; I119-A123 HydrophobicContact CG2-CB 3.54Å; I119-A126 HydrophobicContact CB-CB 4.45Å; I119-A126 HydrophobicContact CD1-CB 3.67Å; I119-A126 HydrophobicContact CG1-CB 4.06Å; I119-A126 HydrophobicContact CG2-CB 3.52Å | ||
| 120 | D | 88.1 | Confident | 84.3 | Confident | 107 Ų | 107 | 138.6 Ų | 138.6 | 57% | 0.572 | 75% | 0.75 | S | S | * | * | trans | -79.7 | 165.2 | 178.5 | -169 | 16.9 | 0 | 0 | 0 | 111.3 | R118 W122 A123 | R118-D120 PolarHBondContact O-N 3.34Å; R118-D120 VanDerWaalsContact O-N 3.09Å; D120-W122 PolarHBondContact O-N 2.65Å; D120-A123 WeakPolarHBondContact O-CB 3.26Å; D120-A123 PolarHBondContact O-N 3.45Å | ||
| 121 | S | 87.3 | Confident | 83.6 | Confident | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -14.2 | -179.9 | -52.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 122 | W | 85.5 | Confident | 82.5 | Confident | 235 Ų | 235 | 141.8 Ų | 141.8 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -13.4 | 174.7 | -70.2 | 12.9 | 0 | 0 | 0 | 113.7 | D120 Q124 | D120-W122 PolarHBondContact O-N 2.65Å; W122-Q124 PolarHBondContact O-N 3.41Å |
| 123 | A | 85.6 | Confident | 81 | Confident | 49 Ų | 49 | 136.9 Ų | 136.9 | 41% | 0.405 | 74% | 0.736 | S | S | . | * | trans | -84.8 | 56.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I119 D120 G125 A126 | I119-A123 HydrophobicContact CG2-CB 3.54Å; D120-A123 WeakPolarHBondContact O-CB 3.26Å; D120-A123 PolarHBondContact O-N 3.45Å; A123-G125 PolarHBondContact O-N 3.06Å; A123-A126 HydrophobicContact CB-CB 4.42Å; A123-A126 PolarHBondContact O-N 2.96Å; A123-A126 VanDerWaalsContact O-N 3.13Å | ||
| 124 | Q | 76.3 | Confident | 79.2 | Confident | 198 Ų | 198 | 138.7 Ų | 138.7 | 93% | 0.925 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 77.9 | 179.1 | -160 | 164.4 | 7.1 | 0 | 0 | 109.8 | W122 | W122-Q124 PolarHBondContact O-N 3.41Š|
| 125 | G | 82.8 | Confident | 77.5 | Confident | 65 Ų | 65 | 141.8 Ų | 141.8 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.6 | 1.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A123 I127 | A123-G125 PolarHBondContact O-N 3.06Å; G125-I127 PolarHBondContact O-N 2.92Å |
| 126 | A | 81.3 | Confident | 75.8 | Confident | 53 Ų | 53 | 137.5 Ų | 137.5 | 44% | 0.438 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 118.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I119 A123 | I119-A126 HydrophobicContact CB-CB 4.45Å; I119-A126 HydrophobicContact CD1-CB 3.67Å; I119-A126 HydrophobicContact CG1-CB 4.06Å; I119-A126 HydrophobicContact CG2-CB 3.52Å; A123-A126 HydrophobicContact CB-CB 4.42Å; A123-A126 PolarHBondContact O-N 2.96Å; A123-A126 VanDerWaalsContact O-N 3.13Å |
| 127 | I | 76.9 | Confident | 73.9 | Confident | 158 Ų | 158 | 140.4 Ų | 140.4 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 124.9 | 178.4 | -54.6 | 173.3 | 0 | 0 | 0 | 108 | G125 K129 | G125-I127 PolarHBondContact O-N 2.92Å; I127-K129 PolarHBondContact O-N 3.39Å |
| 128 | S | 76.8 | Confident | 71.6 | Confident | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 132.1 | 173 | -56 | 0 | 0 | 0 | 0 | 110.1 | T130 | S128-T130 PolarHBondContact O-N 2.66Š|
| 129 | K | 78.5 | Confident | 69.6 | Low | 181 Ų | 181 | 137.6 Ų | 137.6 | 79% | 0.787 | 73% | 0.733 | S | S | * | * | trans | -65.4 | 103.3 | 174 | -64.8 | 178.4 | -177.3 | 176.1 | 0 | 108.9 | I127 Y131 | I127-K129 PolarHBondContact O-N 3.39Å; K129-Y131 PolarHBondContact O-N 3.36Å | ||
| 130 | T | 71.7 | Confident | 67.4 | Low | 106 Ų | 106 | 142 Ų | 142 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | -78.5 | 114.9 | 167.3 | 47.3 | 0 | 0 | 0 | 0 | 108.7 | S128 Y132 | S128-T130 PolarHBondContact O-N 2.66Å; T130-Y132 PolarHBondContact O-N 2.91Å | ||
| 131 | Y | 73.9 | Confident | 64.8 | Low | 205 Ų | 205 | 142.2 Ų | 142.2 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -73.5 | 119.3 | 167.1 | -61.3 | -86.3 | 0 | 0 | 0 | 108 | K129 A133 | K129-Y131 PolarHBondContact O-N 3.36Å; Y131-A133 PolarHBondContact O-N 3.14Å | ||
| 132 | Y | 65.1 | Low | 62.6 | Low | 208 Ų | 208 | 145.3 Ų | 145.3 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -65.9 | 105.6 | 162.5 | -54.5 | -78.5 | 0 | 0 | 0 | 106.7 | T130 K134 | T130-Y132 PolarHBondContact O-N 2.91Å; Y132-K134 PolarHBondContact O-N 3.4Å; Y132-K134 VanDerWaalsContact O-N 3.14Å | ||
| 133 | A | 57.3 | Low | 60.3 | Low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -58 | 119.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | Y131 I135 | Y131-A133 PolarHBondContact O-N 3.14Å; A133-I135 PolarHBondContact O-N 2.88Å | ||
| 134 | K | 53.6 | Low | 57.8 | Low | 201 Ų | 201 | 148.5 Ų | 148.5 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -53.1 | 114 | 170.7 | -70.3 | -172 | 178.2 | -176 | 0 | 106.6 | Y132 S136 | Y132-K134 PolarHBondContact O-N 3.4Å; Y132-K134 VanDerWaalsContact O-N 3.14Å; K134-S136 VanDerWaalsContact C-N 3.32Å; K134-S136 PolarHBondContact O-N 2.88Å | ||
| 135 | I | 53.8 | Low | 56 | Low | 159 Ų | 159 | 146.9 Ų | 146.9 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | -62.1 | 103.3 | 168.4 | -64.3 | 167.1 | 0 | 0 | 0 | 104.1 | A133 D137 | A133-I135 PolarHBondContact O-N 2.88Å; I135-D137 PolarHBondContact O-N 3.24Å | ||
| 136 | S | 53.2 | Low | 54 | Low | 95 Ų | 95 | 152.3 Ų | 152.3 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -61.3 | 127.3 | 166.9 | 45.4 | 0 | 0 | 0 | 0 | 107.5 | K134 S138 | K134-S136 VanDerWaalsContact C-N 3.32Å; K134-S136 PolarHBondContact O-N 2.88Å; S136-S138 PolarHBondContact O-N 3.48Å | ||
| 137 | D | 44.8 | Very low | 51.9 | Low | 171 Ų | 171 | 156.3 Ų | 156.3 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | trans | -48.1 | 104 | 173.1 | -65.5 | -43.7 | 0 | 0 | 0 | 110.3 | I135 | I135-D137 PolarHBondContact O-N 3.24Š| ||
| 138 | S | 38.3 | Very low | 49.9 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -113.8 | 92.9 | 170.1 | 68.1 | 0 | 0 | 0 | 0 | 108.7 | S136 | S136-S138 PolarHBondContact O-N 3.48Š| ||
| 139 | E | 45 | Very low | 48.1 | Very low | 187 Ų | 187 | 156.5 Ų | 156.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -141.1 | 99.8 | 154.7 | -81.4 | -165.1 | 159.2 | 0 | 0 | 108.2 | ||||
| 140 | K | 39.1 | Very low | 45.9 | Very low | 204 Ų | 204 | 156.9 Ų | 156.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | -154.2 | 139.4 | 109.4 | -68.4 | -153 | 178.7 | 170.6 | 0 | 109.5 | |||||
| 141 | P | 35 | Very low | 44.1 | Very low | 111 Ų | 111 | 159 Ų | 159 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -95.7 | 166.1 | -164.5 | 39 | -36.1 | 0 | 0 | 0 | 113.6 | ||||
| 142 | Q | 39.2 | Very low | 42.3 | Very low | 175 Ų | 175 | 156.8 Ų | 156.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 73.7 | 104.6 | 154.5 | -72.2 | 176.4 | -9.9 | 0 | 0 | 119.3 | ||||
| 143 | K | 38 | Very low | 40.5 | Very low | 212 Ų | 212 | 152.5 Ų | 152.5 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | -159.8 | 134 | 110.7 | -100.9 | 166.9 | -172.8 | -178.6 | 0 | 110.5 | |||||
| 144 | N | 32.5 | Very low | 39.3 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 149.1 | -167.6 | -67.1 | -47.5 | 0 | 0 | 0 | 114.6 | ||||
| 145 | H | 39.8 | Very low | 38.3 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | 157.3 | 103.1 | 126.7 | -75.7 | -26.4 | 0 | 0 | 0 | 108.6 | |||||
| 146 | Q | 40.3 | Very low | 37.2 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | 52.3 | 115.4 | 98.7 | -74.8 | -172.6 | 29.5 | 0 | 0 | 111.1 | |||||
| 147 | V | 36.8 | Very low | 36.5 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | cis | -163 | 155.8 | 43.3 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 148 | L | 36.1 | Very low | 36 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -66.9 | -178.9 | -174.3 | -126.5 | 83.9 | 0 | 0 | 0 | 116.2 | ||||
| 149 | P | 38.1 | Very low | 35.7 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | -128 | -171.8 | -124.6 | 36.2 | -11.6 | 0 | 0 | 0 | 113.2 | |||||
| 150 | K | 31.7 | Very low | 35.2 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 170.6 | 152.7 | 139 | -101 | 169.1 | -178.7 | 178 | 0 | 113.4 | ||||
| 151 | L | 35 | Very low | 35.1 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 87.3 | 101.8 | 161.8 | -58 | 134 | 0 | 0 | 0 | 115 | ||||
| 152 | Q | 34.8 | Very low | 35.1 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | 80.4 | 117.4 | 63.4 | -164.6 | 169 | -14.7 | 0 | 0 | 112.3 | |||||
| 153 | T | 28 | Very low | 35 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | 63.3 | 129.3 | 155.1 | 50 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 154 | S | 32 | Very low | 34.8 | Very low | 79 Ų | 79 | 144 Ų | 144 | 55% | 0.552 | 74% | 0.744 | S | S | * | * | cis | 164 | 170.9 | 40.9 | 34 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 155 | F | 33.3 | Very low | 35 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | 79.5 | 107.1 | 157.2 | -55 | -60 | 0 | 0 | 0 | 117.2 | ||||
| 156 | I | 30.6 | Very low | 34.8 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | 72.5 | 112.3 | 80.5 | -69.4 | -179.5 | 0 | 0 | 0 | 112.4 | |||||
| 157 | H | 37.5 | Very low | 34.6 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | 151.1 | 132.8 | 116.5 | -102.3 | -33.8 | 0 | 0 | 0 | 114 | |||||
| 158 | K | 34.9 | Very low | 34.6 | Very low | 160 Ų | 160 | 143 Ų | 143 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | 64.9 | 150.1 | 136.4 | -63.9 | 168.7 | -176.1 | 179.3 | 0 | 117.4 | ||||
| 159 | N | 32.4 | Very low | 34.6 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | cis | -179.7 | 153.5 | -19.8 | -102.3 | 6 | 0 | 0 | 0 | 102.5 | ||||
| 160 | E | 33.6 | Very low | 34.4 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | 53.5 | 114.5 | 148.1 | -72.4 | 163.9 | 147.2 | 0 | 0 | 119.9 | ||||
| 161 | D | 37.7 | Very low | 34.5 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | 177.4 | 126 | 100.4 | -91.7 | -27.9 | 0 | 0 | 0 | 113.2 | |||||
| 162 | V | 35.6 | Very low | 34.5 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | trans | 40.5 | 118.1 | 130.1 | -170.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 163 | S | 37.1 | Very low | 34.4 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | 177.7 | 155.5 | 105.4 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 164 | E | 32.2 | Very low | 34.5 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -67.2 | 156.4 | -163.8 | -57.2 | 162.5 | 136.2 | 0 | 0 | 114.5 | ||||
| 165 | N | 38.2 | Very low | 34.5 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | -167.5 | 128 | 123 | -90.4 | -40 | 0 | 0 | 0 | 113.3 | |||||
| 166 | K | 34.7 | Very low | 34.5 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -58.7 | 143.3 | 175.6 | -80.8 | 162.5 | 168.8 | 161.9 | 0 | 113.4 | ||||
| 167 | A | 36.1 | Very low | 34.4 | Very low | 106 Ų | 106 | 154.2 Ų | 154.2 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -146.9 | 115.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 168 | I | 36.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 155.9 Ų | 155.9 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -82.2 | 134.8 | -178.3 | -70 | 159.5 | 0 | 0 | 0 | 109.2 | K170 | I168-K170 HydrophobicContact CG2-CG 4.25Š| ||
| 169 | R | 36.2 | Very low | 33.9 | Very low | 239 Ų | 239 | 153 Ų | 153 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -139 | 100.2 | 149.6 | -147.5 | 173.6 | -175.4 | 171.5 | 0.4 | 108.9 | ||||
| 170 | K | 35 | Very low | 33.8 | Very low | 162 Ų | 162 | 156.2 Ų | 156.2 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | trans | -84.2 | 130.3 | 166.9 | -72.9 | -179.3 | 174.9 | -175.6 | 0 | 107.8 | I168 | I168-K170 HydrophobicContact CG2-CG 4.25Š| ||
| 171 | E | 33.6 | Very low | 33.7 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -118.9 | 112.5 | 146.9 | -77.6 | -168.6 | 173.9 | 0 | 0 | 107.8 | ||||
