| 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 | 27.9 | Very low | 31.3 | Very low | 245 Ų | 245 | 135.8 Ų | 135.8 | 100% | 1.207 | 75% | 0.752 | S | S | * | * | 0 | 101.7 | 0 | -67.8 | 172.7 | -173 | 0 | 0 | 107.5 | |||||
| 2 | V | 23.4 | Very low | 31.5 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | -125.8 | 107.5 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 106.1 | K4 | V2-K4 PolarHBondContact O-N 3.01Š| ||
| 3 | S | 24.8 | Very low | 31.6 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -72.6 | 109.5 | 177.7 | -159.6 | 0 | 0 | 0 | 0 | 107.9 | A5 | S3-A5 PolarHBondContact O-N 3.39Å; S3-A5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | K | 36.1 | Very low | 31.9 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 65% | 0.648 | 70% | 0.702 | S | S | * | * | trans | -63.5 | 109.8 | 178.2 | -80.1 | -173.1 | 171.3 | -165.2 | 0 | 109.3 | V2 R6 M110 I111 | V2-K4 PolarHBondContact O-N 3.01Å; K4-R6 PolarHBondContact O-N 3.07Å; K4-M110 PolarHBondContact NZ-O 3.34Å; K4-I111 PolarHBondContact NZ-OXT 3.05Å | ||
| 5 | A | 28.1 | Very low | 32.1 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | -66.8 | 123.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | S3 | S3-A5 PolarHBondContact O-N 3.39Å; S3-A5 VanDerWaalsContact O-N 3.14Å | ||
| 6 | R | 30.1 | Very low | 31.8 | Very low | 213 Ų | 213 | 131.4 Ų | 131.4 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -95 | 102.5 | -178.3 | -161.9 | -179.3 | -163.3 | -177.7 | 5.8 | 109.1 | K4 | K4-R6 PolarHBondContact O-N 3.07Š| ||
| 7 | A | 34.2 | Very low | 31.7 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | trans | -85.3 | 110.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 8 | R | 33.8 | Very low | 31.4 | Very low | 222 Ų | 222 | 129.8 Ų | 129.8 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | trans | -92.8 | 106.6 | 166.7 | -74.9 | 174.7 | 98.4 | -179.1 | 6.1 | 107.9 | ||||
| 9 | G | 36.2 | Very low | 31.2 | Very low | 55 Ų | 55 | 130.2 Ų | 130.2 | 57% | 0.567 | 72% | 0.722 | S | S | * | * | trans | -99.5 | 135.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | T | 35.2 | Very low | 31 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -108.7 | 114.2 | 166.8 | -29.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 11 | V | 34.4 | Very low | 30.8 | Very low | 58 Ų | 58 | 129.6 Ų | 129.6 | 35% | 0.352 | 73% | 0.73 | S | S | . | * | trans | -99.3 | 112.3 | 170.8 | -179 | 0 | 0 | 0 | 0 | 106.9 | L13 | V11-L13 HydrophobicContact CG1-CG 4.32Š| ||
| 12 | S | 33.7 | Very low | 30.8 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 53% | 0.531 | 71% | 0.714 | S | S | . | * | trans | -94.6 | 106 | 170 | -64.7 | 0 | 0 | 0 | 0 | 107.8 | P14 | S12-P14 WeakPolarHBondContact O-CD 3.37Š| ||
| 13 | L | 33.1 | Very low | 31 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 38% | 0.377 | 71% | 0.707 | S | S | . | * | trans | -83.8 | 114.9 | 166.4 | -73.3 | 162.9 | 0 | 0 | 0 | 107.6 | V11 L15 | V11-L13 HydrophobicContact CG1-CG 4.32Å; L13-L15 PolarHBondContact O-N 2.83Å | ||
| 14 | P | 36 | Very low | 31.1 | Very low | 100 Ų | 100 | 121 Ų | 121 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | trans | -64.2 | 127.8 | 164.2 | 26.5 | -29.3 | 0 | 0 | 0 | 107.5 | S12 W16 | S12-P14 WeakPolarHBondContact O-CD 3.37Å; P14-W16 PolarHBondContact O-N 3.16Å | ||
| 15 | L | 34.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | trans | -56.3 | 105.2 | 166.7 | -77.9 | 165 | 0 | 0 | 0 | 106.9 | L13 N17 | L13-L15 PolarHBondContact O-N 2.83Å; L15-N17 PolarHBondContact O-N 2.82Å | ||
| 16 | W | 27.9 | Very low | 30.6 | Very low | 244 Ų | 244 | 125.4 Ų | 125.4 | 92% | 0.924 | 71% | 0.712 | S | S | * | * | trans | -70.2 | 85.1 | 173.3 | -154.5 | -54.8 | 0 | 0 | 0 | 107 | P14 | P14-W16 PolarHBondContact O-N 3.16Š| ||
| 17 | N | 29.4 | Very low | 30.4 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | trans | -150.6 | 91.1 | 164.9 | -96 | -20.1 | 0 | 0 | 0 | 109.4 | L15 | L15-N17 PolarHBondContact O-N 2.82Š| ||
| 18 | A | 26 | Very low | 30 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | trans | 48.4 | 85.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 19 | V | 28.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -146.9 | 114.6 | 139.7 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | S21 | V19-S21 PolarHBondContact O-N 3.27Š| ||
| 20 | T | 26.6 | Very low | 29.3 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | -49.2 | 111.3 | 164.6 | 42.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 21 | S | 27.2 | Very low | 29 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -155.7 | 115.9 | 157.5 | -164.1 | 0 | 0 | 0 | 0 | 110.9 | V19 A23 | V19-S21 PolarHBondContact O-N 3.27Å; S21-A23 PolarHBondContact O-N 2.88Å | ||
