| 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 | 40.5 | Very low | 48.3 | Very low | 245 Ų | 245 | 160.3 Ų | 160.3 | 100% | 1.207 | 84% | 0.843 | S | S | * | * | 0 | 103 | 0 | -66.7 | 171.3 | -174.5 | 0 | 0 | 107.1 | |||||
| 2 | A | 41.7 | Very low | 48.1 | Very low | 102 Ų | 102 | 156.2 Ų | 156.2 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -102.5 | 109.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | R4 | A2-R4 PolarHBondContact O-N 2.99Š| ||
| 3 | T | 47.2 | Very low | 47.1 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -79.8 | 110.1 | 178.1 | -31.9 | 0 | 0 | 0 | 0 | 108.4 | V5 | T3-V5 PolarHBondContact O-N 2.97Š| ||
| 4 | R | 51.4 | Low | 46.6 | Very low | 226 Ų | 226 | 147.6 Ų | 147.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -73.1 | 106.9 | 171 | -70.5 | 176 | 78.9 | 162.7 | 4.1 | 108.3 | A2 R6 | A2-R4 PolarHBondContact O-N 2.99Å; R4-R6 PolarHBondContact O-N 3.28Å | ||
| 5 | V | 53.5 | Low | 46 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 112.4 | 166.5 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | T3 T7 | T3-V5 PolarHBondContact O-N 2.97Å; V5-T7 PolarHBondContact O-N 3.33Å | ||
| 6 | R | 49.1 | Very low | 46.1 | Very low | 233 Ų | 233 | 151.1 Ų | 151.1 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -82.3 | 98.6 | 168.5 | -75.5 | -172.7 | 165.9 | 146.2 | -2.4 | 108.1 | R4 A8 | R4-R6 PolarHBondContact O-N 3.28Å; R6-A8 PolarHBondContact O-N 2.94Å | ||
| 7 | T | 56.2 | Low | 45.9 | Very low | 118 Ų | 118 | 151.7 Ų | 151.7 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | -79.5 | 109.6 | 162.6 | 163.1 | 0 | 0 | 0 | 0 | 107.7 | V5 S9 | V5-T7 PolarHBondContact O-N 3.33Å; T7-S9 PolarHBondContact O-N 3.09Å | ||
| 8 | A | 43.1 | Very low | 45.6 | Very low | 91 Ų | 91 | 156.2 Ų | 156.2 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -77.7 | 107.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | R6 I10 | R6-A8 PolarHBondContact O-N 2.94Å; A8-I10 PolarHBondContact O-N 3.49Å | ||
| 9 | S | 50.1 | Low | 45.9 | Very low | 112 Ų | 112 | 155.3 Ų | 155.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -66.1 | 120.3 | 167.4 | -59.3 | 0 | 0 | 0 | 0 | 108.3 | T7 W11 | T7-S9 PolarHBondContact O-N 3.09Å; S9-W11 PolarHBondContact O-N 3.29Å | ||
| 10 | I | 51.8 | Low | 46 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -62.5 | 115.9 | 169.6 | -93.5 | 142.6 | 0 | 0 | 0 | 108.1 | A8 V12 | A8-I10 PolarHBondContact O-N 3.49Å; I10-V12 HydrophobicContact CG2-CG2 3.9Å; I10-V12 PolarHBondContact O-N 3.29Å | ||
| 11 | W | 46.6 | Very low | 46.1 | Very low | 218 Ų | 218 | 147 Ų | 147 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -75.3 | 105.8 | 170.7 | -179.8 | -83.6 | 0 | 0 | 0 | 108.1 | S9 | S9-W11 PolarHBondContact O-N 3.29Š| ||
| 12 | V | 46.8 | Very low | 46.2 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | trans | -87 | 114.6 | 164.4 | -177.4 | 0 | 0 | 0 | 0 | 106.1 | I10 | I10-V12 HydrophobicContact CG2-CG2 3.9Å; I10-V12 PolarHBondContact O-N 3.29Å | ||
| 13 | P | 35.1 | Very low | 46.5 | Very low | 86 Ų | 86 | 141.3 Ų | 141.3 | 56% | 0.558 | 72% | 0.722 | S | S | * | * | trans | -61.3 | 138.2 | 175.5 | 24.4 | -29.6 | 0 | 0 | 0 | 108.7 | L15 | P13-L15 PolarHBondContact O-N 3.1Å; P13-L15 VanDerWaalsContact O-N 3.16Å | ||
| 14 | P | 39.4 | Very low | 46.6 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | trans | -54.7 | 127.4 | 174.4 | 21.9 | -29.9 | 0 | 0 | 0 | 107.6 | Q16 | P14-Q16 PolarHBondContact O-N 3.04Š| ||
| 15 | L | 38.3 | Very low | 46.3 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 89% | 0.89 | 69% | 0.694 | S | S | * | * | trans | -48.4 | 105 | 176.4 | -110 | 135.1 | 0 | 0 | 0 | 107.4 | P13 E17 | P13-L15 PolarHBondContact O-N 3.1Å; P13-L15 VanDerWaalsContact O-N 3.16Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.48Å | ||
| 16 | Q | 46.4 | Very low | 45.9 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 69% | 0.688 | S | S | * | * | trans | -68.2 | 101.4 | 179 | -174.2 | 144.3 | 4.2 | 0 | 0 | 106.1 | P14 R18 | P14-Q16 PolarHBondContact O-N 3.04Å; Q16-R18 VanDerWaalsContact C-N 3.31Å; Q16-R18 PolarHBondContact O-N 3.09Å | ||
| 17 | E | 43.2 | Very low | 45.9 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | trans | -51.1 | 102.8 | 168.6 | -73.8 | -167.9 | 152.9 | 0 | 0 | 106.7 | L15 N19 | L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.48Å; E17-N19 PolarHBondContact O-N 3.36Å; E17-N19 PolarHBondContact O-OD1 2.85Å | ||
| 18 | R | 41.1 | Very low | 45.3 | Very low | 233 Ų | 233 | 136.7 Ų | 136.7 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | trans | -68.2 | 94.9 | 171.9 | 178.2 | -175.9 | -79.8 | -141.6 | -2.3 | 104.7 | Q16 S20 | Q16-R18 VanDerWaalsContact C-N 3.31Å; Q16-R18 PolarHBondContact O-N 3.09Å; R18-S20 PolarHBondContact O-N 3.26Å | ||
| 19 | N | 49.8 | Very low | 45.4 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | trans | -28.9 | 99.6 | 174.2 | -61.9 | -22.4 | 0 | 0 | 0 | 110.4 | E17 | E17-N19 PolarHBondContact O-N 3.36Å; E17-N19 PolarHBondContact O-OD1 2.85Å | ||
| 20 | S | 48 | Very low | 45.1 | Very low | 57 Ų | 57 | 138.4 Ų | 138.4 | 40% | 0.399 | 68% | 0.678 | S | S | . | * | trans | -75.5 | 149.6 | 176.6 | 88 | 0 | 0 | 0 | 0 | 107.2 | R18 W22 D23 | R18-S20 PolarHBondContact O-N 3.26Å; S20-W22 PolarHBondContact O-N 2.86Å; S20-W22 WeakPolarHBondContact OG-CB 2.98Å; S20-W22 PolarHBondContact OG-N 2.84Å; S20-D23 PolarHBondContact O-N 3.45Å | ||
| 21 | S | 49.8 | Very low | 45 | Very low | 79 Ų | 79 | 139 Ų | 139 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -47.3 | -18.7 | 175 | -169.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 22 | W | 41.1 | Very low | 45 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -77.3 | -20.7 | 179.5 | -59.8 | 107.2 | 0 | 0 | 0 | 115.4 | S20 R24 I25 R26 | S20-W22 PolarHBondContact O-N 2.86Å; S20-W22 WeakPolarHBondContact OG-CB 2.98Å; S20-W22 PolarHBondContact OG-N 2.84Å; W22-R24 VanDerWaalsContact C-N 3.26Å; W22-R24 PolarHBondContact O-N 3.33Å; W22-I25 HydrophobicContact CD2-CD1 3.97Å; W22-I25 HydrophobicContact CE3-CB 4.09Å; W22-I25 HydrophobicContact CE3-CD1 3.23Å; W22-I25 HydrophobicContact CE3-CG1 4.2Å; W22-I25 HydrophobicContact CE3-CG2 4.15Å; W22-I25 HydrophobicContact CH2-CD1 4.09Å; W22-I25 HydrophobicContact CZ3-CD1 3.3Å; W22-I25 HydrophobicContact CZ3-CG1 4.48Å; W22-I25 HydrophobicContact CZ3-CG2 4.29Å; W22-I25 PolarHBondContact O-N 3.22Å; W22-I25 VanDerWaalsContact O-N 3.14Å; W22-R26 PolarHBondContact O-N 3.36Å |
| 23 | D | 49.4 | Very low | 45 | Very low | 58 Ų | 58 | 137.9 Ų | 137.9 | 31% | 0.31 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -71.3 | -25 | 173.5 | -72.8 | -49.1 | 0 | 0 | 0 | 112.1 | S20 R26 K27 | S20-D23 PolarHBondContact O-N 3.45Å; D23-R26 IonicContact OD1-CZ 3.43Å; D23-R26 IonicContact OD1-NH1 2.79Å; D23-R26 PolarHBondContact OD1-NH1 2.82Å; D23-R26 IonicContact OD1-NH2 3.98Å; D23-K27 PolarHBondContact O-N 2.92Å |
| 24 | R | 49 | Very low | 45.6 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -70.6 | -35.1 | 168.8 | -71.2 | 177.9 | 67.9 | -153.4 | 1.9 | 111.8 | W22 K27 L28 | W22-R24 VanDerWaalsContact C-N 3.26Å; W22-R24 PolarHBondContact O-N 3.33Å; R24-K27 PolarHBondContact O-N 3.35Å; R24-L28 WeakPolarHBondContact O-CG 3.2Å; R24-L28 PolarHBondContact O-N 3.45Å |
| 25 | I | 44.2 | Very low | 45.8 | Very low | 71 Ų | 71 | 144.5 Ų | 144.5 | 36% | 0.364 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -73.6 | -41 | -177.4 | -66.5 | 170 | 0 | 0 | 0 | 110.5 | W22 K27 L28 | W22-I25 HydrophobicContact CD2-CD1 3.97Å; W22-I25 HydrophobicContact CE3-CB 4.09Å; W22-I25 HydrophobicContact CE3-CD1 3.23Å; W22-I25 HydrophobicContact CE3-CG1 4.2Å; W22-I25 HydrophobicContact CE3-CG2 4.15Å; W22-I25 HydrophobicContact CH2-CD1 4.09Å; W22-I25 HydrophobicContact CZ3-CD1 3.3Å; W22-I25 HydrophobicContact CZ3-CG1 4.48Å; W22-I25 HydrophobicContact CZ3-CG2 4.29Å; W22-I25 PolarHBondContact O-N 3.22Å; W22-I25 VanDerWaalsContact O-N 3.14Å; I25-K27 PolarHBondContact O-N 3.12Å; I25-L28 PolarHBondContact O-N 3Å |
| 26 | R | 44.7 | Very low | 45.6 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -63.2 | -29.1 | 175.4 | -152.3 | -175.1 | -64.1 | 124.4 | 1.1 | 112.7 | W22 D23 | W22-R26 PolarHBondContact O-N 3.36Å; D23-R26 IonicContact OD1-CZ 3.43Å; D23-R26 IonicContact OD1-NH1 2.79Å; D23-R26 PolarHBondContact OD1-NH1 2.82Å; D23-R26 IonicContact OD1-NH2 3.98Å |
| 27 | K | 49.9 | Very low | 45.5 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 73% | 0.726 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75.4 | -24.8 | 179.3 | -142.3 | 165.8 | -175.6 | 175.8 | 0 | 113.4 | D23 R24 I25 | D23-K27 PolarHBondContact O-N 2.92Å; R24-K27 PolarHBondContact O-N 3.35Å; I25-K27 PolarHBondContact O-N 3.12Å |
| 28 | L | 43.6 | Very low | 45.3 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 72% | 0.723 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -82.1 | -25.3 | 179.6 | -69.1 | 169.5 | 0 | 0 | 0 | 113.1 | R24 I25 G30 | R24-L28 WeakPolarHBondContact O-CG 3.2Å; R24-L28 PolarHBondContact O-N 3.45Å; I25-L28 PolarHBondContact O-N 3Å; L28-G30 VanDerWaalsContact C-N 3.28Å; L28-G30 PolarHBondContact O-N 3.12Å |
| 29 | Q | 45.4 | Very low | 44.9 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -6.5 | 175.4 | -91.2 | 173.8 | -34.7 | 0 | 0 | 114.3 | ||
| 30 | G | 43.3 | Very low | 44.7 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L28 | L28-G30 VanDerWaalsContact C-N 3.28Å; L28-G30 PolarHBondContact O-N 3.12Å |
| 31 | Q | 49.3 | Very low | 44.5 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | -125.6 | 69.9 | 179.7 | -73.5 | -172.1 | -85.9 | 0 | 0 | 111.9 | ||||
| 32 | E | 47.8 | Very low | 44 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 93% | 0.925 | 74% | 0.744 | S | S | * | * | trans | -127.1 | 90.2 | 153.4 | -87.1 | -165.6 | 103.5 | 0 | 0 | 109 | ||||
| 33 | S | 45.8 | Very low | 43.8 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -159.6 | 92.7 | 160.4 | 169.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 34 | I | 47.1 | Very low | 43.1 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -143 | 102.3 | 153.2 | -59.1 | -67.2 | 0 | 0 | 0 | 108.6 | ||||
| 35 | L | 43.7 | Very low | 42.4 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 32 | 117.4 | 137.5 | -167.5 | 68.8 | 0 | 0 | 0 | 119.5 | ||||