| 172 | H | 33.8 | Very low | 33.4 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | trans | -87.7 | 129.9 | 164.9 | -102.9 | -96.5 | 0 | 0 | 0 | 107.2 | ||||
| 173 | T | 34.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 158.2 Ų | 158.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -139.9 | 99.3 | 144 | 14 | 0 | 0 | 0 | 0 | 108 | ||||
| 174 | T | 28.7 | Very low | 32.8 | Very low | 108 Ų | 108 | 161.7 Ų | 161.7 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | trans | -58.2 | 131.8 | 158.9 | 39.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 175 | D | 31.9 | Very low | 32.6 | Very low | 138 Ų | 138 | 160.2 Ų | 160.2 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | -165.8 | 127 | 120.2 | -108.3 | -25.4 | 0 | 0 | 0 | 114.5 | |||||
| 176 | K | 34.9 | Very low | 32 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | trans | 60.6 | 94.4 | 149.2 | -74.5 | 170.5 | 179.5 | 170.4 | 0 | 120.6 | ||||
| 177 | F | 27.6 | Very low | 31.9 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | trans | -45 | 129.4 | 140 | -74.7 | -97.6 | 0 | 0 | 0 | 112.8 | ||||
| 178 | H | 33.2 | Very low | 31.7 | Very low | 181 Ų | 181 | 156.9 Ų | 156.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -140 | 113.1 | 139.5 | -99.3 | -68.7 | 0 | 0 | 0 | 108.2 | ||||
| 179 | S | 28.5 | Very low | 31.3 | Very low | 100 Ų | 100 | 160.6 Ų | 160.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -80 | 122.5 | 169.7 | 69.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 180 | E | 31.6 | Very low | 31 | Very low | 192 Ų | 192 | 158 Ų | 158 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -110.3 | 116.6 | 163.2 | -78.3 | -170.1 | 160.1 | 0 | 0 | 109.4 | ||||
| 181 | K | 31 | Very low | 30.9 | Very low | 172 Ų | 172 | 160.2 Ų | 160.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -66.9 | 146.9 | -175.7 | -63.1 | 169.4 | 176.8 | 176.2 | 0 | 110.9 | H183 | K181-H183 PolarHBondContact O-N 3.15Š| ||
| 182 | P | 31 | Very low | 30.8 | Very low | 124 Ų | 124 | 156.8 Ų | 156.8 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -69 | 121.3 | 162.6 | 30.5 | -29.2 | 0 | 0 | 0 | 107.9 | Q184 | P182-Q184 PolarHBondContact O-N 3.49Š| ||
| 183 | H | 30.2 | Very low | 30.6 | Very low | 177 Ų | 177 | 159.8 Ų | 159.8 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -64.7 | 102.2 | 174.9 | -99 | 48 | 0 | 0 | 0 | 109.9 | K181 I185 | K181-H183 PolarHBondContact O-N 3.15Å; H183-I185 PolarHBondContact O-N 2.81Å | ||
| 184 | Q | 28.9 | Very low | 30.4 | Very low | 186 Ų | 186 | 162.7 Ų | 162.7 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -73.3 | 98.5 | 166.5 | -172.2 | 175.5 | 34.2 | 0 | 0 | 108.8 | P182 S186 | P182-Q184 PolarHBondContact O-N 3.49Å; Q184-S186 PolarHBondContact O-N 3.27Å; Q184-S186 VanDerWaalsContact O-N 3.11Å | ||
| 185 | I | 28.7 | Very low | 30.3 | Very low | 140 Ų | 140 | 165.7 Ų | 165.7 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | trans | -79.4 | 94.3 | 171 | -61.4 | 174.2 | 0 | 0 | 0 | 108 | H183 I187 | H183-I185 PolarHBondContact O-N 2.81Å; I185-I187 HydrophobicContact CG2-CD1 4.25Å; I185-I187 HydrophobicContact CG2-CG1 3.86Å; I185-I187 PolarHBondContact O-N 3.36Å | ||
| 186 | S | 26.3 | Very low | 30.2 | Very low | 92 Ų | 92 | 167.7 Ų | 167.7 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | trans | -79.5 | 105.2 | 168.9 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | Q184 | Q184-S186 PolarHBondContact O-N 3.27Å; Q184-S186 VanDerWaalsContact O-N 3.11Å | ||
| 187 | I | 31.3 | Very low | 30 | Very low | 148 Ų | 148 | 165.6 Ų | 165.6 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -94.3 | 104 | 170 | -57.3 | -179.2 | 0 | 0 | 0 | 108.6 | I185 K189 | I185-I187 HydrophobicContact CG2-CD1 4.25Å; I185-I187 HydrophobicContact CG2-CG1 3.86Å; I185-I187 PolarHBondContact O-N 3.36Å; I187-K189 PolarHBondContact O-N 3.37Å | ||
| 188 | Q | 31.6 | Very low | 30 | Very low | 154 Ų | 154 | 162.8 Ų | 162.8 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -64.8 | 119.5 | 176.3 | -63.4 | -177.6 | 13.1 | 0 | 0 | 111 | K190 | Q188-K190 PolarHBondContact O-N 3.47Š| ||
| 189 | K | 28.3 | Very low | 29.9 | Very low | 213 Ų | 213 | 162.4 Ų | 162.4 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 106.1 | 170.9 | -68.2 | 178.5 | 179 | 175.8 | 0 | 110 | I187 | I187-K189 PolarHBondContact O-N 3.37Š| ||
| 190 | K | 29.9 | Very low | 29.9 | Very low | 183 Ų | 183 | 165.3 Ų | 165.3 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -115.1 | 112 | 163.1 | -86.5 | -176.9 | 176.2 | 175 | 0 | 110.6 | Q188 | Q188-K190 PolarHBondContact O-N 3.47Š| ||
| 191 | K | 33.6 | Very low | 29.9 | Very low | 209 Ų | 209 | 165.9 Ų | 165.9 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -61 | 144.1 | 169.9 | -75.3 | 175.4 | 174.3 | 174.3 | 0 | 110.6 | ||||
| 192 | P | 31.3 | Very low | 30 | Very low | 108 Ų | 108 | 164.2 Ų | 164.2 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | -149.4 | 138.3 | 119.9 | 27.4 | -5.6 | 0 | 0 | 0 | 113.9 | |||||
| 193 | K | 30 | Very low | 30.2 | Very low | 207 Ų | 207 | 166.2 Ų | 166.2 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | 89.5 | 118.4 | 95.9 | -67.9 | -178.8 | -179.7 | 179.5 | 0 | 114.4 | |||||
| 194 | K | 29.5 | Very low | 30.1 | Very low | 203 Ų | 203 | 164.6 Ų | 164.6 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -44.2 | 141.4 | 176.7 | -60.9 | 169.8 | 176.1 | 178 | 0 | 113.6 | ||||
| 195 | L | 28.3 | Very low | 30.4 | Very low | 172 Ų | 172 | 164.3 Ų | 164.3 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -145.9 | 125 | 148.6 | -101.3 | 149.8 | 0 | 0 | 0 | 109.6 | ||||
| 196 | K | 28.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 164.6 Ų | 164.6 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -76.3 | 174.7 | 174.7 | -68.7 | 172.9 | 170.8 | -178.7 | 0 | 109.7 | ||||
| 197 | N | 31.1 | Very low | 30.9 | Very low | 134 Ų | 134 | 164.6 Ų | 164.6 | 72% | 0.717 | 82% | 0.821 | S | S | * | * | trans | 114 | 136.3 | 163 | -55.8 | -7.5 | 0 | 0 | 0 | 110.6 | ||||
| 198 | N | 28 | Very low | 31 | Very low | 144 Ų | 144 | 165.1 Ų | 165.1 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | cis | -168.6 | 113.8 | -4.4 | -99.8 | -21.6 | 0 | 0 | 0 | 104 | ||||
| 199 | L | 29.9 | Very low | 31 | Very low | 173 Ų | 173 | 163.2 Ų | 163.2 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -134.6 | 46.4 | 175.6 | -109.3 | 155.6 | 0 | 0 | 0 | 109.3 | ||||
| 200 | N | 28.8 | Very low | 31 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -125.3 | 77.1 | 172.7 | -68.9 | 5.1 | 0 | 0 | 0 | 107.5 | ||||
| 201 | K | 31.6 | Very low | 31.3 | Very low | 205 Ų | 205 | 158.5 Ų | 158.5 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -164.6 | 42.8 | 168 | -134.9 | 177.8 | -173.9 | -177.6 | 0 | 115 | ||||
| 202 | V | 33 | Very low | 31.5 | Very low | 137 Ų | 137 | 156.2 Ų | 156.2 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -149.3 | 140.9 | 161 | -168.8 | 0 | 0 | 0 | 0 | 105 | ||
| 203 | I | 35 | Very low | 31.8 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | 92.8 | 61.4 | -176.8 | -39.5 | 151.9 | 0 | 0 | 0 | 113.2 | ||||
| 204 | D | 28.7 | Very low | 32.3 | Very low | 143 Ų | 143 | 155.7 Ų | 155.7 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -119.4 | 151.8 | 143.2 | -91.4 | -35.3 | 0 | 0 | 0 | 106.6 | ||||
| 205 | H | 35.4 | Very low | 32.9 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | 87.6 | 85.8 | -177.3 | -36.6 | -52.8 | 0 | 0 | 0 | 115.7 | ||||
| 206 | T | 34.8 | Very low | 33.5 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | -178.7 | 114.1 | 114.8 | -65.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 207 | S | 31 | Very low | 34.2 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -89.9 | 143.1 | 175.3 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 208 | M | 31.9 | Very low | 34.8 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | 170.7 | 159.3 | 146 | -89.9 | -41.4 | 91.6 | 0 | 0 | 109.5 | ||||
| 209 | P | 32.1 | Very low | 35.5 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | -111.6 | 168.2 | -78.5 | 10.5 | 13.2 | 0 | 0 | 0 | 113.1 | |||||
| 210 | S | 29.2 | Very low | 36.2 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -70.6 | 115.4 | -178.3 | 45.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 211 | E | 36.6 | Very low | 37.5 | Very low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -171.8 | -6.5 | 148.4 | -108.4 | 165.8 | -159.1 | 0 | 0 | 115 | ||
| 212 | Q | 36.5 | Very low | 38.2 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -108 | 6.4 | 177.3 | -84.3 | 179 | -32.8 | 0 | 0 | 115.6 | D214 | Q212-D214 PolarHBondContact O-N 3.15Š|
| 213 | K | 37.8 | Very low | 38.5 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75.2 | -18.9 | -173.1 | -78.7 | -177.6 | 177.5 | 177.4 | 0 | 114.7 | H217 | K213-H217 PolarHBondContact O-N 3.42Å |
| 214 | D | 40.6 | Very low | 38.9 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -86 | -29.8 | -176.9 | -63.5 | -25.1 | 0 | 0 | 0 | 112.8 | Q212 E218 | Q212-D214 PolarHBondContact O-N 3.15Å; D214-E218 PolarHBondContact O-N 3.25Å |
| 215 | S | 41.3 | Very low | 39.6 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -72 | -38.2 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | H217 E218 L219 | S215-H217 VanDerWaalsContact C-N 3.35Å; S215-E218 PolarHBondContact O-N 3.41Å; S215-L219 WeakPolarHBondContact O-CG 3.45Å; S215-L219 PolarHBondContact O-N 3.07Å |
| 216 | I | 41.4 | Very low | 39.8 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 56% | 0.564 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.1 | -31.7 | 178.7 | -59.6 | 179.7 | 0 | 0 | 0 | 110.9 | T220 | I216-T220 WeakPolarHBondContact O-CB 3.33Å; I216-T220 PolarHBondContact O-N 2.86Å; I216-T220 PolarHBondContact O-OG1 3.06Å |
| 217 | H | 43.8 | Very low | 39.8 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 67% | 0.667 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.6 | -29.1 | 178.8 | -131.7 | -39 | 0 | 0 | 0 | 113.1 | K213 S215 K221 | K213-H217 PolarHBondContact O-N 3.42Å; S215-H217 VanDerWaalsContact C-N 3.35Å; H217-K221 WeakPolarHBondContact O-CB 3.24Å; H217-K221 PolarHBondContact O-N 3.25Å |
| 218 | E | 44.6 | Very low | 40.1 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 46% | 0.463 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -79.4 | -42.5 | 178.3 | -161.5 | 64.9 | -154.9 | 0 | 0 | 111.9 | D214 S215 T220 K221 Q222 | D214-E218 PolarHBondContact O-N 3.25Å; S215-E218 PolarHBondContact O-N 3.41Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 PolarHBondContact O-N 3.45Å; E218-K221 WeakPolarHBondContact O-CB 3.33Å; E218-K221 PolarHBondContact O-N 2.9Å; E218-K221 VanDerWaalsContact O-N 3.11Å; E218-Q222 WeakPolarHBondContact O-CG 3.4Å; E218-Q222 PolarHBondContact O-N 2.97Å |
| 219 | L | 41.3 | Very low | 40.4 | Very low | 102 Ų | 102 | 125 Ų | 125 | 53% | 0.534 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.7 | -34.1 | 174.9 | -72.5 | 168.4 | 0 | 0 | 0 | 112.6 | S215 K221 L223 | S215-L219 WeakPolarHBondContact O-CG 3.45Å; S215-L219 PolarHBondContact O-N 3.07Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 3.18Å; L219-L223 PolarHBondContact O-N 2.93Å |
| 220 | T | 45.6 | Very low | 40.5 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 45% | 0.448 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -75 | -18.3 | 176.1 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | I216 E218 | I216-T220 WeakPolarHBondContact O-CB 3.33Å; I216-T220 PolarHBondContact O-N 2.86Å; I216-T220 PolarHBondContact O-OG1 3.06Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 PolarHBondContact O-N 3.45Å |