| 22 | S | 27.5 | Very low | 28.7 | Very low | 125 Ų | 125 | 135 Ų | 135 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -59.1 | 99.3 | 172.8 | 43.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | A | 27.7 | Very low | 28.5 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -137 | 137.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S21 | S21-A23 PolarHBondContact O-N 2.88Š| ||
| 24 | P | 27.7 | Very low | 28.6 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -89.7 | 129.1 | -159.2 | 32.2 | -29.5 | 0 | 0 | 0 | 114.5 | ||||
| 25 | L | 26.7 | Very low | 28.2 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | 36.4 | 94.1 | 137.9 | -74.5 | 152.6 | 0 | 0 | 0 | 118.7 | ||||
| 26 | Q | 26.4 | Very low | 28.4 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -142.3 | 124.1 | 142.2 | -76.4 | -166.1 | -26.7 | 0 | 0 | 111.2 | ||||
| 27 | Q | 27 | Very low | 28.8 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | 71.7 | 88.2 | 165.8 | -66.5 | -178.9 | -26 | 0 | 0 | 118.9 | ||||
| 28 | R | 24.8 | Very low | 29.1 | Very low | 222 Ų | 222 | 137.3 Ų | 137.3 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -65 | 124.6 | 162.2 | -73.7 | 173.3 | 165 | 176.7 | -5.9 | 111.2 | ||||
| 29 | T | 29.7 | Very low | 29.8 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -119.2 | 99.3 | 151.4 | 2.8 | 0 | 0 | 0 | 0 | 107.3 | C31 | T29-C31 PolarHBondContact O-N 3.33Š| ||
| 30 | T | 26.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -74 | 110.4 | -179.4 | -40.3 | 0 | 0 | 0 | 0 | 108.9 | L32 | T30-L32 PolarHBondContact O-N 3Š| ||
| 31 | C | 27.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -76.2 | 116.1 | 167.7 | -71.2 | 0 | 0 | 0 | 0 | 108.5 | T29 E33 | T29-C31 PolarHBondContact O-N 3.33Å; C31-E33 PolarHBondContact O-N 3.23Å | ||
| 32 | L | 29.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | -63.5 | 112.1 | 173.3 | -78.7 | 154.9 | 0 | 0 | 0 | 110 | T30 D34 R54 | T30-L32 PolarHBondContact O-N 3Å; L32-D34 PolarHBondContact O-N 3.32Å; L32-R54 PolarHBondContact O-NH1 2.7Å; L32-R54 VanDerWaalsContact O-NH1 3.07Å | ||
| 33 | E | 28.6 | Very low | 32.3 | Very low | 195 Ų | 195 | 130.5 Ų | 130.5 | 91% | 0.911 | 70% | 0.702 | S | S | * | * | trans | -67.1 | 74.2 | 161.4 | -87.4 | -175.7 | 83.8 | 0 | 0 | 109.8 | C31 | C31-E33 PolarHBondContact O-N 3.23Š| ||
| 34 | D | 35.3 | Very low | 33 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 55% | 0.551 | 70% | 0.703 | S | S | * | * | trans | -97.8 | 128.3 | 167.4 | -119.7 | -80.9 | 0 | 0 | 0 | 109.9 | L32 W36 R54 | L32-D34 PolarHBondContact O-N 3.32Å; D34-W36 VanDerWaalsContact O-CD1 3.27Å; D34-R54 VanDerWaalsContact O-CZ 3.23Å; D34-R54 PolarHBondContact O-NH1 3.35Å; D34-R54 PolarHBondContact O-NH2 3.22Å | ||
| 35 | Q | 28.3 | Very low | 33.5 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 86% | 0.864 | 70% | 0.7 | S | S | * | * | trans | -74.3 | 128.5 | -169.5 | -65.9 | 169.5 | 25.8 | 0 | 0 | 111.6 | ||||
| 36 | W | 38.6 | Very low | 34.1 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 58% | 0.576 | 69% | 0.686 | S | S | * | * | trans | -124.5 | 131 | 172.9 | -70.9 | 73.5 | 0 | 0 | 0 | 110.5 | D34 V38 W61 | D34-W36 VanDerWaalsContact O-CD1 3.27Å; W36-V38 PolarHBondContact O-N 3.4Å; W36-W61 AromaticContact CH2-CH2 3.31Å; W36-W61 HydrophobicContact CH2-CH2 3.31Å; W36-W61 AromaticContact CH2-CZ2 3.35Å; W36-W61 HydrophobicContact CH2-CZ2 3.35Å; W36-W61 HydrophobicContact CH2-CZ3 4.01Å; W36-W61 HydrophobicContact CZ2-CH2 4.27Å; W36-W61 HydrophobicContact CZ3-CH2 4.01Å; W36-W61 AromaticContact CZ3-CZ2 3.77Å; W36-W61 HydrophobicContact CZ3-CZ2 3.77Å | ||
| 37 | P | 35.6 | Very low | 35 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | trans | -71.1 | 115.5 | 178 | 28 | -31.9 | 0 | 0 | 0 | 109.6 | P39 | P37-P39 WeakPolarHBondContact O-CD 3.39Š| ||
| 38 | V | 36.6 | Very low | 35.7 | Very low | 42 Ų | 42 | 124.3 Ų | 124.3 | 26% | 0.255 | 65% | 0.647 | S | S | . | * | trans | -73.9 | 125.2 | 175 | -173.4 | 0 | 0 | 0 | 0 | 109 | W36 A40 I42 R47 Q51 | W36-V38 PolarHBondContact O-N 3.4Å; V38-A40 PolarHBondContact O-N 3.22Å; V38-I42 HydrophobicContact CG1-CD1 4.27Å; V38-R47 HydrophobicContact CB-CG 4.12Å; V38-R47 HydrophobicContact CG1-CG 3.3Å; V38-R47 HydrophobicContact CG2-CG 4.5Å; V38-Q51 HydrophobicContact CG2-CG 4.1Å | ||
| 39 | P | 38.9 | Very low | 36.4 | Very low | 72 Ų | 72 | 116.6 Ų | 116.6 | 47% | 0.468 | 62% | 0.622 | S | S | . | * | trans | -55.3 | 131.9 | 176.3 | -22.4 | 29.4 | 0 | 0 | 0 | 111.1 | P37 E41 I42 | P37-P39 WeakPolarHBondContact O-CD 3.39Å; P39-E41 PolarHBondContact O-N 3.07Å; P39-I42 HydrophobicContact CB-CD1 4.17Å; P39-I42 HydrophobicContact CB-CG1 4.23Å; P39-I42 HydrophobicContact CG-CD1 3.95Å; P39-I42 PolarHBondContact O-N 3.33Å | ||
| 40 | A | 40.3 | Very low | 36.8 | Very low | 83 Ų | 83 | 112.4 Ų | 112.4 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -21.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V38 I42 R47 | V38-A40 PolarHBondContact O-N 3.22Å; A40-I42 VanDerWaalsContact C-N 3.29Å; A40-I42 PolarHBondContact O-N 3.2Å; A40-R47 PolarHBondContact O-NH2 2.91Å |
