| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.3 | Low | 48.6 | Very low | 220 Ų | 220 | 173.7 Ų | 173.7 | 100% | 1.084 | 76% | 0.757 | S | S | * | * | 0 | -17.4 | 0 | -143.4 | 177.6 | -153.5 | 0 | 0 | 115.3 | |||||
| 2 | K | 51.8 | Low | 48.3 | Very low | 194 Ų | 194 | 176.6 Ų | 176.6 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -17.2 | 178.8 | -78.7 | 178.6 | 174.5 | 176.1 | 0 | 115.7 | ||
| 3 | E | 51.1 | Low | 47.7 | Very low | 146 Ų | 146 | 176.2 Ų | 176.2 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -30.8 | -179.8 | -80.8 | -64 | 133.5 | 0 | 0 | 114.2 | K5 K6 | E3-K5 PolarHBondContact O-N 3.5Å; E3-K6 PolarHBondContact O-N 3.16Å |
| 4 | R | 47.5 | Very low | 47.5 | Very low | 223 Ų | 223 | 179.1 Ų | 179.1 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -68.5 | -33.8 | 176.3 | -94.8 | -179.4 | 165.1 | 178 | -5.1 | 113.3 | K6 | R4-K6 VanDerWaalsContact C-N 3.3Å; R4-K6 PolarHBondContact O-N 3.34Å |
| 5 | K | 50.8 | Low | 47 | Very low | 158 Ų | 158 | 179.3 Ų | 179.3 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -72.6 | -17.5 | 177.5 | -72.9 | -172.2 | 174.9 | -176.8 | 0 | 114 | E3 | E3-K5 PolarHBondContact O-N 3.5Å |
| 6 | K | 46.6 | Very low | 46.5 | Very low | 146 Ų | 146 | 180.1 Ų | 180.1 | 64% | 0.635 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -85.1 | -26.3 | -179.8 | -151.6 | 175.1 | -176.9 | -178.8 | 0 | 112.2 | E3 R4 | E3-K6 PolarHBondContact O-N 3.16Å; R4-K6 VanDerWaalsContact C-N 3.3Å; R4-K6 PolarHBondContact O-N 3.34Å |
| 7 | K | 45.8 | Very low | 46.1 | Very low | 170 Ų | 170 | 179.9 Ų | 179.9 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -75.4 | -42.1 | 177.2 | -148.4 | 174 | -178.2 | -177.5 | 0 | 111.9 | R9 K10 E11 | K7-R9 PolarHBondContact O-N 3.02Å; K7-K10 PolarHBondContact O-N 3.31Å; K7-E11 PolarHBondContact O-N 3.2Å |
| 8 | E | 50.3 | Low | 46 | Very low | 129 Ų | 129 | 181.8 Ų | 181.8 | 60% | 0.603 | 77% | 0.774 | S | S | * | * | H | α-helix | trans | -66.7 | -30.6 | 176.5 | -72.6 | 179.2 | 145.5 | 0 | 0 | 113.8 | K10 R12 | E8-K10 VanDerWaalsContact C-N 3.35Å; E8-R12 PolarHBondContact O-N 3.44Å |
| 9 | R | 46.2 | Very low | 45.7 | Very low | 211 Ų | 211 | 181 Ų | 181 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | H | α-helix | trans | -73.7 | -25.4 | 176.1 | -129.6 | 177.8 | -177.3 | -172.8 | 0.7 | 112.8 | K7 | K7-R9 PolarHBondContact O-N 3.02Å |
| 10 | K | 44.9 | Very low | 45.2 | Very low | 170 Ų | 170 | 175.7 Ų | 175.7 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | H | α-helix | trans | -78.4 | -31.8 | 176.5 | -119 | -179.9 | 178.7 | -176.9 | 0 | 112.1 | K7 E8 | K7-K10 PolarHBondContact O-N 3.31Å; E8-K10 VanDerWaalsContact C-N 3.35Å |