| 36 | G | 35.3 | Very low | 42.4 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 179.6 | 89.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 37 | Q | 43.2 | Very low | 42.2 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | 3 | 147.9 | 157.7 | -57.8 | -143.4 | -22.9 | 0 | 0 | 123 | ||||
| 38 | G | 39.3 | Very low | 41.3 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -76.8 | 168.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 39 | T | 32.4 | Very low | 41 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | -140.3 | 115.3 | 167.9 | -34.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 40 | P | 46 | Very low | 40.7 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -88.6 | 127.5 | 179 | 31 | -27.3 | 0 | 0 | 0 | 110.8 | ||||
| 41 | G | 43.8 | Very low | 41.1 | Very low | 69 Ų | 69 | 142.1 Ų | 142.1 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | 112.4 | 101 | 160.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 42 | L | 39.5 | Very low | 40.7 | Very low | 178 Ų | 178 | 140 Ų | 140 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -165.5 | 125.9 | 135.3 | -99 | 159.9 | 0 | 0 | 0 | 108.6 | ||||
| 43 | Q | 37.8 | Very low | 40.6 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 147.6 | -177.3 | -73.3 | -88.5 | 42 | 0 | 0 | 112.6 | ||
| 44 | P | 33.5 | Very low | 40.4 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 120 | 172.3 | -1.3 | 19.8 | 0 | 0 | 0 | 111.2 | ||
| 45 | L | 36.1 | Very low | 40.6 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 143.4 | 164.3 | -98.7 | 159 | 0 | 0 | 0 | 110.3 | ||
| 46 | P | 43.9 | Very low | 41 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 130.2 | -172 | 34.5 | -27.9 | 0 | 0 | 0 | 111 | ||
| 47 | G | 39 | Very low | 41.7 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 159.8 | 68.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 48 | T | 32 | Very low | 42 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -125 | 134.6 | 158 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | R50 | T48-R50 PolarHBondContact O-N 3.27Š| ||
| 49 | P | 37.7 | Very low | 42.7 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -63.2 | 129 | 175.7 | -17 | 29.9 | 0 | 0 | 0 | 109.7 | Q51 | P49-Q51 PolarHBondContact O-N 3.11Š| ||
| 50 | R | 37.7 | Very low | 43.8 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | -57.8 | 93.8 | 176.7 | -88.6 | -177 | 155.4 | -178.8 | 0.6 | 111.2 | T48 K52 | T48-R50 PolarHBondContact O-N 3.27Å; R50-K52 HydrophobicContact CB-CB 4.36Å; R50-K52 PolarHBondContact O-N 3.28Å | ||
| 51 | Q | 53.1 | Low | 44.3 | Very low | 198 Ų | 198 | 133 Ų | 133 | 93% | 0.925 | 69% | 0.689 | S | S | * | * | trans | -80.9 | 66.4 | 159.2 | -153.9 | 170.8 | -0.6 | 0 | 0 | 107.9 | P49 Q53 | P49-Q51 PolarHBondContact O-N 3.11Å; Q51-Q53 PolarHBondContact O-N 2.97Å | ||
| 52 | K | 40.9 | Very low | 44.8 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 53% | 0.53 | 68% | 0.675 | S | S | . | * | trans | -85 | 109.8 | -173.1 | -137.2 | -178.6 | -177 | -173 | 0 | 108.8 | R50 K54 | R50-K52 HydrophobicContact CB-CB 4.36Å; R50-K52 PolarHBondContact O-N 3.28Å; K52-K54 VanDerWaalsContact C-N 3.27Å; K52-K54 PolarHBondContact O-N 2.92Å | ||
| 53 | Q | 45.5 | Very low | 45.3 | Very low | 170 Ų | 170 | 131 Ų | 131 | 79% | 0.794 | 66% | 0.659 | S | S | * | * | trans | 63.5 | 23.4 | 140.8 | -162.2 | 169.1 | -15.2 | 0 | 0 | 116.1 | Q51 | Q51-Q53 PolarHBondContact O-N 2.97Š| ||
| 54 | K | 41.3 | Very low | 46.1 | Very low | 151 Ų | 151 | 131 Ų | 131 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | trans | -74.9 | 131.2 | 160.5 | -82.9 | -172.2 | 175.2 | -173.6 | 0 | 107.4 | K52 | K52-K54 VanDerWaalsContact C-N 3.27Å; K52-K54 PolarHBondContact O-N 2.92Å | ||
| 55 | S | 51.5 | Low | 47.3 | Very low | 50 Ų | 50 | 128.4 Ų | 128.4 | 35% | 0.35 | 63% | 0.63 | S | S | . | * | S | Bend | trans | 81 | 66.1 | 170.2 | -133.3 | 0 | 0 | 0 | 0 | 117 | ||
| 56 | R | 51.8 | Low | 47.8 | Very low | 212 Ų | 212 | 126.5 Ų | 126.5 | 80% | 0.8 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -120.8 | -18.8 | 142.1 | -149.5 | -171.5 | -91 | -139.5 | 0.6 | 112.2 | K60 | R56-K60 WeakPolarHBondContact O-CG 3.32Š|
| 57 | R | 50.4 | Low | 48 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -96 | -37.2 | 174.4 | -66.2 | -175.7 | 77.6 | -171.4 | 8.1 | 112.9 | E59 K60 V61 E94 | R57-E59 VanDerWaalsContact C-N 3.33Å; R57-K60 CarbonylContact O-C 3.58Å; R57-K60 WeakPolarHBondContact O-CA 3.18Å; R57-K60 WeakPolarHBondContact O-CB 3.45Å; R57-K60 PolarHBondContact O-N 3.35Å; R57-V61 WeakPolarHBondContact O-CG2 2.8Å; R57-V61 PolarHBondContact O-N 3.44Å; R57-E94 IonicContact CZ-OE1 3.63Å; R57-E94 IonicContact NE-OE1 3.8Å; R57-E94 IonicContact NH1-OE1 2.81Å; R57-E94 PolarHBondContact NH1-OE1 3.14Å |
| 58 | I | 49.6 | Very low | 48.3 | Very low | 57 Ų | 57 | 124.3 Ų | 124.3 | 29% | 0.292 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.4 | -43.1 | 175.4 | -60.3 | 172.9 | 0 | 0 | 0 | 109.9 | K60 V61 L62 | I58-K60 VanDerWaalsContact C-N 3.29Å; I58-K60 PolarHBondContact O-N 3.01Å; I58-V61 PolarHBondContact O-N 3.47Å; I58-V61 VanDerWaalsContact O-N 3.17Å; I58-L62 HydrophobicContact CG2-CD1 4.19Å; I58-L62 WeakPolarHBondContact O-CG 3.46Å; I58-L62 PolarHBondContact O-N 3.4Å |
| 59 | E | 53.1 | Low | 49 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -54.6 | -43.1 | 168.6 | -93.7 | 169.7 | -164.8 | 0 | 0 | 112.6 | R57 V61 L62 E63 | R57-E59 VanDerWaalsContact C-N 3.33Å; E59-V61 PolarHBondContact O-N 2.97Å; E59-L62 PolarHBondContact O-N 3.28Å; E59-E63 VanDerWaalsContact O-CB 3.27Å; E59-E63 WeakPolarHBondContact O-CB 3.47Å; E59-E63 VanDerWaalsContact O-CG 3.28Å; E59-E63 WeakPolarHBondContact O-CG 3.28Å; E59-E63 PolarHBondContact O-N 3.36Å |
| 60 | K | 55.5 | Low | 49.4 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.3 | -33.5 | 177.4 | -78.8 | -176.8 | 160.6 | -169 | 0 | 113.7 | R56 R57 I58 W64 | R56-K60 WeakPolarHBondContact O-CG 3.32Å; R57-K60 CarbonylContact O-C 3.58Å; R57-K60 WeakPolarHBondContact O-CA 3.18Å; R57-K60 WeakPolarHBondContact O-CB 3.45Å; R57-K60 PolarHBondContact O-N 3.35Å; I58-K60 VanDerWaalsContact C-N 3.29Å; I58-K60 PolarHBondContact O-N 3.01Å; K60-W64 WeakPolarHBondContact O-CB 3.4Å; K60-W64 PolarHBondContact O-N 2.96Å |
| 61 | V | 56.5 | Low | 49.7 | Very low | 43 Ų | 43 | 124 Ų | 124 | 26% | 0.261 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.1 | -42.7 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 110 | R57 I58 E59 W64 L65 F90 | R57-V61 WeakPolarHBondContact O-CG2 2.8Å; R57-V61 PolarHBondContact O-N 3.44Å; I58-V61 PolarHBondContact O-N 3.47Å; I58-V61 VanDerWaalsContact O-N 3.17Å; E59-V61 PolarHBondContact O-N 2.97Å; V61-W64 PolarHBondContact O-N 2.93Å; V61-L65 HydrophobicContact CG1-CD1 4.02Å; V61-L65 WeakPolarHBondContact O-CD1 3.5Å; V61-L65 PolarHBondContact O-N 3.18Å; V61-F90 HydrophobicContact CG1-CE1 4.15Å; V61-F90 HydrophobicContact CG1-CZ 3.88Å; V61-F90 HydrophobicContact CG2-CE1 4.29Å |
| 62 | L | 54.1 | Low | 49.3 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 41% | 0.414 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -39.5 | 175.1 | -66.8 | 173.9 | 0 | 0 | 0 | 111.9 | I58 E59 L65 F66 | I58-L62 HydrophobicContact CG2-CD1 4.19Å; I58-L62 WeakPolarHBondContact O-CG 3.46Å; I58-L62 PolarHBondContact O-N 3.4Å; E59-L62 PolarHBondContact O-N 3.28Å; L62-L65 PolarHBondContact O-N 3.21Å; L62-F66 WeakPolarHBondContact O-CB 3.33Å; L62-F66 PolarHBondContact O-N 3.48Å |
| 63 | E | 51.4 | Low | 49.6 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.2 | -42.9 | 169.6 | -82 | -108.1 | 144.2 | 0 | 0 | 111.5 | E59 F66 I67 | E59-E63 VanDerWaalsContact O-CB 3.27Å; E59-E63 WeakPolarHBondContact O-CB 3.47Å; E59-E63 VanDerWaalsContact O-CG 3.28Å; E59-E63 WeakPolarHBondContact O-CG 3.28Å; E59-E63 PolarHBondContact O-N 3.36Å; E63-F66 CarbonylContact O-C 3.56Å; E63-F66 WeakPolarHBondContact O-CB 3.37Å; E63-F66 PolarHBondContact O-N 3.44Å; E63-F66 VanDerWaalsContact O-N 3.14Å; E63-I67 WeakPolarHBondContact O-CB 3.34Å; E63-I67 WeakPolarHBondContact O-CD1 3.47Å; E63-I67 WeakPolarHBondContact O-CG1 3.47Å; E63-I67 PolarHBondContact O-N 3.3Å |
| 64 | W | 54 | Low | 49.7 | Very low | 178 Ų | 178 | 120.5 Ų | 120.5 | 67% | 0.674 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.2 | -39.2 | 175.9 | -102.2 | 83.9 | 0 | 0 | 0 | 113.5 | K60 V61 F66 I67 S68 | K60-W64 WeakPolarHBondContact O-CB 3.4Å; K60-W64 PolarHBondContact O-N 2.96Å; V61-W64 PolarHBondContact O-N 2.93Å; W64-F66 PolarHBondContact O-N 3.44Å; W64-I67 PolarHBondContact O-N 3.44Å; W64-S68 WeakPolarHBondContact O-CB 3.33Å; W64-S68 PolarHBondContact O-N 3.16Å; W64-S68 PolarHBondContact O-OG 3.24Å |
| 65 | L | 57.8 | Low | 49.7 | Very low | 66 Ų | 66 | 119.8 Ų | 119.8 | 35% | 0.346 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.9 | -35.9 | 171.2 | -94.8 | 133.5 | 0 | 0 | 0 | 111.4 | V61 L62 L105 V109 | V61-L65 HydrophobicContact CG1-CD1 4.02Å; V61-L65 WeakPolarHBondContact O-CD1 3.5Å; V61-L65 PolarHBondContact O-N 3.18Å; L62-L65 PolarHBondContact O-N 3.21Å; L65-L105 HydrophobicContact CD2-CD2 3.75Å; L65-L105 HydrophobicContact CD2-CG 4.01Å; L65-V109 HydrophobicContact CD2-CG2 4.12Å |
| 66 | F | 46.7 | Very low | 49.1 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.3 | -43.3 | 175.8 | -163.2 | -102 | 0 | 0 | 0 | 111.9 | L62 E63 W64 S68 Q69 | L62-F66 WeakPolarHBondContact O-CB 3.33Å; L62-F66 PolarHBondContact O-N 3.48Å; E63-F66 CarbonylContact O-C 3.56Å; E63-F66 WeakPolarHBondContact O-CB 3.37Å; E63-F66 PolarHBondContact O-N 3.44Å; E63-F66 VanDerWaalsContact O-N 3.14Å; W64-F66 PolarHBondContact O-N 3.44Å; F66-S68 VanDerWaalsContact C-N 3.27Å; F66-S68 PolarHBondContact O-N 3.18Å; F66-Q69 VanDerWaalsContact O-CB 3.26Å; F66-Q69 WeakPolarHBondContact O-CB 3.46Å; F66-Q69 PolarHBondContact O-N 2.87Å; F66-Q69 VanDerWaalsContact O-N 3.08Å |
| 67 | I | 47.9 | Very low | 48.8 | Very low | 76 Ų | 76 | 121.4 Ų | 121.4 | 39% | 0.39 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.1 | -31.6 | 175.9 | -67.3 | 162.2 | 0 | 0 | 0 | 111.5 | E63 W64 Q69 E70 | E63-I67 WeakPolarHBondContact O-CB 3.34Å; E63-I67 WeakPolarHBondContact O-CD1 3.47Å; E63-I67 WeakPolarHBondContact O-CG1 3.47Å; E63-I67 PolarHBondContact O-N 3.3Å; W64-I67 PolarHBondContact O-N 3.44Å; I67-Q69 PolarHBondContact O-N 3.09Å; I67-E70 CarbonylContact O-C 3.47Å; I67-E70 PolarHBondContact O-N 2.66Å; I67-E70 VanDerWaalsContact O-O 3.1Å |