| 41 | E | 42.5 | Very low | 37.4 | Very low | 190 Ų | 190 | 112.2 Ų | 112.2 | 89% | 0.888 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -1.7 | -176 | -61.2 | 178.3 | 94.1 | 0 | 0 | 114.4 | P39 | P39-E41 PolarHBondContact O-N 3.07Š|
| 42 | I | 39.9 | Very low | 38.2 | Very low | 51 Ų | 51 | 110.5 Ų | 110.5 | 26% | 0.262 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -88.8 | 127.9 | 179.1 | -63.3 | -178.4 | 0 | 0 | 0 | 109.9 | V38 P39 A40 L46 R47 | V38-I42 HydrophobicContact CG1-CD1 4.27Å; P39-I42 HydrophobicContact CB-CD1 4.17Å; P39-I42 HydrophobicContact CB-CG1 4.23Å; P39-I42 HydrophobicContact CG-CD1 3.95Å; P39-I42 PolarHBondContact O-N 3.33Å; A40-I42 VanDerWaalsContact C-N 3.29Å; A40-I42 PolarHBondContact O-N 3.2Å; I42-L46 HydrophobicContact CG2-CB 3.19Å; I42-L46 HydrophobicContact CG2-CD1 4.38Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-R47 PolarHBondContact O-NE 3.37Å |
| 43 | S | 39.3 | Very low | 38.7 | Very low | 62 Ų | 62 | 107.8 Ų | 107.8 | 43% | 0.434 | 55% | 0.554 | S | S | . | * | trans | -53 | 146.7 | 176 | 68.3 | 0 | 0 | 0 | 0 | 110.9 | E45 L46 R47 | S43-E45 PolarHBondContact O-N 2.67Å; S43-L46 CarbonylContact O-C 3.53Å; S43-L46 WeakPolarHBondContact O-CA 3.44Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-L46 WeakPolarHBondContact OG-CD1 3.45Å; S43-L46 WeakPolarHBondContact OG-CG 3.26Å; S43-L46 PolarHBondContact OG-N 3.34Å; S43-R47 PolarHBondContact O-N 2.8Å | ||
| 44 | S | 44.3 | Very low | 39.2 | Very low | 104 Ų | 104 | 104.8 Ų | 104.8 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -49.8 | -36.3 | -179.2 | 39.6 | 0 | 0 | 0 | 0 | 113.1 | R47 W48 | S44-R47 VanDerWaalsContact O-CB 3.31Å; S44-R47 WeakPolarHBondContact O-CB 3.46Å; S44-R47 PolarHBondContact O-N 3.48Å; S44-W48 PolarHBondContact O-N 3.23Å |
| 45 | E | 37.6 | Very low | 39.2 | Very low | 152 Ų | 152 | 104.5 Ų | 104.5 | 71% | 0.71 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.3 | -43.2 | 176.3 | -132.1 | 171.2 | 95.2 | 0 | 0 | 112.7 | S43 R47 I49 | S43-E45 PolarHBondContact O-N 2.67Å; E45-R47 VanDerWaalsContact C-N 3.3Å; E45-I49 WeakPolarHBondContact O-CD1 3Å; E45-I49 WeakPolarHBondContact O-CG1 3.31Å; E45-I49 PolarHBondContact O-N 3.39Å |
| 46 | L | 38.8 | Very low | 39.7 | Very low | 94 Ų | 94 | 100.4 Ų | 100.4 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.4 | -24.5 | 175.4 | -75.8 | 168.6 | 0 | 0 | 0 | 112.3 | I42 S43 I49 A50 | I42-L46 HydrophobicContact CG2-CB 3.19Å; I42-L46 HydrophobicContact CG2-CD1 4.38Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; S43-L46 CarbonylContact O-C 3.53Å; S43-L46 WeakPolarHBondContact O-CA 3.44Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-L46 WeakPolarHBondContact OG-CD1 3.45Å; S43-L46 WeakPolarHBondContact OG-CG 3.26Å; S43-L46 PolarHBondContact OG-N 3.34Å; L46-I49 PolarHBondContact O-N 2.99Å; L46-A50 VanDerWaalsContact O-CB 3.26Å; L46-A50 WeakPolarHBondContact O-CB 3.36Å; L46-A50 PolarHBondContact O-N 2.88Å |
| 47 | R | 44.5 | Very low | 39.7 | Very low | 97 Ų | 97 | 97.4 Ų | 97.4 | 37% | 0.366 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 175 | -123.6 | 178.7 | -116.7 | -162.8 | 2.1 | 111.2 | V38 A40 I42 S43 S44 E45 I49 A50 Q51 | V38-R47 HydrophobicContact CB-CG 4.12Å; V38-R47 HydrophobicContact CG1-CG 3.3Å; V38-R47 HydrophobicContact CG2-CG 4.5Å; A40-R47 PolarHBondContact O-NH2 2.91Å; I42-R47 PolarHBondContact O-NE 3.37Å; S43-R47 PolarHBondContact O-N 2.8Å; S44-R47 VanDerWaalsContact O-CB 3.31Å; S44-R47 WeakPolarHBondContact O-CB 3.46Å; S44-R47 PolarHBondContact O-N 3.48Å; E45-R47 VanDerWaalsContact C-N 3.3Å; R47-I49 VanDerWaalsContact C-N 3.31Å; R47-I49 PolarHBondContact O-N 3.34Å; R47-A50 PolarHBondContact O-N 3.43Å; R47-Q51 WeakPolarHBondContact O-CB 3.45Å; R47-Q51 WeakPolarHBondContact O-CG 3.26Å; R47-Q51 PolarHBondContact O-N 3.06Å |
| 48 | W | 42.6 | Very low | 40.1 | Very low | 161 Ų | 161 | 98.4 Ų | 98.4 | 61% | 0.61 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.3 | -44.6 | 172.8 | -176.5 | -94.7 | 0 | 0 | 0 | 111.1 | S44 A50 Q51 E52 | S44-W48 PolarHBondContact O-N 3.23Å; W48-A50 PolarHBondContact O-N 2.92Å; W48-Q51 PolarHBondContact O-N 2.9Å; W48-E52 PolarHBondContact NE1-OE2 3.5Å; W48-E52 PolarHBondContact O-N 3.23Å |
| 49 | I | 38.5 | Very low | 40.4 | Very low | 61 Ų | 61 | 101.3 Ų | 101.3 | 31% | 0.313 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.5 | -36 | 179 | -66.2 | 168.4 | 0 | 0 | 0 | 112.4 | E45 L46 R47 K53 | E45-I49 WeakPolarHBondContact O-CD1 3Å; E45-I49 WeakPolarHBondContact O-CG1 3.31Å; E45-I49 PolarHBondContact O-N 3.39Å; L46-I49 PolarHBondContact O-N 2.99Å; R47-I49 VanDerWaalsContact C-N 3.31Å; R47-I49 PolarHBondContact O-N 3.34Å; I49-K53 HydrophobicContact CG2-CD 3.71Å; I49-K53 HydrophobicContact CG2-CG 4.33Å; I49-K53 VanDerWaalsContact O-CB 3.26Å; I49-K53 WeakPolarHBondContact O-CB 3.31Å; I49-K53 VanDerWaalsContact O-CG 3.25Å; I49-K53 WeakPolarHBondContact O-CG 3.45Å; I49-K53 PolarHBondContact O-N 3.41Å |