| 11 | E | 44.4 | Very low | 44.8 | Very low | 144 Ų | 144 | 175.3 Ų | 175.3 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | H | α-helix | trans | -80.2 | -33.2 | -179.9 | -154 | 161.7 | -158.1 | 0 | 0 | 112.6 | K7 K13 R14 K15 | K7-E11 PolarHBondContact O-N 3.2Å; E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 PolarHBondContact O-N 2.84Å; E11-R14 PolarHBondContact O-N 2.91Å; E11-K15 PolarHBondContact O-N 3.28Å |
| 12 | R | 44.9 | Very low | 44.1 | Very low | 208 Ų | 208 | 169.8 Ų | 169.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -67 | -21.8 | 171 | -74.4 | -175.3 | 178.1 | -161.2 | -0 | 114.3 | E8 | E8-R12 PolarHBondContact O-N 3.44Å |
| 13 | K | 40.3 | Very low | 43.4 | Very low | 172 Ų | 172 | 167.3 Ų | 167.3 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -79.5 | -28.7 | 173 | -110 | -174.6 | 176.8 | -171.1 | 0 | 113 | E11 | E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 PolarHBondContact O-N 2.84Å |
| 14 | R | 44.5 | Very low | 43.1 | Very low | 216 Ų | 216 | 163.6 Ų | 163.6 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | H | α-helix | trans | -80.4 | -21 | 177 | -87 | -175.7 | 169.4 | -175 | -3.9 | 114.4 | E11 | E11-R14 PolarHBondContact O-N 2.91Å |
| 15 | K | 40 | Very low | 42.7 | Very low | 182 Ų | 182 | 160.9 Ų | 160.9 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -90.4 | -6.3 | 178.3 | -152.1 | 171.7 | -178.3 | 178.3 | 0 | 113.9 | E11 | E11-K15 PolarHBondContact O-N 3.28Š|
| 16 | K | 40.3 | Very low | 41.9 | Very low | 192 Ų | 192 | 156.9 Ų | 156.9 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -93.8 | 1.9 | 177.9 | -158.4 | 175.8 | 176.4 | -177.9 | 0 | 114.1 | ||
| 17 | E | 39.8 | Very low | 41.6 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -104 | 5 | 172.6 | -85.6 | 176.8 | 157 | 0 | 0 | 113.2 | ||
| 18 | R | 44.1 | Very low | 41.3 | Very low | 214 Ų | 214 | 153.9 Ų | 153.9 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -119.2 | 62.5 | -178.6 | -163.1 | -176 | -84 | -163.1 | -5.8 | 109.4 | ||
| 19 | N | 39.8 | Very low | 41.1 | Very low | 167 Ų | 167 | 159.2 Ų | 159.2 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 178.7 | 92.8 | 152.6 | -92.3 | -1.6 | 0 | 0 | 0 | 109.3 | ||||
| 20 | G | 35.6 | Very low | 41 | Very low | 75 Ų | 75 | 151.8 Ų | 151.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -167.5 | 89.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 21 | L | 37.5 | Very low | 41.3 | Very low | 168 Ų | 168 | 150.6 Ų | 150.6 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -50.8 | 154.5 | 153.7 | -97.3 | 73.9 | 0 | 0 | 0 | 108.6 | ||||
| 22 | C | 40.5 | Very low | 42.2 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | cis | -168.5 | -173.6 | 15 | -117.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 23 | V | 35.7 | Very low | 43.7 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 107.2 | 115.1 | 162 | -170.6 | 0 | 0 | 0 | 0 | 113.2 | Q25 | V23-Q25 PolarHBondContact O-N 3.16Š| ||