| 68 | S | 46.9 | Very low | 48.6 | Very low | 75 Ų | 75 | 123 Ų | 123 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.8 | -20.1 | 176.1 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | W64 F66 E70 | W64-S68 WeakPolarHBondContact O-CB 3.33Å; W64-S68 PolarHBondContact O-N 3.16Å; W64-S68 PolarHBondContact O-OG 3.24Å; F66-S68 VanDerWaalsContact C-N 3.27Å; F66-S68 PolarHBondContact O-N 3.18Å; S68-E70 VanDerWaalsContact C-N 3.34Å |
| 69 | Q | 46.3 | Very low | 49.1 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 74% | 0.738 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -18 | 173.5 | -162.6 | 165.2 | 44.8 | 0 | 0 | 112.7 | F66 I67 | F66-Q69 VanDerWaalsContact O-CB 3.26Å; F66-Q69 WeakPolarHBondContact O-CB 3.46Å; F66-Q69 PolarHBondContact O-N 2.87Å; F66-Q69 VanDerWaalsContact O-N 3.08Å; I67-Q69 PolarHBondContact O-N 3.09Å |
| 70 | E | 46.1 | Very low | 49.5 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -110.8 | 88.6 | 177.2 | -79.4 | 166.2 | 150.8 | 0 | 0 | 110.4 | I67 S68 P72 | I67-E70 CarbonylContact O-C 3.47Å; I67-E70 PolarHBondContact O-N 2.66Å; I67-E70 VanDerWaalsContact O-O 3.1Å; S68-E70 VanDerWaalsContact C-N 3.34Å; E70-P72 WeakPolarHBondContact O-CD 3.43Å |
| 71 | Q | 43.4 | Very low | 49.9 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 75% | 0.752 | 61% | 0.611 | S | S | * | * | trans | -54 | 119.7 | -176.8 | -69.2 | -72.5 | -9.8 | 0 | 0 | 113.2 | ||||
| 72 | P | 45 | Very low | 50.5 | Low | 83 Ų | 83 | 120 Ų | 120 | 54% | 0.539 | 62% | 0.616 | S | S | . | * | trans | -72.5 | 136.5 | 166.2 | -7.6 | 24.1 | 0 | 0 | 0 | 109.6 | E70 I74 | E70-P72 WeakPolarHBondContact O-CD 3.43Å; P72-I74 HydrophobicContact CB-CG1 4.4Å; P72-I74 PolarHBondContact O-N 3.5Å | ||
| 73 | K | 47.6 | Very low | 51.2 | Low | 205 Ų | 205 | 117.3 Ų | 117.3 | 89% | 0.891 | 60% | 0.601 | S | S | * | * | trans | -70.9 | 95.3 | 168.4 | -63.9 | 176 | -177.3 | 175 | 0 | 108.6 | T75 | K73-T75 PolarHBondContact O-N 2.8Š| ||
| 74 | I | 47.5 | Very low | 52.1 | Low | 129 Ų | 129 | 117.7 Ų | 117.7 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | trans | -82.8 | 97.8 | -179 | -54.2 | 172.6 | 0 | 0 | 0 | 109.3 | P72 | P72-I74 HydrophobicContact CB-CG1 4.4Å; P72-I74 PolarHBondContact O-N 3.5Å | ||
| 75 | T | 40.2 | Very low | 52.9 | Low | 135 Ų | 135 | 114.3 Ų | 114.3 | 83% | 0.828 | 60% | 0.6 | S | S | * | * | trans | -101 | 73.7 | 166 | 58.2 | 0 | 0 | 0 | 0 | 110 | K73 | K73-T75 PolarHBondContact O-N 2.8Š| ||
| 76 | K | 39.8 | Very low | 53.6 | Low | 169 Ų | 169 | 113.5 Ų | 113.5 | 74% | 0.735 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -157.8 | 129 | 160.2 | -117.2 | 169.6 | -179.3 | 173.5 | 0 | 107.7 | W78 | K76-W78 VanDerWaalsContact C-N 3.27Å; K76-W78 PolarHBondContact O-N 3.05Å |
| 77 | S | 45.3 | Very low | 54.9 | Low | 127 Ų | 127 | 109.5 Ų | 109.5 | 89% | 0.888 | 58% | 0.58 | S | S | * | * | trans | -71.4 | 83.9 | 178.6 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 78 | W | 46.8 | Very low | 56.2 | Low | 201 Ų | 201 | 109 Ų | 109 | 76% | 0.761 | 58% | 0.58 | S | S | * | * | trans | -68.2 | 145.5 | 160.7 | -69.6 | 82 | 0 | 0 | 0 | 107.3 | K76 | K76-W78 VanDerWaalsContact C-N 3.27Å; K76-W78 PolarHBondContact O-N 3.05Å | ||
| 79 | G | 58.8 | Low | 57.5 | Low | 52 Ų | 52 | 111 Ų | 111 | 54% | 0.536 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -58.6 | -171.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L81 | G79-L81 PolarHBondContact O-N 3.38Š|
| 80 | P | 61.9 | Low | 58.9 | Low | 113 Ų | 113 | 104.8 Ų | 104.8 | 73% | 0.734 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -54.3 | 118 | -178.9 | 22 | -31.3 | 0 | 0 | 0 | 110.4 | S82 Y122 | P80-S82 PolarHBondContact O-N 3.13Å; P80-Y122 HydrophobicContact CB-CD1 4.12Å; P80-Y122 HydrophobicContact CB-CE1 3.94Å |
| 81 | L | 64.4 | Low | 60.2 | Low | 72 Ų | 72 | 101.4 Ų | 101.4 | 38% | 0.377 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 128.5 | 179.6 | -69.7 | 173.5 | 0 | 0 | 0 | 108.6 | G79 L117 Y122 | G79-L81 PolarHBondContact O-N 3.38Å; L81-L117 HydrophobicContact CB-CD2 4.25Å; L81-Y122 HydrophobicContact CB-CD2 4.32Å; L81-Y122 HydrophobicContact CB-CE2 4.26Å; L81-Y122 HydrophobicContact CD1-CE2 4.49Å; L81-Y122 WeakPolarHBondContact O-CB 3.48Å |
| 82 | S | 67.8 | Low | 61.5 | Low | 52 Ų | 52 | 99.5 Ų | 99.5 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 159.8 | 176.3 | 78.2 | 0 | 0 | 0 | 0 | 110.4 | P80 M84 D85 | P80-S82 PolarHBondContact O-N 3.13Å; S82-M84 PolarHBondContact O-N 3.19Å; S82-M84 VanDerWaalsContact O-N 3.13Å; S82-M84 PolarHBondContact OG-N 3.01Å; S82-D85 WeakPolarHBondContact CA-OD2 3.47Å; S82-D85 WeakPolarHBondContact CB-OD2 3.46Å; S82-D85 PolarHBondContact N-OD2 3.33Å; S82-D85 WeakPolarHBondContact O-CB 3.44Å; S82-D85 PolarHBondContact O-N 3.25Å; S82-D85 PolarHBondContact OG-OD2 3.32Å |
| 83 | F | 69.8 | Low | 62.8 | Low | 22 Ų | 22 | 101.6 Ų | 101.6 | 10% | 0.096 | 53% | 0.532 | C | S | . | . | G | 310 helix | trans | -57.1 | -28.2 | 173 | -178.5 | -104.7 | 0 | 0 | 0 | 112.5 | D85 V86 F87 M110 Y114 L117 P127 I129 I130 | F83-D85 PolarHBondContact O-N 3.46Å; F83-V86 HydrophobicContact CD2-CG2 4.16Å; F83-V86 WeakPolarHBondContact O-CG2 3.4Å; F83-V86 PolarHBondContact O-N 2.82Å; F83-F87 HydrophobicContact CD1-CB 4.46Å; F83-F87 HydrophobicContact CD1-CD2 4.42Å; F83-F87 HydrophobicContact CE1-CB 4.24Å; F83-F87 AromaticContact CE1-CD2 3.51Å; F83-F87 HydrophobicContact CE1-CD2 3.51Å; F83-F87 HydrophobicContact CE1-CE2 4.36Å; F83-F87 HydrophobicContact CE1-CG 4.25Å; F83-F87 AromaticContact CZ-CD2 3.89Å; F83-F87 HydrophobicContact CZ-CD2 3.89Å; F83-F87 VanDerWaalsContact O-CB 3.3Å; F83-F87 WeakPolarHBondContact O-CB 3.4Å; F83-F87 PolarHBondContact O-N 2.89Å; F83-M110 HydrophobicContact CE1-CE 4.26Å; F83-M110 HydrophobicContact CE2-CE 4.13Å; F83-M110 HydrophobicContact CZ-CE 3.52Å; F83-Y114 HydrophobicContact CD2-CD2 4.2Å; F83-L117 HydrophobicContact CB-CD1 4.02Å; F83-L117 HydrophobicContact CD2-CD1 3.91Å; F83-L117 HydrophobicContact CG-CD1 4.48Å; F83-P127 HydrophobicContact CB-CG 4.26Å; F83-P127 HydrophobicContact CD1-CB 4.34Å; F83-P127 HydrophobicContact CD1-CG 3.49Å; F83-P127 VanDerWaalsContact CD1-CG 3.49Å; F83-P127 HydrophobicContact CE1-CG 4Å; F83-P127 HydrophobicContact CG-CG 3.91Å; F83-I129 HydrophobicContact CD1-CG2 4.5Å; F83-I129 HydrophobicContact CE1-CG2 3.66Å; F83-I129 HydrophobicContact CZ-CG2 4.42Å; F83-I130 HydrophobicContact CD2-CD1 4.43Å; F83-I130 HydrophobicContact CD2-CG1 4.4Å; F83-I130 HydrophobicContact CE1-CD1 4.05Å; F83-I130 HydrophobicContact CE1-CG1 3.95Å; F83-I130 HydrophobicContact CE2-CD1 3.48Å; F83-I130 VanDerWaalsContact CE2-CD1 3.48Å; F83-I130 HydrophobicContact CE2-CG1 3.87Å; F83-I130 HydrophobicContact CZ-CD1 3.24Å; F83-I130 HydrophobicContact CZ-CG1 3.61Å |
| 84 | M | 70.4 | Confident | 63.9 | Low | 133 Ų | 133 | 94.4 Ų | 94.4 | 66% | 0.655 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -69.2 | -23.4 | 179.4 | -140.7 | 62 | 75.2 | 0 | 0 | 112.9 | S82 V86 F87 | S82-M84 PolarHBondContact O-N 3.19Å; S82-M84 VanDerWaalsContact O-N 3.13Å; S82-M84 PolarHBondContact OG-N 3.01Å; M84-V86 VanDerWaalsContact C-N 3.32Å; M84-F87 HydrophobicContact SD-CB 4.37Å; M84-F87 HydrophobicContact SD-CD1 4.32Å; M84-F87 HydrophobicContact SD-CG 4.43Å |
| 85 | D | 70.4 | Confident | 65.3 | Low | 108 Ų | 108 | 88.8 Ų | 88.8 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -76.4 | -22 | 178.6 | -58.7 | -62.5 | 0 | 0 | 0 | 112.7 | S82 F83 | S82-D85 WeakPolarHBondContact CA-OD2 3.47Å; S82-D85 WeakPolarHBondContact CB-OD2 3.46Å; S82-D85 PolarHBondContact N-OD2 3.33Å; S82-D85 WeakPolarHBondContact O-CB 3.44Å; S82-D85 PolarHBondContact O-N 3.25Å; S82-D85 PolarHBondContact OG-OD2 3.32Å; F83-D85 PolarHBondContact O-N 3.46Å |
| 86 | V | 71.8 | Confident | 67 | Low | 49 Ų | 49 | 87.2 Ų | 87.2 | 30% | 0.297 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -109.7 | 1.3 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | F83 M84 N113 L117 | F83-V86 HydrophobicContact CD2-CG2 4.16Å; F83-V86 WeakPolarHBondContact O-CG2 3.4Å; F83-V86 PolarHBondContact O-N 2.82Å; M84-V86 VanDerWaalsContact C-N 3.32Å; V86-N113 HydrophobicContact CG2-CB 4.18Å; V86-L117 HydrophobicContact CG2-CD1 3.62Å; V86-L117 HydrophobicContact CG2-CG 4.47Å |
| 87 | F | 74.3 | Confident | 68.8 | Low | 46 Ų | 46 | 83.5 Ų | 83.5 | 20% | 0.202 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 123.7 | -178.3 | 179.6 | -99 | 0 | 0 | 0 | 110.5 | F83 M84 D89 Y106 M110 I129 | F83-F87 HydrophobicContact CD1-CB 4.46Å; F83-F87 HydrophobicContact CD1-CD2 4.42Å; F83-F87 HydrophobicContact CE1-CB 4.24Å; F83-F87 AromaticContact CE1-CD2 3.51Å; F83-F87 HydrophobicContact CE1-CD2 3.51Å; F83-F87 HydrophobicContact CE1-CE2 4.36Å; F83-F87 HydrophobicContact CE1-CG 4.25Å; F83-F87 AromaticContact CZ-CD2 3.89Å; F83-F87 HydrophobicContact CZ-CD2 3.89Å; F83-F87 VanDerWaalsContact O-CB 3.3Å; F83-F87 WeakPolarHBondContact O-CB 3.4Å; F83-F87 PolarHBondContact O-N 2.89Å; M84-F87 HydrophobicContact SD-CB 4.37Å; M84-F87 HydrophobicContact SD-CD1 4.32Å; M84-F87 HydrophobicContact SD-CG 4.43Å; F87-D89 HydrophobicContact CD1-CB 3.99Å; F87-D89 VanDerWaalsContact CE1-CA 3.47Å; F87-D89 HydrophobicContact CE1-CB 3.48Å; F87-D89 VanDerWaalsContact CE1-CB 3.48Å; F87-D89 HydrophobicContact CZ-CB 4.45Å; F87-Y106 WeakPolarHBondContact CE2-OH 3.28Å; F87-Y106 WeakPolarHBondContact CZ-OH 3.27Å; F87-M110 HydrophobicContact CB-CE 4.02Å; F87-M110 HydrophobicContact CD2-CE 3.09Å; F87-M110 HydrophobicContact CE2-CE 3.7Å; F87-M110 HydrophobicContact CG-CE 3.87Å; F87-I129 HydrophobicContact CE2-CD1 3.39Å; F87-I129 HydrophobicContact CE2-CG1 4.14Å; F87-I129 HydrophobicContact CE2-CG2 4.29Å; F87-I129 HydrophobicContact CZ-CD1 3.46Å; F87-I129 VanDerWaalsContact CZ-CD1 3.46Å |
| 88 | V | 76.6 | Confident | 70.1 | Confident | 64 Ų | 64 | 78.2 Ų | 78.2 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 117.7 | 167.9 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | F90 Y106 | V88-F90 HydrophobicContact CG1-CE2 3.93Å; V88-F90 HydrophobicContact CG1-CZ 3.95Å; V88-Y106 HydrophobicContact CB-CE2 4.13Å; V88-Y106 VanDerWaalsContact O-CE2 3.23Å; V88-Y106 WeakPolarHBondContact O-CE2 3.31Å; V88-Y106 PolarHBondContact O-OH 2.93Å |