| 221 | K | 55.7 | Low | 40.7 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -86.3 | -40 | 176.4 | -155.5 | 176.7 | 177.6 | -168.2 | 0 | 111.1 | H217 E218 L219 K224 | H217-K221 WeakPolarHBondContact O-CB 3.24Å; H217-K221 PolarHBondContact O-N 3.25Å; E218-K221 WeakPolarHBondContact O-CB 3.33Å; E218-K221 PolarHBondContact O-N 2.9Å; E218-K221 VanDerWaalsContact O-N 3.11Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 3.18Å; K221-K224 PolarHBondContact O-N 3.47Å |
| 222 | Q | 45.5 | Very low | 40.7 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 54% | 0.537 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.1 | -28.2 | 178 | -66.5 | -177.4 | 21.4 | 0 | 0 | 113.9 | E218 S226 | E218-Q222 WeakPolarHBondContact O-CG 3.4Å; E218-Q222 PolarHBondContact O-N 2.97Å; Q222-S226 PolarHBondContact O-OG 3Å |
| 223 | L | 39.6 | Very low | 40.5 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 64% | 0.644 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.1 | -19.8 | 174.6 | -82.1 | 165.6 | 0 | 0 | 0 | 114 | L219 | L219-L223 PolarHBondContact O-N 2.93Å |
| 224 | K | 42.8 | Very low | 40.3 | Very low | 161 Ų | 161 | 118.8 Ų | 118.8 | 70% | 0.7 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83.6 | -20.9 | 177.3 | -85.8 | 177.3 | 175.2 | 177.4 | 0 | 113.8 | K221 | K221-K224 PolarHBondContact O-N 3.47Å |
| 225 | D | 44 | Very low | 40.1 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 69% | 0.69 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -98.5 | -11.3 | -174.8 | -72.8 | -26.4 | 0 | 0 | 0 | 114.2 | ||
| 226 | S | 39.5 | Very low | 39.7 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -108.7 | -15.2 | -169.1 | 50 | 0 | 0 | 0 | 0 | 117.3 | Q222 | Q222-S226 PolarHBondContact O-OG 3Š|
| 227 | T | 36.1 | Very low | 39.3 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 64% | 0.638 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -144.4 | 13.3 | -164.2 | -25.9 | 0 | 0 | 0 | 0 | 118.2 | ||
| 228 | L | 37.1 | Very low | 38.9 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 59% | 0.586 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -137.3 | 16.2 | -174 | -75.7 | 174.9 | 0 | 0 | 0 | 117.2 | I232 | L228-I232 HydrophobicContact CB-CD1 4.13Å; L228-I232 WeakPolarHBondContact O-CD1 3.13Å; L228-I232 WeakPolarHBondContact O-CG1 3.19Å |
| 229 | K | 36.8 | Very low | 38.3 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 82% | 0.822 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -95.3 | -7.2 | -179.4 | -84.4 | 179.5 | 179 | 171.2 | 0 | 116.5 | ||
| 230 | S | 34.1 | Very low | 37.8 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -104.2 | -10.4 | 178.8 | 69.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 231 | S | 34.5 | Very low | 37.1 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -113.4 | -2.9 | -178 | -64.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 232 | I | 36.6 | Very low | 35.8 | Very low | 105 Ų | 105 | 135 Ų | 135 | 54% | 0.538 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -89.7 | -13.1 | -178.1 | -66.9 | -178.5 | 0 | 0 | 0 | 112.5 | L228 | L228-I232 HydrophobicContact CB-CD1 4.13Å; L228-I232 WeakPolarHBondContact O-CD1 3.13Å; L228-I232 WeakPolarHBondContact O-CG1 3.19Å |
| 233 | Q | 31.7 | Very low | 35.3 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -81.9 | -19.3 | -178.7 | -161.9 | 146.7 | -2.2 | 0 | 0 | 114.1 | ||
| 234 | N | 34.3 | Very low | 35 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -95.6 | -10.1 | -179.4 | -66.2 | -12.6 | 0 | 0 | 0 | 114 | ||
| 235 | V | 35.7 | Very low | 34.6 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -101.6 | -4.1 | 176.6 | -177 | 0 | 0 | 0 | 0 | 111.7 | ||
| 236 | S | 33 | Very low | 34 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 1.3 | -176 | -156.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 237 | M | 32.9 | Very low | 33.7 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -6.6 | 174.4 | -69.3 | -130.1 | -86.4 | 0 | 0 | 114.3 | ||
| 238 | E | 35.1 | Very low | 33.7 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -103 | 1.5 | -175.4 | -129.3 | 174.3 | 176.3 | 0 | 0 | 114.1 | N240 | E238-N240 PolarHBondContact O-N 2.9Å; E238-N240 VanDerWaalsContact O-N 3.13Å |
| 239 | K | 32.4 | Very low | 33.3 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -86.9 | 27.2 | -174.5 | -139.8 | 169.7 | -172.1 | 165.5 | 0 | 114.6 | ||||
| 240 | N | 31.4 | Very low | 33.5 | Very low | 136 Ų | 136 | 145 Ų | 145 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -128.2 | 31.5 | -173.7 | -80.4 | -19.9 | 0 | 0 | 0 | 114 | E238 | E238-N240 PolarHBondContact O-N 2.9Å; E238-N240 VanDerWaalsContact O-N 3.13Å |
| 241 | M | 30.7 | Very low | 33.4 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -144.7 | 13.7 | 175.6 | -86.2 | -67 | 95 | 0 | 0 | 117.4 | ||
| 242 | L | 29 | Very low | 33.2 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -121.7 | 93.4 | -179.1 | -159.9 | 74.1 | 0 | 0 | 0 | 112.4 | ||||
| 243 | V | 34.9 | Very low | 32.8 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | -129.4 | 97.5 | 165.6 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 244 | K | 33.1 | Very low | 33 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | 42.1 | 108.4 | 132.7 | -57.4 | -179.4 | 179.2 | -175 | 0 | 118.5 | ||||
| 245 | N | 32.9 | Very low | 32.8 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -126.3 | 96.5 | 152.6 | -78.2 | -25.5 | 0 | 0 | 0 | 108.8 | ||||
| 246 | D | 32.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 155.3 Ų | 155.3 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -123 | 136.2 | 161.7 | -80.9 | -32.6 | 0 | 0 | 0 | 108.7 | ||||
| 247 | N | 32.9 | Very low | 32.5 | Very low | 147 Ų | 147 | 162.6 Ų | 162.6 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | 89.7 | 93.7 | 159.6 | -48.4 | -32.5 | 0 | 0 | 0 | 118.5 | ||||
| 248 | I | 35.7 | Very low | 32.4 | Very low | 171 Ų | 171 | 163.5 Ų | 163.5 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -137 | 102.1 | 133.5 | -61.3 | -177.4 | 0 | 0 | 0 | 108.9 | ||||
| 249 | S | 29.5 | Very low | 32.1 | Very low | 112 Ų | 112 | 160.8 Ų | 160.8 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -105 | 104.2 | 158.9 | 55.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 250 | K | 40.3 | Very low | 32.3 | Very low | 174 Ų | 174 | 163.6 Ų | 163.6 | 76% | 0.757 | 82% | 0.816 | S | S | * | * | trans | -157.6 | 104.4 | 159.1 | -69.4 | -157.2 | 179.3 | -174.5 | 0 | 107.6 | ||||
| 251 | E | 32.6 | Very low | 32.4 | Very low | 167 Ų | 167 | 166.7 Ų | 166.7 | 78% | 0.78 | 82% | 0.823 | S | S | * | * | 83.8 | 104.4 | 106.1 | -82.7 | 179.1 | 152.4 | 0 | 0 | 113.9 | |||||
| 252 | D | 29.8 | Very low | 32.7 | Very low | 136 Ų | 136 | 164.1 Ų | 164.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | 68.2 | 118.6 | 121.6 | -84.9 | 14.3 | 0 | 0 | 0 | 122.3 | |||||
| 253 | N | 28.4 | Very low | 32.8 | Very low | 136 Ų | 136 | 164.1 Ų | 164.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | 76.4 | 113.1 | 146.4 | -60.6 | -51.5 | 0 | 0 | 0 | 118 | ||||
| 254 | L | 36.6 | Very low | 32.7 | Very low | 162 Ų | 162 | 166.5 Ų | 166.5 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | -178 | 97 | 123.3 | -91.5 | 153.2 | 0 | 0 | 0 | 111.5 | |||||
| 255 | T | 30.1 | Very low | 33 | Very low | 114 Ų | 114 | 166.9 Ų | 166.9 | 70% | 0.699 | 83% | 0.826 | S | S | * | * | 37 | 113.1 | 130 | 55.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 256 | K | 29.7 | Very low | 33.1 | Very low | 211 Ų | 211 | 168.5 Ų | 168.5 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | 32.5 | 101.8 | 132.1 | -70.5 | 178.9 | 177.9 | 174 | 0 | 116.9 | ||||
| 257 | R | 31.8 | Very low | 33.1 | Very low | 240 Ų | 240 | 168.2 Ų | 168.2 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -150.6 | 98.5 | 147.7 | -130.7 | 172.3 | 176.5 | 170.5 | -1.5 | 114.2 | ||||
| 258 | K | 31.9 | Very low | 33.2 | Very low | 196 Ų | 196 | 165.7 Ų | 165.7 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | 22.1 | 114.4 | 146.3 | -68.8 | -179.8 | 175.3 | -179.1 | 0 | 118.4 | ||||
| 259 | S | 28.8 | Very low | 33.3 | Very low | 117 Ų | 117 | 166.7 Ų | 166.7 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -40.2 | 127.1 | 154.8 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 260 | R | 35.3 | Very low | 33.8 | Very low | 242 Ų | 242 | 166.5 Ų | 166.5 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -122.4 | 115.9 | 155.9 | -83.7 | -177 | 168.1 | 176.3 | -4.1 | 107.8 | ||||
| 261 | K | 34.9 | Very low | 33.6 | Very low | 202 Ų | 202 | 165.5 Ų | 165.5 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -68.1 | 140.1 | 174.8 | -63.1 | -179.6 | 176.2 | -173.3 | 0 | 109.8 | ||||
| 262 | P | 36 | Very low | 34 | Very low | 125 Ų | 125 | 163.9 Ų | 163.9 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -76.3 | 135.1 | 165.2 | -2.4 | 20.4 | 0 | 0 | 0 | 109.7 | M264 | P262-M264 PolarHBondContact O-N 2.91Š| ||
| 263 | L | 30.5 | Very low | 34.5 | Very low | 171 Ų | 171 | 165 Ų | 165 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -71.4 | 105.5 | 176.4 | -177.5 | 69.2 | 0 | 0 | 0 | 109.6 | ||||
| 264 | M | 33.3 | Very low | 35.2 | Very low | 179 Ų | 179 | 164.4 Ų | 164.4 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 126.6 | 170.1 | -101.2 | 176 | 74.4 | 0 | 0 | 110 | P262 | P262-M264 PolarHBondContact O-N 2.91Š|
| 265 | K | 40.2 | Very low | 35.4 | Very low | 193 Ų | 193 | 166.1 Ų | 166.1 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72 | 127.6 | 168.5 | -68 | 176.5 | 178.2 | 177.4 | 0 | 108.2 | L267 | K265-L267 PolarHBondContact O-N 3.34Š|
| 266 | Q | 34 | Very low | 35.6 | Very low | 198 Ų | 198 | 170.5 Ų | 170.5 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 120.1 | 172.7 | -87 | 171.8 | -37.5 | 0 | 0 | 110.4 | ||
| 267 | L | 32.7 | Very low | 36.1 | Very low | 139 Ų | 139 | 166.9 Ų | 166.9 | 73% | 0.728 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 139.1 | 162.9 | -129.5 | 103.8 | 0 | 0 | 0 | 108 | K265 | K265-L267 PolarHBondContact O-N 3.34Š|
| 268 | P | 35.1 | Very low | 36.6 | Very low | 95 Ų | 95 | 162.8 Ų | 162.8 | 62% | 0.617 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 137.5 | -175.4 | -18.9 | 30.9 | 0 | 0 | 0 | 112.6 | T270 | P268-T270 PolarHBondContact O-N 2.96Š|
| 269 | E | 38.7 | Very low | 37.2 | Very low | 192 Ų | 192 | 156.2 Ų | 156.2 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -53.6 | 2 | -178.1 | -73.5 | -178.1 | 144.6 | 0 | 0 | 116.8 | ||
| 270 | T | 39.3 | Very low | 37.9 | Very low | 108 Ų | 108 | 154.3 Ų | 154.3 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -91.9 | -2.5 | -171.4 | 54 | 0 | 0 | 0 | 0 | 114.8 | P268 | P268-T270 PolarHBondContact O-N 2.96Š|
| 271 | M | 36.4 | Very low | 38.8 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -99.4 | -3 | 179.7 | -69.5 | -153.4 | 74.2 | 0 | 0 | 115.6 | Q273 | M271-Q273 PolarHBondContact O-N 3.1Š|
| 272 | L | 40.3 | Very low | 40 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 56.2 | 166.7 | -69.1 | 176.6 | 0 | 0 | 0 | 110.5 | N274 | L272-N274 PolarHBondContact O-N 3.4Å; L272-N274 VanDerWaalsContact O-N 3.1Å | ||
| 273 | Q | 41.3 | Very low | 42 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -77.9 | 98.9 | 173.4 | -74 | -174.1 | 3.6 | 0 | 0 | 109.3 | M271 K275 | M271-Q273 PolarHBondContact O-N 3.1Å; Q273-K275 PolarHBondContact O-N 3.22Å | ||
| 274 | N | 42 | Very low | 44.3 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 65% | 0.652 | 70% | 0.695 | S | S | * | * | trans | -29.9 | 95.7 | 163.8 | -62.4 | -47.3 | 0 | 0 | 0 | 112.6 | L272 R276 | L272-N274 PolarHBondContact O-N 3.4Å; L272-N274 VanDerWaalsContact O-N 3.1Å; N274-R276 PolarHBondContact O-N 2.89Å | ||
| 275 | K | 41.3 | Very low | 46.5 | Very low | 199 Ų | 199 | 131 Ų | 131 | 87% | 0.865 | 68% | 0.675 | S | S | * | * | trans | -66 | 104.5 | 171.1 | -79.3 | -172 | 175 | -175.1 | 0 | 108.7 | Q273 I277 | Q273-K275 PolarHBondContact O-N 3.22Å; K275-I277 PolarHBondContact O-N 3.41Å | ||