| 50 | A | 39.5 | Very low | 40.6 | Very low | 51 Ų | 51 | 104.9 Ų | 104.9 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.7 | -32 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L46 R47 W48 | L46-A50 VanDerWaalsContact O-CB 3.26Å; L46-A50 WeakPolarHBondContact O-CB 3.36Å; L46-A50 PolarHBondContact O-N 2.88Å; R47-A50 PolarHBondContact O-N 3.43Å; W48-A50 PolarHBondContact O-N 2.92Å |
| 51 | Q | 39.6 | Very low | 40.6 | Very low | 120 Ų | 120 | 106.8 Ų | 106.8 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74.1 | -35.6 | 175.8 | -75.8 | 178.5 | -25.6 | 0 | 0 | 112.5 | V38 R47 W48 | V38-Q51 HydrophobicContact CG2-CG 4.1Å; R47-Q51 WeakPolarHBondContact O-CB 3.45Å; R47-Q51 WeakPolarHBondContact O-CG 3.26Å; R47-Q51 PolarHBondContact O-N 3.06Å; W48-Q51 PolarHBondContact O-N 2.9Å |
| 52 | E | 43.3 | Very low | 40.9 | Very low | 86 Ų | 86 | 101.7 Ų | 101.7 | 40% | 0.402 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -88.5 | -18.7 | -177.5 | -79.5 | -167.5 | 120.9 | 0 | 0 | 115.6 | W48 R54 | W48-E52 PolarHBondContact NE1-OE2 3.5Å; W48-E52 PolarHBondContact O-N 3.23Å; E52-R54 PolarHBondContact O-N 2.97Å |
| 53 | K | 40.2 | Very low | 41 | Very low | 79 Ų | 79 | 107.4 Ų | 107.4 | 34% | 0.343 | 56% | 0.558 | S | S | . | * | trans | -101.4 | 49.6 | -167.9 | -67.4 | -167.3 | 179.9 | 178.1 | 0 | 116.4 | I49 C55 Y106 | I49-K53 HydrophobicContact CG2-CD 3.71Å; I49-K53 HydrophobicContact CG2-CG 4.33Å; I49-K53 VanDerWaalsContact O-CB 3.26Å; I49-K53 WeakPolarHBondContact O-CB 3.31Å; I49-K53 VanDerWaalsContact O-CG 3.25Å; I49-K53 WeakPolarHBondContact O-CG 3.45Å; I49-K53 PolarHBondContact O-N 3.41Å; K53-C55 VanDerWaalsContact C-N 3.25Å; K53-C55 PolarHBondContact O-N 2.91Å; K53-Y106 VanDerWaalsContact CE-CE1 3.44Å | ||
| 54 | R | 39.1 | Very low | 41.5 | Very low | 132 Ų | 132 | 111.7 Ų | 111.7 | 50% | 0.498 | 58% | 0.576 | S | S | . | * | trans | -76.2 | 64 | 175 | -67.2 | -173.6 | -177.6 | -167.2 | -3.7 | 113.9 | L32 D34 E52 | L32-R54 PolarHBondContact O-NH1 2.7Å; L32-R54 VanDerWaalsContact O-NH1 3.07Å; D34-R54 VanDerWaalsContact O-CZ 3.23Å; D34-R54 PolarHBondContact O-NH1 3.35Å; D34-R54 PolarHBondContact O-NH2 3.22Å; E52-R54 PolarHBondContact O-N 2.97Å | ||
| 55 | C | 34.9 | Very low | 41.8 | Very low | 97 Ų | 97 | 108.2 Ų | 108.2 | 66% | 0.655 | 55% | 0.55 | S | S | * | * | trans | -123.4 | 58.6 | 166 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | K53 | K53-C55 VanDerWaalsContact C-N 3.25Å; K53-C55 PolarHBondContact O-N 2.91Å | ||
| 56 | L | 38.5 | Very low | 42.3 | Very low | 99 Ų | 99 | 104.2 Ų | 104.2 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | trans | -80.3 | 134.7 | 164.7 | -73.7 | 169.3 | 0 | 0 | 0 | 108.4 | T58 | L56-T58 PolarHBondContact O-N 3.43Š| ||
| 57 | P | 38.4 | Very low | 42.4 | Very low | 90 Ų | 90 | 108.2 Ų | 108.2 | 58% | 0.584 | 55% | 0.546 | S | S | * | . | trans | -58.5 | 124.8 | 170.6 | 23.6 | -30.4 | 0 | 0 | 0 | 108.8 | T59 | P57-T59 PolarHBondContact O-N 3.04Š| ||
| 58 | T | 44.7 | Very low | 42.2 | Very low | 143 Ų | 143 | 112.9 Ų | 112.9 | 88% | 0.877 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -66.8 | 10.6 | -176.3 | 44.3 | 0 | 0 | 0 | 0 | 114.3 | L56 | L56-T58 PolarHBondContact O-N 3.43Š|
| 59 | T | 42.4 | Very low | 42.5 | Very low | 104 Ų | 104 | 112.1 Ų | 112.1 | 64% | 0.638 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -101.9 | 104.1 | -173.6 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | P57 | P57-T59 PolarHBondContact O-N 3.04Š|
| 60 | N | 43.9 | Very low | 42.7 | Very low | 146 Ų | 146 | 113.8 Ų | 113.8 | 78% | 0.781 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 83 | 33.3 | 168.3 | -53.3 | -14.1 | 0 | 0 | 0 | 118.2 | ||
| 61 | W | 41.1 | Very low | 42.9 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 47% | 0.466 | 58% | 0.575 | S | S | . | * | trans | -81.9 | 123 | 167.3 | -172.8 | 83.6 | 0 | 0 | 0 | 110.9 | W36 Q63 | W36-W61 AromaticContact CH2-CH2 3.31Å; W36-W61 HydrophobicContact CH2-CH2 3.31Å; W36-W61 AromaticContact CH2-CZ2 3.35Å; W36-W61 HydrophobicContact CH2-CZ2 3.35Å; W36-W61 HydrophobicContact CH2-CZ3 4.01Å; W36-W61 HydrophobicContact CZ2-CH2 4.27Å; W36-W61 HydrophobicContact CZ3-CH2 4.01Å; W36-W61 AromaticContact CZ3-CZ2 3.77Å; W36-W61 HydrophobicContact CZ3-CZ2 3.77Å; W61-Q63 HydrophobicContact CH2-CB 3.73Å; W61-Q63 HydrophobicContact CH2-CG 3.98Å; W61-Q63 HydrophobicContact CZ2-CB 4.45Å; W61-Q63 HydrophobicContact CZ3-CB 4.18Å | ||
| 62 | T | 47.7 | Very low | 43.2 | Very low | 84 Ų | 84 | 110.3 Ų | 110.3 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | trans | -113.7 | 147.4 | 166.5 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | D64 T65 | T62-D64 PolarHBondContact O-N 3.25Å; T62-D64 VanDerWaalsContact O-N 3.07Å; T62-T65 PolarHBondContact O-N 2.67Å; T62-T65 PolarHBondContact O-OG1 2.7Å; T62-T65 PolarHBondContact OG1-OG1 3.27Å | ||
