| 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 | 43.3 | Very low | 35 | Very low | 249 Ų | 249 | 161.7 Ų | 161.7 | 100% | 1.227 | 82% | 0.817 | S | S | * | * | 0 | 112.7 | 0 | -80.3 | 177.7 | 170.1 | 0 | 0 | 109.4 | |||||
| 2 | A | 31.7 | Very low | 35.4 | Very low | 98 Ų | 98 | 161.1 Ų | 161.1 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -170.1 | 98.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | R | 29.1 | Very low | 35.9 | Very low | 248 Ų | 248 | 151.2 Ų | 151.2 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | 76.4 | 114.1 | 83.7 | -78.8 | -168.2 | 177.5 | -159.2 | 0.8 | 115.5 | |||||
| 4 | S | 28.6 | Very low | 36.7 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 66.7 | 110.2 | 144.2 | -172 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 5 | I | 38.7 | Very low | 37.5 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | -121.9 | 90.9 | 153.1 | -51.3 | 173.2 | 0 | 0 | 0 | 106.4 | ||||
| 6 | R | 30.3 | Very low | 38.3 | Very low | 225 Ų | 225 | 135.4 Ų | 135.4 | 85% | 0.849 | 69% | 0.69 | S | S | * | * | trans | -82.8 | 133.7 | 164 | -87.9 | -174.8 | -177.7 | 174.7 | 0.7 | 109 | ||||
| 7 | S | 30 | Very low | 38.9 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 68% | 0.675 | S | S | * | * | trans | 58.1 | 140.6 | 152.1 | 94 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 8 | E | 36.1 | Very low | 39.7 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | trans | 72.6 | 98.9 | 139.3 | -79.7 | 159.2 | 139 | 0 | 0 | 119.5 | T10 | E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 3.11Å; E8-T10 PolarHBondContact O-OG1 2.79Å | ||
| 9 | T | 36.4 | Very low | 40.2 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 89% | 0.89 | 65% | 0.649 | S | S | * | * | 53.2 | 36.6 | 124 | 45.4 | 0 | 0 | 0 | 0 | 118 | |||||
| 10 | T | 40.9 | Very low | 40.7 | Very low | 115 Ų | 115 | 125 Ų | 125 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -120 | 120.3 | 164.2 | 27.8 | 0 | 0 | 0 | 0 | 110.3 | E8 K12 | E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 3.11Å; E8-T10 PolarHBondContact O-OG1 2.79Å; T10-K12 PolarHBondContact O-N 3.15Å | ||
| 11 | R | 40.2 | Very low | 41 | Very low | 218 Ų | 218 | 123.5 Ų | 123.5 | 82% | 0.823 | 66% | 0.663 | S | S | * | * | trans | -47.1 | 98.2 | 173.7 | -69.6 | 178.5 | 179.3 | -168.2 | -0.3 | 109.9 | A13 | R11-A13 PolarHBondContact O-N 2.85Š| ||
| 12 | K | 39.2 | Very low | 41.6 | Very low | 154 Ų | 154 | 115.1 Ų | 115.1 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | trans | -73.2 | 101.2 | 171.9 | -78.4 | -173.3 | 177.8 | 179.8 | 0 | 108.4 | T10 A14 | T10-K12 PolarHBondContact O-N 3.15Å; K12-A14 PolarHBondContact O-N 3.08Å | ||
| 13 | A | 42.3 | Very low | 42.1 | Very low | 33 Ų | 33 | 117.5 Ų | 117.5 | 27% | 0.273 | 64% | 0.635 | S | S | . | * | trans | -51.1 | 104.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R11 F15 V28 | R11-A13 PolarHBondContact O-N 2.85Å; A13-F15 HydrophobicContact CB-CE2 4.26Å; A13-F15 PolarHBondContact O-N 2.74Å; A13-V28 HydrophobicContact CB-CG1 3.63Å | ||
| 14 | A | 46.4 | Very low | 43.2 | Very low | 46 Ų | 46 | 114.5 Ų | 114.5 | 38% | 0.38 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 109.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107 | K12 C16 | K12-A14 PolarHBondContact O-N 3.08Å; A14-C16 PolarHBondContact O-N 3.44Å |
| 15 | F | 48.7 | Very low | 44.3 | Very low | 134 Ų | 134 | 113 Ų | 113 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.8 | 116 | 168.5 | -81.2 | -95.7 | 0 | 0 | 0 | 107.8 | A13 V28 | A13-F15 HydrophobicContact CB-CE2 4.26Å; A13-F15 PolarHBondContact O-N 2.74Å; F15-V28 HydrophobicContact CD1-CG2 3.44Å; F15-V28 VanDerWaalsContact CD1-CG2 3.44Å; F15-V28 HydrophobicContact CD2-CG2 4.25Å; F15-V28 HydrophobicContact CE1-CG2 3.15Å; F15-V28 HydrophobicContact CE2-CG2 4.01Å; F15-V28 HydrophobicContact CG-CG2 4Å; F15-V28 HydrophobicContact CZ-CG2 3.46Å; F15-V28 VanDerWaalsContact CZ-CG2 3.46Å |
| 16 | C | 50.1 | Low | 44.9 | Very low | 21 Ų | 21 | 114.2 Ų | 114.2 | 14% | 0.142 | 61% | 0.605 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 112.8 | 169.6 | -66.5 | 0 | 0 | 0 | 0 | 108.2 | A14 S27 C36 | A14-C16 PolarHBondContact O-N 3.44Å; C16-S27 PolarHBondContact N-O 2.91Å; C16-S27 PolarHBondContact O-N 2.68Å; C16-C36 HydrophobicContact CB-CB 4.08Å; C16-C36 WeakPolarHBondContact CB-SG 3.35Å; C16-C36 WeakPolarHBondContact SG-CB 3.26Å; C16-C36 CovalentContact SG-SG 2.03Å; C16-C36 PolarHBondContact SG-SG 2.88Å |
| 17 | E | 49.3 | Very low | 45.9 | Very low | 93 Ų | 93 | 106 Ų | 106 | 44% | 0.435 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.5 | 165.4 | -79.8 | -174.9 | -177.4 | 0 | 0 | 107.9 | R26 | E17-R26 HydrophobicContact CG-CG 3.58Å; E17-R26 IonicContact OE1-CZ 3.11Å; E17-R26 IonicContact OE1-NE 2.71Å; E17-R26 PolarHBondContact OE1-NE 3.37Å; E17-R26 IonicContact OE1-NH2 2.7Å; E17-R26 PolarHBondContact OE1-NH2 2.8Å |
| 18 | T | 53 | Low | 46.7 | Very low | 45 Ų | 45 | 104.9 Ų | 104.9 | 28% | 0.276 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.8 | 170 | 45.7 | 0 | 0 | 0 | 0 | 109.2 | V25 | T18-V25 PolarHBondContact N-O 3.39Å; T18-V25 PolarHBondContact O-N 3.28Å |
| 19 | T | 48.6 | Very low | 47.4 | Very low | 94 Ų | 94 | 99.5 Ų | 99.5 | 58% | 0.577 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 105.9 | 177.1 | -33.2 | 0 | 0 | 0 | 0 | 108 | E23 R24 | T19-E23 WeakPolarHBondContact CA-O 3.36Å; T19-R24 HydrophobicContact CG2-CG 4.21Å |
| 20 | T | 51.9 | Low | 47.6 | Very low | 100 Ų | 100 | 101.3 Ų | 101.3 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.1 | 177.2 | 6.9 | 0 | 0 | 0 | 0 | 108.9 | G22 E23 | T20-G22 VanDerWaalsContact C-N 3.34Å; T20-G22 PolarHBondContact O-N 3.06Å; T20-E23 PolarHBondContact N-O 2.74Å; T20-E23 VanDerWaalsContact N-O 3.07Å; T20-E23 PolarHBondContact O-N 2.88Å |
| 21 | G | 46.1 | Very low | 47.7 | Very low | 94 Ų | 94 | 99.8 Ų | 99.8 | 97% | 0.969 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 26.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 22 | G | 54.9 | Low | 47.8 | Very low | 74 Ų | 74 | 94.2 Ų | 94.2 | 76% | 0.763 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.2 | -11.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | T20 | T20-G22 VanDerWaalsContact C-N 3.34Å; T20-G22 PolarHBondContact O-N 3.06Å |