| 276 | R | 33.7 | Very low | 48.6 | Very low | 206 Ų | 206 | 123.8 Ų | 123.8 | 78% | 0.777 | 65% | 0.646 | S | S | * | * | trans | -70.5 | 115.1 | 169.3 | -109.7 | 178.8 | -172.2 | 161 | 2.5 | 108.2 | N274 | N274-R276 PolarHBondContact O-N 2.89Š| ||
| 277 | I | 41.5 | Very low | 51 | Low | 134 Ų | 134 | 121.7 Ų | 121.7 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | trans | -94.1 | 124.2 | 159.2 | -58.2 | 171.2 | 0 | 0 | 0 | 105.5 | K275 G279 | K275-I277 PolarHBondContact O-N 3.41Å; I277-G279 PolarHBondContact O-N 3.43Å | ||
| 278 | N | 42.4 | Very low | 53.2 | Low | 155 Ų | 155 | 122.7 Ų | 122.7 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -69.5 | 113.7 | -179.8 | -74.8 | 4.4 | 0 | 0 | 0 | 109.4 | ||
| 279 | G | 44.4 | Very low | 55.2 | Low | 57 Ų | 57 | 120.3 Ų | 120.3 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 129.4 | 91.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I277 | I277-G279 PolarHBondContact O-N 3.43Š|
| 280 | S | 42.2 | Very low | 57 | Low | 78 Ų | 78 | 115 Ų | 115 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | S | Bend | trans | 54.6 | 95.5 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 118.5 | P295 L297 | S280-P295 WeakPolarHBondContact O-CB 3.46Å; S280-L297 WeakPolarHBondContact OG-CD2 3.49Å |
| 281 | G | 54.2 | Low | 59 | Low | 56 Ų | 56 | 114.2 Ų | 114.2 | 58% | 0.577 | 60% | 0.604 | S | S | * | * | trans | 91.9 | 146 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P295 | G281-P295 WeakPolarHBondContact O-CG 3.48Š| ||
| 282 | K | 61.4 | Low | 61 | Low | 140 Ų | 140 | 111.9 Ų | 111.9 | 61% | 0.609 | 59% | 0.593 | S | S | * | * | trans | -84.5 | 132.7 | 178.5 | -73.8 | 178.5 | 176.1 | -179.4 | 0 | 110.2 | ||||
| 283 | L | 77.9 | Confident | 62.6 | Low | 61 Ų | 61 | 108.1 Ų | 108.1 | 32% | 0.319 | 58% | 0.578 | S | S | . | * | trans | -65.3 | 141.7 | 161.7 | -60.4 | 172.1 | 0 | 0 | 0 | 108.9 | F285 L291 V294 | L283-F285 HydrophobicContact CB-CE2 3.81Å; L283-F285 HydrophobicContact CB-CZ 4.25Å; L283-F285 HydrophobicContact CD1-CZ 4.38Å; L283-L291 HydrophobicContact CB-CD1 3.96Å; L283-L291 HydrophobicContact CD2-CD1 4.07Å; L283-L291 HydrophobicContact CG-CD1 4.45Å; L283-V294 HydrophobicContact CD2-CB 4.18Å; L283-V294 HydrophobicContact CD2-CG1 3.87Å; L283-V294 HydrophobicContact CD2-CG2 3.9Å | ||
| 284 | V | 77.7 | Confident | 64.2 | Low | 64 Ų | 64 | 105 Ų | 105 | 39% | 0.388 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.6 | 177.4 | -169 | 0 | 0 | 0 | 0 | 108.6 | I292 S293 | V284-I292 VanDerWaalsContact C-CG1 3.44Å; V284-I292 HydrophobicContact CB-CD1 4.14Å; V284-I292 HydrophobicContact CB-CG1 3.81Å; V284-I292 HydrophobicContact CG1-CD1 3.41Å; V284-I292 VanDerWaalsContact CG1-CD1 3.41Å; V284-I292 HydrophobicContact CG1-CG1 3.63Å; V284-I292 WeakPolarHBondContact O-CG1 3.46Å; V284-I292 PolarHBondContact O-N 2.88Å; V284-S293 WeakPolarHBondContact CB-OG 3.33Å; V284-S293 WeakPolarHBondContact CG2-OG 3.48Å; V284-S293 PolarHBondContact N-O 2.93Å; V284-S293 VanDerWaalsContact N-O 3.15Å; V284-S293 PolarHBondContact O-N 2.73Å |
| 285 | F | 79.9 | Confident | 65.5 | Low | 107 Ų | 107 | 100.9 Ų | 100.9 | 47% | 0.469 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151 | 178.5 | -61.4 | -92.8 | 0 | 0 | 0 | 110.6 | L283 N290 L291 | L283-F285 HydrophobicContact CB-CE2 3.81Å; L283-F285 HydrophobicContact CB-CZ 4.25Å; L283-F285 HydrophobicContact CD1-CZ 4.38Å; F285-N290 CarbonylContact C-O 3.5Å; F285-N290 WeakPolarHBondContact CA-O 3.48Å; F285-L291 HydrophobicContact CD1-CB 4.2Å; F285-L291 HydrophobicContact CD1-CD1 4.19Å; F285-L291 HydrophobicContact CE1-CB 4.01Å; F285-L291 HydrophobicContact CE1-CD1 3.73Å; F285-L291 HydrophobicContact CE1-CG 4.47Å; F285-L291 HydrophobicContact CE2-CD1 4.27Å; F285-L291 HydrophobicContact CZ-CD1 3.77Å |
| 286 | D | 84.1 | Confident | 66.5 | Low | 43 Ų | 43 | 99 Ų | 99 | 23% | 0.23 | 54% | 0.542 | C | S | . | . | trans | -79.1 | 177.8 | 166.5 | 68.7 | 13.7 | 0 | 0 | 0 | 111.6 | E288 G289 N290 I292 | D286-E288 PolarHBondContact O-N 3.06Å; D286-E288 WeakPolarHBondContact OD1-CA 3.34Å; D286-E288 PolarHBondContact OD1-N 2.95Å; D286-G289 PolarHBondContact O-N 3.18Å; D286-G289 PolarHBondContact OD1-N 3.13Å; D286-N290 PolarHBondContact N-O 2.94Å; D286-N290 WeakPolarHBondContact OD1-CA 3.35Å; D286-N290 WeakPolarHBondContact OD1-CB 3.3Å; D286-N290 PolarHBondContact OD1-N 3.22Å; D286-N290 PolarHBondContact OD1-ND2 3.44Å; D286-N290 WeakPolarHBondContact OD2-CB 3.17Å; D286-N290 PolarHBondContact OD2-ND2 3.28Å; D286-I292 HydrophobicContact CB-CG2 3.9Å | ||
| 287 | D | 84.8 | Confident | 67.7 | Low | 154 Ų | 154 | 95 Ų | 95 | 82% | 0.824 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -14.5 | 178.6 | 56.3 | -36 | 0 | 0 | 0 | 113.8 | ||
| 288 | E | 78 | Confident | 68.1 | Low | 159 Ų | 159 | 96.6 Ų | 96.6 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -7.1 | 173.2 | -61.8 | -176.1 | 173.6 | 0 | 0 | 112.5 | D286 N290 | D286-E288 PolarHBondContact O-N 3.06Å; D286-E288 WeakPolarHBondContact OD1-CA 3.34Å; D286-E288 PolarHBondContact OD1-N 2.95Å; E288-N290 WeakPolarHBondContact CB-ND2 3.5Å; E288-N290 PolarHBondContact OE2-ND2 3.1Å |
| 289 | G | 78.3 | Confident | 68.5 | Low | 45 Ų | 45 | 95.1 Ų | 95.1 | 46% | 0.464 | 53% | 0.533 | S | S | . | . | S | Bend | trans | 89 | 9.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D286 | D286-G289 PolarHBondContact O-N 3.18Å; D286-G289 PolarHBondContact OD1-N 3.13Å |
| 290 | N | 76 | Confident | 68.2 | Low | 82 Ų | 82 | 98.1 Ų | 98.1 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | trans | -80.6 | 142 | 175.6 | -47.9 | -60 | 0 | 0 | 0 | 110.8 | F285 D286 E288 I292 | F285-N290 CarbonylContact C-O 3.5Å; F285-N290 WeakPolarHBondContact CA-O 3.48Å; D286-N290 PolarHBondContact N-O 2.94Å; D286-N290 WeakPolarHBondContact OD1-CA 3.35Å; D286-N290 WeakPolarHBondContact OD1-CB 3.3Å; D286-N290 PolarHBondContact OD1-N 3.22Å; D286-N290 PolarHBondContact OD1-ND2 3.44Å; D286-N290 WeakPolarHBondContact OD2-CB 3.17Å; D286-N290 PolarHBondContact OD2-ND2 3.28Å; E288-N290 WeakPolarHBondContact CB-ND2 3.5Å; E288-N290 PolarHBondContact OE2-ND2 3.1Å; N290-I292 PolarHBondContact O-N 3.39Å | ||
| 291 | L | 81 | Confident | 68 | Low | 90 Ų | 90 | 101 Ų | 101 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 116.2 | 177.5 | -177.5 | 70 | 0 | 0 | 0 | 110.5 | L283 F285 V294 | L283-L291 HydrophobicContact CB-CD1 3.96Å; L283-L291 HydrophobicContact CD2-CD1 4.07Å; L283-L291 HydrophobicContact CG-CD1 4.45Å; F285-L291 HydrophobicContact CD1-CB 4.2Å; F285-L291 HydrophobicContact CD1-CD1 4.19Å; F285-L291 HydrophobicContact CE1-CB 4.01Å; F285-L291 HydrophobicContact CE1-CD1 3.73Å; F285-L291 HydrophobicContact CE1-CG 4.47Å; F285-L291 HydrophobicContact CE2-CD1 4.27Å; F285-L291 HydrophobicContact CZ-CD1 3.77Å; L291-V294 HydrophobicContact CD1-CG2 4.38Å; L291-V294 HydrophobicContact CD2-CG2 3.58Å; L291-V294 HydrophobicContact CG-CG2 4.16Å |
| 292 | I | 78.2 | Confident | 67 | Low | 103 Ų | 103 | 105.2 Ų | 105.2 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | -22.1 | -178.8 | 54.1 | 164.2 | 0 | 0 | 0 | 113.9 | V284 D286 N290 | V284-I292 VanDerWaalsContact C-CG1 3.44Å; V284-I292 HydrophobicContact CB-CD1 4.14Å; V284-I292 HydrophobicContact CB-CG1 3.81Å; V284-I292 HydrophobicContact CG1-CD1 3.41Å; V284-I292 VanDerWaalsContact CG1-CD1 3.41Å; V284-I292 HydrophobicContact CG1-CG1 3.63Å; V284-I292 WeakPolarHBondContact O-CG1 3.46Å; V284-I292 PolarHBondContact O-N 2.88Å; D286-I292 HydrophobicContact CB-CG2 3.9Å; N290-I292 PolarHBondContact O-N 3.39Å |
| 293 | S | 74.1 | Confident | 65.6 | Low | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -156.5 | 147.9 | 171 | 72 | 0 | 0 | 0 | 0 | 114.4 | V284 | V284-S293 WeakPolarHBondContact CB-OG 3.33Å; V284-S293 WeakPolarHBondContact CG2-OG 3.48Å; V284-S293 PolarHBondContact N-O 2.93Å; V284-S293 VanDerWaalsContact N-O 3.15Å; V284-S293 PolarHBondContact O-N 2.73Å |
| 294 | V | 74.5 | Confident | 63.5 | Low | 96 Ų | 96 | 110.4 Ų | 110.4 | 58% | 0.582 | 58% | 0.584 | S | S | * | * | trans | -121.1 | 131 | 172.8 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | L283 L291 | L283-V294 HydrophobicContact CD2-CB 4.18Å; L283-V294 HydrophobicContact CD2-CG1 3.87Å; L283-V294 HydrophobicContact CD2-CG2 3.9Å; L291-V294 HydrophobicContact CD1-CG2 4.38Å; L291-V294 HydrophobicContact CD2-CG2 3.58Å; L291-V294 HydrophobicContact CG-CG2 4.16Å | ||
| 295 | P | 70.1 | Confident | 61.4 | Low | 36 Ų | 36 | 115.3 Ų | 115.3 | 23% | 0.234 | 60% | 0.603 | C | S | . | * | trans | -60.1 | 138.5 | 175.2 | -14.1 | 22.8 | 0 | 0 | 0 | 111.9 | S280 G281 L297 | S280-P295 WeakPolarHBondContact O-CB 3.46Å; G281-P295 WeakPolarHBondContact O-CG 3.48Å; P295-L297 PolarHBondContact O-N 3.44Å | ||
| 296 | K | 63 | Low | 59.1 | Low | 159 Ų | 159 | 117.3 Ų | 117.3 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | trans | -72.1 | 113.7 | 173.3 | -169.5 | 173.6 | -179.5 | -177.5 | 0 | 109.4 | Y298 | K296-Y298 HydrophobicContact CD-CE1 4.33Š| ||
| 297 | L | 57.3 | Low | 56.7 | Low | 123 Ų | 123 | 124.2 Ų | 124.2 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 126.8 | 173.1 | -55.7 | 179.1 | 0 | 0 | 0 | 109 | S280 P295 | S280-L297 WeakPolarHBondContact OG-CD2 3.49Å; P295-L297 PolarHBondContact O-N 3.44Å |
| 298 | Y | 50.2 | Low | 54.1 | Low | 166 Ų | 166 | 121.2 Ų | 121.2 | 65% | 0.651 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 138.2 | 167.6 | -65.2 | -80.1 | 0 | 0 | 0 | 108.8 | K296 V300 | K296-Y298 HydrophobicContact CD-CE1 4.33Å; Y298-V300 PolarHBondContact O-N 2.85Å |
| 299 | P | 50.3 | Low | 52 | Low | 125 Ų | 125 | 123 Ų | 123 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 122.8 | 174.8 | 25 | -31 | 0 | 0 | 0 | 109.5 | N301 | P299-N301 PolarHBondContact O-N 3.41Š|
| 300 | V | 39.1 | Very low | 49.9 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | -74.7 | 113.5 | 176.1 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | Y298 N302 | Y298-V300 PolarHBondContact O-N 2.85Å; V300-N302 WeakPolarHBondContact CG1-OD1 3.2Å; V300-N302 PolarHBondContact O-N 3.48Å | ||
| 301 | N | 38.1 | Very low | 47.8 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -85.2 | 93.9 | 173.2 | -159.7 | 11.5 | 0 | 0 | 0 | 108.6 | P299 N303 | P299-N301 PolarHBondContact O-N 3.41Å; N301-N303 PolarHBondContact O-N 3.36Å; N301-N303 VanDerWaalsContact O-N 3.13Å | ||
| 302 | N | 32.8 | Very low | 45.5 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | -83.7 | 81 | 175.2 | -77.7 | -15.5 | 0 | 0 | 0 | 109.8 | V300 | V300-N302 WeakPolarHBondContact CG1-OD1 3.2Å; V300-N302 PolarHBondContact O-N 3.48Å | ||
| 303 | N | 33 | Very low | 43.5 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | trans | -126.3 | 128.5 | 165.7 | -88.4 | -28.8 | 0 | 0 | 0 | 109.2 | N301 | N301-N303 PolarHBondContact O-N 3.36Å; N301-N303 VanDerWaalsContact O-N 3.13Å | ||
| 304 | K | 32.1 | Very low | 41.5 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | trans | 79.2 | 108.3 | 167.4 | -64 | 177.1 | 178.3 | 179.6 | 0 | 114.5 | ||||
| 305 | Q | 34.2 | Very low | 39.7 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | 65.3 | 107.9 | 92.9 | -72.9 | -172.4 | -33.2 | 0 | 0 | 110.6 | |||||
| 306 | D | 31.6 | Very low | 37.9 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 25.7 | 106.6 | 137.8 | -53.4 | -31.7 | 0 | 0 | 0 | 115.4 | ||||
| 307 | E | 33.9 | Very low | 36.4 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | 174.9 | 121.7 | 117.5 | -92.4 | 173.1 | -171.5 | 0 | 0 | 109.4 | |||||
| 308 | S | 30.4 | Very low | 35.2 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -47.3 | 136.8 | 155.3 | 48.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 309 | F | 33.1 | Very low | 34.3 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | 178.9 | 157.2 | 125.2 | -90.1 | -65.8 | 0 | 0 | 0 | 110 | |||||