| 24 | G | 45 | Very low | 46 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -67.1 | 127.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 25 | Q | 39.7 | Very low | 48.2 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | trans | -118.8 | 88.2 | 147.2 | -147.6 | 92.3 | 24.6 | 0 | 0 | 105 | V23 D27 | V23-Q25 PolarHBondContact O-N 3.16Å; Q25-D27 HydrophobicContact CG-CB 4.09Å; Q25-D27 PolarHBondContact O-N 2.91Å | ||
| 26 | G | 34.8 | Very low | 50.8 | Low | 74 Ų | 74 | 121.1 Ų | 121.1 | 76% | 0.763 | 70% | 0.696 | S | S | * | * | trans | -68 | 73.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | T28 | G26-T28 PolarHBondContact O-N 3.29Š| ||
| 27 | D | 39 | Very low | 53.4 | Low | 131 Ų | 131 | 112.1 Ų | 112.1 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | trans | -76 | 71.8 | 173.2 | -142 | 15.4 | 0 | 0 | 0 | 105.6 | Q25 R29 | Q25-D27 HydrophobicContact CG-CB 4.09Å; Q25-D27 PolarHBondContact O-N 2.91Å; D27-R29 PolarHBondContact O-N 3.47Å | ||
| 28 | T | 39.6 | Very low | 56.1 | Low | 123 Ų | 123 | 106.5 Ų | 106.5 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | trans | -62.6 | 95.9 | 161.9 | -37.3 | 0 | 0 | 0 | 0 | 103.6 | G26 G30 | G26-T28 PolarHBondContact O-N 3.29Å; T28-G30 PolarHBondContact O-N 3.47Å | ||
| 29 | R | 45.8 | Very low | 58.5 | Low | 241 Ų | 241 | 97.6 Ų | 97.6 | 91% | 0.909 | 61% | 0.606 | S | S | * | * | trans | -56.4 | 77.4 | 150.7 | -110.5 | 179.7 | 171.9 | 171.3 | -2.2 | 105.7 | D27 D31 | D27-R29 PolarHBondContact O-N 3.47Å; R29-D31 PolarHBondContact O-N 2.92Å | ||
| 30 | G | 44.5 | Very low | 61.2 | Low | 55 Ų | 55 | 92.4 Ų | 92.4 | 57% | 0.567 | 58% | 0.583 | S | S | * | * | trans | -64.2 | 114 | 169 | 0 | 0 | 0 | 0 | 0 | 104.4 | T28 G32 | T28-G30 PolarHBondContact O-N 3.47Å; G30-G32 PolarHBondContact O-N 3.23Å | ||
| 31 | D | 51.8 | Low | 64.1 | Low | 144 Ų | 144 | 89.5 Ų | 89.5 | 77% | 0.77 | 55% | 0.551 | S | S | * | * | trans | -32 | 127.3 | 155.2 | -175.4 | 22.8 | 0 | 0 | 0 | 108.7 | R29 S33 | R29-D31 PolarHBondContact O-N 2.92Å; D31-S33 PolarHBondContact O-N 2.96Å | ||
| 32 | G | 62.6 | Low | 66.9 | Low | 80 Ų | 80 | 90.3 Ų | 90.3 | 83% | 0.825 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -66.2 | 23 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115 | G30 | G30-G32 PolarHBondContact O-N 3.23Š|
| 33 | S | 77.4 | Confident | 69.5 | Low | 64 Ų | 64 | 88.9 Ų | 88.9 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 131.4 | -177.3 | -172 | 0 | 0 | 0 | 0 | 110.8 | D31 | D31-S33 PolarHBondContact O-N 2.96Š|