| 23 | E | 42.2 | Very low | 48.1 | Very low | 147 Ų | 147 | 91.6 Ų | 91.6 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.9 | 179.4 | -155.6 | 173.6 | 165.2 | 0 | 0 | 110.7 | T19 T20 | T19-E23 WeakPolarHBondContact CA-O 3.36Å; T20-E23 PolarHBondContact N-O 2.74Å; T20-E23 VanDerWaalsContact N-O 3.07Å; T20-E23 PolarHBondContact O-N 2.88Å |
| 24 | R | 52.9 | Low | 48.3 | Very low | 186 Ų | 186 | 94.3 Ų | 94.3 | 70% | 0.702 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112.3 | 178.4 | -67.4 | -171.4 | -168.5 | -176.5 | 5.9 | 109.5 | T19 | T19-R24 HydrophobicContact CG2-CG 4.21Å |
| 25 | V | 51.1 | Low | 48.4 | Very low | 69 Ų | 69 | 95.7 Ų | 95.7 | 42% | 0.418 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.6 | 174.5 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | T18 | T18-V25 PolarHBondContact N-O 3.39Å; T18-V25 PolarHBondContact O-N 3.28Å |
| 26 | R | 51.9 | Low | 48.1 | Very low | 171 Ų | 171 | 91.4 Ų | 91.4 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.4 | 171.5 | -78.1 | 177.9 | 176.2 | -175.1 | -0.6 | 108.8 | E17 | E17-R26 HydrophobicContact CG-CG 3.58Å; E17-R26 IonicContact OE1-CZ 3.11Å; E17-R26 IonicContact OE1-NE 2.71Å; E17-R26 PolarHBondContact OE1-NE 3.37Å; E17-R26 IonicContact OE1-NH2 2.7Å; E17-R26 PolarHBondContact OE1-NH2 2.8Å |
| 27 | S | 50.9 | Low | 47.8 | Very low | 52 Ų | 52 | 94 Ų | 94 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.2 | 170 | 61.4 | 0 | 0 | 0 | 0 | 110 | C16 | C16-S27 PolarHBondContact N-O 2.91Å; C16-S27 PolarHBondContact O-N 2.68Å |
| 28 | V | 48.4 | Very low | 47.5 | Very low | 66 Ų | 66 | 91.9 Ų | 91.9 | 40% | 0.4 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 111.3 | 173 | 176.7 | 0 | 0 | 0 | 0 | 108 | A13 F15 | A13-V28 HydrophobicContact CB-CG1 3.63Å; F15-V28 HydrophobicContact CD1-CG2 3.44Å; F15-V28 VanDerWaalsContact CD1-CG2 3.44Å; F15-V28 HydrophobicContact CD2-CG2 4.25Å; F15-V28 HydrophobicContact CE1-CG2 3.15Å; F15-V28 HydrophobicContact CE2-CG2 4.01Å; F15-V28 HydrophobicContact CG-CG2 4Å; F15-V28 HydrophobicContact CZ-CG2 3.46Å; F15-V28 VanDerWaalsContact CZ-CG2 3.46Å |
| 29 | S | 50 | Low | 47.3 | Very low | 32 Ų | 32 | 93.8 Ų | 93.8 | 22% | 0.224 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.7 | 170.9 | 59.3 | 0 | 0 | 0 | 0 | 109.6 | S31 | S29-S31 PolarHBondContact O-N 3.4Å |
| 30 | W | 40.7 | Very low | 47.2 | Very low | 183 Ų | 183 | 94.6 Ų | 94.6 | 69% | 0.693 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -82.1 | 2.7 | 175.7 | -71.3 | 0.8 | 0 | 0 | 0 | 113.4 | ||
| 31 | S | 42.3 | Very low | 46.8 | Very low | 84 Ų | 84 | 100.4 Ų | 100.4 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -148.3 | 132.5 | 178.1 | -57 | 0 | 0 | 0 | 0 | 108 | S29 | S29-S31 PolarHBondContact O-N 3.4Š|
| 32 | L | 43.6 | Very low | 46.9 | Very low | 101 Ų | 101 | 105.6 Ų | 105.6 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | trans | 87.3 | 86.9 | 175.5 | -59.9 | 100.5 | 0 | 0 | 0 | 118.2 | P34 I35 | L32-P34 HydrophobicContact CB-CG 4.31Å; L32-P34 HydrophobicContact CD2-CG 4.25Å; L32-I35 HydrophobicContact CB-CB 4.31Å; L32-I35 HydrophobicContact CB-CD1 3.53Å; L32-I35 HydrophobicContact CB-CG1 3.56Å; L32-I35 HydrophobicContact CD1-CD1 3.86Å; L32-I35 HydrophobicContact CD2-CD1 3.91Å; L32-I35 HydrophobicContact CD2-CG1 3.93Å; L32-I35 HydrophobicContact CG-CD1 3.95Å; L32-I35 HydrophobicContact CG-CG1 4.25Å; L32-I35 PolarHBondContact O-N 3.45Å | ||
| 33 | A | 44.5 | Very low | 46.8 | Very low | 98 Ų | 98 | 107 Ų | 107 | 81% | 0.81 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -22.4 | 157 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 34 | P | 46.4 | Very low | 47.5 | Very low | 90 Ų | 90 | 105.3 Ų | 105.3 | 58% | 0.584 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -8.9 | 174.7 | 31.2 | -35.2 | 0 | 0 | 0 | 115.7 | L32 C36 A37 | L32-P34 HydrophobicContact CB-CG 4.31Å; L32-P34 HydrophobicContact CD2-CG 4.25Å; P34-C36 VanDerWaalsContact C-N 3.33Å; P34-C36 PolarHBondContact O-N 2.89Å; P34-A37 PolarHBondContact O-N 2.89Å |
| 35 | I | 49 | Very low | 47.6 | Very low | 76 Ų | 76 | 99.6 Ų | 99.6 | 39% | 0.39 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69 | -33.2 | -177.6 | -69.9 | 177 | 0 | 0 | 0 | 111.5 | L32 A37 G38 I39 | L32-I35 HydrophobicContact CB-CB 4.31Å; L32-I35 HydrophobicContact CB-CD1 3.53Å; L32-I35 HydrophobicContact CB-CG1 3.56Å; L32-I35 HydrophobicContact CD1-CD1 3.86Å; L32-I35 HydrophobicContact CD2-CD1 3.91Å; L32-I35 HydrophobicContact CD2-CG1 3.93Å; L32-I35 HydrophobicContact CG-CD1 3.95Å; L32-I35 HydrophobicContact CG-CG1 4.25Å; L32-I35 PolarHBondContact O-N 3.45Å; I35-A37 VanDerWaalsContact C-N 3.3Å; I35-A37 PolarHBondContact O-N 3.4Å; I35-G38 PolarHBondContact O-N 3.47Å; I35-I39 HydrophobicContact CG2-CD1 3.87Å; I35-I39 HydrophobicContact CG2-CG1 4.46Å; I35-I39 WeakPolarHBondContact O-CG1 3.49Å |
| 36 | C | 42.5 | Very low | 47.8 | Very low | 43 Ų | 43 | 98.9 Ų | 98.9 | 29% | 0.291 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.8 | -21 | -177.4 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | C16 P34 | C16-C36 HydrophobicContact CB-CB 4.08Å; C16-C36 WeakPolarHBondContact CB-SG 3.35Å; C16-C36 WeakPolarHBondContact SG-CB 3.26Å; C16-C36 CovalentContact SG-SG 2.03Å; C16-C36 PolarHBondContact SG-SG 2.88Å; P34-C36 VanDerWaalsContact C-N 3.33Å; P34-C36 PolarHBondContact O-N 2.89Å |
| 37 | A | 44.2 | Very low | 47.9 | Very low | 76 Ų | 76 | 95.7 Ų | 95.7 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -80.3 | -25.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P34 I35 | P34-A37 PolarHBondContact O-N 2.89Å; I35-A37 VanDerWaalsContact C-N 3.3Å; I35-A37 PolarHBondContact O-N 3.4Å |
| 38 | G | 42.3 | Very low | 48.4 | Very low | 49 Ų | 49 | 100.5 Ų | 100.5 | 51% | 0.505 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -84.6 | -15.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I35 | I35-G38 PolarHBondContact O-N 3.47Å |