| 310 | T | 34.3 | Very low | 33.5 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -82.7 | 153.8 | -159.5 | 43.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 311 | T | 33 | Very low | 33.2 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | 68.1 | 125 | 139.5 | 53.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 312 | D | 32.2 | Very low | 33.1 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | 100.4 | 124.6 | 129.5 | -70.9 | -5.4 | 0 | 0 | 0 | 120.9 | |||||
| 313 | S | 36.4 | Very low | 33.1 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 85.9 | 102.6 | 140.3 | -52.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 314 | H | 32.8 | Very low | 33.1 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | 17.9 | 121.1 | 132.4 | -63.6 | -70.2 | 0 | 0 | 0 | 119.5 | ||||
| 315 | S | 36.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | -164.8 | 140.6 | 124.3 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 316 | N | 32.4 | Very low | 33.3 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -52.9 | 142.7 | -177.1 | -57.1 | -48.7 | 0 | 0 | 0 | 114.2 | ||||
| 317 | G | 30.9 | Very low | 33.6 | Very low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -164.8 | 114.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 318 | T | 31.3 | Very low | 33.6 | Very low | 130 Ų | 130 | 135 Ų | 135 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -28 | 140.9 | 164.1 | -17.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 319 | D | 31.2 | Very low | 33.7 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 163.9 | 128.2 | 130 | -81 | -9.1 | 0 | 0 | 0 | 114.2 | ||||
| 320 | N | 34.6 | Very low | 33.5 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 81.1 | 102.8 | 139.1 | -55.5 | -20.2 | 0 | 0 | 0 | 120.8 | I322 | N320-I322 PolarHBondContact O-N 3.02Š| ||
| 321 | N | 31.3 | Very low | 33.2 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -51.9 | 119.2 | 146.6 | -71.4 | -34.8 | 0 | 0 | 0 | 111.2 | ||||
| 322 | I | 36.1 | Very low | 32.9 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -145.5 | 106.5 | 154.8 | -61.1 | -173.9 | 0 | 0 | 0 | 109.7 | N320 | N320-I322 PolarHBondContact O-N 3.02Š| ||
| 323 | L | 33.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 61.8 | 93 | 134.7 | -143.5 | 67.9 | 0 | 0 | 0 | 119.5 | N325 | L323-N325 WeakPolarHBondContact CD1-OD1 3.4Å; L323-N325 HydrophobicContact CG-CB 4.39Å | ||
| 324 | G | 32.8 | Very low | 32.5 | Very low | 83 Ų | 83 | 150.2 Ų | 150.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -98.3 | 72.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 325 | N | 36.3 | Very low | 32.4 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 117.9 | 174.3 | -74.9 | -1.9 | 0 | 0 | 0 | 110.3 | L323 I327 | L323-N325 WeakPolarHBondContact CD1-OD1 3.4Å; L323-N325 HydrophobicContact CG-CB 4.39Å; N325-I327 PolarHBondContact O-N 2.9Å |
| 326 | K | 34.6 | Very low | 32.1 | Very low | 207 Ų | 207 | 148.2 Ų | 148.2 | 90% | 0.9 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 119.3 | 168.5 | -79.3 | -176 | 174.5 | -168.8 | 0 | 109.5 | ||
| 327 | I | 37.6 | Very low | 32.1 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 117.6 | 165.4 | -59 | 168.2 | 0 | 0 | 0 | 107.5 | N325 I329 | N325-I327 PolarHBondContact O-N 2.9Å; I327-I329 PolarHBondContact O-N 3.35Å |
| 328 | P | 34.5 | Very low | 32.2 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 117.7 | 172.8 | 28.2 | -29.5 | 0 | 0 | 0 | 109.7 | ||
| 329 | I | 32.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 117.7 | 172.1 | -60.7 | 172.6 | 0 | 0 | 0 | 108 | I327 W331 | I327-I329 PolarHBondContact O-N 3.35Å; I329-W331 HydrophobicContact CG2-CD2 4.45Å; I329-W331 HydrophobicContact CG2-CZ2 4.23Å |
| 330 | Q | 27.5 | Very low | 32.1 | Very low | 192 Ų | 192 | 151.9 Ų | 151.9 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 116.1 | 174.5 | -155.7 | 178 | 2 | 0 | 0 | 108.6 | ||
| 331 | W | 28.8 | Very low | 32 | Very low | 221 Ų | 221 | 150.2 Ų | 150.2 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 140.4 | 174.5 | -58.8 | 95.2 | 0 | 0 | 0 | 110.2 | I329 | I329-W331 HydrophobicContact CG2-CD2 4.45Å; I329-W331 HydrophobicContact CG2-CZ2 4.23Å |
| 332 | R | 26.7 | Very low | 32.1 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | -128.2 | 122 | 166.5 | -165.9 | -171 | -73 | -159.9 | 0.2 | 108.1 | ||||
| 333 | F | 27.4 | Very low | 32.1 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -76.5 | 123.2 | 170 | -70.3 | -84.7 | 0 | 0 | 0 | 108.8 | ||||
| 334 | V | 33.1 | Very low | 32.2 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | trans | -105.4 | 102 | 167.7 | -179 | 0 | 0 | 0 | 0 | 106.5 | E336 | V334-E336 HydrophobicContact CG1-CG 4.43Å; V334-E336 PolarHBondContact O-N 3.43Å | ||
| 335 | S | 30.7 | Very low | 32.3 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -84.2 | 101.4 | 169.9 | -59.9 | 0 | 0 | 0 | 0 | 108.3 | S337 | S335-S337 PolarHBondContact O-N 2.93Š| ||
| 336 | E | 30.9 | Very low | 32.2 | Very low | 159 Ų | 159 | 152.1 Ų | 152.1 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -76.9 | 101.6 | 164.7 | -87.3 | 161.5 | 168.5 | 0 | 0 | 108.7 | V334 Y338 | V334-E336 HydrophobicContact CG1-CG 4.43Å; V334-E336 PolarHBondContact O-N 3.43Å; E336-Y338 PolarHBondContact O-N 2.82Å | ||
| 337 | S | 32.4 | Very low | 32.2 | Very low | 109 Ų | 109 | 152.7 Ų | 152.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -70.3 | 105 | 167.8 | 26.8 | 0 | 0 | 0 | 0 | 109.1 | S335 S339 | S335-S337 PolarHBondContact O-N 2.93Å; S337-S339 VanDerWaalsContact C-N 3.35Å; S337-S339 PolarHBondContact O-N 2.88Å | ||
| 338 | Y | 33 | Very low | 31.8 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | trans | -63.5 | 94.4 | 163 | -78.7 | -92.1 | 0 | 0 | 0 | 109 | E336 N340 | E336-Y338 PolarHBondContact O-N 2.82Å; Y338-N340 PolarHBondContact O-N 2.96Å | ||
| 339 | S | 31.9 | Very low | 31.8 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -83.1 | 98.6 | 163.1 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | S337 S341 | S337-S339 VanDerWaalsContact C-N 3.35Å; S337-S339 PolarHBondContact O-N 2.88Å; S339-S341 PolarHBondContact O-N 3.18Å | ||
| 340 | N | 28.2 | Very low | 31.7 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 95.3 | 162.7 | -79 | -20 | 0 | 0 | 0 | 108.5 | Y338 | Y338-N340 PolarHBondContact O-N 2.96Š| ||
| 341 | S | 31.5 | Very low | 32 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -127 | 89.6 | 165.5 | 170.4 | 0 | 0 | 0 | 0 | 108.8 | S339 T343 | S339-S341 PolarHBondContact O-N 3.18Å; S341-T343 PolarHBondContact O-N 3.01Å | ||
| 342 | T | 33.2 | Very low | 32 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | -62.4 | 107.5 | 163.3 | -54.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 343 | T | 37.8 | Very low | 32.3 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | 179.9 | 112.3 | 138.9 | 35.4 | 0 | 0 | 0 | 0 | 110.4 | S341 | S341-T343 PolarHBondContact O-N 3.01Š| ||
| 344 | N | 35.6 | Very low | 32.6 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 55 | 119.6 | 139.8 | -61.9 | -17 | 0 | 0 | 0 | 120.5 | ||||
| 345 | N | 34 | Very low | 32.5 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 100.5 | 90.5 | 143.6 | -58.6 | -16 | 0 | 0 | 0 | 117.5 | ||||
| 346 | Q | 35.6 | Very low | 32.3 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | 74.6 | 79 | 108.9 | -160.8 | 175.7 | 40.1 | 0 | 0 | 115.7 | |||||
| 347 | F | 34.3 | Very low | 32.2 | Very low | 218 Ų | 218 | 143.8 Ų | 143.8 | 96% | 0.956 | 78% | 0.778 | S | S | * | * | trans | -156.1 | 111.5 | 135.8 | -93.9 | -71.2 | 0 | 0 | 0 | 108.8 | ||||
| 348 | G | 28.8 | Very low | 32 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -84.6 | 141.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 349 | I | 33.8 | Very low | 31.6 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -124.1 | 108.6 | 149.2 | -61 | -179.5 | 0 | 0 | 0 | 106.4 | ||||
| 350 | R | 30.6 | Very low | 31.4 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | trans | -87.9 | 117.3 | 178.4 | -179.7 | -174.7 | -176.9 | -161.5 | 7.5 | 107.8 | N352 | R350-N352 PolarHBondContact NE-OD1 3.37Š| ||
| 351 | M | 33.1 | Very low | 31.3 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -119.4 | 107.4 | 160.3 | -74.5 | -61.3 | -151.9 | 0 | 0 | 108.7 | ||||
| 352 | N | 30.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -77 | 129.5 | 172.1 | -50.5 | -53.1 | 0 | 0 | 0 | 108.1 | R350 | R350-N352 PolarHBondContact NE-OD1 3.37Š| ||
| 353 | S | 33.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -149.3 | 139.7 | 145.8 | 90.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 354 | K | 31.9 | Very low | 30.8 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -63.5 | 126.6 | -160.8 | -71.4 | 162.4 | 171.2 | 172.7 | 0 | 113.1 | I356 | K354-I356 HydrophobicContact CB-CG1 4.22Å; K354-I356 PolarHBondContact O-N 3.46Å | ||
| 355 | V | 31 | Very low | 30.7 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -76 | 102.5 | 154.1 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | T357 | V355-T357 PolarHBondContact O-N 3.36Š| ||
| 356 | I | 28.2 | Very low | 30.6 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -87.5 | 101.1 | 165.3 | -64.8 | 176.3 | 0 | 0 | 0 | 106.4 | K354 A358 | K354-I356 HydrophobicContact CB-CG1 4.22Å; K354-I356 PolarHBondContact O-N 3.46Å; I356-A358 PolarHBondContact O-N 2.98Å; I356-A358 VanDerWaalsContact O-N 3.15Å | ||
| 357 | T | 27.4 | Very low | 30.6 | Very low | 115 Ų | 115 | 142 Ų | 142 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -70.7 | 97.6 | 164.2 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | V355 R359 | V355-T357 PolarHBondContact O-N 3.36Å; T357-R359 PolarHBondContact O-N 3.34Å | ||
| 358 | A | 27.7 | Very low | 30.5 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -86 | 98.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | I356 S360 | I356-A358 PolarHBondContact O-N 2.98Å; I356-A358 VanDerWaalsContact O-N 3.15Å; A358-S360 PolarHBondContact O-N 2.92Å | ||
| 359 | R | 25.6 | Very low | 30.7 | Very low | 238 Ų | 238 | 146.8 Ų | 146.8 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -69.9 | 112.6 | 158.6 | -87.4 | 177.9 | 156.1 | -177.2 | -5.6 | 107.7 | T357 | T357-R359 PolarHBondContact O-N 3.34Š| ||
| 360 | S | 27.7 | Very low | 30.6 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -109.2 | 100.8 | 159.2 | 59.8 | 0 | 0 | 0 | 0 | 109.2 | A358 | A358-S360 PolarHBondContact O-N 2.92Š| ||
| 361 | S | 26.4 | Very low | 30.8 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -83.5 | 108.1 | 161.1 | 45.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 362 | I | 31.4 | Very low | 30.7 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -137.2 | 102.1 | 165.4 | -63.4 | -176.7 | 0 | 0 | 0 | 109.4 | ||||
| 363 | S | 33.1 | Very low | 30.8 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | 31.6 | 122.1 | 144.2 | 61.2 | 0 | 0 | 0 | 0 | 120.6 | S365 | S363-S365 PolarHBondContact O-N 3.27Š| ||
| 364 | N | 27 | Very low | 30.5 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -39.3 | 117.9 | 146.1 | -73.7 | -19 | 0 | 0 | 0 | 111.2 | ||||
| 365 | S | 33.9 | Very low | 30.4 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -132.5 | 124.5 | 149 | 64.7 | 0 | 0 | 0 | 0 | 108.1 | S363 N367 | S363-S365 PolarHBondContact O-N 3.27Å; S365-N367 PolarHBondContact O-N 3.23Å | ||
| 366 | S | 31.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -54.7 | 121 | 179.2 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 367 | N | 35.1 | Very low | 30.5 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -134.4 | 114.4 | 151.1 | -90.1 | -34.6 | 0 | 0 | 0 | 109.3 | S365 M369 | S365-N367 PolarHBondContact O-N 3.23Å; N367-M369 PolarHBondContact O-N 3.13Å; N367-M369 VanDerWaalsContact O-N 3.15Å | ||