| 63 | Q | 42 | Very low | 43.2 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 79% | 0.794 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -22.4 | -177.2 | -168.3 | 171.6 | -4.7 | 0 | 0 | 114.1 | W61 | W61-Q63 HydrophobicContact CH2-CB 3.73Å; W61-Q63 HydrophobicContact CH2-CG 3.98Å; W61-Q63 HydrophobicContact CZ2-CB 4.45Å; W61-Q63 HydrophobicContact CZ3-CB 4.18Å |
| 64 | D | 50.3 | Low | 43.5 | Very low | 153 Ų | 153 | 116.3 Ų | 116.3 | 82% | 0.818 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -3 | 178 | -68.8 | -69.3 | 0 | 0 | 0 | 114.8 | T62 P66 | T62-D64 PolarHBondContact O-N 3.25Å; T62-D64 VanDerWaalsContact O-N 3.07Å; D64-P66 WeakPolarHBondContact O-CD 3.26Å |
| 65 | T | 49.9 | Very low | 43.6 | Very low | 31 Ų | 31 | 114 Ų | 114 | 19% | 0.19 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -81.1 | 121.1 | -175.2 | -41.1 | 0 | 0 | 0 | 0 | 111.8 | T62 W67 H70 | T62-T65 PolarHBondContact O-N 2.67Å; T62-T65 PolarHBondContact O-OG1 2.7Å; T62-T65 PolarHBondContact OG1-OG1 3.27Å; T65-W67 PolarHBondContact O-N 2.06Å; T65-H70 WeakPolarHBondContact CG2-CD2 3.5Å; T65-H70 WeakPolarHBondContact CG2-NE2 3.46Å |
| 66 | P | 48.5 | Very low | 44.1 | Very low | 68 Ų | 68 | 111.6 Ų | 111.6 | 44% | 0.442 | 56% | 0.558 | S | S | . | * | trans | -59.2 | 127 | 179 | -18.9 | 29.4 | 0 | 0 | 0 | 111.1 | D64 K68 E69 | D64-P66 WeakPolarHBondContact O-CD 3.26Å; P66-K68 PolarHBondContact O-N 3.37Å; P66-E69 HydrophobicContact CB-CG 4.27Å; P66-E69 WeakPolarHBondContact CD-OE2 3.25Å; P66-E69 HydrophobicContact CG-CG 4.45Å; P66-E69 WeakPolarHBondContact CG-OE2 3.33Å; P66-E69 PolarHBondContact O-N 2.8Å | ||
| 67 | W | 40.3 | Very low | 44.2 | Very low | 177 Ų | 177 | 114.5 Ų | 114.5 | 67% | 0.67 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -48.4 | -36.1 | 178.8 | 179.6 | -93 | 0 | 0 | 0 | 113.3 | T65 E69 H70 V71 | T65-W67 PolarHBondContact O-N 2.06Å; W67-E69 VanDerWaalsContact C-N 3.26Å; W67-E69 PolarHBondContact O-N 3.37Å; W67-H70 PolarHBondContact O-N 2.92Å; W67-V71 HydrophobicContact CD2-CG2 3.92Å; W67-V71 HydrophobicContact CG-CG2 4.18Å; W67-V71 HydrophobicContact CZ2-CG2 3.91Å; W67-V71 VanDerWaalsContact O-CG2 3.31Å; W67-V71 WeakPolarHBondContact O-CG2 3.22Å; W67-V71 PolarHBondContact O-N 3.14Å |
| 68 | K | 41.9 | Very low | 44.4 | Very low | 195 Ų | 195 | 113.8 Ų | 113.8 | 85% | 0.848 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.7 | -20.8 | -179.5 | -69.3 | -178.1 | 179.2 | 176.8 | 0 | 114 | P66 | P66-K68 PolarHBondContact O-N 3.37Å |
| 69 | E | 47.1 | Very low | 44.1 | Very low | 146 Ų | 146 | 109 Ų | 109 | 68% | 0.682 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -92.1 | -14.4 | -179.6 | -66.5 | -173.3 | 147.1 | 0 | 0 | 113.1 | P66 W67 | P66-E69 HydrophobicContact CB-CG 4.27Å; P66-E69 WeakPolarHBondContact CD-OE2 3.25Å; P66-E69 HydrophobicContact CG-CG 4.45Å; P66-E69 WeakPolarHBondContact CG-OE2 3.33Å; P66-E69 PolarHBondContact O-N 2.8Å; W67-E69 VanDerWaalsContact C-N 3.26Å; W67-E69 PolarHBondContact O-N 3.37Å |
| 70 | H | 43.6 | Very low | 44 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -121.8 | 4.4 | -175.6 | -88.2 | -2.2 | 0 | 0 | 0 | 115.4 | T65 W67 P72 | T65-H70 WeakPolarHBondContact CG2-CD2 3.5Å; T65-H70 WeakPolarHBondContact CG2-NE2 3.46Å; W67-H70 PolarHBondContact O-N 2.92Å; H70-P72 VanDerWaalsContact C-CD 3.49Å; H70-P72 WeakPolarHBondContact O-CD 3.38Å |
| 71 | V | 42.6 | Very low | 43.8 | Very low | 58 Ų | 58 | 106.7 Ų | 106.7 | 35% | 0.352 | 51% | 0.509 | S | S | . | . | trans | -95.5 | 97.2 | 164.2 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | W67 R73 | W67-V71 HydrophobicContact CD2-CG2 3.92Å; W67-V71 HydrophobicContact CG-CG2 4.18Å; W67-V71 HydrophobicContact CZ2-CG2 3.91Å; W67-V71 VanDerWaalsContact O-CG2 3.31Å; W67-V71 WeakPolarHBondContact O-CG2 3.22Å; W67-V71 PolarHBondContact O-N 3.14Å; V71-R73 PolarHBondContact O-N 3.4Å | ||
| 72 | P | 46.3 | Very low | 43.7 | Very low | 40 Ų | 40 | 108.1 Ų | 108.1 | 26% | 0.26 | 52% | 0.521 | S | S | . | . | trans | -46.7 | 139 | 157.8 | -19.5 | 26.2 | 0 | 0 | 0 | 107.5 | H70 W74 M110 | H70-P72 VanDerWaalsContact C-CD 3.49Å; H70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-W74 HydrophobicContact CB-CD2 4.48Å; P72-W74 HydrophobicContact CB-CG 4.34Å; P72-W74 VanDerWaalsContact CB-NE1 3.33Å; P72-W74 HydrophobicContact CG-CZ2 4.21Å; P72-W74 PolarHBondContact O-N 3.27Å; P72-M110 HydrophobicContact CB-CE 3.93Å; P72-M110 HydrophobicContact CB-CG 3.86Å; P72-M110 HydrophobicContact CB-SD 4.07Å; P72-M110 HydrophobicContact CG-CE 4.31Å; P72-M110 HydrophobicContact CG-SD 4.49Å | ||
| 73 | R | 43.7 | Very low | 43.4 | Very low | 192 Ų | 192 | 113.1 Ų | 113.1 | 73% | 0.725 | 53% | 0.53 | S | S | * | . | trans | -65.2 | 92.6 | 171.3 | -63.3 | -178.8 | 77.9 | 177.8 | 4.8 | 106.5 | V71 I111 | V71-R73 PolarHBondContact O-N 3.4Å; R73-I111 HydrophobicContact CB-CB 4.17Å; R73-I111 HydrophobicContact CB-CD1 3.67Å; R73-I111 HydrophobicContact CB-CG1 4.08Å; R73-I111 WeakPolarHBondContact O-CG1 3.48Å; R73-I111 PolarHBondContact O-N 2.77Å | ||