| 39 | I | 48.2 | Very low | 48.5 | Very low | 85 Ų | 85 | 103 Ų | 103 | 44% | 0.436 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -84.8 | -28.2 | -177.3 | -59.7 | 165.6 | 0 | 0 | 0 | 111.1 | I35 R41 | I35-I39 HydrophobicContact CG2-CD1 3.87Å; I35-I39 HydrophobicContact CG2-CG1 4.46Å; I35-I39 WeakPolarHBondContact O-CG1 3.49Å; I39-R41 VanDerWaalsContact C-N 3.31Å; I39-R41 PolarHBondContact O-N 3.25Å |
| 40 | S | 46.3 | Very low | 48.8 | Very low | 111 Ų | 111 | 107.6 Ų | 107.6 | 78% | 0.776 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -5.8 | -172.2 | -150.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 41 | R | 45 | Very low | 49.6 | Very low | 222 Ų | 222 | 108.4 Ų | 108.4 | 84% | 0.838 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 16.8 | 179.3 | -63.5 | -168.5 | -169.9 | -150.5 | 3 | 114 | I39 P43 | I39-R41 VanDerWaalsContact C-N 3.31Å; I39-R41 PolarHBondContact O-N 3.25Å; R41-P43 WeakPolarHBondContact O-CD 3.41Å |
| 42 | R | 48.9 | Very low | 50.4 | Low | 202 Ų | 202 | 107.3 Ų | 107.3 | 76% | 0.762 | 59% | 0.585 | S | S | * | * | trans | -77.6 | 114.3 | 171.1 | -71.4 | -171.9 | -177.6 | -130 | 0.9 | 108.1 | ||||
| 43 | P | 51.5 | Low | 51 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | trans | -55.4 | 147.4 | 172.9 | 23.8 | -32.1 | 0 | 0 | 0 | 108.6 | R41 V45 | R41-P43 WeakPolarHBondContact O-CD 3.41Å; P43-V45 PolarHBondContact O-N 2.93Å | ||
| 44 | P | 56.7 | Low | 51.7 | Low | 111 Ų | 111 | 108.3 Ų | 108.3 | 72% | 0.721 | 57% | 0.571 | S | S | * | * | trans | -51.9 | 113 | -178.3 | 19.8 | -31.2 | 0 | 0 | 0 | 108.7 | P46 | P44-P46 WeakPolarHBondContact O-CD 3.49Š| ||
| 45 | V | 55.2 | Low | 52.5 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 40% | 0.4 | 57% | 0.569 | S | S | . | * | trans | -56.9 | 117 | 178.7 | -172.6 | 0 | 0 | 0 | 0 | 106.1 | P43 S47 K49 R50 | P43-V45 PolarHBondContact O-N 2.93Å; V45-S47 PolarHBondContact O-N 3.1Å; V45-K49 HydrophobicContact CG1-CB 3.59Å; V45-R50 HydrophobicContact CB-CG 3.96Å; V45-R50 HydrophobicContact CG1-CG 3.94Å; V45-R50 PolarHBondContact O-NE 3.34Å | ||
| 46 | P | 55.8 | Low | 53 | Low | 55 Ų | 55 | 111.1 Ų | 111.1 | 36% | 0.357 | 58% | 0.579 | S | S | . | * | trans | -52.8 | 140.5 | -178.2 | -27.4 | 34.5 | 0 | 0 | 0 | 109.8 | P44 Y48 K49 R50 | P44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-Y48 HydrophobicContact CB-CD1 3.35Å; P46-Y48 HydrophobicContact CB-CE1 3.07Å; P46-Y48 HydrophobicContact CB-CG 4.27Å; P46-Y48 HydrophobicContact CG-CD1 4.44Å; P46-Y48 HydrophobicContact CG-CE1 3.71Å; P46-Y48 PolarHBondContact O-N 2.88Å; P46-K49 PolarHBondContact O-N 3.41Å; P46-R50 PolarHBondContact O-N 2.93Å | ||
| 47 | S | 54.6 | Low | 53.9 | Low | 104 Ų | 104 | 114.5 Ų | 114.5 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -51.1 | -33.5 | -174.6 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | V45 R50 R51 | V45-S47 PolarHBondContact O-N 3.1Å; S47-R50 PolarHBondContact O-N 3.33Å; S47-R51 PolarHBondContact O-N 2.86Å; S47-R51 VanDerWaalsContact O-N 3.07Å |
| 48 | Y | 60.8 | Low | 54.8 | Low | 153 Ų | 153 | 118.3 Ų | 118.3 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63 | -41 | 174.6 | 73.1 | -97 | 0 | 0 | 0 | 113.3 | P46 R51 A52 | P46-Y48 HydrophobicContact CB-CD1 3.35Å; P46-Y48 HydrophobicContact CB-CE1 3.07Å; P46-Y48 HydrophobicContact CB-CG 4.27Å; P46-Y48 HydrophobicContact CG-CD1 4.44Å; P46-Y48 HydrophobicContact CG-CE1 3.71Å; P46-Y48 PolarHBondContact O-N 2.88Å; Y48-R51 PolarHBondContact O-N 2.86Å; Y48-A52 PolarHBondContact O-N 2.89Å; Y48-A52 VanDerWaalsContact O-N 3.09Å |
| 49 | K | 50.6 | Low | 55.7 | Low | 119 Ų | 119 | 120.2 Ų | 120.2 | 52% | 0.517 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.7 | -32.7 | 175.9 | -67.7 | -160.5 | 178.8 | -175.9 | 0 | 112 | V45 P46 R51 A52 A53 | V45-K49 HydrophobicContact CG1-CB 3.59Å; P46-K49 PolarHBondContact O-N 3.41Å; K49-R51 VanDerWaalsContact C-N 3.35Å; K49-A52 PolarHBondContact O-N 3.31Å; K49-A53 WeakPolarHBondContact O-CB 3.07Å; K49-A53 PolarHBondContact O-N 3.18Å |
| 50 | R | 55.2 | Low | 56.3 | Low | 127 Ų | 127 | 120 Ų | 120 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.9 | -37.6 | 173.9 | -62.8 | -170.7 | -166.9 | -152.3 | 2.1 | 111.9 | V45 P46 S47 R54 | V45-R50 HydrophobicContact CB-CG 3.96Å; V45-R50 HydrophobicContact CG1-CG 3.94Å; V45-R50 PolarHBondContact O-NE 3.34Å; P46-R50 PolarHBondContact O-N 2.93Å; S47-R50 PolarHBondContact O-N 3.33Å; R50-R54 WeakPolarHBondContact O-CG 3.38Å; R50-R54 PolarHBondContact O-N 3.37Å |
| 51 | R | 58.9 | Low | 57.2 | Low | 200 Ų | 200 | 117 Ų | 117 | 76% | 0.755 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.5 | -46.7 | 176.4 | -130.2 | -179.3 | -160.9 | -157.3 | 5 | 111 | S47 Y48 K49 A53 R54 V55 | S47-R51 PolarHBondContact O-N 2.86Å; S47-R51 VanDerWaalsContact O-N 3.07Å; Y48-R51 PolarHBondContact O-N 2.86Å; K49-R51 VanDerWaalsContact C-N 3.35Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 2.87Å; R51-R54 PolarHBondContact O-N 3.41Å; R51-V55 WeakPolarHBondContact O-CG2 3.07Å; R51-V55 PolarHBondContact O-N 3.49Å |
| 52 | A | 58.7 | Low | 58.2 | Low | 61 Ų | 61 | 108.9 Ų | 108.9 | 50% | 0.504 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.4 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y48 K49 V55 F56 | Y48-A52 PolarHBondContact O-N 2.89Å; Y48-A52 VanDerWaalsContact O-N 3.09Å; K49-A52 PolarHBondContact O-N 3.31Å; A52-V55 PolarHBondContact O-N 3.12Å; A52-F56 WeakPolarHBondContact O-CB 3.23Å; A52-F56 PolarHBondContact O-N 2.82Å |
| 53 | A | 56.6 | Low | 59 | Low | 50 Ų | 50 | 108.3 Ų | 108.3 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.8 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K49 R51 F56 L57 | K49-A53 WeakPolarHBondContact O-CB 3.07Å; K49-A53 PolarHBondContact O-N 3.18Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 2.87Å; A53-F56 PolarHBondContact O-N 3.18Å; A53-L57 WeakPolarHBondContact O-CB 3.36Å; A53-L57 VanDerWaalsContact O-CG 3.25Å; A53-L57 WeakPolarHBondContact O-CG 3.38Å; A53-L57 PolarHBondContact O-N 3.47Å |