| 368 | K | 32.6 | Very low | 30.9 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -55.1 | 109.4 | 172.2 | -86.4 | 168.2 | 167.7 | 168.4 | 0 | 109.3 | ||||
| 369 | M | 34.1 | Very low | 31.3 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -126.1 | 126.8 | 146.1 | -83.3 | -166.3 | 86.3 | 0 | 0 | 108.5 | N367 T371 | N367-M369 PolarHBondContact O-N 3.13Å; N367-M369 VanDerWaalsContact O-N 3.15Å; M369-T371 PolarHBondContact O-N 3.38Å | ||
| 370 | R | 31.1 | Very low | 31.8 | Very low | 251 Ų | 251 | 141.8 Ų | 141.8 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | trans | -49.9 | 107.8 | 176.9 | -88.3 | 168.8 | 150.3 | 165.6 | -8.2 | 110 | ||||
| 371 | T | 34.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -90 | 115.7 | 151.3 | 49.4 | 0 | 0 | 0 | 0 | 107.1 | M369 N373 | M369-T371 PolarHBondContact O-N 3.38Å; T371-N373 VanDerWaalsContact C-N 3.29Å; T371-N373 PolarHBondContact O-N 2.92Å | ||
| 372 | T | 30.9 | Very low | 33.5 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -68.2 | 92.6 | 165.9 | 43.7 | 0 | 0 | 0 | 0 | 107.7 | C374 | T372-C374 VanDerWaalsContact C-N 3.33Å; T372-C374 PolarHBondContact O-N 3.29Å; T372-C374 VanDerWaalsContact O-N 3.07Å | ||
| 373 | N | 31.6 | Very low | 34.8 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -69.6 | 94.9 | 161.8 | -73.6 | -21.4 | 0 | 0 | 0 | 107.3 | T371 S375 | T371-N373 VanDerWaalsContact C-N 3.29Å; T371-N373 PolarHBondContact O-N 2.92Å; N373-S375 PolarHBondContact O-N 2.98Å | ||
| 374 | C | 27.3 | Very low | 36.3 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | -81.2 | 94.6 | 164.9 | -150 | 0 | 0 | 0 | 0 | 106.5 | T372 F376 | T372-C374 VanDerWaalsContact C-N 3.33Å; T372-C374 PolarHBondContact O-N 3.29Å; T372-C374 VanDerWaalsContact O-N 3.07Å; C374-F376 PolarHBondContact O-N 3.32Å; C374-F376 VanDerWaalsContact O-N 3.1Å | ||
| 375 | S | 30.5 | Very low | 38.6 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -69.4 | 100.8 | 160.6 | 66.4 | 0 | 0 | 0 | 0 | 106.6 | N373 E377 | N373-S375 PolarHBondContact O-N 2.98Å; S375-E377 PolarHBondContact O-N 3.46Å | ||
| 376 | F | 30.9 | Very low | 40.3 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | -78 | 101 | 165.2 | -132.4 | -90.9 | 0 | 0 | 0 | 106.6 | C374 L378 | C374-F376 PolarHBondContact O-N 3.32Å; C374-F376 VanDerWaalsContact O-N 3.1Å; F376-L378 HydrophobicContact CD1-CD2 3.58Å; F376-L378 HydrophobicContact CD1-CG 3.81Å; F376-L378 HydrophobicContact CE1-CD2 3.94Å; F376-L378 PolarHBondContact O-N 2.96Å | ||
| 377 | E | 29.9 | Very low | 42.5 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | trans | -61.3 | 93.6 | 159.1 | -78.2 | -174.8 | 154 | 0 | 0 | 107.4 | S375 T379 | S375-E377 PolarHBondContact O-N 3.46Å; E377-T379 VanDerWaalsContact C-N 3.25Å; E377-T379 PolarHBondContact O-N 3.27Å | ||
| 378 | L | 36.2 | Very low | 44.4 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 56% | 0.555 | 69% | 0.691 | S | S | * | * | trans | -84.9 | 76.9 | 165.9 | -71.9 | 167.3 | 0 | 0 | 0 | 107.9 | F376 N380 T381 | F376-L378 HydrophobicContact CD1-CD2 3.58Å; F376-L378 HydrophobicContact CD1-CG 3.81Å; F376-L378 HydrophobicContact CE1-CD2 3.94Å; F376-L378 PolarHBondContact O-N 2.96Å; L378-N380 PolarHBondContact O-N 2.92Å; L378-T381 HydrophobicContact CD2-CG2 3.7Å | ||
| 379 | T | 37.3 | Very low | 46.5 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 117.7 | 157.1 | 53.8 | 0 | 0 | 0 | 0 | 107.6 | E377 | E377-T379 VanDerWaalsContact C-N 3.25Å; E377-T379 PolarHBondContact O-N 3.27Å |
| 380 | N | 36 | Very low | 48.4 | Very low | 161 Ų | 161 | 122 Ų | 122 | 86% | 0.861 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.1 | 34.3 | 167 | -55.2 | -14.3 | 0 | 0 | 0 | 118.9 | L378 T382 | L378-N380 PolarHBondContact O-N 2.92Å; N380-T382 PolarHBondContact O-N 2.92Å |
| 381 | T | 45.5 | Very low | 50.6 | Low | 82 Ų | 82 | 115.2 Ų | 115.2 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | trans | -83.6 | 113.3 | 158.7 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | L378 I383 | L378-T381 HydrophobicContact CD2-CG2 3.7Å; T381-I383 PolarHBondContact O-N 3.45Å | ||
| 382 | T | 43.7 | Very low | 52.6 | Low | 129 Ų | 129 | 116.7 Ų | 116.7 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | trans | -47 | 105.5 | 165.5 | -57 | 0 | 0 | 0 | 0 | 109.1 | N380 T384 | N380-T382 PolarHBondContact O-N 2.92Å; T382-T384 PolarHBondContact O-N 2.76Å | ||
| 383 | I | 59.4 | Low | 54.6 | Low | 114 Ų | 114 | 114 Ų | 114 | 59% | 0.585 | 61% | 0.61 | S | S | * | * | trans | -68.2 | 101.4 | 175.5 | -60.1 | 173.8 | 0 | 0 | 0 | 106.1 | T381 I388 | T381-I383 PolarHBondContact O-N 3.45Å; I383-I388 HydrophobicContact CG2-CD1 3.64Å; I383-I388 HydrophobicContact CG2-CG1 3.29Å | ||
| 384 | T | 64.3 | Low | 56.4 | Low | 63 Ų | 63 | 114.1 Ų | 114.1 | 39% | 0.387 | 60% | 0.604 | S | S | . | * | trans | -69.5 | 149.6 | 172.6 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | T382 D386 V387 I388 | T382-T384 PolarHBondContact O-N 2.76Å; T384-D386 PolarHBondContact O-N 2.97Å; T384-V387 PolarHBondContact O-N 3.03Å; T384-I388 PolarHBondContact O-N 3.09Å | ||
| 385 | P | 73.6 | Confident | 58.6 | Low | 105 Ų | 105 | 113.7 Ų | 113.7 | 68% | 0.682 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -54.1 | -27.5 | 176.6 | 18.7 | -30.5 | 0 | 0 | 0 | 112.7 | I388 R389 | P385-I388 PolarHBondContact O-N 3.19Å; P385-R389 WeakPolarHBondContact O-CB 3.34Å; P385-R389 PolarHBondContact O-N 3.41Å |
| 386 | D | 71.2 | Confident | 60.4 | Low | 94 Ų | 94 | 111.9 Ų | 111.9 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64 | -40.9 | 173.9 | -74.9 | -38.4 | 0 | 0 | 0 | 113.9 | T384 I388 R389 L390 | T384-D386 PolarHBondContact O-N 2.97Å; D386-I388 VanDerWaalsContact C-N 3.32Å; D386-I388 PolarHBondContact O-N 3.13Å; D386-R389 PolarHBondContact O-N 3.42Å; D386-R389 IonicContact OD1-NE 2.73Å; D386-L390 WeakPolarHBondContact O-CB 3.26Å; D386-L390 VanDerWaalsContact O-CG 3.3Å; D386-L390 WeakPolarHBondContact O-CG 3.33Å; D386-L390 PolarHBondContact O-N 2.9Å |
| 387 | V | 77.7 | Confident | 61.8 | Low | 77 Ų | 77 | 107.5 Ų | 107.5 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.8 | -39.4 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | T384 L390 Q391 | T384-V387 PolarHBondContact O-N 3.03Å; V387-L390 PolarHBondContact O-N 3.12Å; V387-Q391 WeakPolarHBondContact O-CB 3.47Å; V387-Q391 PolarHBondContact O-N 3.37Å |
| 388 | I | 74.4 | Confident | 63.4 | Low | 83 Ų | 83 | 104.3 Ų | 104.3 | 43% | 0.426 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -43.6 | 174.8 | -56.5 | 179.2 | 0 | 0 | 0 | 110.4 | I383 T384 P385 D386 Q391 K392 | I383-I388 HydrophobicContact CG2-CD1 3.64Å; I383-I388 HydrophobicContact CG2-CG1 3.29Å; T384-I388 PolarHBondContact O-N 3.09Å; P385-I388 PolarHBondContact O-N 3.19Å; D386-I388 VanDerWaalsContact C-N 3.32Å; D386-I388 PolarHBondContact O-N 3.13Å; I388-Q391 PolarHBondContact O-N 3.46Å; I388-K392 HydrophobicContact CG2-CD 4.33Å; I388-K392 WeakPolarHBondContact O-CB 3.48Å; I388-K392 WeakPolarHBondContact O-CG 3.47Å; I388-K392 PolarHBondContact O-N 2.84Å |
| 389 | R | 75.6 | Confident | 64.9 | Low | 138 Ų | 138 | 106.3 Ų | 106.3 | 52% | 0.521 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.3 | -46.5 | 178 | -169.5 | -177.7 | 70.8 | 90.7 | 0.2 | 111.3 | P385 D386 K392 I393 | P385-R389 WeakPolarHBondContact O-CB 3.34Å; P385-R389 PolarHBondContact O-N 3.41Å; D386-R389 PolarHBondContact O-N 3.42Å; D386-R389 IonicContact OD1-NE 2.73Å; R389-K392 PolarHBondContact O-N 3.39Å; R389-I393 HydrophobicContact CG-CD1 4.11Å; R389-I393 VanDerWaalsContact O-CG1 3.31Å; R389-I393 WeakPolarHBondContact O-CG1 3.39Å; R389-I393 PolarHBondContact O-N 3.29Å |
| 390 | L | 75.8 | Confident | 66.2 | Low | 103 Ų | 103 | 106.6 Ų | 106.6 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.4 | -39.9 | 177 | -71.5 | 171.5 | 0 | 0 | 0 | 112 | D386 V387 I393 K394 | D386-L390 WeakPolarHBondContact O-CB 3.26Å; D386-L390 VanDerWaalsContact O-CG 3.3Å; D386-L390 WeakPolarHBondContact O-CG 3.33Å; D386-L390 PolarHBondContact O-N 2.9Å; V387-L390 PolarHBondContact O-N 3.12Å; L390-I393 PolarHBondContact O-N 2.9Å; L390-K394 VanDerWaalsContact O-CB 3.31Å; L390-K394 WeakPolarHBondContact O-CB 3.31Å; L390-K394 PolarHBondContact O-N 2.92Å |
| 391 | Q | 76.5 | Confident | 67.8 | Low | 108 Ų | 108 | 103.1 Ų | 103.1 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -41.6 | 175.2 | -164.3 | 78.4 | 10.2 | 0 | 0 | 111.3 | V387 I388 K394 N395 | V387-Q391 WeakPolarHBondContact O-CB 3.47Å; V387-Q391 PolarHBondContact O-N 3.37Å; I388-Q391 PolarHBondContact O-N 3.46Å; Q391-K394 PolarHBondContact O-N 2.93Å; Q391-N395 WeakPolarHBondContact O-CB 3.41Å; Q391-N395 PolarHBondContact O-N 2.85Å; Q391-N395 PolarHBondContact O-ND2 3.19Å; Q391-N395 PolarHBondContact O-OD1 3.26Å |
| 392 | K | 76 | Confident | 68.9 | Low | 146 Ų | 146 | 100.7 Ų | 100.7 | 64% | 0.635 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.2 | -44.9 | 175.1 | -76.2 | -179.6 | 177.1 | -174.6 | 0 | 111.8 | I388 R389 N395 A396 | I388-K392 HydrophobicContact CG2-CD 4.33Å; I388-K392 WeakPolarHBondContact O-CB 3.48Å; I388-K392 WeakPolarHBondContact O-CG 3.47Å; I388-K392 PolarHBondContact O-N 2.84Å; R389-K392 PolarHBondContact O-N 3.39Å; K392-N395 PolarHBondContact O-N 2.92Å; K392-A396 WeakPolarHBondContact O-CB 3.33Å; K392-A396 PolarHBondContact O-N 2.92Å |
| 393 | I | 73.1 | Confident | 70.4 | Confident | 77 Ų | 77 | 99.4 Ų | 99.4 | 40% | 0.395 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 176.1 | -68.4 | 165.7 | 0 | 0 | 0 | 110.2 | R389 L390 N395 A396 C397 | R389-I393 HydrophobicContact CG-CD1 4.11Å; R389-I393 VanDerWaalsContact O-CG1 3.31Å; R389-I393 WeakPolarHBondContact O-CG1 3.39Å; R389-I393 PolarHBondContact O-N 3.29Å; L390-I393 PolarHBondContact O-N 2.9Å; I393-N395 VanDerWaalsContact C-N 3.3Å; I393-N395 PolarHBondContact O-N 3.48Å; I393-A396 PolarHBondContact O-N 3.47Å; I393-A396 VanDerWaalsContact O-N 3.12Å; I393-C397 PolarHBondContact O-N 3.3Å; I393-C397 PolarHBondContact O-SG 3.35Å |
| 394 | K | 70.3 | Confident | 71.3 | Confident | 149 Ų | 149 | 94.4 Ų | 94.4 | 65% | 0.648 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.4 | -42.8 | 178.2 | -173.4 | 174.1 | 178.7 | 175.5 | 0 | 111.7 | L390 Q391 C397 V398 | L390-K394 VanDerWaalsContact O-CB 3.31Å; L390-K394 WeakPolarHBondContact O-CB 3.31Å; L390-K394 PolarHBondContact O-N 2.92Å; Q391-K394 PolarHBondContact O-N 2.93Å; K394-C397 PolarHBondContact O-N 3.26Å; K394-V398 WeakPolarHBondContact O-CG2 3.26Å; K394-V398 PolarHBondContact O-N 2.96Å |
| 395 | N | 72.1 | Confident | 71.7 | Confident | 97 Ų | 97 | 95.6 Ų | 95.6 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69 | -34.1 | 177.5 | -69.4 | -8.7 | 0 | 0 | 0 | 112.7 | Q391 K392 I393 C397 | Q391-N395 WeakPolarHBondContact O-CB 3.41Å; Q391-N395 PolarHBondContact O-N 2.85Å; Q391-N395 PolarHBondContact O-ND2 3.19Å; Q391-N395 PolarHBondContact O-OD1 3.26Å; K392-N395 PolarHBondContact O-N 2.92Å; I393-N395 VanDerWaalsContact C-N 3.3Å; I393-N395 PolarHBondContact O-N 3.48Å; N395-C397 VanDerWaalsContact C-N 3.32Å |
| 396 | A | 69 | Low | 72 | Confident | 71 Ų | 71 | 96.3 Ų | 96.3 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.6 | -30.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K392 I393 L400 | K392-A396 WeakPolarHBondContact O-CB 3.33Å; K392-A396 PolarHBondContact O-N 2.92Å; I393-A396 PolarHBondContact O-N 3.47Å; I393-A396 VanDerWaalsContact O-N 3.12Å; A396-L400 WeakPolarHBondContact O-CD1 3.44Å |