| 74 | W | 46.8 | Very low | 43.1 | Very low | 100 Ų | 100 | 116 Ų | 116 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.5 | 175.5 | -66.2 | 93.6 | 0 | 0 | 0 | 107.5 | P72 C76 C108 D109 M110 | P72-W74 HydrophobicContact CB-CD2 4.48Å; P72-W74 HydrophobicContact CB-CG 4.34Å; P72-W74 VanDerWaalsContact CB-NE1 3.33Å; P72-W74 HydrophobicContact CG-CZ2 4.21Å; P72-W74 PolarHBondContact O-N 3.27Å; W74-C76 PolarHBondContact O-N 2.87Å; W74-C108 HydrophobicContact CB-CB 4.26Å; W74-C108 HydrophobicContact CD2-CB 4.26Å; W74-C108 HydrophobicContact CE3-CB 3.53Å; W74-C108 HydrophobicContact CZ3-CB 4.22Å; W74-C108 WeakPolarHBondContact CZ3-O 3.3Å; W74-D109 CarbonylContact C-O 3.58Å; W74-D109 VanDerWaalsContact CA-O 3.3Å; W74-D109 WeakPolarHBondContact CA-O 3.09Å; W74-M110 HydrophobicContact CE3-CB 4.49Å |
| 75 | I | 40.3 | Very low | 42.3 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 101.5 | 163.8 | -62.4 | 175 | 0 | 0 | 0 | 105.9 | R77 C108 D109 I111 | I75-R77 HydrophobicContact CG2-CG 4.38Å; I75-C108 WeakPolarHBondContact O-CA 3.12Å; I75-D109 PolarHBondContact N-O 3.24Å; I75-D109 PolarHBondContact O-N 2.87Å; I75-I111 HydrophobicContact CD1-CD1 3.66Å; I75-I111 HydrophobicContact CD1-CG1 3.58Å; I75-I111 HydrophobicContact CG1-CD1 3.69Å; I75-I111 HydrophobicContact CG1-CG1 3.65Å |
| 76 | C | 45.5 | Very low | 41.6 | Very low | 47 Ų | 47 | 116.9 Ų | 116.9 | 32% | 0.318 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.2 | 173 | -64 | 0 | 0 | 0 | 0 | 110 | W74 Q107 C108 | W74-C76 PolarHBondContact O-N 2.87Å; C76-Q107 CarbonylContact C-O 3.51Å; C76-Q107 WeakPolarHBondContact CA-O 3.47Å; C76-C108 HydrophobicContact CB-CB 4.2Å; C76-C108 WeakPolarHBondContact CB-SG 3.11Å; C76-C108 WeakPolarHBondContact SG-CB 3.24Å; C76-C108 CovalentContact SG-SG 2.06Å; C76-C108 PolarHBondContact SG-SG 3.15Å |
| 77 | R | 41.9 | Very low | 40.9 | Very low | 160 Ų | 160 | 117.8 Ų | 117.8 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 140.3 | 167.9 | -63.8 | -179.1 | 179.4 | -173 | -0.1 | 109.2 | I75 Q107 | I75-R77 HydrophobicContact CG2-CG 4.38Å; R77-Q107 PolarHBondContact N-O 3.41Å; R77-Q107 PolarHBondContact O-N 2.99Å |
| 78 | V | 42.5 | Very low | 40.6 | Very low | 74 Ų | 74 | 114.3 Ų | 114.3 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.7 | 173.1 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | Y104 Y106 | V78-Y104 HydrophobicContact CG1-CD1 3.47Å; V78-Y104 VanDerWaalsContact CG1-CD1 3.47Å; V78-Y104 HydrophobicContact CG1-CE1 4.28Å; V78-Y104 HydrophobicContact CG1-CG 4.31Å; V78-Y106 HydrophobicContact CG2-CD1 3.82Å; V78-Y106 HydrophobicContact CG2-CE1 3.41Å; V78-Y106 VanDerWaalsContact CG2-CE1 3.41Å |
| 79 | S | 38.8 | Very low | 40.1 | Very low | 42 Ų | 42 | 108.1 Ų | 108.1 | 29% | 0.294 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.3 | 172.7 | -67.4 | 0 | 0 | 0 | 0 | 109.6 | V105 | S79-V105 PolarHBondContact N-O 2.91Å; S79-V105 WeakPolarHBondContact O-CB 3.09Å; S79-V105 PolarHBondContact O-N 3.34Å |
| 80 | I | 39.6 | Very low | 39.6 | Very low | 103 Ų | 103 | 106.2 Ų | 106.2 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.4 | 175.5 | -61.4 | 174 | 0 | 0 | 0 | 107.1 | L102 Y104 | I80-L102 HydrophobicContact CG2-CB 4.42Å; I80-L102 HydrophobicContact CG2-CD2 3.63Å; I80-Y104 HydrophobicContact CD1-CE1 4.33Å; I80-Y104 HydrophobicContact CG1-CD1 4.2Å; I80-Y104 HydrophobicContact CG1-CE1 4.11Å |
| 81 | M | 39.9 | Very low | 39.4 | Very low | 99 Ų | 99 | 105.7 Ų | 105.7 | 49% | 0.488 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.9 | 174 | -70.2 | -163.9 | 179.5 | 0 | 0 | 110.7 | Y103 V105 | M81-Y103 PolarHBondContact N-O 3.27Å; M81-V105 HydrophobicContact CB-CG2 4.03Å; M81-V105 HydrophobicContact CG-CG2 3.88Å; M81-V105 HydrophobicContact SD-CG2 4.06Å |
| 82 | Q | 39.5 | Very low | 39.2 | Very low | 153 Ų | 153 | 106.7 Ų | 106.7 | 72% | 0.715 | 59% | 0.59 | S | S | * | * | trans | -91.2 | 115 | 164.5 | -70.4 | -178.8 | -20.8 | 0 | 0 | 108.1 | L102 | Q82-L102 HydrophobicContact CG-CD2 3.95Š| ||
| 83 | R | 40 | Very low | 38.8 | Very low | 190 Ų | 190 | 110.5 Ų | 110.5 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | trans | -99.4 | 107.6 | 178.4 | -163.9 | 179.6 | -170.1 | -166 | 1.7 | 109.4 | C85 L100 | R83-C85 PolarHBondContact O-N 2.86Å; R83-C85 VanDerWaalsContact O-N 3.09Å; R83-L100 WeakPolarHBondContact O-CD1 3.15Å; R83-L100 WeakPolarHBondContact O-CD2 3.43Å | ||
| 84 | R | 35.7 | Very low | 38.5 | Very low | 229 Ų | 229 | 105.5 Ų | 105.5 | 86% | 0.864 | 60% | 0.599 | S | S | * | * | trans | -60.2 | 112.8 | 167.6 | -78.5 | -175 | 177.4 | -174.2 | -1.2 | 108.6 | ||||