| 54 | R | 59.5 | Low | 59.3 | Low | 170 Ų | 170 | 109 Ų | 109 | 64% | 0.642 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.9 | -39.9 | 175.5 | -75.7 | -175.4 | -141.5 | -176 | 3.9 | 112.5 | R50 R51 K58 | R50-R54 WeakPolarHBondContact O-CG 3.38Å; R50-R54 PolarHBondContact O-N 3.37Å; R51-R54 PolarHBondContact O-N 3.41Å; R54-K58 WeakPolarHBondContact O-CB 3.35Å; R54-K58 WeakPolarHBondContact O-CG 3.28Å; R54-K58 PolarHBondContact O-N 2.78Å |
| 55 | V | 62.4 | Low | 59.6 | Low | 88 Ų | 88 | 112.1 Ų | 112.1 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | R51 A52 L57 K58 T59 | R51-V55 WeakPolarHBondContact O-CG2 3.07Å; R51-V55 PolarHBondContact O-N 3.49Å; A52-V55 PolarHBondContact O-N 3.12Å; V55-L57 PolarHBondContact O-N 3.48Å; V55-K58 PolarHBondContact O-N 2.59Å; V55-K58 VanDerWaalsContact O-N 3.16Å; V55-T59 PolarHBondContact O-N 3.43Å; V55-T59 PolarHBondContact O-OG1 2.98Å |
| 56 | F | 58.2 | Low | 60.1 | Low | 137 Ų | 137 | 117.7 Ų | 117.7 | 60% | 0.601 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.7 | -45.2 | 177.1 | -171.9 | -99.9 | 0 | 0 | 0 | 112.2 | A52 A53 K58 T59 L60 | A52-F56 WeakPolarHBondContact O-CB 3.23Å; A52-F56 PolarHBondContact O-N 2.82Å; A53-F56 PolarHBondContact O-N 3.18Å; F56-K58 PolarHBondContact O-N 2.89Å; F56-T59 PolarHBondContact O-N 2.82Å; F56-L60 HydrophobicContact CD1-CD1 4.26Å; F56-L60 HydrophobicContact CE1-CD1 3.5Å; F56-L60 HydrophobicContact CZ-CD1 3.81Å; F56-L60 WeakPolarHBondContact O-CB 3.27Å; F56-L60 PolarHBondContact O-N 3.19Å |
| 57 | L | 61.8 | Low | 60.6 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 60% | 0.597 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.7 | -36.9 | 176.8 | -72.6 | 168.2 | 0 | 0 | 0 | 113 | A53 V55 S61 | A53-L57 WeakPolarHBondContact O-CB 3.36Å; A53-L57 VanDerWaalsContact O-CG 3.25Å; A53-L57 WeakPolarHBondContact O-CG 3.38Å; A53-L57 PolarHBondContact O-N 3.47Å; V55-L57 PolarHBondContact O-N 3.48Å; L57-S61 WeakPolarHBondContact O-CB 3.44Å; L57-S61 PolarHBondContact O-N 3.27Å; L57-S61 PolarHBondContact O-OG 2.83Å |
| 58 | K | 63.2 | Low | 60.6 | Low | 157 Ų | 157 | 116.6 Ų | 116.6 | 68% | 0.683 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -44.5 | 173 | -79.8 | -175.4 | 177.3 | -172.2 | 0 | 111.6 | R54 V55 F56 S61 A62 | R54-K58 WeakPolarHBondContact O-CB 3.35Å; R54-K58 WeakPolarHBondContact O-CG 3.28Å; R54-K58 PolarHBondContact O-N 2.78Å; V55-K58 PolarHBondContact O-N 2.59Å; V55-K58 VanDerWaalsContact O-N 3.16Å; F56-K58 PolarHBondContact O-N 2.89Å; K58-S61 WeakPolarHBondContact CA-OG 3.34Å; K58-S61 PolarHBondContact O-OG 2.85Å; K58-A62 PolarHBondContact O-N 3.36Å; K58-A62 VanDerWaalsContact O-N 3.07Å |
| 59 | T | 62.5 | Low | 60.7 | Low | 88 Ų | 88 | 113.2 Ų | 113.2 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 177.8 | -46.7 | 0 | 0 | 0 | 0 | 111.5 | V55 F56 A62 R63 | V55-T59 PolarHBondContact O-N 3.43Å; V55-T59 PolarHBondContact O-OG1 2.98Å; F56-T59 PolarHBondContact O-N 2.82Å; T59-A62 PolarHBondContact O-N 2.97Å; T59-R63 PolarHBondContact O-N 3.11Å |
| 60 | L | 59 | Low | 61.3 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 42% | 0.424 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 179.6 | -159.9 | 141.1 | 0 | 0 | 0 | 111.4 | F56 A62 R63 M64 | F56-L60 HydrophobicContact CD1-CD1 4.26Å; F56-L60 HydrophobicContact CE1-CD1 3.5Å; F56-L60 HydrophobicContact CZ-CD1 3.81Å; F56-L60 WeakPolarHBondContact O-CB 3.27Å; F56-L60 PolarHBondContact O-N 3.19Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.24Å; L60-R63 PolarHBondContact O-N 3.33Å; L60-M64 HydrophobicContact CD2-CG 4.04Å; L60-M64 WeakPolarHBondContact O-CB 3.36Å; L60-M64 VanDerWaalsContact O-CG 3.27Å; L60-M64 WeakPolarHBondContact O-CG 3.34Å; L60-M64 PolarHBondContact O-N 2.75Å |
| 61 | S | 65.9 | Low | 61.4 | Low | 49 Ų | 49 | 109.3 Ų | 109.3 | 34% | 0.343 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -36 | 172.9 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | L57 K58 R65 | L57-S61 WeakPolarHBondContact O-CB 3.44Å; L57-S61 PolarHBondContact O-N 3.27Å; L57-S61 PolarHBondContact O-OG 2.83Å; K58-S61 WeakPolarHBondContact CA-OG 3.34Å; K58-S61 PolarHBondContact O-OG 2.85Å; S61-R65 WeakPolarHBondContact O-CB 3.38Å; S61-R65 VanDerWaalsContact O-CG 3.26Å; S61-R65 WeakPolarHBondContact O-CG 3.28Å; S61-R65 PolarHBondContact O-N 3.06Å |
| 62 | A | 66.4 | Low | 61.4 | Low | 51 Ų | 51 | 105 Ų | 105 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K58 T59 L60 R65 R66 | K58-A62 PolarHBondContact O-N 3.36Å; K58-A62 VanDerWaalsContact O-N 3.07Å; T59-A62 PolarHBondContact O-N 2.97Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.24Å; A62-R65 PolarHBondContact O-N 2.94Å; A62-R66 PolarHBondContact O-N 2.9Å |
| 63 | R | 65.6 | Low | 61.4 | Low | 189 Ų | 189 | 106.6 Ų | 106.6 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.9 | -41 | 177.3 | -169.1 | 174.2 | -178.1 | 167.9 | -0.5 | 112.2 | T59 L60 R65 R66 L67 | T59-R63 PolarHBondContact O-N 3.11Å; L60-R63 PolarHBondContact O-N 3.33Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 2.77Å; R63-R66 PolarHBondContact O-N 3.48Å; R63-L67 HydrophobicContact CG-CD1 4.36Å; R63-L67 WeakPolarHBondContact O-CG 3.25Å; R63-L67 PolarHBondContact O-N 3.49Å |
| 64 | M | 56.7 | Low | 61.2 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -36 | 174.2 | -68.6 | -66.8 | -94.3 | 0 | 0 | 111.7 | L60 L67 A68 | L60-M64 HydrophobicContact CD2-CG 4.04Å; L60-M64 WeakPolarHBondContact O-CB 3.36Å; L60-M64 VanDerWaalsContact O-CG 3.27Å; L60-M64 WeakPolarHBondContact O-CG 3.34Å; L60-M64 PolarHBondContact O-N 2.75Å; M64-L67 PolarHBondContact O-N 3.42Å; M64-L67 HydrophobicContact SD-CD1 4.36Å; M64-A68 WeakPolarHBondContact O-CB 3.45Å; M64-A68 PolarHBondContact O-N 2.93Å |
| 65 | R | 63.6 | Low | 61.2 | Low | 178 Ų | 178 | 103.1 Ų | 103.1 | 67% | 0.672 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 172 | -78.5 | 176.7 | -173 | 161.6 | 1.2 | 112.3 | S61 A62 R63 A68 T69 | S61-R65 WeakPolarHBondContact O-CB 3.38Å; S61-R65 VanDerWaalsContact O-CG 3.26Å; S61-R65 WeakPolarHBondContact O-CG 3.28Å; S61-R65 PolarHBondContact O-N 3.06Å; A62-R65 PolarHBondContact O-N 2.94Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 2.77Å; R65-A68 PolarHBondContact O-N 3.2Å; R65-T69 PolarHBondContact O-N 3.29Å; R65-T69 PolarHBondContact O-OG1 2.75Å; R65-T69 VanDerWaalsContact O-OG1 3.06Å |