| 397 | C | 61 | Low | 72.2 | Confident | 70 Ų | 70 | 95 Ų | 95 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -83.4 | -6.2 | -179.6 | -63.8 | 0 | 0 | 0 | 0 | 115.1 | I393 K394 N395 N399 L400 | I393-C397 PolarHBondContact O-N 3.3Å; I393-C397 PolarHBondContact O-SG 3.35Å; K394-C397 PolarHBondContact O-N 3.26Å; N395-C397 VanDerWaalsContact C-N 3.32Å; C397-N399 PolarHBondContact O-N 3.04Å; C397-N399 VanDerWaalsContact O-N 3.13Å; C397-L400 PolarHBondContact O-N 3.32Å |
| 398 | V | 63.3 | Low | 72.3 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 62% | 0.624 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -59.5 | -28.6 | -175.8 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | K394 | K394-V398 WeakPolarHBondContact O-CG2 3.26Å; K394-V398 PolarHBondContact O-N 2.96Å |
| 399 | N | 66.7 | Low | 72.4 | Confident | 149 Ų | 149 | 96.2 Ų | 96.2 | 80% | 0.797 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -107.6 | 4.7 | -176.7 | -62.4 | -34.6 | 0 | 0 | 0 | 114 | C397 | C397-N399 PolarHBondContact O-N 3.04Å; C397-N399 VanDerWaalsContact O-N 3.13Å |
| 400 | L | 66 | Low | 72.3 | Confident | 120 Ų | 120 | 94.6 Ų | 94.6 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -78.5 | 128.4 | 173.2 | -83.2 | 97.3 | 0 | 0 | 0 | 109.1 | A396 C397 N402 | A396-L400 WeakPolarHBondContact O-CD1 3.44Å; C397-L400 PolarHBondContact O-N 3.32Å; L400-N402 PolarHBondContact O-N 2.9Å |
| 401 | P | 68.1 | Low | 72.1 | Confident | 88 Ų | 88 | 91 Ų | 91 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 139.6 | 171.5 | 22.4 | -29.5 | 0 | 0 | 0 | 109.4 | T403 L406 | P401-T403 PolarHBondContact O-N 2.86Å; P401-L406 HydrophobicContact CB-CD1 4.29Å; P401-L406 HydrophobicContact CG-CD1 4.12Å |
| 402 | N | 69.5 | Low | 72 | Confident | 30 Ų | 30 | 89.1 Ų | 89.1 | 16% | 0.16 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 137.6 | 178.8 | -169.6 | -4.4 | 0 | 0 | 0 | 109.2 | L400 I404 D405 L406 H420 | L400-N402 PolarHBondContact O-N 2.9Å; N402-I404 HydrophobicContact CB-CG2 4.13Å; N402-I404 PolarHBondContact O-N 3.19Å; N402-D405 WeakPolarHBondContact O-CB 3.4Å; N402-D405 PolarHBondContact O-N 3.4Å; N402-L406 WeakPolarHBondContact O-CD1 3.31Å; N402-H420 PolarHBondContact ND2-CD2 3.26Å; N402-H420 PolarHBondContact ND2-NE2 2.9Å |
| 403 | T | 75.7 | Confident | 72 | Confident | 103 Ų | 103 | 85.2 Ų | 85.2 | 63% | 0.632 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -52.9 | -33.6 | -178.3 | 50.2 | 0 | 0 | 0 | 0 | 112 | P401 D405 L406 V407 | P401-T403 PolarHBondContact O-N 2.86Å; T403-D405 VanDerWaalsContact C-N 3.27Å; T403-D405 PolarHBondContact O-N 2.99Å; T403-L406 WeakPolarHBondContact O-CB 3.34Å; T403-L406 PolarHBondContact O-N 3.43Å; T403-L406 VanDerWaalsContact O-N 3.15Å; T403-V407 PolarHBondContact O-N 3.36Å |
| 404 | I | 76.6 | Confident | 72.2 | Confident | 9 Ų | 9 | 85.9 Ų | 85.9 | 5% | 0.046 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.1 | -32.2 | 176.7 | -156.8 | 156.9 | 0 | 0 | 0 | 113.4 | N402 L406 V407 I415 H420 K422 | N402-I404 HydrophobicContact CB-CG2 4.13Å; N402-I404 PolarHBondContact O-N 3.19Å; I404-L406 VanDerWaalsContact C-N 3.3Å; I404-L406 PolarHBondContact O-N 3.26Å; I404-V407 PolarHBondContact O-N 3.3Å; I404-I415 HydrophobicContact CD1-CB 3.73Å; I404-I415 HydrophobicContact CD1-CG2 3.48Å; I404-I415 VanDerWaalsContact CD1-CG2 3.48Å; I404-I415 WeakPolarHBondContact CD1-O 3.32Å; I404-I415 HydrophobicContact CG1-CB 4.13Å; I404-I415 HydrophobicContact CG1-CG2 4.02Å; I404-H420 HydrophobicContact CG2-CB 3.76Å; I404-K422 HydrophobicContact CD1-CB 4.47Å; I404-K422 HydrophobicContact CG1-CB 3.97Å; I404-K422 WeakPolarHBondContact O-CD 3.39Å |
| 405 | D | 74.5 | Confident | 72.5 | Confident | 88 Ų | 88 | 82 Ų | 82 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.6 | -26 | 178.3 | -66.1 | -31.2 | 0 | 0 | 0 | 111.3 | N402 T403 K422 | N402-D405 WeakPolarHBondContact O-CB 3.4Å; N402-D405 PolarHBondContact O-N 3.4Å; T403-D405 VanDerWaalsContact C-N 3.27Å; T403-D405 PolarHBondContact O-N 2.99Å; D405-K422 PolarHBondContact O-NZ 2.92Å |
| 406 | L | 79.4 | Confident | 72.9 | Confident | 119 Ų | 119 | 81.3 Ų | 81.3 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -77.4 | -17 | 175.4 | -69.6 | 120.7 | 0 | 0 | 0 | 114 | P401 N402 T403 I404 | P401-L406 HydrophobicContact CB-CD1 4.29Å; P401-L406 HydrophobicContact CG-CD1 4.12Å; N402-L406 WeakPolarHBondContact O-CD1 3.31Å; T403-L406 WeakPolarHBondContact O-CB 3.34Å; T403-L406 PolarHBondContact O-N 3.43Å; T403-L406 VanDerWaalsContact O-N 3.15Å; I404-L406 VanDerWaalsContact C-N 3.3Å; I404-L406 PolarHBondContact O-N 3.26Å |
| 407 | V | 75.5 | Confident | 73.2 | Confident | 68 Ų | 68 | 82.7 Ų | 82.7 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -89.2 | 117.1 | -177.4 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | T403 I404 L409 K422 | T403-V407 PolarHBondContact O-N 3.36Å; I404-V407 PolarHBondContact O-N 3.3Å; V407-L409 HydrophobicContact CG1-CD2 3.85Å; V407-L409 PolarHBondContact O-N 3.42Å; V407-K422 WeakPolarHBondContact O-CE 3.12Å; V407-K422 PolarHBondContact O-NZ 3.05Å |
| 408 | D | 79.3 | Confident | 73.8 | Confident | 156 Ų | 156 | 83.1 Ų | 83.1 | 83% | 0.834 | 51% | 0.511 | S | S | * | . | trans | -73.8 | 108.7 | 169.4 | -84.7 | -13.1 | 0 | 0 | 0 | 110.4 | ||||
| 409 | L | 75.6 | Confident | 74.1 | Confident | 28 Ų | 28 | 86.7 Ų | 86.7 | 15% | 0.147 | 52% | 0.521 | C | S | . | . | trans | -83.7 | 133.3 | -178.3 | -63.1 | 179.2 | 0 | 0 | 0 | 111.6 | V407 V413 I415 K422 G424 | V407-L409 HydrophobicContact CG1-CD2 3.85Å; V407-L409 PolarHBondContact O-N 3.42Å; L409-V413 HydrophobicContact CD2-CG1 4.11Å; L409-I415 HydrophobicContact CD1-CG1 4.21Å; L409-I415 HydrophobicContact CD2-CB 4.49Å; L409-I415 HydrophobicContact CD2-CD1 3.28Å; L409-I415 HydrophobicContact CD2-CG1 3.54Å; L409-K422 HydrophobicContact CD1-CB 3.68Å; L409-K422 HydrophobicContact CD1-CD 4.13Å; L409-K422 HydrophobicContact CD1-CG 3.68Å; L409-K422 WeakPolarHBondContact CD1-O 3.37Å; L409-K422 HydrophobicContact CG-CD 4.37Å; L409-K422 HydrophobicContact CG-CG 4.4Å; L409-G424 VanDerWaalsContact CB-CA 3.43Å; L409-G424 WeakPolarHBondContact O-CA 3.3Å | ||
| 410 | V | 73.4 | Confident | 74.3 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | trans | -66.8 | 142.9 | 168.5 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | G412 V413 G424 | V410-G412 PolarHBondContact O-N 3.48Å; V410-V413 HydrophobicContact CB-CG2 4.32Å; V410-V413 WeakPolarHBondContact O-CB 3.43Å; V410-V413 PolarHBondContact O-N 3.39Å; V410-G424 WeakPolarHBondContact O-CA 3.27Å | ||
| 411 | A | 71.9 | Confident | 74.8 | Confident | 27 Ų | 27 | 83.3 Ų | 83.3 | 22% | 0.223 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -32.2 | 119.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G424 L426 | A411-G424 WeakPolarHBondContact CA-O 3.39Å; A411-L426 HydrophobicContact CB-CB 4.36Å; A411-L426 HydrophobicContact CB-CD2 3.47Å; A411-L426 VanDerWaalsContact CB-CD2 3.47Å; A411-L426 HydrophobicContact CB-CG 3.48Å; A411-L426 VanDerWaalsContact CB-CG 3.48Å |
| 412 | G | 75.3 | Confident | 75.2 | Confident | 69 Ų | 69 | 81.5 Ų | 81.5 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -4.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | V410 G424 | V410-G412 PolarHBondContact O-N 3.48Å; G412-G424 PolarHBondContact N-O 3.4Å |
| 413 | V | 75.2 | Confident | 75.7 | Confident | 65 Ų | 65 | 84.9 Ų | 84.9 | 39% | 0.394 | 50% | 0.5 | S | S | . | . | trans | -92 | 130.5 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | L409 V410 I415 G424 | L409-V413 HydrophobicContact CD2-CG1 4.11Å; V410-V413 HydrophobicContact CB-CG2 4.32Å; V410-V413 WeakPolarHBondContact O-CB 3.43Å; V410-V413 PolarHBondContact O-N 3.39Å; V413-I415 HydrophobicContact CG1-CG1 4.15Å; V413-G424 PolarHBondContact O-N 3.48Å | ||
| 414 | T | 77.3 | Confident | 75.7 | Confident | 91 Ų | 91 | 80.3 Ų | 80.3 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.5 | 173 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | K422 I423 | T414-K422 WeakPolarHBondContact CA-O 3.49Å; T414-I423 HydrophobicContact CG2-CB 4.2Å; T414-I423 HydrophobicContact CG2-CG1 3.79Å; T414-I423 HydrophobicContact CG2-CG2 3.96Å |
| 415 | I | 77.4 | Confident | 75.2 | Confident | 67 Ų | 67 | 88 Ų | 88 | 34% | 0.344 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.3 | 174.3 | -52.3 | -168.5 | 0 | 0 | 0 | 108.3 | I404 L409 V413 L421 K422 | I404-I415 HydrophobicContact CD1-CB 3.73Å; I404-I415 HydrophobicContact CD1-CG2 3.48Å; I404-I415 VanDerWaalsContact CD1-CG2 3.48Å; I404-I415 WeakPolarHBondContact CD1-O 3.32Å; I404-I415 HydrophobicContact CG1-CB 4.13Å; I404-I415 HydrophobicContact CG1-CG2 4.02Å; L409-I415 HydrophobicContact CD1-CG1 4.21Å; L409-I415 HydrophobicContact CD2-CB 4.49Å; L409-I415 HydrophobicContact CD2-CD1 3.28Å; L409-I415 HydrophobicContact CD2-CG1 3.54Å; V413-I415 HydrophobicContact CG1-CG1 4.15Å; I415-L421 WeakPolarHBondContact O-CA 3.27Å; I415-K422 PolarHBondContact N-O 3Å; I415-K422 PolarHBondContact O-N 3.47Å |
| 416 | S | 79.8 | Confident | 74.4 | Confident | 82 Ų | 82 | 86.5 Ų | 86.5 | 57% | 0.573 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.5 | 171.4 | 69 | 0 | 0 | 0 | 0 | 112.6 | H420 | S416-H420 CarbonylContact C-O 3.52Å; S416-H420 WeakPolarHBondContact CA-O 3.28Å |
| 417 | D | 75.2 | Confident | 73.4 | Confident | 101 Ų | 101 | 89.2 Ų | 89.2 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | trans | -106.3 | 26.6 | 172.1 | -170.3 | 26.9 | 0 | 0 | 0 | 111.9 | E419 H420 | D417-E419 PolarHBondContact O-N 2.97Å; D417-H420 PolarHBondContact N-O 3.06Å | ||
| 418 | G | 73.1 | Confident | 72.6 | Confident | 78 Ų | 78 | 92.6 Ų | 92.6 | 80% | 0.804 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 77.7 | -44.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 419 | E | 71.3 | Confident | 71.6 | Confident | 179 Ų | 179 | 92.3 Ų | 92.3 | 84% | 0.836 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -95.7 | -25.3 | 176.5 | -65.2 | -174 | 173.2 | 0 | 0 | 112.9 | D417 | D417-E419 PolarHBondContact O-N 2.97Š|
| 420 | H | 69.9 | Low | 70.7 | Confident | 77 Ų | 77 | 95 Ų | 95 | 36% | 0.356 | 52% | 0.524 | S | S | . | . | trans | -125.2 | 142.3 | -176.5 | -63.4 | -101.8 | 0 | 0 | 0 | 111 | N402 I404 S416 D417 | N402-H420 PolarHBondContact ND2-CD2 3.26Å; N402-H420 PolarHBondContact ND2-NE2 2.9Å; I404-H420 HydrophobicContact CG2-CB 3.76Å; S416-H420 CarbonylContact C-O 3.52Å; S416-H420 WeakPolarHBondContact CA-O 3.28Å; D417-H420 PolarHBondContact N-O 3.06Å | ||
| 421 | L | 75.8 | Confident | 69.8 | Low | 120 Ų | 120 | 94.8 Ų | 94.8 | 63% | 0.628 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.8 | 175.2 | 177.4 | 76.5 | 0 | 0 | 0 | 108.4 | I415 I423 | I415-L421 WeakPolarHBondContact O-CA 3.27Å; L421-I423 HydrophobicContact CD2-CD1 4.17Å; L421-I423 HydrophobicContact CD2-CG1 4.4Å; L421-I423 HydrophobicContact CG-CG1 4.31Å |
| 422 | K | 76.9 | Confident | 69.1 | Low | 50 Ų | 50 | 97.2 Ų | 97.2 | 22% | 0.217 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.7 | 172.9 | -164.1 | 179.5 | -178.3 | -178.8 | 0 | 109.3 | I404 D405 V407 L409 T414 I415 | I404-K422 HydrophobicContact CD1-CB 4.47Å; I404-K422 HydrophobicContact CG1-CB 3.97Å; I404-K422 WeakPolarHBondContact O-CD 3.39Å; D405-K422 PolarHBondContact O-NZ 2.92Å; V407-K422 WeakPolarHBondContact O-CE 3.12Å; V407-K422 PolarHBondContact O-NZ 3.05Å; L409-K422 HydrophobicContact CD1-CB 3.68Å; L409-K422 HydrophobicContact CD1-CD 4.13Å; L409-K422 HydrophobicContact CD1-CG 3.68Å; L409-K422 WeakPolarHBondContact CD1-O 3.37Å; L409-K422 HydrophobicContact CG-CD 4.37Å; L409-K422 HydrophobicContact CG-CG 4.4Å; T414-K422 WeakPolarHBondContact CA-O 3.49Å; I415-K422 PolarHBondContact N-O 3Å; I415-K422 PolarHBondContact O-N 3.47Å |