| 89 | D | 73.7 | Confident | 71.5 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -89 | 136.4 | 175.7 | 74.8 | -32.9 | 0 | 0 | 0 | 111 | F87 | F87-D89 HydrophobicContact CD1-CB 3.99Å; F87-D89 VanDerWaalsContact CE1-CA 3.47Å; F87-D89 HydrophobicContact CE1-CB 3.48Å; F87-D89 VanDerWaalsContact CE1-CB 3.48Å; F87-D89 HydrophobicContact CZ-CB 4.45Å |
| 90 | F | 74.4 | Confident | 72.3 | Confident | 27 Ų | 27 | 74 Ų | 74 | 12% | 0.118 | 39% | 0.389 | C | S | . | . | trans | -116.1 | 145.3 | 166.6 | -68.3 | -75.5 | 0 | 0 | 0 | 107.7 | V61 V88 E94 W95 L98 Y106 M141 | V61-F90 HydrophobicContact CG1-CE1 4.15Å; V61-F90 HydrophobicContact CG1-CZ 3.88Å; V61-F90 HydrophobicContact CG2-CE1 4.29Å; V88-F90 HydrophobicContact CG1-CE2 3.93Å; V88-F90 HydrophobicContact CG1-CZ 3.95Å; F90-E94 HydrophobicContact CB-CB 4.42Å; F90-E94 HydrophobicContact CD1-CB 4.3Å; F90-W95 HydrophobicContact CB-CB 4.31Å; F90-W95 HydrophobicContact CB-CE3 4.25Å; F90-W95 AromaticContact CD2-CE3 3.9Å; F90-W95 HydrophobicContact CD2-CE3 3.9Å; F90-W95 HydrophobicContact CD2-CZ3 4.1Å; F90-W95 HydrophobicContact CG-CE3 4.27Å; F90-L98 HydrophobicContact CD1-CD1 4.23Å; F90-L98 HydrophobicContact CD2-CD1 4.21Å; F90-L98 HydrophobicContact CE1-CD1 4.15Å; F90-L98 HydrophobicContact CE1-CD2 4.45Å; F90-L98 HydrophobicContact CE2-CD1 4.12Å; F90-L98 HydrophobicContact CG-CD1 4.26Å; F90-L98 HydrophobicContact CZ-CD1 4.09Å; F90-Y106 HydrophobicContact CD2-CD2 4.09Å; F90-Y106 AromaticContact CD2-CE2 3.81Å; F90-Y106 HydrophobicContact CD2-CE2 3.81Å; F90-Y106 AromaticContact CE2-CD2 3.45Å; F90-Y106 HydrophobicContact CE2-CD2 3.45Å; F90-Y106 VanDerWaalsContact CE2-CD2 3.45Å; F90-Y106 AromaticContact CE2-CE2 3.54Å; F90-Y106 HydrophobicContact CE2-CE2 3.54Å; F90-Y106 HydrophobicContact CE2-CG 4.16Å; F90-M141 HydrophobicContact CB-CE 4.41Å; F90-M141 WeakPolarHBondContact O-CE 3.24Å | ||
| 91 | T | 74.4 | Confident | 72.9 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | trans | -72.8 | 163.8 | 163.2 | 75 | 0 | 0 | 0 | 0 | 110 | E93 E94 W95 M141 | T91-E93 WeakPolarHBondContact CB-OE2 3.36Å; T91-E93 PolarHBondContact O-N 2.84Å; T91-E93 PolarHBondContact OG1-OE2 3.22Å; T91-E93 VanDerWaalsContact OG1-OE2 3.13Å; T91-E94 PolarHBondContact N-OE2 2.98Å; T91-E94 PolarHBondContact O-N 3.23Å; T91-E94 WeakPolarHBondContact OG1-CG 3.41Å; T91-E94 PolarHBondContact OG1-N 3.44Å; T91-W95 WeakPolarHBondContact O-CB 3.41Å; T91-W95 PolarHBondContact O-N 2.8Å; T91-M141 VanDerWaalsContact C-CE 3.46Å; T91-M141 WeakPolarHBondContact O-CE 3.49Å | ||
| 92 | W | 71.3 | Confident | 73.4 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 177.3 | 179.2 | -112 | 0 | 0 | 0 | 111.7 | W95 Q96 | W92-W95 PolarHBondContact O-N 2.86Å; W92-Q96 HydrophobicContact CD2-CG 4.43Å; W92-Q96 HydrophobicContact CZ2-CG 4.35Å; W92-Q96 WeakPolarHBondContact O-CG 3.42Å; W92-Q96 PolarHBondContact O-N 3.4Å |
| 93 | E | 71.2 | Confident | 73.9 | Confident | 127 Ų | 127 | 69.3 Ų | 69.3 | 59% | 0.593 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 178.2 | -58.4 | 71.7 | -153.8 | 0 | 0 | 111.7 | T91 L97 | T91-E93 WeakPolarHBondContact CB-OE2 3.36Å; T91-E93 PolarHBondContact O-N 2.84Å; T91-E93 PolarHBondContact OG1-OE2 3.22Å; T91-E93 VanDerWaalsContact OG1-OE2 3.13Å; E93-L97 VanDerWaalsContact O-CG 3.28Å; E93-L97 WeakPolarHBondContact O-CG 3.44Å; E93-L97 PolarHBondContact O-N 2.94Å |
| 94 | E | 72.1 | Confident | 74.2 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 176.1 | -72.2 | 174.2 | 154.7 | 0 | 0 | 111.1 | R57 F90 T91 L97 L98 | R57-E94 IonicContact CZ-OE1 3.63Å; R57-E94 IonicContact NE-OE1 3.8Å; R57-E94 IonicContact NH1-OE1 2.81Å; R57-E94 PolarHBondContact NH1-OE1 3.14Å; F90-E94 HydrophobicContact CB-CB 4.42Å; F90-E94 HydrophobicContact CD1-CB 4.3Å; T91-E94 PolarHBondContact N-OE2 2.98Å; T91-E94 PolarHBondContact O-N 3.23Å; T91-E94 WeakPolarHBondContact OG1-CG 3.41Å; T91-E94 PolarHBondContact OG1-N 3.44Å; E94-L97 PolarHBondContact O-N 2.91Å; E94-L98 PolarHBondContact O-N 3.26Å |
| 95 | W | 76.4 | Confident | 74.6 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.2 | -176.1 | -101.6 | 0 | 0 | 0 | 112.2 | F90 T91 W92 L97 L98 K103 Y106 L139 M141 | F90-W95 HydrophobicContact CB-CB 4.31Å; F90-W95 HydrophobicContact CB-CE3 4.25Å; F90-W95 AromaticContact CD2-CE3 3.9Å; F90-W95 HydrophobicContact CD2-CE3 3.9Å; F90-W95 HydrophobicContact CD2-CZ3 4.1Å; F90-W95 HydrophobicContact CG-CE3 4.27Å; T91-W95 WeakPolarHBondContact O-CB 3.41Å; T91-W95 PolarHBondContact O-N 2.8Å; W92-W95 PolarHBondContact O-N 2.86Å; W95-L97 PolarHBondContact O-N 3.38Å; W95-L98 HydrophobicContact CD2-CD1 4.38Å; W95-L98 HydrophobicContact CE3-CD1 3.65Å; W95-L98 HydrophobicContact CZ3-CD1 3.94Å; W95-L98 PolarHBondContact O-N 3.17Å; W95-K103 HydrophobicContact CH2-CB 4.07Å; W95-K103 HydrophobicContact CH2-CG 4.03Å; W95-K103 HydrophobicContact CZ2-CB 4.06Å; W95-K103 HydrophobicContact CZ2-CD 4.28Å; W95-K103 HydrophobicContact CZ2-CG 3.84Å; W95-K103 HydrophobicContact CZ3-CG 4.49Å; W95-K103 WeakPolarHBondContact O-CE 3.47Å; W95-K103 PolarHBondContact O-NZ 2.78Å; W95-Y106 AromaticContact CH2-CD1 3.42Å; W95-Y106 HydrophobicContact CH2-CD1 3.42Å; W95-Y106 VanDerWaalsContact CH2-CD1 3.42Å; W95-Y106 AromaticContact CH2-CE1 3.98Å; W95-Y106 HydrophobicContact CH2-CE1 3.98Å; W95-Y106 HydrophobicContact CH2-CG 4.12Å; W95-Y106 AromaticContact CZ3-CD1 3.32Å; W95-Y106 HydrophobicContact CZ3-CD1 3.32Å; W95-Y106 AromaticContact CZ3-CE1 3.69Å; W95-Y106 HydrophobicContact CZ3-CE1 3.69Å; W95-Y106 AromaticContact CZ3-CG 3.75Å; W95-Y106 HydrophobicContact CZ3-CG 3.75Å; W95-L139 HydrophobicContact CH2-CD1 3.72Å; W95-L139 HydrophobicContact CZ2-CB 4.15Å; W95-L139 HydrophobicContact CZ2-CD1 3.83Å; W95-L139 HydrophobicContact CZ2-CG 4.49Å; W95-L139 HydrophobicContact CZ3-CD1 4.33Å; W95-M141 HydrophobicContact CB-CE 3.94Å; W95-M141 HydrophobicContact CG-CE 4.41Å |
| 96 | Q | 74.3 | Confident | 75.1 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -30.2 | 177.1 | -72 | -56.5 | -45.7 | 0 | 0 | 112.5 | W92 L98 | W92-Q96 HydrophobicContact CD2-CG 4.43Å; W92-Q96 HydrophobicContact CZ2-CG 4.35Å; W92-Q96 WeakPolarHBondContact O-CG 3.42Å; W92-Q96 PolarHBondContact O-N 3.4Å; Q96-L98 VanDerWaalsContact C-N 3.35Å |
| 97 | L | 77.7 | Confident | 75.4 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 48% | 0.482 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -10.3 | 179.4 | -68 | 172.4 | 0 | 0 | 0 | 114.4 | E93 E94 W95 | E93-L97 VanDerWaalsContact O-CG 3.28Å; E93-L97 WeakPolarHBondContact O-CG 3.44Å; E93-L97 PolarHBondContact O-N 2.94Å; E94-L97 PolarHBondContact O-N 2.91Å; W95-L97 PolarHBondContact O-N 3.38Å |
| 98 | L | 73.7 | Confident | 75.4 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -75.4 | 137.7 | 177.1 | -67.9 | 171.6 | 0 | 0 | 0 | 111.4 | F90 E94 W95 Q96 Q102 K103 | F90-L98 HydrophobicContact CD1-CD1 4.23Å; F90-L98 HydrophobicContact CD2-CD1 4.21Å; F90-L98 HydrophobicContact CE1-CD1 4.15Å; F90-L98 HydrophobicContact CE1-CD2 4.45Å; F90-L98 HydrophobicContact CE2-CD1 4.12Å; F90-L98 HydrophobicContact CG-CD1 4.26Å; F90-L98 HydrophobicContact CZ-CD1 4.09Å; E94-L98 PolarHBondContact O-N 3.26Å; W95-L98 HydrophobicContact CD2-CD1 4.38Å; W95-L98 HydrophobicContact CE3-CD1 3.65Å; W95-L98 HydrophobicContact CZ3-CD1 3.94Å; W95-L98 PolarHBondContact O-N 3.17Å; Q96-L98 VanDerWaalsContact C-N 3.35Å; L98-Q102 HydrophobicContact CB-CB 4.24Å; L98-Q102 HydrophobicContact CD2-CB 4.13Å; L98-Q102 VanDerWaalsContact CD2-OE1 3.32Å; L98-K103 HydrophobicContact CB-CD 4.44Å; L98-K103 HydrophobicContact CB-CG 3.76Å; L98-K103 HydrophobicContact CD1-CG 4.41Å; L98-K103 WeakPolarHBondContact O-CE 3.29Å; L98-K103 PolarHBondContact O-NZ 3.01Å; L98-K103 VanDerWaalsContact O-NZ 3.11Å |
| 99 | D | 76.3 | Confident | 75.5 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | trans | -65.1 | 152.4 | 173.6 | -65.1 | -41.5 | 0 | 0 | 0 | 110.5 | A101 Q102 K103 | D99-A101 PolarHBondContact O-N 2.9Å; D99-A101 VanDerWaalsContact O-N 3.12Å; D99-Q102 HydrophobicContact CB-CG 4.28Å; D99-Q102 VanDerWaalsContact N-OE1 3.14Å; D99-Q102 WeakPolarHBondContact O-CB 3.23Å; D99-Q102 PolarHBondContact O-N 3.48Å; D99-K103 PolarHBondContact O-N 3.37Å | ||
| 100 | P | 75.5 | Confident | 75.9 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52 | -38.1 | 177.9 | -27.8 | 35 | 0 | 0 | 0 | 113.4 | K103 C104 I185 | P100-K103 PolarHBondContact O-N 3.05Å; P100-C104 PolarHBondContact O-N 3.27Å; P100-C104 PolarHBondContact O-SG 3.43Å; P100-I185 HydrophobicContact CB-CG2 4.05Å |
| 101 | A | 74.2 | Confident | 76 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D99 C104 L105 | D99-A101 PolarHBondContact O-N 2.9Å; D99-A101 VanDerWaalsContact O-N 3.12Å; A101-C104 PolarHBondContact O-N 3.21Å; A101-L105 WeakPolarHBondContact O-CB 3.4Å; A101-L105 PolarHBondContact O-N 2.84Å |
| 102 | Q | 74.8 | Confident | 76.3 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.2 | -39.9 | 177.9 | -66.4 | 176.8 | -31 | 0 | 0 | 111.6 | L98 D99 C104 L105 Y106 | L98-Q102 HydrophobicContact CB-CB 4.24Å; L98-Q102 HydrophobicContact CD2-CB 4.13Å; L98-Q102 VanDerWaalsContact CD2-OE1 3.32Å; D99-Q102 HydrophobicContact CB-CG 4.28Å; D99-Q102 VanDerWaalsContact N-OE1 3.14Å; D99-Q102 WeakPolarHBondContact O-CB 3.23Å; D99-Q102 PolarHBondContact O-N 3.48Å; Q102-C104 VanDerWaalsContact C-N 3.3Å; Q102-C104 PolarHBondContact O-N 3.14Å; Q102-L105 PolarHBondContact O-N 3.47Å; Q102-Y106 WeakPolarHBondContact O-CB 3.42Å; Q102-Y106 PolarHBondContact O-N 3.39Å |
| 103 | K | 78.8 | Confident | 76.8 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 15% | 0.148 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 172.5 | -69.4 | 172.5 | 173.7 | 155.9 | 0 | 111.2 | W95 L98 D99 P100 Y106 R107 | W95-K103 HydrophobicContact CH2-CB 4.07Å; W95-K103 HydrophobicContact CH2-CG 4.03Å; W95-K103 HydrophobicContact CZ2-CB 4.06Å; W95-K103 HydrophobicContact CZ2-CD 4.28Å; W95-K103 HydrophobicContact CZ2-CG 3.84Å; W95-K103 HydrophobicContact CZ3-CG 4.49Å; W95-K103 WeakPolarHBondContact O-CE 3.47Å; W95-K103 PolarHBondContact O-NZ 2.78Å; L98-K103 HydrophobicContact CB-CD 4.44Å; L98-K103 HydrophobicContact CB-CG 3.76Å; L98-K103 HydrophobicContact CD1-CG 4.41Å; L98-K103 WeakPolarHBondContact O-CE 3.29Å; L98-K103 PolarHBondContact O-NZ 3.01Å; L98-K103 VanDerWaalsContact O-NZ 3.11Å; D99-K103 PolarHBondContact O-N 3.37Å; P100-K103 PolarHBondContact O-N 3.05Å; K103-Y106 PolarHBondContact O-N 2.98Å; K103-R107 WeakPolarHBondContact O-CG 3.15Å; K103-R107 PolarHBondContact O-N 3.36Å |