| 66 | R | 66.7 | Low | 60.3 | Low | 183 Ų | 183 | 101.5 Ų | 101.5 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | 174.9 | -80.9 | -169 | 177.9 | -176.4 | -0.9 | 112.2 | A62 R63 A68 T69 E70 | A62-R66 PolarHBondContact O-N 2.9Å; R63-R66 PolarHBondContact O-N 3.48Å; R66-A68 VanDerWaalsContact C-N 3.33Å; R66-A68 PolarHBondContact O-N 3.23Å; R66-T69 VanDerWaalsContact CA-OG1 3.31Å; R66-T69 WeakPolarHBondContact CA-OG1 3.41Å; R66-T69 PolarHBondContact O-N 2.99Å; R66-T69 PolarHBondContact O-OG1 3.34Å; R66-E70 WeakPolarHBondContact O-CB 3.48Å; R66-E70 WeakPolarHBondContact O-CG 3.24Å; R66-E70 PolarHBondContact O-N 2.92Å |
| 67 | L | 65.3 | Low | 59.8 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 45% | 0.45 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.9 | -73.1 | 164.1 | 0 | 0 | 0 | 111.8 | R63 M64 E70 A71 | R63-L67 HydrophobicContact CG-CD1 4.36Å; R63-L67 WeakPolarHBondContact O-CG 3.25Å; R63-L67 PolarHBondContact O-N 3.49Å; M64-L67 PolarHBondContact O-N 3.42Å; M64-L67 HydrophobicContact SD-CD1 4.36Å; L67-E70 PolarHBondContact O-N 3.48Å; L67-A71 VanDerWaalsContact O-CB 3.32Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 2.87Å |
| 68 | A | 55.9 | Low | 59.4 | Low | 50 Ų | 50 | 94.8 Ų | 94.8 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M64 R65 R66 N72 | M64-A68 WeakPolarHBondContact O-CB 3.45Å; M64-A68 PolarHBondContact O-N 2.93Å; R65-A68 PolarHBondContact O-N 3.2Å; R66-A68 VanDerWaalsContact C-N 3.33Å; R66-A68 PolarHBondContact O-N 3.23Å; A68-N72 WeakPolarHBondContact O-CB 3.47Å; A68-N72 VanDerWaalsContact O-CG 3.25Å; A68-N72 PolarHBondContact O-N 3.44Å; A68-N72 PolarHBondContact O-ND2 2.91Å |
| 69 | T | 62.9 | Low | 59.2 | Low | 81 Ų | 81 | 91 Ų | 91 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 175.2 | 45.7 | 0 | 0 | 0 | 0 | 112.4 | R65 R66 A71 N72 T73 | R65-T69 PolarHBondContact O-N 3.29Å; R65-T69 PolarHBondContact O-OG1 2.75Å; R65-T69 VanDerWaalsContact O-OG1 3.06Å; R66-T69 VanDerWaalsContact CA-OG1 3.31Å; R66-T69 WeakPolarHBondContact CA-OG1 3.41Å; R66-T69 PolarHBondContact O-N 2.99Å; R66-T69 PolarHBondContact O-OG1 3.34Å; T69-A71 VanDerWaalsContact C-N 3.34Å; T69-A71 PolarHBondContact O-N 3.42Å; T69-N72 PolarHBondContact O-N 3.25Å; T69-T73 WeakPolarHBondContact O-CG2 3.31Å; T69-T73 PolarHBondContact O-N 3.31Å; T69-T73 PolarHBondContact O-OG1 3.44Å |
| 70 | E | 62.8 | Low | 58.6 | Low | 112 Ų | 112 | 89.6 Ų | 89.6 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.7 | -74.4 | 168.9 | -164.4 | 0 | 0 | 111 | R66 L67 N72 T73 A74 | R66-E70 WeakPolarHBondContact O-CB 3.48Å; R66-E70 WeakPolarHBondContact O-CG 3.24Å; R66-E70 PolarHBondContact O-N 2.92Å; L67-E70 PolarHBondContact O-N 3.48Å; E70-N72 PolarHBondContact O-N 3Å; E70-T73 WeakPolarHBondContact CA-OG1 3.31Å; E70-T73 PolarHBondContact O-N 2.94Å; E70-T73 PolarHBondContact O-OG1 2.89Å; E70-A74 WeakPolarHBondContact O-CB 3.34Å; E70-A74 PolarHBondContact O-N 2.96Å |
| 71 | A | 56.8 | Low | 58.4 | Low | 52 Ų | 52 | 90.2 Ų | 90.2 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L67 T69 A74 T75 | L67-A71 VanDerWaalsContact O-CB 3.32Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 2.87Å; T69-A71 VanDerWaalsContact C-N 3.34Å; T69-A71 PolarHBondContact O-N 3.42Å; A71-A74 PolarHBondContact O-N 3.41Å; A71-T75 WeakPolarHBondContact O-CB 3.26Å; A71-T75 PolarHBondContact O-N 3.21Å; A71-T75 PolarHBondContact O-OG1 3.23Å |
| 72 | N | 58.9 | Low | 57.9 | Low | 111 Ų | 111 | 90.8 Ų | 90.8 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.7 | -38.5 | 175.8 | -74.9 | -21 | 0 | 0 | 0 | 112 | A68 T69 E70 T75 A76 | A68-N72 WeakPolarHBondContact O-CB 3.47Å; A68-N72 VanDerWaalsContact O-CG 3.25Å; A68-N72 PolarHBondContact O-N 3.44Å; A68-N72 PolarHBondContact O-ND2 2.91Å; T69-N72 PolarHBondContact O-N 3.25Å; E70-N72 PolarHBondContact O-N 3Å; N72-T75 PolarHBondContact O-N 3.09Å; N72-A76 VanDerWaalsContact O-CB 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.48Å; N72-A76 PolarHBondContact O-N 3.07Å |
| 73 | T | 58 | Low | 57.5 | Low | 94 Ų | 94 | 92.8 Ų | 92.8 | 58% | 0.577 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.5 | -37.2 | 175.6 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | T69 E70 A76 A77 | T69-T73 WeakPolarHBondContact O-CG2 3.31Å; T69-T73 PolarHBondContact O-N 3.31Å; T69-T73 PolarHBondContact O-OG1 3.44Å; E70-T73 WeakPolarHBondContact CA-OG1 3.31Å; E70-T73 PolarHBondContact O-N 2.94Å; E70-T73 PolarHBondContact O-OG1 2.89Å; T73-A76 PolarHBondContact O-N 3.01Å; T73-A77 WeakPolarHBondContact O-CB 3.43Å; T73-A77 PolarHBondContact O-N 3.46Å |
| 74 | A | 53.2 | Low | 56.9 | Low | 61 Ų | 61 | 86.7 Ų | 86.7 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E70 A71 A77 A78 | E70-A74 WeakPolarHBondContact O-CB 3.34Å; E70-A74 PolarHBondContact O-N 2.96Å; A71-A74 PolarHBondContact O-N 3.41Å; A74-A77 PolarHBondContact O-N 3.48Å; A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.9Å |
| 75 | T | 58.5 | Low | 56.7 | Low | 86 Ų | 86 | 83.9 Ų | 83.9 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 175.3 | -50.4 | 0 | 0 | 0 | 0 | 110.9 | A71 N72 A77 A78 T79 | A71-T75 WeakPolarHBondContact O-CB 3.26Å; A71-T75 PolarHBondContact O-N 3.21Å; A71-T75 PolarHBondContact O-OG1 3.23Å; N72-T75 PolarHBondContact O-N 3.09Å; T75-A77 PolarHBondContact O-N 2.95Å; T75-A78 PolarHBondContact O-N 2.96Å; T75-T79 PolarHBondContact O-N 2.9Å; T75-T79 PolarHBondContact O-OG1 2.89Å; T75-T79 VanDerWaalsContact O-OG1 3.11Å |
| 76 | A | 45.5 | Very low | 56.2 | Low | 54 Ų | 54 | 78.3 Ų | 78.3 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | N72 T73 T79 A80 | N72-A76 VanDerWaalsContact O-CB 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.48Å; N72-A76 PolarHBondContact O-N 3.07Å; T73-A76 PolarHBondContact O-N 3.01Å; A76-T79 VanDerWaalsContact CA-OG1 3.26Å; A76-T79 WeakPolarHBondContact CA-OG1 3.34Å; A76-T79 PolarHBondContact O-N 3.33Å; A76-T79 PolarHBondContact O-OG1 3.36Å; A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.34Å |