| 423 | I | 80.6 | Confident | 68.2 | Low | 102 Ų | 102 | 102.9 Ų | 102.9 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.4 | -176 | -56.7 | 169.8 | 0 | 0 | 0 | 107.4 | T414 L421 Q425 | T414-I423 HydrophobicContact CG2-CB 4.2Å; T414-I423 HydrophobicContact CG2-CG1 3.79Å; T414-I423 HydrophobicContact CG2-CG2 3.96Å; L421-I423 HydrophobicContact CD2-CD1 4.17Å; L421-I423 HydrophobicContact CD2-CG1 4.4Å; L421-I423 HydrophobicContact CG-CG1 4.31Å; I423-Q425 PolarHBondContact O-N 3.16Å |
| 424 | G | 75.6 | Confident | 67.5 | Low | 6 Ų | 6 | 104 Ų | 104 | 6% | 0.062 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 116.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L409 V410 A411 G412 V413 | L409-G424 VanDerWaalsContact CB-CA 3.43Å; L409-G424 WeakPolarHBondContact O-CA 3.3Å; V410-G424 WeakPolarHBondContact O-CA 3.27Å; A411-G424 WeakPolarHBondContact CA-O 3.39Å; G412-G424 PolarHBondContact N-O 3.4Å; V413-G424 PolarHBondContact O-N 3.48Å |
| 425 | Q | 67.3 | Low | 66.6 | Low | 171 Ų | 171 | 105.8 Ų | 105.8 | 80% | 0.799 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 128.7 | -172.8 | -143.4 | 142.1 | 28.2 | 0 | 0 | 110.3 | I423 R427 | I423-Q425 PolarHBondContact O-N 3.16Å; Q425-R427 PolarHBondContact O-N 3.2Å |
| 426 | L | 57 | Low | 65.7 | Low | 57 Ų | 57 | 108.8 Ų | 108.8 | 30% | 0.298 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 118.4 | 169.7 | -87.1 | 154.2 | 0 | 0 | 0 | 108.7 | A411 Q430 F431 I434 | A411-L426 HydrophobicContact CB-CB 4.36Å; A411-L426 HydrophobicContact CB-CD2 3.47Å; A411-L426 VanDerWaalsContact CB-CD2 3.47Å; A411-L426 HydrophobicContact CB-CG 3.48Å; A411-L426 VanDerWaalsContact CB-CG 3.48Å; L426-Q430 HydrophobicContact CD2-CB 3.85Å; L426-F431 HydrophobicContact CB-CD2 3.55Å; L426-F431 HydrophobicContact CB-CE2 3.69Å; L426-F431 HydrophobicContact CD1-CD2 3.76Å; L426-F431 HydrophobicContact CD1-CE2 3.3Å; L426-F431 HydrophobicContact CD1-CZ 3.86Å; L426-F431 HydrophobicContact CD2-CD2 4.3Å; L426-F431 HydrophobicContact CG-CD2 4.04Å; L426-F431 HydrophobicContact CG-CE2 4.01Å; L426-I434 HydrophobicContact CD2-CD1 4.15Å |
| 427 | R | 59.1 | Low | 64.7 | Low | 176 Ų | 176 | 108.3 Ų | 108.3 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 137.9 | 163.4 | -75.1 | -167.9 | -90.4 | -179.4 | -8.4 | 107.8 | Q425 E429 Q430 F431 | Q425-R427 PolarHBondContact O-N 3.2Å; R427-E429 PolarHBondContact O-N 3.04Å; R427-Q430 WeakPolarHBondContact O-CB 3.5Å; R427-Q430 PolarHBondContact O-N 2.94Å; R427-F431 PolarHBondContact O-N 3.39Å |
| 428 | N | 57.8 | Low | 63.4 | Low | 138 Ų | 138 | 107.9 Ų | 107.9 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -48.6 | -34.1 | -178.1 | -72.2 | -16.8 | 0 | 0 | 0 | 112.9 | Q430 F431 T432 | N428-Q430 VanDerWaalsContact C-N 3.34Å; N428-Q430 PolarHBondContact O-N 3.19Å; N428-F431 VanDerWaalsContact O-CB 3.31Å; N428-F431 WeakPolarHBondContact O-CB 3.45Å; N428-F431 PolarHBondContact O-N 3.07Å; N428-T432 PolarHBondContact O-N 3.21Å; N428-T432 VanDerWaalsContact O-N 3.15Å; N428-T432 PolarHBondContact O-OG1 3.23Å |
| 429 | E | 58.8 | Low | 62.9 | Low | 150 Ų | 150 | 112.2 Ų | 112.2 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -35.9 | 177.3 | -58.7 | 175.5 | -157.4 | 0 | 0 | 113.5 | R427 Y433 | R427-E429 PolarHBondContact O-N 3.04Å; E429-Y433 PolarHBondContact O-N 3.41Å |
| 430 | Q | 56.5 | Low | 62.4 | Low | 84 Ų | 84 | 110.5 Ų | 110.5 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.9 | -34.1 | 175.8 | -66.8 | 178.1 | -25.8 | 0 | 0 | 111.4 | L426 R427 N428 T432 Y433 I434 | L426-Q430 HydrophobicContact CD2-CB 3.85Å; R427-Q430 WeakPolarHBondContact O-CB 3.5Å; R427-Q430 PolarHBondContact O-N 2.94Å; N428-Q430 VanDerWaalsContact C-N 3.34Å; N428-Q430 PolarHBondContact O-N 3.19Å; Q430-T432 VanDerWaalsContact C-N 3.33Å; Q430-T432 PolarHBondContact O-N 3.15Å; Q430-Y433 PolarHBondContact O-N 3.14Å; Q430-I434 WeakPolarHBondContact O-CG1 3.4Å; Q430-I434 PolarHBondContact O-N 3.27Å |
| 431 | F | 54.3 | Low | 61.8 | Low | 101 Ų | 101 | 112.8 Ų | 112.8 | 44% | 0.443 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 174.4 | -117.6 | -71.3 | 0 | 0 | 0 | 111.4 | L426 R427 N428 Y433 I434 L435 | L426-F431 HydrophobicContact CB-CD2 3.55Å; L426-F431 HydrophobicContact CB-CE2 3.69Å; L426-F431 HydrophobicContact CD1-CD2 3.76Å; L426-F431 HydrophobicContact CD1-CE2 3.3Å; L426-F431 HydrophobicContact CD1-CZ 3.86Å; L426-F431 HydrophobicContact CD2-CD2 4.3Å; L426-F431 HydrophobicContact CG-CD2 4.04Å; L426-F431 HydrophobicContact CG-CE2 4.01Å; R427-F431 PolarHBondContact O-N 3.39Å; N428-F431 VanDerWaalsContact O-CB 3.31Å; N428-F431 WeakPolarHBondContact O-CB 3.45Å; N428-F431 PolarHBondContact O-N 3.07Å; F431-Y433 VanDerWaalsContact C-N 3.34Å; F431-Y433 PolarHBondContact O-N 3.2Å; F431-I434 PolarHBondContact O-N 3.12Å; F431-L435 HydrophobicContact CD1-CD1 4.33Å; F431-L435 WeakPolarHBondContact O-CG 3.15Å; F431-L435 PolarHBondContact O-N 2.93Å |
| 432 | T | 56.7 | Low | 60.7 | Low | 77 Ų | 77 | 113.1 Ų | 113.1 | 47% | 0.472 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | -180 | -30.7 | 0 | 0 | 0 | 0 | 112.2 | N428 Q430 L435 N436 | N428-T432 PolarHBondContact O-N 3.21Å; N428-T432 VanDerWaalsContact O-N 3.15Å; N428-T432 PolarHBondContact O-OG1 3.23Å; Q430-T432 VanDerWaalsContact C-N 3.33Å; Q430-T432 PolarHBondContact O-N 3.15Å; T432-L435 PolarHBondContact O-N 2.9Å; T432-N436 VanDerWaalsContact O-CB 3.31Å; T432-N436 WeakPolarHBondContact O-CB 3.28Å; T432-N436 PolarHBondContact O-N 3.42Å |
| 433 | Y | 57 | Low | 59.7 | Low | 188 Ų | 188 | 118.1 Ų | 118.1 | 74% | 0.737 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.2 | -41.1 | 175.5 | -97.9 | -80.9 | 0 | 0 | 0 | 112.6 | E429 Q430 F431 L435 N436 T437 | E429-Y433 PolarHBondContact O-N 3.41Å; Q430-Y433 PolarHBondContact O-N 3.14Å; F431-Y433 VanDerWaalsContact C-N 3.34Å; F431-Y433 PolarHBondContact O-N 3.2Å; Y433-L435 VanDerWaalsContact C-N 3.35Å; Y433-N436 PolarHBondContact O-N 3.18Å; Y433-T437 PolarHBondContact O-N 3.46Å; Y433-T437 VanDerWaalsContact O-N 3.12Å; Y433-T437 PolarHBondContact O-OG1 3.37Å |
| 434 | I | 60.7 | Low | 58.4 | Low | 90 Ų | 90 | 122.2 Ų | 122.2 | 46% | 0.462 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.1 | -32.2 | 178.7 | -65.1 | 167.1 | 0 | 0 | 0 | 111.8 | L426 Q430 F431 T437 | L426-I434 HydrophobicContact CD2-CD1 4.15Å; Q430-I434 WeakPolarHBondContact O-CG1 3.4Å; Q430-I434 PolarHBondContact O-N 3.27Å; F431-I434 PolarHBondContact O-N 3.12Å; I434-T437 PolarHBondContact O-OG1 3.23Å |
| 435 | L | 58.2 | Low | 57.5 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.8 | -29.3 | 174.9 | -69.6 | 173.7 | 0 | 0 | 0 | 112.6 | F431 T432 Y433 | F431-L435 HydrophobicContact CD1-CD1 4.33Å; F431-L435 WeakPolarHBondContact O-CG 3.15Å; F431-L435 PolarHBondContact O-N 2.93Å; T432-L435 PolarHBondContact O-N 2.9Å; Y433-L435 VanDerWaalsContact C-N 3.35Å |
| 436 | N | 58.9 | Low | 57.2 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -88.5 | -7 | 179.7 | -76.7 | -8 | 0 | 0 | 0 | 114.3 | T432 Y433 N438 | T432-N436 VanDerWaalsContact O-CB 3.31Å; T432-N436 WeakPolarHBondContact O-CB 3.28Å; T432-N436 PolarHBondContact O-N 3.42Å; Y433-N436 PolarHBondContact O-N 3.18Å; N436-N438 PolarHBondContact O-N 3.3Å |
| 437 | T | 57.6 | Low | 57.3 | Low | 72 Ų | 72 | 128.9 Ų | 128.9 | 44% | 0.442 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -64.9 | 118.8 | 171.1 | 27.2 | 0 | 0 | 0 | 0 | 110 | Y433 I434 W439 | Y433-T437 PolarHBondContact O-N 3.46Å; Y433-T437 VanDerWaalsContact O-N 3.12Å; Y433-T437 PolarHBondContact O-OG1 3.37Å; I434-T437 PolarHBondContact O-OG1 3.23Å; T437-W439 PolarHBondContact O-N 3.27Å; T437-W439 PolarHBondContact O-NE1 3.06Å |
| 438 | N | 48.8 | Very low | 57.2 | Low | 91 Ų | 91 | 127.1 Ų | 127.1 | 49% | 0.487 | 66% | 0.655 | S | S | . | * | trans | -65.9 | 101.6 | 172.7 | -176 | 24.9 | 0 | 0 | 0 | 108.9 | N436 N440 D441 | N436-N438 PolarHBondContact O-N 3.3Å; N438-N440 PolarHBondContact O-N 3.08Å; N438-N440 WeakPolarHBondContact OD1-CB 3.38Å; N438-N440 PolarHBondContact OD1-N 3.42Å; N438-N440 PolarHBondContact OD1-ND2 3.43Å; N438-D441 PolarHBondContact ND2-OD2 3.11Å | ||
| 439 | W | 62.1 | Low | 56.9 | Low | 170 Ų | 170 | 129.9 Ų | 129.9 | 64% | 0.644 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -74.5 | -5.5 | 178 | -67.8 | 98 | 0 | 0 | 0 | 113.4 | T437 D441 L442 | T437-W439 PolarHBondContact O-N 3.27Å; T437-W439 PolarHBondContact O-NE1 3.06Å; W439-D441 VanDerWaalsContact C-N 3.3Å; W439-D441 PolarHBondContact O-N 3.33Å; W439-L442 HydrophobicContact CE3-CD1 3.74Å; W439-L442 HydrophobicContact CZ3-CD1 4.08Å |
| 440 | N | 61 | Low | 56.8 | Low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -77.6 | -10.7 | -174.5 | -60.1 | -49.7 | 0 | 0 | 0 | 114.2 | N438 | N438-N440 PolarHBondContact O-N 3.08Å; N438-N440 WeakPolarHBondContact OD1-CB 3.38Å; N438-N440 PolarHBondContact OD1-N 3.42Å; N438-N440 PolarHBondContact OD1-ND2 3.43Å |
| 441 | D | 58.3 | Low | 56.6 | Low | 126 Ų | 126 | 134.5 Ų | 134.5 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -94.6 | 11.5 | -178.4 | -60.7 | -37.3 | 0 | 0 | 0 | 113.4 | N438 W439 D443 | N438-D441 PolarHBondContact ND2-OD2 3.11Å; W439-D441 VanDerWaalsContact C-N 3.3Å; W439-D441 PolarHBondContact O-N 3.33Å; D441-D443 PolarHBondContact O-N 3.25Å |
| 442 | L | 52 | Low | 56.7 | Low | 126 Ų | 126 | 136.2 Ų | 136.2 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | -85.3 | 101 | 171.8 | -78 | 165.4 | 0 | 0 | 0 | 109.5 | W439 E444 | W439-L442 HydrophobicContact CE3-CD1 3.74Å; W439-L442 HydrophobicContact CZ3-CD1 4.08Å; L442-E444 PolarHBondContact O-N 2.98Å | ||
| 443 | D | 56.6 | Low | 56.7 | Low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | -49.6 | 125.9 | 170.8 | -75.3 | -36.5 | 0 | 0 | 0 | 111 | D441 I445 | D441-D443 PolarHBondContact O-N 3.25Å; D443-I445 PolarHBondContact O-N 3.23Å; D443-I445 VanDerWaalsContact O-N 3.15Å | ||
| 444 | E | 52.9 | Low | 56.7 | Low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | -66.4 | 109.8 | 177.5 | -162.9 | 174.7 | -159.8 | 0 | 0 | 109.2 | L442 P446 | L442-E444 PolarHBondContact O-N 2.98Å; E444-P446 WeakPolarHBondContact O-CD 3.27Å | ||
| 445 | I | 56.2 | Low | 56.5 | Low | 152 Ų | 152 | 139.4 Ų | 139.4 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64 | 120.7 | 176.5 | -58.4 | 171.7 | 0 | 0 | 0 | 108.1 | D443 | D443-I445 PolarHBondContact O-N 3.23Å; D443-I445 VanDerWaalsContact O-N 3.15Å |
| 446 | P | 61.7 | Low | 56.4 | Low | 101 Ų | 101 | 140.1 Ų | 140.1 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -66 | 143.1 | -178.8 | 24.5 | -31.9 | 0 | 0 | 0 | 111.2 | E444 V448 | E444-P446 WeakPolarHBondContact O-CD 3.27Å; P446-V448 PolarHBondContact O-N 3.11Å |
| 447 | P | 57.9 | Low | 56.2 | Low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 126.7 | -179 | 25.6 | -32.7 | 0 | 0 | 0 | 110.9 | K449 | P447-K449 PolarHBondContact O-N 2.81Š|
| 448 | V | 57.2 | Low | 56.1 | Low | 140 Ų | 140 | 145.6 Ų | 145.6 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -64.1 | 113.8 | 169.5 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | P446 A450 | P446-V448 PolarHBondContact O-N 3.11Å; V448-A450 PolarHBondContact O-N 3.29Å | ||
| 449 | K | 52.4 | Low | 56.7 | Low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -65.1 | 115.4 | 168.5 | -72.1 | -178.2 | 179 | 178.3 | 0 | 108.4 | P447 N451 | P447-K449 PolarHBondContact O-N 2.81Å; K449-N451 PolarHBondContact O-N 3.06Å | ||
| 450 | A | 55.1 | Low | 56.2 | Low | 99 Ų | 99 | 148.2 Ų | 148.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -68 | 124.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | V448 | V448-A450 PolarHBondContact O-N 3.29Š| ||
| 451 | N | 53.3 | Low | 55.8 | Low | 232 Ų | 232 | 148.7 Ų | 148.7 | 100% | 1.241 | 82% | 0.82 | S | S | * | * | trans | -95 | 0 | 160.1 | -91.4 | -7.2 | 0 | 0 | 0 | 109.4 | K449 | K449-N451 PolarHBondContact O-N 3.06Š|
Retrieved 451 of 451 residues in 437.9 ms
(Link to these results)