| 104 | C | 76.8 | Confident | 77.1 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 175.6 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | P100 A101 Q102 Y106 R107 S108 C182 | P100-C104 PolarHBondContact O-N 3.27Å; P100-C104 PolarHBondContact O-SG 3.43Å; A101-C104 PolarHBondContact O-N 3.21Å; Q102-C104 VanDerWaalsContact C-N 3.3Å; Q102-C104 PolarHBondContact O-N 3.14Å; C104-Y106 VanDerWaalsContact C-N 3.35Å; C104-R107 PolarHBondContact O-N 2.95Å; C104-S108 PolarHBondContact O-N 3.44Å; C104-S108 PolarHBondContact O-OG 3.35Å; C104-C182 HydrophobicContact CB-CB 4.27Å |
| 105 | L | 77.9 | Confident | 77.5 | Confident | 84 Ų | 84 | 51.7 Ų | 51.7 | 44% | 0.44 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.7 | -174.9 | 61.8 | 0 | 0 | 0 | 110.9 | L65 A101 Q102 R107 S108 V109 | L65-L105 HydrophobicContact CD2-CD2 3.75Å; L65-L105 HydrophobicContact CD2-CG 4.01Å; A101-L105 WeakPolarHBondContact O-CB 3.4Å; A101-L105 PolarHBondContact O-N 2.84Å; Q102-L105 PolarHBondContact O-N 3.47Å; L105-R107 PolarHBondContact O-N 3.23Å; L105-S108 PolarHBondContact O-N 2.96Å; L105-V109 HydrophobicContact CD1-CG2 4.14Å; L105-V109 HydrophobicContact CG-CG2 4.33Å; L105-V109 WeakPolarHBondContact O-CB 2.91Å; L105-V109 WeakPolarHBondContact O-CG2 3.46Å; L105-V109 PolarHBondContact O-N 3.26Å |
| 106 | Y | 80.1 | Confident | 77.7 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55 | -52.6 | 173.4 | 176.3 | -100.1 | 0 | 0 | 0 | 111.7 | F87 V88 F90 W95 Q102 K103 C104 S108 V109 M110 L139 | F87-Y106 WeakPolarHBondContact CE2-OH 3.28Å; F87-Y106 WeakPolarHBondContact CZ-OH 3.27Å; V88-Y106 HydrophobicContact CB-CE2 4.13Å; V88-Y106 VanDerWaalsContact O-CE2 3.23Å; V88-Y106 WeakPolarHBondContact O-CE2 3.31Å; V88-Y106 PolarHBondContact O-OH 2.93Å; F90-Y106 HydrophobicContact CD2-CD2 4.09Å; F90-Y106 AromaticContact CD2-CE2 3.81Å; F90-Y106 HydrophobicContact CD2-CE2 3.81Å; F90-Y106 AromaticContact CE2-CD2 3.45Å; F90-Y106 HydrophobicContact CE2-CD2 3.45Å; F90-Y106 VanDerWaalsContact CE2-CD2 3.45Å; F90-Y106 AromaticContact CE2-CE2 3.54Å; F90-Y106 HydrophobicContact CE2-CE2 3.54Å; F90-Y106 HydrophobicContact CE2-CG 4.16Å; W95-Y106 AromaticContact CH2-CD1 3.42Å; W95-Y106 HydrophobicContact CH2-CD1 3.42Å; W95-Y106 VanDerWaalsContact CH2-CD1 3.42Å; W95-Y106 AromaticContact CH2-CE1 3.98Å; W95-Y106 HydrophobicContact CH2-CE1 3.98Å; W95-Y106 HydrophobicContact CH2-CG 4.12Å; W95-Y106 AromaticContact CZ3-CD1 3.32Å; W95-Y106 HydrophobicContact CZ3-CD1 3.32Å; W95-Y106 AromaticContact CZ3-CE1 3.69Å; W95-Y106 HydrophobicContact CZ3-CE1 3.69Å; W95-Y106 AromaticContact CZ3-CG 3.75Å; W95-Y106 HydrophobicContact CZ3-CG 3.75Å; Q102-Y106 WeakPolarHBondContact O-CB 3.42Å; Q102-Y106 PolarHBondContact O-N 3.39Å; K103-Y106 PolarHBondContact O-N 2.98Å; C104-Y106 VanDerWaalsContact C-N 3.35Å; Y106-S108 PolarHBondContact O-N 3.44Å; Y106-V109 PolarHBondContact O-N 2.94Å; Y106-M110 HydrophobicContact CD1-CG 4.11Å; Y106-M110 HydrophobicContact CD2-CG 3.76Å; Y106-M110 HydrophobicContact CD2-SD 4.39Å; Y106-M110 HydrophobicContact CE1-CG 3.89Å; Y106-M110 HydrophobicContact CE2-CG 3.54Å; Y106-M110 HydrophobicContact CE2-SD 3.92Å; Y106-M110 HydrophobicContact CG-CG 4.11Å; Y106-M110 WeakPolarHBondContact O-CB 3.4Å; Y106-M110 WeakPolarHBondContact O-CG 3.35Å; Y106-M110 PolarHBondContact O-N 2.98Å; Y106-L139 HydrophobicContact CD1-CD1 4.11Å; Y106-L139 HydrophobicContact CE1-CD1 3.66Å |
| 107 | R | 78.5 | Confident | 77.9 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.3 | -43.8 | 178.3 | -67.4 | -159.7 | 175.9 | 110 | -19.4 | 112 | K103 C104 L105 L111 L133 E137 | K103-R107 WeakPolarHBondContact O-CG 3.15Å; K103-R107 PolarHBondContact O-N 3.36Å; C104-R107 PolarHBondContact O-N 2.95Å; L105-R107 PolarHBondContact O-N 3.23Å; R107-L111 WeakPolarHBondContact O-CB 3.26Å; R107-L111 VanDerWaalsContact O-CG 3.29Å; R107-L111 WeakPolarHBondContact O-CG 3.41Å; R107-L111 PolarHBondContact O-N 3.42Å; R107-L111 VanDerWaalsContact O-N 3.1Å; R107-L133 HydrophobicContact CB-CD2 3.9Å; R107-L133 HydrophobicContact CG-CD2 3.5Å; R107-L133 VanDerWaalsContact CG-CD2 3.5Å; R107-E137 PolarHBondContact NH2-O 2.89Å |
| 108 | S | 75.6 | Confident | 77.8 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.9 | -49.8 | -177.3 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | C104 L105 Y106 M110 L111 E112 | C104-S108 PolarHBondContact O-N 3.44Å; C104-S108 PolarHBondContact O-OG 3.35Å; L105-S108 PolarHBondContact O-N 2.96Å; Y106-S108 PolarHBondContact O-N 3.44Å; S108-M110 VanDerWaalsContact C-N 3.34Å; S108-M110 PolarHBondContact O-N 2.99Å; S108-L111 PolarHBondContact O-N 2.91Å; S108-E112 WeakPolarHBondContact O-CB 3.37Å; S108-E112 PolarHBondContact O-N 2.88Å |
| 109 | V | 77.9 | Confident | 77.9 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 178.8 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L65 L105 Y106 E112 N113 | L65-V109 HydrophobicContact CD2-CG2 4.12Å; L105-V109 HydrophobicContact CD1-CG2 4.14Å; L105-V109 HydrophobicContact CG-CG2 4.33Å; L105-V109 WeakPolarHBondContact O-CB 2.91Å; L105-V109 WeakPolarHBondContact O-CG2 3.46Å; L105-V109 PolarHBondContact O-N 3.26Å; Y106-V109 PolarHBondContact O-N 2.94Å; V109-E112 PolarHBondContact O-N 3.34Å; V109-N113 VanDerWaalsContact O-CB 3.31Å; V109-N113 WeakPolarHBondContact O-CB 3.23Å; V109-N113 PolarHBondContact O-N 3.1Å; V109-N113 PolarHBondContact O-ND2 3.36Å |
| 110 | M | 81.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.6 | -35.8 | -179.2 | -66.8 | -50.8 | -73.8 | 0 | 0 | 113.3 | F83 F87 Y106 S108 Y114 L133 | F83-M110 HydrophobicContact CE1-CE 4.26Å; F83-M110 HydrophobicContact CE2-CE 4.13Å; F83-M110 HydrophobicContact CZ-CE 3.52Å; F87-M110 HydrophobicContact CB-CE 4.02Å; F87-M110 HydrophobicContact CD2-CE 3.09Å; F87-M110 HydrophobicContact CE2-CE 3.7Å; F87-M110 HydrophobicContact CG-CE 3.87Å; Y106-M110 HydrophobicContact CD1-CG 4.11Å; Y106-M110 HydrophobicContact CD2-CG 3.76Å; Y106-M110 HydrophobicContact CD2-SD 4.39Å; Y106-M110 HydrophobicContact CE1-CG 3.89Å; Y106-M110 HydrophobicContact CE2-CG 3.54Å; Y106-M110 HydrophobicContact CE2-SD 3.92Å; Y106-M110 HydrophobicContact CG-CG 4.11Å; Y106-M110 WeakPolarHBondContact O-CB 3.4Å; Y106-M110 WeakPolarHBondContact O-CG 3.35Å; Y106-M110 PolarHBondContact O-N 2.98Å; S108-M110 VanDerWaalsContact C-N 3.34Å; S108-M110 PolarHBondContact O-N 2.99Å; M110-Y114 PolarHBondContact O-N 3.42Å; M110-Y114 VanDerWaalsContact O-N 3.12Å; M110-L133 HydrophobicContact CB-CD1 3.63Å; M110-L133 HydrophobicContact CG-CD1 4.46Å |
| 111 | L | 76.6 | Confident | 77.5 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 174.1 | -72.7 | 173.2 | 0 | 0 | 0 | 111.9 | R107 S108 Y114 S115 I130 L133 E134 | R107-L111 WeakPolarHBondContact O-CB 3.26Å; R107-L111 VanDerWaalsContact O-CG 3.29Å; R107-L111 WeakPolarHBondContact O-CG 3.41Å; R107-L111 PolarHBondContact O-N 3.42Å; R107-L111 VanDerWaalsContact O-N 3.1Å; S108-L111 PolarHBondContact O-N 2.91Å; L111-Y114 PolarHBondContact O-N 3.48Å; L111-S115 PolarHBondContact O-N 2.79Å; L111-I130 HydrophobicContact CD2-CG2 4.5Å; L111-L133 HydrophobicContact CD2-CB 3.87Å; L111-L133 HydrophobicContact CG-CB 4.18Å; L111-E134 HydrophobicContact CD2-CB 4.46Å; L111-E134 HydrophobicContact CD2-CG 3.49Å; L111-E134 VanDerWaalsContact CD2-CG 3.49Å |
| 112 | E | 80.7 | Confident | 77.3 | Confident | 122 Ų | 122 | 53.9 Ų | 53.9 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 175.9 | -172.7 | 171.5 | -178.9 | 0 | 0 | 111.3 | S108 V109 Y114 S115 N116 | S108-E112 WeakPolarHBondContact O-CB 3.37Å; S108-E112 PolarHBondContact O-N 2.88Å; V109-E112 PolarHBondContact O-N 3.34Å; E112-Y114 VanDerWaalsContact C-N 3.33Å; E112-Y114 PolarHBondContact O-N 2.79Å; E112-S115 WeakPolarHBondContact O-CB 3.27Å; E112-S115 PolarHBondContact O-N 3.35Å; E112-N116 PolarHBondContact O-N 2.78Å; E112-N116 PolarHBondContact O-ND2 3.43Å |
| 113 | N | 81.4 | Confident | 76.7 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 174.9 | -74.4 | -9.6 | 0 | 0 | 0 | 112.2 | V86 V109 N116 L117 | V86-N113 HydrophobicContact CG2-CB 4.18Å; V109-N113 VanDerWaalsContact O-CB 3.31Å; V109-N113 WeakPolarHBondContact O-CB 3.23Å; V109-N113 PolarHBondContact O-N 3.1Å; V109-N113 PolarHBondContact O-ND2 3.36Å; N113-N116 PolarHBondContact O-N 2.81Å; N113-L117 WeakPolarHBondContact O-CG 3.47Å; N113-L117 PolarHBondContact O-N 3.26Å |
| 114 | Y | 78.6 | Confident | 75.7 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 15% | 0.153 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.8 | 177.8 | -104.2 | 0 | 0 | 0 | 112.3 | F83 M110 L111 E112 N116 L117 V118 K126 I130 | F83-Y114 HydrophobicContact CD2-CD2 4.2Å; M110-Y114 PolarHBondContact O-N 3.42Å; M110-Y114 VanDerWaalsContact O-N 3.12Å; L111-Y114 PolarHBondContact O-N 3.48Å; E112-Y114 VanDerWaalsContact C-N 3.33Å; E112-Y114 PolarHBondContact O-N 2.79Å; Y114-N116 VanDerWaalsContact C-N 3.28Å; Y114-N116 PolarHBondContact O-N 2.79Å; Y114-L117 PolarHBondContact O-N 3.21Å; Y114-V118 HydrophobicContact CD1-CG2 4.14Å; Y114-V118 HydrophobicContact CD2-CG2 4.43Å; Y114-V118 HydrophobicContact CE1-CG2 3.7Å; Y114-V118 HydrophobicContact CE2-CG2 4Å; Y114-V118 HydrophobicContact CG-CG2 4.49Å; Y114-V118 WeakPolarHBondContact O-CG2 3.18Å; Y114-V118 PolarHBondContact O-N 3.08Å; Y114-K126 HydrophobicContact CE2-CG 4.45Å; Y114-K126 WeakPolarHBondContact OH-CB 3.46Å; Y114-K126 WeakPolarHBondContact OH-CG 3.48Å; Y114-I130 HydrophobicContact CD1-CG2 3.6Å; Y114-I130 HydrophobicContact CD2-CB 4.49Å; Y114-I130 HydrophobicContact CD2-CD1 4.44Å; Y114-I130 HydrophobicContact CD2-CG1 3.85Å; Y114-I130 HydrophobicContact CD2-CG2 4.15Å; Y114-I130 HydrophobicContact CE1-CG2 3.8Å; Y114-I130 HydrophobicContact CE2-CG1 4.47Å; Y114-I130 HydrophobicContact CE2-CG2 4.34Å; Y114-I130 HydrophobicContact CG-CB 4.47Å; Y114-I130 HydrophobicContact CG-CD1 4.11Å; Y114-I130 HydrophobicContact CG-CG1 3.92Å; Y114-I130 HydrophobicContact CG-CG2 3.78Å |
| 115 | S | 80 | Confident | 75 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 175.5 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | L111 E112 L117 V118 S119 | L111-S115 PolarHBondContact O-N 2.79Å; E112-S115 WeakPolarHBondContact O-CB 3.27Å; E112-S115 PolarHBondContact O-N 3.35Å; S115-L117 PolarHBondContact O-N 2.88Å; S115-V118 WeakPolarHBondContact O-CB 3.22Å; S115-V118 PolarHBondContact O-N 3.38Å; S115-S119 PolarHBondContact O-N 2.91Å; S115-S119 PolarHBondContact O-OG 2.99Å; S115-S119 VanDerWaalsContact O-OG 3.1Å |