| 77 | A | 47 | Very low | 55.3 | Low | 54 Ų | 54 | 72.3 Ų | 72.3 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T73 A74 T75 A80 T81 | T73-A77 WeakPolarHBondContact O-CB 3.43Å; T73-A77 PolarHBondContact O-N 3.46Å; A74-A77 PolarHBondContact O-N 3.48Å; T75-A77 PolarHBondContact O-N 2.95Å; A77-A80 PolarHBondContact O-N 3.38Å; A77-T81 WeakPolarHBondContact O-CG2 3.32Å; A77-T81 PolarHBondContact O-N 2.91Å; A77-T81 PolarHBondContact O-OG1 2.82Å |
| 78 | A | 53.2 | Low | 54.6 | Low | 55 Ų | 55 | 70.9 Ų | 70.9 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A74 T75 T81 A82 | A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.9Å; T75-A78 PolarHBondContact O-N 2.96Å; A78-T81 WeakPolarHBondContact CA-OG1 3.26Å; A78-T81 PolarHBondContact O-OG1 3.5Å; A78-A82 VanDerWaalsContact O-CB 3.31Å; A78-A82 WeakPolarHBondContact O-CB 3.44Å; A78-A82 PolarHBondContact O-N 2.93Å |
| 79 | T | 58.1 | Low | 54.4 | Low | 78 Ų | 78 | 71.4 Ų | 71.4 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 173.2 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | T75 A76 A82 T83 | T75-T79 PolarHBondContact O-N 2.9Å; T75-T79 PolarHBondContact O-OG1 2.89Å; T75-T79 VanDerWaalsContact O-OG1 3.11Å; A76-T79 VanDerWaalsContact CA-OG1 3.26Å; A76-T79 WeakPolarHBondContact CA-OG1 3.34Å; A76-T79 PolarHBondContact O-N 3.33Å; A76-T79 PolarHBondContact O-OG1 3.36Å; T79-A82 PolarHBondContact O-N 2.97Å; T79-T83 WeakPolarHBondContact O-CB 3.41Å; T79-T83 PolarHBondContact O-N 3.32Å; T79-T83 PolarHBondContact O-OG1 3.5Å |
| 80 | A | 49.8 | Very low | 53.9 | Low | 58 Ų | 58 | 70.4 Ų | 70.4 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A76 A77 T83 A84 | A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.34Å; A77-A80 PolarHBondContact O-N 3.38Å; A80-T83 PolarHBondContact O-N 2.92Å; A80-A84 VanDerWaalsContact O-CB 3.28Å; A80-A84 WeakPolarHBondContact O-CB 3.32Å; A80-A84 PolarHBondContact O-N 3.16Å |
| 81 | T | 55.5 | Low | 53.5 | Low | 95 Ų | 95 | 69.7 Ų | 69.7 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68 | -38 | 175.1 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | A77 A78 A84 A85 | A77-T81 WeakPolarHBondContact O-CG2 3.32Å; A77-T81 PolarHBondContact O-N 2.91Å; A77-T81 PolarHBondContact O-OG1 2.82Å; A78-T81 WeakPolarHBondContact CA-OG1 3.26Å; A78-T81 PolarHBondContact O-OG1 3.5Å; T81-A84 PolarHBondContact O-N 3.09Å; T81-A85 VanDerWaalsContact O-CB 3.28Å; T81-A85 WeakPolarHBondContact O-CB 3.47Å; T81-A85 PolarHBondContact O-N 3.43Å |
| 82 | A | 55.9 | Low | 53.1 | Low | 60 Ų | 60 | 70.1 Ų | 70.1 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A78 T79 A85 A86 | A78-A82 VanDerWaalsContact O-CB 3.31Å; A78-A82 WeakPolarHBondContact O-CB 3.44Å; A78-A82 PolarHBondContact O-N 2.93Å; T79-A82 PolarHBondContact O-N 2.97Å; A82-A85 PolarHBondContact O-N 2.87Å; A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 3.46Å |
| 83 | T | 58.5 | Low | 52.5 | Low | 94 Ų | 94 | 67 Ų | 67 | 58% | 0.577 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.3 | -39.3 | 177.9 | -39 | 0 | 0 | 0 | 0 | 111.1 | T79 A80 A85 A86 A87 | T79-T83 WeakPolarHBondContact O-CB 3.41Å; T79-T83 PolarHBondContact O-N 3.32Å; T79-T83 PolarHBondContact O-OG1 3.5Å; A80-T83 PolarHBondContact O-N 2.92Å; T83-A85 VanDerWaalsContact C-N 3.35Å; T83-A86 PolarHBondContact O-N 3.35Å; T83-A87 WeakPolarHBondContact O-CB 3.44Å; T83-A87 PolarHBondContact O-N 2.96Å |
| 84 | A | 51.3 | Low | 52 | Low | 60 Ų | 60 | 66 Ų | 66 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A80 T81 A87 A88 | A80-A84 VanDerWaalsContact O-CB 3.28Å; A80-A84 WeakPolarHBondContact O-CB 3.32Å; A80-A84 PolarHBondContact O-N 3.16Å; T81-A84 PolarHBondContact O-N 3.09Å; A84-A87 PolarHBondContact O-N 3.23Å; A84-A88 WeakPolarHBondContact O-CB 3.45Å; A84-A88 PolarHBondContact O-N 2.96Å |
| 85 | A | 53.7 | Low | 51.8 | Low | 60 Ų | 60 | 66.3 Ų | 66.3 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | T81 A82 T83 A88 A89 | T81-A85 VanDerWaalsContact O-CB 3.28Å; T81-A85 WeakPolarHBondContact O-CB 3.47Å; T81-A85 PolarHBondContact O-N 3.43Å; A82-A85 PolarHBondContact O-N 2.87Å; T83-A85 VanDerWaalsContact C-N 3.35Å; A85-A88 PolarHBondContact O-N 3.01Å; A85-A89 VanDerWaalsContact O-CB 3.27Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.37Å |
| 86 | A | 53 | Low | 51.1 | Low | 60 Ų | 60 | 62.8 Ų | 62.8 | 50% | 0.496 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | A82 T83 A89 A90 | A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 3.46Å; T83-A86 PolarHBondContact O-N 3.35Å; A86-A89 PolarHBondContact O-N 3.31Å; A86-A90 WeakPolarHBondContact O-CB 3.37Å; A86-A90 PolarHBondContact O-N 3.21Å |
| 87 | A | 48.4 | Very low | 51.2 | Low | 57 Ų | 57 | 64.8 Ų | 64.8 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | T83 A84 A90 T91 | T83-A87 WeakPolarHBondContact O-CB 3.44Å; T83-A87 PolarHBondContact O-N 2.96Å; A84-A87 PolarHBondContact O-N 3.23Å; A87-A90 PolarHBondContact O-N 3.07Å; A87-T91 PolarHBondContact O-N 3.07Å; A87-T91 PolarHBondContact O-OG1 3.42Å; A87-T91 VanDerWaalsContact O-OG1 3.08Å |
| 88 | A | 50.5 | Low | 51.2 | Low | 57 Ų | 57 | 69.2 Ų | 69.2 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A84 A85 T91 A92 | A84-A88 WeakPolarHBondContact O-CB 3.45Å; A84-A88 PolarHBondContact O-N 2.96Å; A85-A88 PolarHBondContact O-N 3.01Å; A88-T91 WeakPolarHBondContact CA-OG1 3.46Å; A88-T91 PolarHBondContact O-N 2.84Å; A88-T91 PolarHBondContact O-OG1 3.42Å; A88-A92 WeakPolarHBondContact O-CB 3.5Å; A88-A92 PolarHBondContact O-N 3.01Å |
| 89 | A | 51.5 | Low | 50.9 | Low | 60 Ų | 60 | 72.7 Ų | 72.7 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -36 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A85 A86 A92 A93 | A85-A89 VanDerWaalsContact O-CB 3.27Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.37Å; A86-A89 PolarHBondContact O-N 3.31Å; A89-A92 PolarHBondContact O-N 3.01Å; A89-A93 VanDerWaalsContact O-CB 3.25Å; A89-A93 WeakPolarHBondContact O-CB 3.2Å; A89-A93 PolarHBondContact O-N 3.42Å |
| 90 | A | 52.7 | Low | 50.4 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A86 A87 A93 A94 | A86-A90 WeakPolarHBondContact O-CB 3.37Å; A86-A90 PolarHBondContact O-N 3.21Å; A87-A90 PolarHBondContact O-N 3.07Å; A90-A93 PolarHBondContact O-N 3.01Å; A90-A94 WeakPolarHBondContact O-CB 3.33Å; A90-A94 PolarHBondContact O-N 2.92Å |