| 85 | C | 33.9 | Very low | 38 | Very low | 87 Ų | 87 | 108 Ų | 108 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | trans | -103.3 | 109.3 | 170.4 | -75.3 | 0 | 0 | 0 | 0 | 108.1 | R83 A87 | R83-C85 PolarHBondContact O-N 2.86Å; R83-C85 VanDerWaalsContact O-N 3.09Å; C85-A87 PolarHBondContact O-N 2.83Å | ||
| 86 | S | 35.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -76.8 | 105.6 | 166.6 | -49.3 | 0 | 0 | 0 | 0 | 107.6 | S88 | S86-S88 PolarHBondContact O-N 3.37Š| ||
| 87 | A | 34.4 | Very low | 37.4 | Very low | 86 Ų | 86 | 118 Ų | 118 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | trans | -77.9 | 105.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | C85 A89 | C85-A87 PolarHBondContact O-N 2.83Å; A87-A89 PolarHBondContact O-N 3.17Å | ||
| 88 | S | 32.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 97.6 | 168.7 | -165.4 | 0 | 0 | 0 | 0 | 107.8 | S86 | S86-S88 PolarHBondContact O-N 3.37Å |
| 89 | A | 32.7 | Very low | 36.9 | Very low | 65 Ų | 65 | 125 Ų | 125 | 54% | 0.537 | 69% | 0.689 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 137.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | A87 G91 T92 | A87-A89 PolarHBondContact O-N 3.17Å; A89-G91 PolarHBondContact O-N 3.35Å; A89-T92 PolarHBondContact O-N 3.19Å; A89-T92 VanDerWaalsContact O-N 3.15Å |
| 90 | A | 35.9 | Very low | 36.9 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 88% | 0.884 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -30.1 | 105.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | T92 | A90-T92 PolarHBondContact O-N 2.79Š|
| 91 | G | 40.3 | Very low | 36.8 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.3 | 2.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118 | A89 | A89-G91 PolarHBondContact O-N 3.35Š|
| 92 | T | 37.9 | Very low | 36.8 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 49% | 0.485 | 68% | 0.676 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.7 | 114.2 | 176.1 | 35.9 | 0 | 0 | 0 | 0 | 111.7 | A89 A90 N94 | A89-T92 PolarHBondContact O-N 3.19Å; A89-T92 VanDerWaalsContact O-N 3.15Å; A90-T92 PolarHBondContact O-N 2.79Å; T92-N94 PolarHBondContact O-N 3.28Å |
| 93 | V | 37.5 | Very low | 36.8 | Very low | 119 Ų | 119 | 119 Ų | 119 | 72% | 0.721 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 96.4 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 107 | ||
| 94 | N | 37 | Very low | 37 | Very low | 88 Ų | 88 | 115 Ų | 115 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | trans | -97.4 | 108.7 | 166.8 | -72.9 | -33.3 | 0 | 0 | 0 | 108.7 | T92 Y96 | T92-N94 PolarHBondContact O-N 3.28Å; N94-Y96 HydrophobicContact CB-CD2 3.58Å; N94-Y96 HydrophobicContact CB-CE2 3.24Å; N94-Y96 PolarHBondContact O-N 3.27Å | ||
| 95 | D | 37.6 | Very low | 37.3 | Very low | 153 Ų | 153 | 105 Ų | 105 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | trans | -70.8 | 77.4 | 169.8 | -87 | -45 | 0 | 0 | 0 | 109.9 | ||||
| 96 | Y | 36.9 | Very low | 37.9 | Very low | 172 Ų | 172 | 103.5 Ų | 103.5 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | trans | -83.7 | 114.5 | 167.3 | -66.9 | -69.8 | 0 | 0 | 0 | 109.6 | N94 F98 | N94-Y96 HydrophobicContact CB-CD2 3.58Å; N94-Y96 HydrophobicContact CB-CE2 3.24Å; N94-Y96 PolarHBondContact O-N 3.27Å; Y96-F98 PolarHBondContact O-N 3.22Å | ||
| 97 | N | 34.9 | Very low | 38.4 | Very low | 168 Ų | 168 | 101.9 Ų | 101.9 | 90% | 0.898 | 57% | 0.57 | S | S | * | * | trans | -67.9 | 77 | 162 | -87.1 | -45.5 | 0 | 0 | 0 | 109.1 | ||||
| 98 | F | 37.6 | Very low | 39 | Very low | 173 Ų | 173 | 99.8 Ų | 99.8 | 76% | 0.759 | 55% | 0.55 | S | S | * | * | trans | -74.7 | 133.4 | 168 | -115.1 | -94.8 | 0 | 0 | 0 | 109.1 | Y96 L100 | Y96-F98 PolarHBondContact O-N 3.22Å; F98-L100 PolarHBondContact O-N 2.96Å | ||
| 99 | F | 37.2 | Very low | 39.5 | Very low | 208 Ų | 208 | 98.6 Ų | 98.6 | 91% | 0.912 | 54% | 0.535 | S | S | * | . | trans | -57.6 | 106.3 | 167.1 | -119 | -95.5 | 0 | 0 | 0 | 107.7 | ||||
| 100 | L | 38.3 | Very low | 39.8 | Very low | 55 Ų | 55 | 100.7 Ų | 100.7 | 29% | 0.288 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 127.5 | -178.1 | -76.5 | 150.8 | 0 | 0 | 0 | 109.1 | R83 F98 L102 | R83-L100 WeakPolarHBondContact O-CD1 3.15Å; R83-L100 WeakPolarHBondContact O-CD2 3.43Å; F98-L100 PolarHBondContact O-N 2.96Å; L100-L102 PolarHBondContact O-N 3.09Å |
| 101 | P | 38.3 | Very low | 40.2 | Very low | 57 Ų | 57 | 101.1 Ų | 101.1 | 37% | 0.37 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 130.3 | 174.3 | 18.6 | -28.2 | 0 | 0 | 0 | 109.6 | Y103 | P101-Y103 HydrophobicContact CB-CE2 4.25Å; P101-Y103 HydrophobicContact CG-CE2 3.77Å; P101-Y103 WeakPolarHBondContact CG-OH 3.35Å; P101-Y103 WeakPolarHBondContact O-CD2 3.36Å; P101-Y103 VanDerWaalsContact O-CE2 3.24Å; P101-Y103 WeakPolarHBondContact O-CE2 3.35Å; P101-Y103 PolarHBondContact O-N 3.47Å |