| 116 | N | 81.4 | Confident | 74.5 | Confident | 76 Ų | 76 | 70 Ų | 70 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.6 | -68.9 | -24.4 | 0 | 0 | 0 | 111.7 | E112 N113 Y114 V118 S119 L120 | E112-N116 PolarHBondContact O-N 2.78Å; E112-N116 PolarHBondContact O-ND2 3.43Å; N113-N116 PolarHBondContact O-N 2.81Å; Y114-N116 VanDerWaalsContact C-N 3.28Å; Y114-N116 PolarHBondContact O-N 2.79Å; N116-V118 VanDerWaalsContact C-N 3.35Å; N116-V118 PolarHBondContact O-N 2.82Å; N116-S119 PolarHBondContact O-N 3.29Å; N116-L120 WeakPolarHBondContact O-CB 3.43Å; N116-L120 VanDerWaalsContact O-CG 3.24Å; N116-L120 WeakPolarHBondContact O-CG 3.47Å; N116-L120 PolarHBondContact O-N 2.87Å |
| 117 | L | 78.1 | Confident | 74 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.1 | -72.1 | 172.1 | 0 | 0 | 0 | 112.5 | L81 F83 V86 N113 Y114 S115 L120 G121 Y122 | L81-L117 HydrophobicContact CB-CD2 4.25Å; F83-L117 HydrophobicContact CB-CD1 4.02Å; F83-L117 HydrophobicContact CD2-CD1 3.91Å; F83-L117 HydrophobicContact CG-CD1 4.48Å; V86-L117 HydrophobicContact CG2-CD1 3.62Å; V86-L117 HydrophobicContact CG2-CG 4.47Å; N113-L117 WeakPolarHBondContact O-CG 3.47Å; N113-L117 PolarHBondContact O-N 3.26Å; Y114-L117 PolarHBondContact O-N 3.21Å; S115-L117 PolarHBondContact O-N 2.88Å; L117-L120 PolarHBondContact O-N 3.01Å; L117-G121 PolarHBondContact O-N 2.86Å; L117-Y122 HydrophobicContact CD2-CD2 4.29Å; L117-Y122 PolarHBondContact O-N 3.45Å |
| 118 | V | 75.1 | Confident | 73.7 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 173.9 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | Y114 S115 N116 L120 G121 Q123 | Y114-V118 HydrophobicContact CD1-CG2 4.14Å; Y114-V118 HydrophobicContact CD2-CG2 4.43Å; Y114-V118 HydrophobicContact CE1-CG2 3.7Å; Y114-V118 HydrophobicContact CE2-CG2 4Å; Y114-V118 HydrophobicContact CG-CG2 4.49Å; Y114-V118 WeakPolarHBondContact O-CG2 3.18Å; Y114-V118 PolarHBondContact O-N 3.08Å; S115-V118 WeakPolarHBondContact O-CB 3.22Å; S115-V118 PolarHBondContact O-N 3.38Å; N116-V118 VanDerWaalsContact C-N 3.35Å; N116-V118 PolarHBondContact O-N 2.82Å; V118-L120 VanDerWaalsContact C-N 3.29Å; V118-L120 PolarHBondContact O-N 3.45Å; V118-G121 PolarHBondContact O-N 2.54Å; V118-Q123 HydrophobicContact CG1-CG 4.49Å; V118-Q123 VanDerWaalsContact CG1-NE2 3.34Å; V118-Q123 PolarHBondContact O-NE2 2.68Å |
| 119 | S | 75.5 | Confident | 73.3 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 68% | 0.678 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.7 | -31.5 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | S115 N116 G121 | S115-S119 PolarHBondContact O-N 2.91Å; S115-S119 PolarHBondContact O-OG 2.99Å; S115-S119 VanDerWaalsContact O-OG 3.1Å; N116-S119 PolarHBondContact O-N 3.29Å; S119-G121 PolarHBondContact O-N 3.32Å |
| 120 | L | 76.3 | Confident | 73 | Confident | 114 Ų | 114 | 72.2 Ų | 72.2 | 60% | 0.597 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -0.9 | 174.4 | -68.1 | 172.2 | 0 | 0 | 0 | 113.3 | N116 L117 V118 Y122 | N116-L120 WeakPolarHBondContact O-CB 3.43Å; N116-L120 VanDerWaalsContact O-CG 3.24Å; N116-L120 WeakPolarHBondContact O-CG 3.47Å; N116-L120 PolarHBondContact O-N 2.87Å; L117-L120 PolarHBondContact O-N 3.01Å; V118-L120 VanDerWaalsContact C-N 3.29Å; V118-L120 PolarHBondContact O-N 3.45Å; L120-Y122 VanDerWaalsContact C-N 3.34Å; L120-Y122 HydrophobicContact CB-CD2 3.49Å; L120-Y122 VanDerWaalsContact CB-CD2 3.49Å; L120-Y122 HydrophobicContact CB-CE2 3.72Å; L120-Y122 HydrophobicContact CD1-CD2 4.36Å; L120-Y122 HydrophobicContact CD1-CE2 4.32Å |
| 121 | G | 68.3 | Low | 72.6 | Confident | 55 Ų | 55 | 77.4 Ų | 77.4 | 57% | 0.567 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L117 V118 S119 Q123 | L117-G121 PolarHBondContact O-N 2.86Å; V118-G121 PolarHBondContact O-N 2.54Å; S119-G121 PolarHBondContact O-N 3.32Å; G121-Q123 PolarHBondContact O-N 3.36Å |
| 122 | Y | 68.8 | Low | 72.3 | Confident | 100 Ų | 100 | 77.3 Ų | 77.3 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | trans | -85.2 | 55.2 | 178.8 | -63.2 | -67.9 | 0 | 0 | 0 | 112.2 | P80 L81 L117 L120 | P80-Y122 HydrophobicContact CB-CD1 4.12Å; P80-Y122 HydrophobicContact CB-CE1 3.94Å; L81-Y122 HydrophobicContact CB-CD2 4.32Å; L81-Y122 HydrophobicContact CB-CE2 4.26Å; L81-Y122 HydrophobicContact CD1-CE2 4.49Å; L81-Y122 WeakPolarHBondContact O-CB 3.48Å; L117-Y122 HydrophobicContact CD2-CD2 4.29Å; L117-Y122 PolarHBondContact O-N 3.45Å; L120-Y122 VanDerWaalsContact C-N 3.34Å; L120-Y122 HydrophobicContact CB-CD2 3.49Å; L120-Y122 VanDerWaalsContact CB-CD2 3.49Å; L120-Y122 HydrophobicContact CB-CE2 3.72Å; L120-Y122 HydrophobicContact CD1-CD2 4.36Å; L120-Y122 HydrophobicContact CD1-CE2 4.32Å | ||
| 123 | Q | 62.9 | Low | 71.9 | Confident | 117 Ų | 117 | 71.7 Ų | 71.7 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | trans | -109.5 | 95.8 | -179.2 | 1 | -176 | -8.4 | 0 | 0 | 109.6 | V118 G121 | V118-Q123 HydrophobicContact CG1-CG 4.49Å; V118-Q123 VanDerWaalsContact CG1-NE2 3.34Å; V118-Q123 PolarHBondContact O-NE2 2.68Å; G121-Q123 PolarHBondContact O-N 3.36Å | ||
| 124 | H | 56.9 | Low | 71.4 | Confident | 193 Ų | 193 | 73.9 Ų | 73.9 | 89% | 0.894 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -102.1 | -44.7 | 173.1 | -113.3 | 64.2 | 0 | 0 | 0 | 112 | ||
| 125 | T | 62.5 | Low | 70.8 | Confident | 122 Ų | 122 | 76.9 Ų | 76.9 | 75% | 0.748 | 41% | 0.408 | S | S | * | . | trans | -156.1 | 136.3 | 174.7 | -44.5 | 0 | 0 | 0 | 0 | 108.5 | P127 | T125-P127 VanDerWaalsContact O-CD 3.26Å; T125-P127 WeakPolarHBondContact O-CD 3.33Å | ||
| 126 | K | 68.3 | Low | 69.5 | Low | 79 Ų | 79 | 75.2 Ų | 75.2 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | trans | -69.3 | 115.6 | 171.5 | -173.9 | 172 | -163.2 | 162.7 | 0 | 108.6 | Y114 I130 E134 | Y114-K126 HydrophobicContact CE2-CG 4.45Å; Y114-K126 WeakPolarHBondContact OH-CB 3.46Å; Y114-K126 WeakPolarHBondContact OH-CG 3.48Å; K126-I130 HydrophobicContact CD-CG2 4.44Å; K126-I130 HydrophobicContact CG-CB 4.33Å; K126-I130 HydrophobicContact CG-CG2 4.05Å; K126-E134 VanDerWaalsContact CE-CD 3.48Å; K126-E134 WeakPolarHBondContact CE-OE1 3.44Å; K126-E134 VanDerWaalsContact CE-OE2 3.27Å; K126-E134 WeakPolarHBondContact CE-OE2 3.48Å; K126-E134 IonicContact NZ-OE1 2.68Å; K126-E134 PolarHBondContact NZ-OE1 3.28Å; K126-E134 IonicContact NZ-OE2 2.54Å; K126-E134 PolarHBondContact NZ-OE2 3.38Å | ||
| 127 | P | 70.1 | Confident | 68.1 | Low | 32 Ų | 32 | 76.4 Ų | 76.4 | 21% | 0.208 | 41% | 0.405 | C | S | . | . | trans | -72.9 | 144.7 | -177.3 | 23.9 | -23.2 | 0 | 0 | 0 | 110.2 | F83 T125 I129 I130 F131 | F83-P127 HydrophobicContact CB-CG 4.26Å; F83-P127 HydrophobicContact CD1-CB 4.34Å; F83-P127 HydrophobicContact CD1-CG 3.49Å; F83-P127 VanDerWaalsContact CD1-CG 3.49Å; F83-P127 HydrophobicContact CE1-CG 4Å; F83-P127 HydrophobicContact CG-CG 3.91Å; T125-P127 VanDerWaalsContact O-CD 3.26Å; T125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-I129 HydrophobicContact CB-CG2 4.24Å; P127-I129 HydrophobicContact CG-CG2 4.44Å; P127-I129 PolarHBondContact O-N 3.27Å; P127-I130 HydrophobicContact CG-CB 4.3Å; P127-I130 HydrophobicContact CG-CG1 3.8Å; P127-I130 WeakPolarHBondContact O-CB 3.34Å; P127-I130 PolarHBondContact O-N 3.5Å; P127-F131 PolarHBondContact O-N 2.94Å | ||
| 128 | D | 70.6 | Confident | 66.8 | Low | 121 Ų | 121 | 83.9 Ų | 83.9 | 65% | 0.647 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -54.3 | -30 | -175 | -66.2 | -32.3 | 0 | 0 | 0 | 113.2 | F131 K132 | D128-F131 WeakPolarHBondContact O-CB 3.38Å; D128-F131 PolarHBondContact O-N 3.19Å; D128-K132 WeakPolarHBondContact O-CG 3.36Å; D128-K132 PolarHBondContact O-N 2.93Å |
| 129 | I | 66.9 | Low | 65.3 | Low | 37 Ų | 37 | 82.2 Ų | 82.2 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 176.7 | -166.7 | 149.3 | 0 | 0 | 0 | 112.8 | F83 F87 P127 K132 L133 L139 | F83-I129 HydrophobicContact CD1-CG2 4.5Å; F83-I129 HydrophobicContact CE1-CG2 3.66Å; F83-I129 HydrophobicContact CZ-CG2 4.42Å; F87-I129 HydrophobicContact CE2-CD1 3.39Å; F87-I129 HydrophobicContact CE2-CG1 4.14Å; F87-I129 HydrophobicContact CE2-CG2 4.29Å; F87-I129 HydrophobicContact CZ-CD1 3.46Å; F87-I129 VanDerWaalsContact CZ-CD1 3.46Å; P127-I129 HydrophobicContact CB-CG2 4.24Å; P127-I129 HydrophobicContact CG-CG2 4.44Å; P127-I129 PolarHBondContact O-N 3.27Å; I129-K132 PolarHBondContact O-N 3.2Å; I129-L133 HydrophobicContact CG1-CD1 4.5Å; I129-L133 WeakPolarHBondContact O-CB 3.3Å; I129-L133 VanDerWaalsContact O-CG 3.23Å; I129-L133 WeakPolarHBondContact O-CG 3.15Å; I129-L133 PolarHBondContact O-N 3.33Å; I129-L139 HydrophobicContact CG1-CD2 4.07Å |
| 130 | I | 73.4 | Confident | 63.6 | Low | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 173.7 | -69.6 | -56.8 | 0 | 0 | 0 | 110.3 | F83 L111 Y114 K126 P127 K132 L133 E134 | F83-I130 HydrophobicContact CD2-CD1 4.43Å; F83-I130 HydrophobicContact CD2-CG1 4.4Å; F83-I130 HydrophobicContact CE1-CD1 4.05Å; F83-I130 HydrophobicContact CE1-CG1 3.95Å; F83-I130 HydrophobicContact CE2-CD1 3.48Å; F83-I130 VanDerWaalsContact CE2-CD1 3.48Å; F83-I130 HydrophobicContact CE2-CG1 3.87Å; F83-I130 HydrophobicContact CZ-CD1 3.24Å; F83-I130 HydrophobicContact CZ-CG1 3.61Å; L111-I130 HydrophobicContact CD2-CG2 4.5Å; Y114-I130 HydrophobicContact CD1-CG2 3.6Å; Y114-I130 HydrophobicContact CD2-CB 4.49Å; Y114-I130 HydrophobicContact CD2-CD1 4.44Å; Y114-I130 HydrophobicContact CD2-CG1 3.85Å; Y114-I130 HydrophobicContact CD2-CG2 4.15Å; Y114-I130 HydrophobicContact CE1-CG2 3.8Å; Y114-I130 HydrophobicContact CE2-CG1 4.47Å; Y114-I130 HydrophobicContact CE2-CG2 4.34Å; Y114-I130 HydrophobicContact CG-CB 4.47Å; Y114-I130 HydrophobicContact CG-CD1 4.11Å; Y114-I130 HydrophobicContact CG-CG1 3.92Å; Y114-I130 HydrophobicContact CG-CG2 3.78Å; K126-I130 HydrophobicContact CD-CG2 4.44Å; K126-I130 HydrophobicContact CG-CB 4.33Å; K126-I130 HydrophobicContact CG-CG2 4.05Å; P127-I130 HydrophobicContact CG-CB 4.3Å; P127-I130 HydrophobicContact CG-CG1 3.8Å; P127-I130 WeakPolarHBondContact O-CB 3.34Å; P127-I130 PolarHBondContact O-N 3.5Å; I130-K132 VanDerWaalsContact C-N 3.32Å; I130-K132 PolarHBondContact O-N 2.88Å; I130-L133 HydrophobicContact CD1-CD1 3.93Å; I130-L133 PolarHBondContact O-N 3.1Å; I130-E134 HydrophobicContact CG2-CG 4.44Å; I130-E134 WeakPolarHBondContact O-CG 3.35Å; I130-E134 PolarHBondContact O-N 3.12Å |