| 91 | T | 52.7 | Low | 50.2 | Low | 97 Ų | 97 | 77.4 Ų | 77.4 | 60% | 0.595 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.5 | -35.2 | 173.7 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | A87 A88 A94 A95 | A87-T91 PolarHBondContact O-N 3.07Å; A87-T91 PolarHBondContact O-OG1 3.42Å; A87-T91 VanDerWaalsContact O-OG1 3.08Å; A88-T91 WeakPolarHBondContact CA-OG1 3.46Å; A88-T91 PolarHBondContact O-N 2.84Å; A88-T91 PolarHBondContact O-OG1 3.42Å; T91-A94 PolarHBondContact O-N 3.07Å; T91-A95 PolarHBondContact O-N 2.98Å; T91-A95 VanDerWaalsContact O-N 3.11Å |
| 92 | A | 49.1 | Very low | 49.6 | Very low | 62 Ų | 62 | 77.6 Ų | 77.6 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.2 | -31.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | A88 A89 G96 | A88-A92 WeakPolarHBondContact O-CB 3.5Å; A88-A92 PolarHBondContact O-N 3.01Å; A89-A92 PolarHBondContact O-N 3.01Å; A92-G96 VanDerWaalsContact O-CA 3.26Å; A92-G96 WeakPolarHBondContact O-CA 3.27Å; A92-G96 PolarHBondContact O-N 2.71Å |
| 93 | A | 46.2 | Very low | 49.1 | Very low | 44 Ų | 44 | 79.7 Ų | 79.7 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.3 | -36.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A89 A90 G96 V97 | A89-A93 VanDerWaalsContact O-CB 3.25Å; A89-A93 WeakPolarHBondContact O-CB 3.2Å; A89-A93 PolarHBondContact O-N 3.42Å; A90-A93 PolarHBondContact O-N 3.01Å; A93-G96 CarbonylContact O-C 3.4Å; A93-G96 PolarHBondContact O-N 2.03Å; A93-V97 WeakPolarHBondContact O-CB 3.39Å; A93-V97 WeakPolarHBondContact O-CG2 3.38Å; A93-V97 PolarHBondContact O-N 2.88Å |
| 94 | A | 47.7 | Very low | 48.5 | Very low | 73 Ų | 73 | 77.1 Ų | 77.1 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -37.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A90 T91 | A90-A94 WeakPolarHBondContact O-CB 3.33Å; A90-A94 PolarHBondContact O-N 2.92Å; T91-A94 PolarHBondContact O-N 3.07Å |
| 95 | A | 49.5 | Very low | 48.2 | Very low | 69 Ų | 69 | 78.6 Ų | 78.6 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.1 | -34 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | T91 | T91-A95 PolarHBondContact O-N 2.98Å; T91-A95 VanDerWaalsContact O-N 3.11Å |
| 96 | G | 43.3 | Very low | 47.7 | Very low | 12 Ų | 12 | 77.9 Ų | 77.9 | 12% | 0.124 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -78.1 | -24.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A92 A93 N98 L99 I100 | A92-G96 VanDerWaalsContact O-CA 3.26Å; A92-G96 WeakPolarHBondContact O-CA 3.27Å; A92-G96 PolarHBondContact O-N 2.71Å; A93-G96 CarbonylContact O-C 3.4Å; A93-G96 PolarHBondContact O-N 2.03Å; G96-N98 PolarHBondContact O-N 3.48Å; G96-N98 VanDerWaalsContact O-N 3.15Å; G96-L99 CarbonylContact O-C 3.54Å; G96-L99 WeakPolarHBondContact O-CA 3.4Å; G96-L99 PolarHBondContact O-N 3.22Å; G96-I100 VanDerWaalsContact O-CB 3.23Å; G96-I100 WeakPolarHBondContact O-CB 3.44Å; G96-I100 WeakPolarHBondContact O-CD1 3.36Å; G96-I100 WeakPolarHBondContact O-CG1 3.25Å; G96-I100 PolarHBondContact O-N 3.43Å |
| 97 | V | 47.8 | Very low | 47.5 | Very low | 95 Ų | 95 | 80.5 Ų | 80.5 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.9 | -23.5 | 176.3 | 165.7 | 0 | 0 | 0 | 0 | 111.3 | A93 L99 | A93-V97 WeakPolarHBondContact O-CB 3.39Å; A93-V97 WeakPolarHBondContact O-CG2 3.38Å; A93-V97 PolarHBondContact O-N 2.88Å; V97-L99 VanDerWaalsContact C-N 3.33Å |
| 98 | N | 47.2 | Very low | 47.3 | Very low | 147 Ų | 147 | 86.8 Ų | 86.8 | 79% | 0.786 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -75 | -15.5 | 168.8 | -102.5 | -38.2 | 0 | 0 | 0 | 114.4 | G96 | G96-N98 PolarHBondContact O-N 3.48Å; G96-N98 VanDerWaalsContact O-N 3.15Å |
| 99 | L | 47.4 | Very low | 47 | Very low | 129 Ų | 129 | 92.3 Ų | 92.3 | 68% | 0.675 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -119.2 | -14.2 | -178.6 | -73.4 | 166.2 | 0 | 0 | 0 | 114.3 | G96 V97 P102 | G96-L99 CarbonylContact O-C 3.54Å; G96-L99 WeakPolarHBondContact O-CA 3.4Å; G96-L99 PolarHBondContact O-N 3.22Å; V97-L99 VanDerWaalsContact C-N 3.33Å; L99-P102 WeakPolarHBondContact O-CD 3.49Å; L99-P102 WeakPolarHBondContact O-CG 3.21Å |
| 100 | I | 47.7 | Very low | 46.5 | Very low | 81 Ų | 81 | 97.2 Ų | 97.2 | 42% | 0.415 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -88.8 | -22.9 | -174.7 | -70 | 163.5 | 0 | 0 | 0 | 111.7 | G96 P102 L103 A104 | G96-I100 VanDerWaalsContact O-CB 3.23Å; G96-I100 WeakPolarHBondContact O-CB 3.44Å; G96-I100 WeakPolarHBondContact O-CD1 3.36Å; G96-I100 WeakPolarHBondContact O-CG1 3.25Å; G96-I100 PolarHBondContact O-N 3.43Å; I100-P102 VanDerWaalsContact C-N 3.28Å; I100-L103 PolarHBondContact O-N 2.7Å; I100-A104 HydrophobicContact CG2-CB 4.09Å; I100-A104 WeakPolarHBondContact O-CB 3.08Å; I100-A104 PolarHBondContact O-N 2.99Å |
| 101 | L | 44.4 | Very low | 46 | Very low | 154 Ų | 154 | 99.3 Ų | 99.3 | 81% | 0.806 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -54.6 | -38 | 175.3 | -128.3 | 81.2 | 0 | 0 | 0 | 113.2 | ||
| 102 | P | 43.6 | Very low | 45.2 | Very low | 99 Ų | 99 | 106.4 Ų | 106.4 | 64% | 0.643 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -86.9 | -21.6 | 171.3 | 28.9 | -32.6 | 0 | 0 | 0 | 115.1 | L99 I100 | L99-P102 WeakPolarHBondContact O-CD 3.49Å; L99-P102 WeakPolarHBondContact O-CG 3.21Å; I100-P102 VanDerWaalsContact C-N 3.28Å |
| 103 | L | 46 | Very low | 44.7 | Very low | 103 Ų | 103 | 109.1 Ų | 109.1 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -89 | -24.6 | -174.7 | -146 | 76.5 | 0 | 0 | 0 | 113.8 | I100 A105 G106 F107 | I100-L103 PolarHBondContact O-N 2.7Å; L103-A105 PolarHBondContact O-N 3.05Å; L103-G106 PolarHBondContact O-N 2.84Å; L103-G106 VanDerWaalsContact O-N 3.1Å; L103-F107 HydrophobicContact CD2-CD2 4.23Å; L103-F107 HydrophobicContact CD2-CE2 4Å; L103-F107 HydrophobicContact CG-CD2 4.16Å; L103-F107 HydrophobicContact CG-CE2 4.27Å; L103-F107 PolarHBondContact O-N 2.92Å |
| 104 | A | 44.9 | Very low | 44.5 | Very low | 41 Ų | 41 | 111.9 Ų | 111.9 | 34% | 0.339 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.5 | -24.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I100 G106 F108 | I100-A104 HydrophobicContact CG2-CB 4.09Å; I100-A104 WeakPolarHBondContact O-CB 3.08Å; I100-A104 PolarHBondContact O-N 2.99Å; A104-G106 VanDerWaalsContact C-N 3.27Å; A104-G106 PolarHBondContact O-N 3.23Å; A104-F108 WeakPolarHBondContact O-CD2 3.08Å |