| 102 | L | 38.6 | Very low | 40.2 | Very low | 72 Ų | 72 | 102 Ų | 102 | 38% | 0.377 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 119.2 | 174.7 | -66.6 | 169.5 | 0 | 0 | 0 | 107.7 | I80 Q82 L100 | I80-L102 HydrophobicContact CG2-CB 4.42Å; I80-L102 HydrophobicContact CG2-CD2 3.63Å; Q82-L102 HydrophobicContact CG-CD2 3.95Å; L100-L102 PolarHBondContact O-N 3.09Å |
| 103 | Y | 40.6 | Very low | 40.3 | Very low | 86 Ų | 86 | 103.2 Ų | 103.2 | 34% | 0.337 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.2 | 172.2 | -62.5 | -82.3 | 0 | 0 | 0 | 109.2 | M81 P101 V105 | M81-Y103 PolarHBondContact N-O 3.27Å; P101-Y103 HydrophobicContact CB-CE2 4.25Å; P101-Y103 HydrophobicContact CG-CE2 3.77Å; P101-Y103 WeakPolarHBondContact CG-OH 3.35Å; P101-Y103 WeakPolarHBondContact O-CD2 3.36Å; P101-Y103 VanDerWaalsContact O-CE2 3.24Å; P101-Y103 WeakPolarHBondContact O-CE2 3.35Å; P101-Y103 PolarHBondContact O-N 3.47Å; Y103-V105 PolarHBondContact O-N 2.86Å |
| 104 | Y | 44.2 | Very low | 40.5 | Very low | 105 Ų | 105 | 102.3 Ų | 102.3 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 109.7 | 166.6 | -67 | -77.3 | 0 | 0 | 0 | 108.6 | V78 I80 | V78-Y104 HydrophobicContact CG1-CD1 3.47Å; V78-Y104 VanDerWaalsContact CG1-CD1 3.47Å; V78-Y104 HydrophobicContact CG1-CE1 4.28Å; V78-Y104 HydrophobicContact CG1-CG 4.31Å; I80-Y104 HydrophobicContact CD1-CE1 4.33Å; I80-Y104 HydrophobicContact CG1-CD1 4.2Å; I80-Y104 HydrophobicContact CG1-CE1 4.11Å |
| 105 | V | 41.2 | Very low | 40.7 | Very low | 21 Ų | 21 | 103.2 Ų | 103.2 | 13% | 0.127 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.2 | 170.4 | -177 | 0 | 0 | 0 | 0 | 107.5 | S79 M81 Y103 Q107 | S79-V105 PolarHBondContact N-O 2.91Å; S79-V105 WeakPolarHBondContact O-CB 3.09Å; S79-V105 PolarHBondContact O-N 3.34Å; M81-V105 HydrophobicContact CB-CG2 4.03Å; M81-V105 HydrophobicContact CG-CG2 3.88Å; M81-V105 HydrophobicContact SD-CG2 4.06Å; Y103-V105 PolarHBondContact O-N 2.86Å; V105-Q107 HydrophobicContact CG1-CG 4.17Å |
| 106 | Y | 47.4 | Very low | 40.9 | Very low | 54 Ų | 54 | 100.1 Ų | 100.1 | 21% | 0.212 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.4 | 169.7 | -75.2 | -88.6 | 0 | 0 | 0 | 109.3 | K53 V78 | K53-Y106 VanDerWaalsContact CE-CE1 3.44Å; V78-Y106 HydrophobicContact CG2-CD1 3.82Å; V78-Y106 HydrophobicContact CG2-CE1 3.41Å; V78-Y106 VanDerWaalsContact CG2-CE1 3.41Å |
| 107 | Q | 45.5 | Very low | 41.1 | Very low | 83 Ų | 83 | 95.3 Ų | 95.3 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 108.5 | 169.2 | -66 | -174.9 | -18.1 | 0 | 0 | 107.4 | C76 R77 V105 | C76-Q107 CarbonylContact C-O 3.51Å; C76-Q107 WeakPolarHBondContact CA-O 3.47Å; R77-Q107 PolarHBondContact N-O 3.41Å; R77-Q107 PolarHBondContact O-N 2.99Å; V105-Q107 HydrophobicContact CG1-CG 4.17Å |
| 108 | C | 46.8 | Very low | 41.6 | Very low | 43 Ų | 43 | 90.1 Ų | 90.1 | 29% | 0.291 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.5 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 108.9 | W74 I75 C76 | W74-C108 HydrophobicContact CB-CB 4.26Å; W74-C108 HydrophobicContact CD2-CB 4.26Å; W74-C108 HydrophobicContact CE3-CB 3.53Å; W74-C108 HydrophobicContact CZ3-CB 4.22Å; W74-C108 WeakPolarHBondContact CZ3-O 3.3Å; I75-C108 WeakPolarHBondContact O-CA 3.12Å; C76-C108 HydrophobicContact CB-CB 4.2Å; C76-C108 WeakPolarHBondContact CB-SG 3.11Å; C76-C108 WeakPolarHBondContact SG-CB 3.24Å; C76-C108 CovalentContact SG-SG 2.06Å; C76-C108 PolarHBondContact SG-SG 3.15Å |
| 109 | D | 43.4 | Very low | 41.9 | Very low | 78 Ų | 78 | 83.7 Ų | 83.7 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.4 | 173.5 | -72.3 | -68.6 | 0 | 0 | 0 | 109.5 | W74 I75 | W74-D109 CarbonylContact C-O 3.58Å; W74-D109 VanDerWaalsContact CA-O 3.3Å; W74-D109 WeakPolarHBondContact CA-O 3.09Å; I75-D109 PolarHBondContact N-O 3.24Å; I75-D109 PolarHBondContact O-N 2.87Å |
| 110 | M | 39.5 | Very low | 42.3 | Very low | 109 Ų | 109 | 73.3 Ų | 73.3 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 121 | 170.6 | -174.3 | 173 | 177.8 | 0 | 0 | 109.2 | K4 P72 W74 | K4-M110 PolarHBondContact NZ-O 3.34Å; P72-M110 HydrophobicContact CB-CE 3.93Å; P72-M110 HydrophobicContact CB-CG 3.86Å; P72-M110 HydrophobicContact CB-SD 4.07Å; P72-M110 HydrophobicContact CG-CE 4.31Å; P72-M110 HydrophobicContact CG-SD 4.49Å; W74-M110 HydrophobicContact CE3-CB 4.49Å |
| 111 | I | 43.9 | Very low | 42.7 | Very low | 117 Ų | 117 | 75 Ų | 75 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | trans | -59.4 | 0 | 171.4 | -58.8 | 178.5 | 0 | 0 | 0 | 109 | K4 R73 I75 | K4-I111 PolarHBondContact NZ-OXT 3.05Å; R73-I111 HydrophobicContact CB-CB 4.17Å; R73-I111 HydrophobicContact CB-CD1 3.67Å; R73-I111 HydrophobicContact CB-CG1 4.08Å; R73-I111 WeakPolarHBondContact O-CG1 3.48Å; R73-I111 PolarHBondContact O-N 2.77Å; I75-I111 HydrophobicContact CD1-CD1 3.66Å; I75-I111 HydrophobicContact CD1-CG1 3.58Å; I75-I111 HydrophobicContact CG1-CD1 3.69Å; I75-I111 HydrophobicContact CG1-CG1 3.65Å |
Retrieved 111 of 111 residues in 16.3 ms
(Link to these results)