| 131 | F | 72 | Confident | 61.9 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 175.5 | -176.2 | -106.3 | 0 | 0 | 0 | 112.4 | P127 D128 Q135 | P127-F131 PolarHBondContact O-N 2.94Å; D128-F131 WeakPolarHBondContact O-CB 3.38Å; D128-F131 PolarHBondContact O-N 3.19Å; F131-Q135 VanDerWaalsContact CD1-NE2 3.27Å; F131-Q135 WeakPolarHBondContact O-CG 3.26Å; F131-Q135 PolarHBondContact O-N 2.89Å; F131-Q135 PolarHBondContact O-NE2 3.4Å |
| 132 | K | 70.3 | Confident | 60.3 | Low | 52 Ų | 52 | 80.9 Ų | 80.9 | 23% | 0.226 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.7 | -40 | 173.2 | -71 | 176.9 | 173.6 | -174.7 | 0 | 112.7 | D128 I129 I130 L139 C140 | D128-K132 WeakPolarHBondContact O-CG 3.36Å; D128-K132 PolarHBondContact O-N 2.93Å; I129-K132 PolarHBondContact O-N 3.2Å; I130-K132 VanDerWaalsContact C-N 3.32Å; I130-K132 PolarHBondContact O-N 2.88Å; K132-L139 HydrophobicContact CB-CD2 3.99Å; K132-C140 PolarHBondContact NZ-O 3.37Å |
| 133 | L | 73 | Confident | 58.5 | Low | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 178.2 | -80.1 | 171.9 | 0 | 0 | 0 | 112.7 | R107 M110 L111 I129 I130 G136 L139 | R107-L133 HydrophobicContact CB-CD2 3.9Å; R107-L133 HydrophobicContact CG-CD2 3.5Å; R107-L133 VanDerWaalsContact CG-CD2 3.5Å; M110-L133 HydrophobicContact CB-CD1 3.63Å; M110-L133 HydrophobicContact CG-CD1 4.46Å; L111-L133 HydrophobicContact CD2-CB 3.87Å; L111-L133 HydrophobicContact CG-CB 4.18Å; I129-L133 HydrophobicContact CG1-CD1 4.5Å; I129-L133 WeakPolarHBondContact O-CB 3.3Å; I129-L133 VanDerWaalsContact O-CG 3.23Å; I129-L133 WeakPolarHBondContact O-CG 3.15Å; I129-L133 PolarHBondContact O-N 3.33Å; I130-L133 HydrophobicContact CD1-CD1 3.93Å; I130-L133 PolarHBondContact O-N 3.1Å; L133-G136 PolarHBondContact O-N 3.06Å; L133-L139 HydrophobicContact CD2-CD1 3.56Å; L133-L139 HydrophobicContact CD2-CD2 4.06Å; L133-L139 HydrophobicContact CD2-CG 3.93Å; L133-L139 HydrophobicContact CG-CD1 4.29Å; L133-L139 HydrophobicContact CG-CD2 4.05Å; L133-L139 HydrophobicContact CG-CG 4.47Å |
| 134 | E | 70.3 | Confident | 57.1 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 44% | 0.439 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 179.7 | -76 | -179.8 | 175.1 | 0 | 0 | 113.5 | L111 K126 I130 G136 | L111-E134 HydrophobicContact CD2-CB 4.46Å; L111-E134 HydrophobicContact CD2-CG 3.49Å; L111-E134 VanDerWaalsContact CD2-CG 3.49Å; K126-E134 VanDerWaalsContact CE-CD 3.48Å; K126-E134 WeakPolarHBondContact CE-OE1 3.44Å; K126-E134 VanDerWaalsContact CE-OE2 3.27Å; K126-E134 WeakPolarHBondContact CE-OE2 3.48Å; K126-E134 IonicContact NZ-OE1 2.68Å; K126-E134 PolarHBondContact NZ-OE1 3.28Å; K126-E134 IonicContact NZ-OE2 2.54Å; K126-E134 PolarHBondContact NZ-OE2 3.38Å; I130-E134 HydrophobicContact CG2-CG 4.44Å; I130-E134 WeakPolarHBondContact O-CG 3.35Å; I130-E134 PolarHBondContact O-N 3.12Å; E134-G136 PolarHBondContact O-N 2.81Å |
| 135 | Q | 65.3 | Low | 56.2 | Low | 101 Ų | 101 | 83.5 Ų | 83.5 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -4.8 | 177.8 | -72.2 | -177.6 | 103.2 | 0 | 0 | 112.9 | F131 E137 | F131-Q135 VanDerWaalsContact CD1-NE2 3.27Å; F131-Q135 WeakPolarHBondContact O-CG 3.26Å; F131-Q135 PolarHBondContact O-N 2.89Å; F131-Q135 PolarHBondContact O-NE2 3.4Å; Q135-E137 HydrophobicContact CB-CG 4.15Å; Q135-E137 PolarHBondContact O-N 3.01Å; Q135-E137 VanDerWaalsContact O-N 3.16Å |
| 136 | G | 53.5 | Low | 54.6 | Low | 29 Ų | 29 | 84.2 Ų | 84.2 | 30% | 0.299 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 10.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L133 E134 | L133-G136 PolarHBondContact O-N 3.06Å; E134-G136 PolarHBondContact O-N 2.81Å |
| 137 | E | 52.8 | Low | 53.3 | Low | 102 Ų | 102 | 86 Ų | 86 | 48% | 0.477 | 47% | 0.465 | S | S | . | . | trans | -61.7 | 139.6 | 174.2 | -71 | -177.6 | 162.9 | 0 | 0 | 108.9 | R107 Q135 L139 | R107-E137 PolarHBondContact NH2-O 2.89Å; Q135-E137 HydrophobicContact CB-CG 4.15Å; Q135-E137 PolarHBondContact O-N 3.01Å; Q135-E137 VanDerWaalsContact O-N 3.16Å; E137-L139 PolarHBondContact O-N 3.26Å; E137-L139 VanDerWaalsContact O-N 3.09Å | ||
| 138 | E | 49.6 | Very low | 51.7 | Low | 165 Ų | 165 | 91 Ų | 91 | 77% | 0.771 | 49% | 0.49 | S | S | * | . | trans | -56.3 | 117.8 | 162.1 | -75.4 | -170.1 | 125.4 | 0 | 0 | 107.7 | C140 | E138-C140 PolarHBondContact O-N 3.04Š| ||
| 139 | L | 44.2 | Very low | 49.8 | Very low | 3 Ų | 3 | 94 Ų | 94 | 2% | 0.016 | 50% | 0.5 | C | S | . | . | trans | -55.3 | 87.8 | -179.4 | -81.1 | 171.8 | 0 | 0 | 0 | 109 | W95 Y106 I129 K132 L133 E137 M141 | W95-L139 HydrophobicContact CH2-CD1 3.72Å; W95-L139 HydrophobicContact CZ2-CB 4.15Å; W95-L139 HydrophobicContact CZ2-CD1 3.83Å; W95-L139 HydrophobicContact CZ2-CG 4.49Å; W95-L139 HydrophobicContact CZ3-CD1 4.33Å; Y106-L139 HydrophobicContact CD1-CD1 4.11Å; Y106-L139 HydrophobicContact CE1-CD1 3.66Å; I129-L139 HydrophobicContact CG1-CD2 4.07Å; K132-L139 HydrophobicContact CB-CD2 3.99Å; L133-L139 HydrophobicContact CD2-CD1 3.56Å; L133-L139 HydrophobicContact CD2-CD2 4.06Å; L133-L139 HydrophobicContact CD2-CG 3.93Å; L133-L139 HydrophobicContact CG-CD1 4.29Å; L133-L139 HydrophobicContact CG-CD2 4.05Å; L133-L139 HydrophobicContact CG-CG 4.47Å; E137-L139 PolarHBondContact O-N 3.26Å; E137-L139 VanDerWaalsContact O-N 3.09Å; L139-M141 HydrophobicContact CB-CG 4.21Å; L139-M141 PolarHBondContact O-N 2.88Å | ||
| 140 | C | 40.6 | Very low | 48.4 | Very low | 89 Ų | 89 | 98.1 Ų | 98.1 | 60% | 0.601 | 53% | 0.528 | S | S | * | . | trans | -64.7 | 83.9 | 151.3 | -95.2 | 0 | 0 | 0 | 0 | 104.7 | K132 E138 V142 | K132-C140 PolarHBondContact NZ-O 3.37Å; E138-C140 PolarHBondContact O-N 3.04Å; C140-V142 PolarHBondContact O-N 3.4Å | ||
| 141 | M | 38.8 | Very low | 46.2 | Very low | 41 Ų | 41 | 104.2 Ų | 104.2 | 20% | 0.202 | 57% | 0.569 | C | S | . | * | trans | -53.3 | 133.1 | 173.2 | -70.5 | -154.3 | -56.1 | 0 | 0 | 107.5 | F90 T91 W95 L139 Q143 | F90-M141 HydrophobicContact CB-CE 4.41Å; F90-M141 WeakPolarHBondContact O-CE 3.24Å; T91-M141 VanDerWaalsContact C-CE 3.46Å; T91-M141 WeakPolarHBondContact O-CE 3.49Å; W95-M141 HydrophobicContact CB-CE 3.94Å; W95-M141 HydrophobicContact CG-CE 4.41Å; L139-M141 HydrophobicContact CB-CG 4.21Å; L139-M141 PolarHBondContact O-N 2.88Å; M141-Q143 PolarHBondContact O-N 3.27Å | ||
| 142 | V | 35.6 | Very low | 44.4 | Very low | 107 Ų | 107 | 104.6 Ų | 104.6 | 65% | 0.648 | 58% | 0.582 | S | S | * | * | trans | -54.7 | 107.8 | -177.2 | 172.2 | 0 | 0 | 0 | 0 | 108.1 | C140 A144 | C140-V142 PolarHBondContact O-N 3.4Å; V142-A144 PolarHBondContact O-N 3.48Å | ||
| 143 | Q | 31.5 | Very low | 42.8 | Very low | 183 Ų | 183 | 109.4 Ų | 109.4 | 86% | 0.855 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 124.4 | 163.7 | -162.1 | 174.3 | 21.2 | 0 | 0 | 106.7 | M141 Q145 | M141-Q143 PolarHBondContact O-N 3.27Å; Q143-Q145 PolarHBondContact O-N 2.93Å |
| 144 | A | 33.5 | Very low | 41.2 | Very low | 87 Ų | 87 | 115.8 Ų | 115.8 | 72% | 0.719 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 137.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | V142 V146 | V142-A144 PolarHBondContact O-N 3.48Å; A144-V146 PolarHBondContact O-N 3.4Å |
| 145 | Q | 36.8 | Very low | 39.2 | Very low | 196 Ų | 196 | 120 Ų | 120 | 92% | 0.916 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 128.3 | -174.2 | -65.4 | 163.4 | 49 | 0 | 0 | 113.1 | Q143 | Q143-Q145 PolarHBondContact O-N 2.93Š|
| 146 | V | 29.9 | Very low | 38 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 83% | 0.83 | 68% | 0.675 | S | S | * | * | trans | -138 | 132.7 | 147.2 | -178.3 | 0 | 0 | 0 | 0 | 106.8 | A144 | A144-V146 PolarHBondContact O-N 3.4Š| ||
| 147 | P | 40.8 | Very low | 36.6 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | trans | -81.6 | 159.7 | -166.8 | 33.2 | -34.5 | 0 | 0 | 0 | 112.4 | ||||
| 148 | N | 36.1 | Very low | 35.9 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | 76.5 | 95.7 | 164.9 | -118.6 | -41.8 | 0 | 0 | 0 | 115.7 | ||||
| 149 | Q | 31.6 | Very low | 34.9 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | 179.6 | 138.8 | 95.2 | -91.3 | 169 | 88.7 | 0 | 0 | 111.3 | |||||
| 150 | T | 36.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | trans | -42.3 | 140.1 | -179 | -48.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 151 | C | 27.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 86% | 0.858 | 77% | 0.769 | S | S | * | * | trans | -155.1 | 149.6 | 140.3 | -93.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 152 | P | 34.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | -91.4 | 140.8 | -126.7 | 32.7 | -34.7 | 0 | 0 | 0 | 115 | |||||
| 153 | I | 35.8 | Very low | 33.4 | Very low | 153 Ų | 153 | 143 Ų | 143 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -65.5 | 145 | 161.1 | -61.8 | 168.6 | 0 | 0 | 0 | 108.6 | ||||
| 154 | L | 39.1 | Very low | 33.4 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | trans | 148.4 | 126.3 | 135.8 | -78.5 | 176.5 | 0 | 0 | 0 | 109 | ||||
| 155 | K | 29.6 | Very low | 33.2 | Very low | 183 Ų | 183 | 142.3 Ų | 142.3 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | cis | -151 | 152.5 | 23.7 | -67.8 | -159.9 | 176.1 | 178.1 | 0 | 114.3 | ||||
| 156 | A | 39.2 | Very low | 32.7 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -49.4 | 142.6 | 163 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 157 | G | 25.2 | Very low | 32.8 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -138.1 | 87 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S159 | G157-S159 PolarHBondContact O-N 3.28Š| ||
| 158 | K | 36.6 | Very low | 33 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -63 | 118.9 | 165.6 | -74 | 173.7 | 175.2 | 171.2 | 0 | 107.9 | ||||
| 159 | S | 29.1 | Very low | 32.9 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -125.3 | 112.8 | 159.6 | -64.6 | 0 | 0 | 0 | 0 | 109.1 | G157 | G157-S159 PolarHBondContact O-N 3.28Š| ||
| 160 | K | 28.6 | Very low | 33.1 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -56.3 | 144.3 | 176.6 | -73.8 | 179.2 | 170.4 | 178.6 | 0 | 110.6 | K162 | K160-K162 PolarHBondContact O-N 3.36Š| ||
| 161 | A | 31.8 | Very low | 33 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -49.6 | 133.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 162 | K | 29.5 | Very low | 33.6 | Very low | 204 Ų | 204 | 134.1 Ų | 134.1 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -121.9 | 103.3 | 158.9 | -168.5 | 168.2 | -175.5 | 174.5 | 0 | 107.1 | K160 | K160-K162 PolarHBondContact O-N 3.36Š| ||