| 105 | A | 45.3 | Very low | 44.1 | Very low | 90 Ų | 90 | 113.8 Ų | 113.8 | 74% | 0.744 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.1 | -22.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L103 | L103-A105 PolarHBondContact O-N 3.05Å |
| 106 | G | 43 | Very low | 43.8 | Very low | 45 Ų | 45 | 117.9 Ų | 117.9 | 46% | 0.464 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -95.8 | -31.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L103 A104 | L103-G106 PolarHBondContact O-N 2.84Å; L103-G106 VanDerWaalsContact O-N 3.1Å; A104-G106 VanDerWaalsContact C-N 3.27Å; A104-G106 PolarHBondContact O-N 3.23Å |
| 107 | F | 48 | Very low | 43.9 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 51% | 0.509 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -81.3 | -22.5 | -172.5 | -99.8 | -90.2 | 0 | 0 | 0 | 115.1 | L103 Q109 Q110 T111 | L103-F107 HydrophobicContact CD2-CD2 4.23Å; L103-F107 HydrophobicContact CD2-CE2 4Å; L103-F107 HydrophobicContact CG-CD2 4.16Å; L103-F107 HydrophobicContact CG-CE2 4.27Å; L103-F107 PolarHBondContact O-N 2.92Å; F107-Q109 PolarHBondContact O-N 3.3Å; F107-Q109 VanDerWaalsContact O-N 3.12Å; F107-Q110 PolarHBondContact O-N 3.21Å; F107-T111 HydrophobicContact CD1-CG2 4.46Å |
| 108 | F | 45.4 | Very low | 43.6 | Very low | 188 Ų | 188 | 124.4 Ų | 124.4 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -6.8 | 178 | -85.8 | -76.8 | 0 | 0 | 0 | 114.2 | A104 | A104-F108 WeakPolarHBondContact O-CD2 3.08Š|
| 109 | Q | 43.1 | Very low | 43.2 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -10.5 | 174 | -80.3 | -75.4 | -5.4 | 0 | 0 | 114.2 | F107 | F107-Q109 PolarHBondContact O-N 3.3Å; F107-Q109 VanDerWaalsContact O-N 3.12Å |
| 110 | Q | 42.1 | Very low | 42.7 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | -9.8 | -167 | -108.3 | 176.1 | -5.8 | 0 | 0 | 117.3 | F107 | F107-Q110 PolarHBondContact O-N 3.21Š|
| 111 | T | 42.2 | Very low | 42.5 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | trans | -107.2 | 64.9 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | F107 | F107-T111 HydrophobicContact CD1-CG2 4.46Š| ||
| 112 | R | 34.6 | Very low | 42.3 | Very low | 246 Ų | 246 | 128.7 Ų | 128.7 | 93% | 0.928 | 72% | 0.722 | S | S | * | * | trans | -112.1 | 109.7 | 140.2 | -85.5 | -174.8 | 175.6 | 173.8 | 0.2 | 107.4 | ||||
| 113 | P | 39.6 | Very low | 42.3 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -128.5 | 136.5 | 134.2 | 20.3 | -2.3 | 0 | 0 | 0 | 112.7 | S115 | P113-S115 PolarHBondContact O-N 3.33Š| ||
| 114 | A | 42.2 | Very low | 42.2 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | -54.3 | 116.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 115 | S | 39.1 | Very low | 41.9 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -175.4 | 129.3 | 148.2 | -78.5 | 0 | 0 | 0 | 0 | 107.6 | P113 | P113-S115 PolarHBondContact O-N 3.33Š| ||
| 116 | L | 44 | Very low | 42 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | 89.3 | 46.5 | -176 | -57.3 | 141.1 | 0 | 0 | 0 | 116 | N118 | L116-N118 PolarHBondContact O-N 3.24Š| ||
| 117 | A | 43.6 | Very low | 41.8 | Very low | 104 Ų | 104 | 142 Ų | 142 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -70.1 | 15.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 118 | N | 42.4 | Very low | 41.9 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -142.3 | 74.3 | -173.3 | -82.5 | -16.4 | 0 | 0 | 0 | 111.8 | L116 | L116-N118 PolarHBondContact O-N 3.24Š| ||
| 119 | Q | 39.3 | Very low | 41.7 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -171.5 | 21.4 | 150 | -110.9 | 164.2 | 16.2 | 0 | 0 | 116.3 | P121 | Q119-P121 WeakPolarHBondContact O-CD 3.21Š| ||
| 120 | F | 37.2 | Very low | 41.8 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -81.1 | 117.2 | 155.2 | -68.8 | -76.3 | 0 | 0 | 0 | 108.1 | ||||
| 121 | P | 42.7 | Very low | 41.8 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | -104 | 104.7 | 119.7 | 28.1 | -30.3 | 0 | 0 | 0 | 108 | Q119 T123 | Q119-P121 WeakPolarHBondContact O-CD 3.21Å; P121-T123 PolarHBondContact O-N 3.42Å; P121-T123 VanDerWaalsContact O-N 3.09Å | |||
| 122 | T | 39.6 | Very low | 41.8 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -34.4 | 107.8 | 152.3 | 38 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 123 | T | 44.7 | Very low | 42.2 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -139.6 | 111.3 | 145.1 | 38.7 | 0 | 0 | 0 | 0 | 109.2 | P121 | P121-T123 PolarHBondContact O-N 3.42Å; P121-T123 VanDerWaalsContact O-N 3.09Å | ||
| 124 | T | 44.1 | Very low | 42.4 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -36.9 | 124.7 | 163.9 | 36 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 125 | A | 38.6 | Very low | 42.4 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | 161.9 | 125.1 | 111.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 126 | P | 46.3 | Very low | 42.6 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -79 | 114.2 | 154.8 | 31 | -26.7 | 0 | 0 | 0 | 108.3 | V128 | P126-V128 PolarHBondContact O-N 3.46Š| ||
| 127 | F | 39.1 | Very low | 42.5 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -73.1 | 105.1 | 161.7 | 36.1 | -90.3 | 0 | 0 | 0 | 107.8 | ||||
| 128 | V | 49 | Very low | 42.4 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 118.6 | 160.5 | 178.6 | 0 | 0 | 0 | 0 | 106.5 | P126 F130 | P126-V128 PolarHBondContact O-N 3.46Å; V128-F130 HydrophobicContact CG1-CD2 3.68Å; V128-F130 HydrophobicContact CG1-CE2 3.55Å; V128-F130 HydrophobicContact CG1-CZ 4.33Å | ||
| 129 | V | 42.6 | Very low | 42.4 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -84.1 | 114 | 167.9 | 178.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 130 | F | 45.7 | Very low | 42.7 | Very low | 258 Ų | 258 | 143.3 Ų | 143.3 | 100% | 1.132 | 80% | 0.799 | S | S | * | * | trans | -100.2 | 0 | 161.1 | -84.5 | -78.6 | 0 | 0 | 0 | 108.8 | V128 | V128-F130 HydrophobicContact CG1-CD2 3.68Å; V128-F130 HydrophobicContact CG1-CE2 3.55Å; V128-F130 HydrophobicContact CG1-CZ 4.33Å |
Retrieved 130 of 130 residues in 223.1 ms
(Link to these results)