| 163 | V | 38.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 122.9 | 164.7 | 176.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 164 | L | 31.1 | Very low | 33.7 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | 176.5 | 128.6 | 123.7 | -94.8 | 166.4 | 0 | 0 | 0 | 112.5 | |||||
| 165 | A | 30.1 | Very low | 33.4 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 67.6 | 125.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 166 | G | 26.2 | Very low | 34 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 162.5 | 71.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 167 | L | 32.1 | Very low | 33.9 | Very low | 181 Ų | 181 | 128.2 Ų | 128.2 | 95% | 0.948 | 79% | 0.794 | S | S | * | * | trans | 58 | 145.6 | 141.8 | -74.6 | 149.3 | 0 | 0 | 0 | 123.4 | ||||
| 168 | V | 44.9 | Very low | 34.5 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -78.7 | 144.9 | -173.4 | 165.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 169 | S | 32.5 | Very low | 34.3 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -167.7 | 113.6 | 141.7 | -159.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 170 | G | 37.4 | Very low | 35.1 | Very low | 59 Ų | 59 | 123.9 Ų | 123.9 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | 94.4 | 114.5 | 87.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 171 | E | 34.3 | Very low | 36.1 | Very low | 195 Ų | 195 | 118.4 Ų | 118.4 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | 87.9 | 103.6 | 167.8 | -39.5 | -148.8 | 145.9 | 0 | 0 | 118.2 | L173 | E171-L173 PolarHBondContact O-N 3.04Š| ||
| 172 | G | 38.7 | Very low | 36.6 | Very low | 85 Ų | 85 | 114.9 Ų | 114.9 | 88% | 0.876 | 70% | 0.702 | S | S | * | * | S | Bend | 82.3 | -20.1 | 123.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||
| 173 | L | 35.7 | Very low | 37.3 | Very low | 154 Ų | 154 | 107.7 Ų | 107.7 | 81% | 0.806 | 68% | 0.677 | S | S | * | * | trans | -134.2 | 116.9 | 177.6 | -109.6 | 78.1 | 0 | 0 | 0 | 110.6 | E171 C175 | E171-L173 PolarHBondContact O-N 3.04Å; L173-C175 PolarHBondContact O-N 3.13Å | ||
| 174 | L | 37.1 | Very low | 37.6 | Very low | 137 Ų | 137 | 104.2 Ų | 104.2 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | trans | -60.8 | 109.7 | 168.3 | -143.8 | 77.5 | 0 | 0 | 0 | 107.4 | A176 | L174-A176 PolarHBondContact O-N 3.33Š| ||
| 175 | C | 34.4 | Very low | 38.5 | Very low | 89 Ų | 89 | 100 Ų | 100 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | trans | -52.1 | 125 | -176.8 | -153.2 | 0 | 0 | 0 | 0 | 109.7 | L173 S177 K178 | L173-C175 PolarHBondContact O-N 3.13Å; C175-S177 PolarHBondContact O-N 3.01Å; C175-K178 PolarHBondContact O-N 3.24Å | ||
| 176 | A | 40.5 | Very low | 39.1 | Very low | 71 Ų | 71 | 100.7 Ų | 100.7 | 59% | 0.587 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -51.8 | -19.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L174 K178 M179 | L174-A176 PolarHBondContact O-N 3.33Å; A176-K178 PolarHBondContact O-N 3.16Å; A176-M179 PolarHBondContact O-N 3.31Å |
| 177 | S | 38.2 | Very low | 39.7 | Very low | 113 Ų | 113 | 104.8 Ų | 104.8 | 79% | 0.79 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -68.7 | -8.1 | 173.8 | -154.8 | 0 | 0 | 0 | 0 | 115.2 | C175 | C175-S177 PolarHBondContact O-N 3.01Š|
| 178 | K | 37.5 | Very low | 39.9 | Very low | 176 Ų | 176 | 104.3 Ų | 104.3 | 77% | 0.765 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -108.8 | -7.3 | 174.5 | -71 | -171.9 | 177.7 | 177.3 | 0 | 113.9 | C175 A176 | C175-K178 PolarHBondContact O-N 3.24Å; A176-K178 PolarHBondContact O-N 3.16Å |
| 179 | M | 32.4 | Very low | 39.7 | Very low | 47 Ų | 47 | 103.7 Ų | 103.7 | 23% | 0.232 | 59% | 0.592 | C | S | . | * | S | Bend | trans | -82.5 | 123.5 | 175.3 | -95.4 | 156.3 | 42.7 | 0 | 0 | 108.5 | A176 C183 W187 | A176-M179 PolarHBondContact O-N 3.31Å; M179-C183 HydrophobicContact CB-CB 3.65Å; M179-C183 HydrophobicContact CE-CB 4.14Å; M179-C183 HydrophobicContact CG-CB 3.41Å; M179-C183 VanDerWaalsContact CG-CB 3.41Å; M179-C183 HydrophobicContact SD-CB 4.29Å; M179-W187 HydrophobicContact CE-CB 3.92Å; M179-W187 HydrophobicContact CE-CD2 4.45Å; M179-W187 HydrophobicContact CE-CG 4.04Å |
| 180 | T | 45.7 | Very low | 40 | Very low | 85 Ų | 85 | 102.2 Ų | 102.2 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | trans | -53.8 | 152.2 | 168.6 | 52.4 | 0 | 0 | 0 | 0 | 108.5 | C182 C183 | T180-C182 PolarHBondContact O-N 3.05Å; T180-C183 PolarHBondContact O-N 2.95Å | ||
| 181 | P | 48.8 | Very low | 40.1 | Very low | 87 Ų | 87 | 104.8 Ų | 104.8 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -50.5 | -29.9 | -178.8 | -27.6 | 33.9 | 0 | 0 | 0 | 113.4 | C184 | P181-C184 PolarHBondContact O-N 3.4Å |
| 182 | C | 43.2 | Very low | 40.5 | Very low | 22 Ų | 22 | 102.4 Ų | 102.4 | 15% | 0.149 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -65.1 | -37 | 175 | -61.8 | 0 | 0 | 0 | 0 | 114 | C104 T180 C184 I185 L186 | C104-C182 HydrophobicContact CB-CB 4.27Å; T180-C182 PolarHBondContact O-N 3.05Å; C182-C184 VanDerWaalsContact C-N 3.34Å; C182-I185 PolarHBondContact O-N 2.79Å; C182-L186 PolarHBondContact O-N 3Å |
| 183 | C | 44 | Very low | 40.3 | Very low | 53 Ų | 53 | 108 Ų | 108 | 36% | 0.358 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.6 | -29 | 178.5 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | M179 T180 I185 W187 | M179-C183 HydrophobicContact CB-CB 3.65Å; M179-C183 HydrophobicContact CE-CB 4.14Å; M179-C183 HydrophobicContact CG-CB 3.41Å; M179-C183 VanDerWaalsContact CG-CB 3.41Å; M179-C183 HydrophobicContact SD-CB 4.29Å; T180-C183 PolarHBondContact O-N 2.95Å; C183-I185 VanDerWaalsContact C-N 3.34Å; C183-W187 WeakPolarHBondContact O-CB 3.45Å; C183-W187 PolarHBondContact O-N 3.27Å |
| 184 | C | 45.4 | Very low | 40.5 | Very low | 50 Ų | 50 | 105.7 Ų | 105.7 | 34% | 0.338 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.9 | -33.7 | 176.4 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | P181 C182 R188 | P181-C184 PolarHBondContact O-N 3.4Å; C182-C184 VanDerWaalsContact C-N 3.34Å; C184-R188 VanDerWaalsContact O-CB 3.32Å; C184-R188 WeakPolarHBondContact O-CB 3.44Å; C184-R188 PolarHBondContact O-N 3.29Å |
| 185 | I | 48.8 | Very low | 40.7 | Very low | 67 Ų | 67 | 104.1 Ų | 104.1 | 34% | 0.344 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73 | -43.2 | 177.9 | -63.2 | 176.5 | 0 | 0 | 0 | 110.9 | P100 C182 C183 R188 H189 | P100-I185 HydrophobicContact CB-CG2 4.05Å; C182-I185 PolarHBondContact O-N 2.79Å; C183-I185 VanDerWaalsContact C-N 3.34Å; I185-R188 PolarHBondContact O-N 3.36Å; I185-H189 PolarHBondContact O-N 3.23Å; I185-H189 VanDerWaalsContact O-N 3.09Å |
| 186 | L | 43.8 | Very low | 41 | Very low | 115 Ų | 115 | 104.9 Ų | 104.9 | 60% | 0.602 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65 | -39.1 | 174.3 | -86.4 | 158.6 | 0 | 0 | 0 | 112.3 | C182 H189 S190 | C182-L186 PolarHBondContact O-N 3Å; L186-H189 PolarHBondContact O-N 3.35Å; L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 2.68Å; L186-S190 VanDerWaalsContact O-N 3.09Å |
| 187 | W | 38.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 106.9 Ų | 106.9 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.3 | -38.5 | 177.9 | -165.5 | 70.7 | 0 | 0 | 0 | 112.4 | M179 C183 S190 L191 | M179-W187 HydrophobicContact CE-CB 3.92Å; M179-W187 HydrophobicContact CE-CD2 4.45Å; M179-W187 HydrophobicContact CE-CG 4.04Å; C183-W187 WeakPolarHBondContact O-CB 3.45Å; C183-W187 PolarHBondContact O-N 3.27Å; W187-S190 PolarHBondContact O-N 2.87Å; W187-L191 HydrophobicContact CD2-CD1 3.91Å; W187-L191 HydrophobicContact CE3-CD1 3.78Å; W187-L191 HydrophobicContact CH2-CD1 3.68Å; W187-L191 HydrophobicContact CZ2-CD1 3.79Å; W187-L191 HydrophobicContact CZ3-CD1 3.67Å; W187-L191 PolarHBondContact O-N 3.2Å |
| 188 | R | 35.6 | Very low | 41.3 | Very low | 171 Ų | 171 | 106.5 Ų | 106.5 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 173.9 | -177.7 | 176.7 | -63.8 | -135.3 | 1.3 | 112.1 | C184 I185 S190 L191 E192 | C184-R188 VanDerWaalsContact O-CB 3.32Å; C184-R188 WeakPolarHBondContact O-CB 3.44Å; C184-R188 PolarHBondContact O-N 3.29Å; I185-R188 PolarHBondContact O-N 3.36Å; R188-S190 PolarHBondContact O-N 3.43Å; R188-L191 PolarHBondContact O-N 3.31Å; R188-L191 VanDerWaalsContact O-N 3.1Å; R188-E192 WeakPolarHBondContact CG-OE2 3.43Å; R188-E192 PolarHBondContact O-N 3.35Å |
| 189 | H | 40.8 | Very low | 41.5 | Very low | 126 Ų | 126 | 101.9 Ų | 101.9 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -27.5 | 176.6 | -120.3 | 131 | 0 | 0 | 0 | 113.5 | I185 L186 L191 | I185-H189 PolarHBondContact O-N 3.23Å; I185-H189 VanDerWaalsContact O-N 3.09Å; L186-H189 PolarHBondContact O-N 3.35Å; H189-L191 VanDerWaalsContact C-N 3.32Å |
| 190 | S | 39.2 | Very low | 42.2 | Very low | 88 Ų | 88 | 105.8 Ų | 105.8 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -8.2 | 175.8 | -170.1 | 0 | 0 | 0 | 0 | 114 | L186 W187 R188 | L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 2.68Å; L186-S190 VanDerWaalsContact O-N 3.09Å; W187-S190 PolarHBondContact O-N 2.87Å; R188-S190 PolarHBondContact O-N 3.43Å |
| 191 | L | 40.3 | Very low | 41.9 | Very low | 112 Ų | 112 | 107.4 Ų | 107.4 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -15.4 | 174.6 | -90.8 | 159.8 | 0 | 0 | 0 | 112.5 | W187 R188 H189 | W187-L191 HydrophobicContact CD2-CD1 3.91Å; W187-L191 HydrophobicContact CE3-CD1 3.78Å; W187-L191 HydrophobicContact CH2-CD1 3.68Å; W187-L191 HydrophobicContact CZ2-CD1 3.79Å; W187-L191 HydrophobicContact CZ3-CD1 3.67Å; W187-L191 PolarHBondContact O-N 3.2Å; R188-L191 PolarHBondContact O-N 3.31Å; R188-L191 VanDerWaalsContact O-N 3.1Å; H189-L191 VanDerWaalsContact C-N 3.32Å |
| 192 | E | 41.2 | Very low | 41.3 | Very low | 146 Ų | 146 | 109.1 Ų | 109.1 | 68% | 0.682 | 55% | 0.548 | S | S | * | . | trans | -102.7 | 11.3 | -179.9 | -82.3 | 161.8 | 90.5 | 0 | 0 | 113.3 | R188 | R188-E192 WeakPolarHBondContact CG-OE2 3.43Å; R188-E192 PolarHBondContact O-N 3.35Å | ||
| 193 | N | 34.6 | Very low | 41.1 | Very low | 202 Ų | 202 | 117 Ų | 117 | 100% | 1.08 | 58% | 0.584 | S | S | * | * | trans | -139.9 | 0 | 176.1 | -147.7 | 29 | 0 | 0 | 0 | 110.1 |
Retrieved 193 of 193 residues in 116.3 ms
(Link to these results)