| 34 | L | 88 | Confident | 72.3 | Confident | 10 Ų | 10 | 83.2 Ų | 83.2 | 5% | 0.052 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 139.4 | 178.1 | -64.5 | 177.2 | 0 | 0 | 0 | 110.5 | Y107 R109 I115 | L34-Y107 HydrophobicContact CB-CE2 4.27Å; L34-Y107 HydrophobicContact CD1-CE2 4.12Å; L34-R109 HydrophobicContact CD1-CG 4.47Å; L34-R109 HydrophobicContact CD2-CG 4.17Å; L34-I115 HydrophobicContact CD1-CG2 3.9Å; L34-I115 HydrophobicContact CG-CG2 4.2Å |
| 35 | P | 90.8 | Very high | 74.8 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 142.2 | -179.2 | 21.4 | -30.1 | 0 | 0 | 0 | 111.6 | P60 Y107 | P35-P60 HydrophobicContact CB-CG 4.47Å; P35-P60 HydrophobicContact CG-CG 4.1Å; P35-Y107 WeakPolarHBondContact CD-OH 3.39Å; P35-Y107 VanDerWaalsContact CG-OH 3.22Å; P35-Y107 WeakPolarHBondContact CG-OH 3.45Å; P35-Y107 WeakPolarHBondContact O-CE1 3.08Å; P35-Y107 VanDerWaalsContact O-CZ 3.3Å; P35-Y107 PolarHBondContact O-OH 3.4Å |
| 36 | K | 94.5 | Very high | 77.5 | Confident | 90 Ų | 90 | 73.6 Ų | 73.6 | 39% | 0.391 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 129.4 | 177.5 | -173.3 | -176.9 | 178.4 | -167.9 | 0 | 110.5 | H119 D121 | K36-H119 WeakPolarHBondContact CE-O 3.48Å; K36-H119 WeakPolarHBondContact CG-O 3.31Å; K36-D121 IonicContact NZ-OD1 2.61Å; K36-D121 PolarHBondContact NZ-OD1 3Å; K36-D121 IonicContact NZ-OD2 2.97Å; K36-D121 PolarHBondContact NZ-OD2 3.39Å |
| 37 | P | 94.8 | Very high | 80.4 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.019 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 162.2 | 176.5 | 31.2 | -32.5 | 0 | 0 | 0 | 112 | W58 C105 Y107 Q118 S120 | P37-W58 WeakPolarHBondContact CA-O 3.34Å; P37-C105 WeakPolarHBondContact CG-O 3.33Å; P37-Y107 HydrophobicContact CB-CD1 3.81Å; P37-Y107 HydrophobicContact CB-CE1 3.93Å; P37-Y107 HydrophobicContact CG-CD1 3.9Å; P37-Y107 HydrophobicContact CG-CE1 4.1Å; P37-Q118 WeakPolarHBondContact CD-O 3.35Å; P37-S120 WeakPolarHBondContact O-CA 3.44Å; P37-S120 VanDerWaalsContact O-CB 3.28Å; P37-S120 WeakPolarHBondContact O-CB 3.32Å |
| 38 | S | 95.8 | Very high | 83.1 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 41% | 0.413 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 144.5 | 172.7 | 61 | 0 | 0 | 0 | 0 | 110.6 | C57 W58 | S38-C57 CarbonylContact O-C 3.55Å; S38-C57 VanDerWaalsContact O-CA 3.27Å; S38-C57 WeakPolarHBondContact O-CA 3.46Å; S38-W58 PolarHBondContact N-O 3.07Å; S38-W58 PolarHBondContact O-N 3.32Å; S38-W58 PolarHBondContact OG-O 3.41Å |
| 39 | L | 96.1 | Very high | 85.8 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.141 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.9 | 179.1 | -178.2 | 62.6 | 0 | 0 | 0 | 109.5 | L55 C57 L68 C105 L123 | L39-L55 HydrophobicContact CD1-CB 4.26Å; L39-C57 HydrophobicContact CD1-CB 4.16Å; L39-L68 HydrophobicContact CD1-CD1 4.1Å; L39-L68 HydrophobicContact CD2-CD1 4.2Å; L39-C105 HydrophobicContact CB-CB 4.38Å; L39-C105 HydrophobicContact CD1-CB 4.14Å; L39-C105 HydrophobicContact CD2-CB 4.33Å; L39-L123 HydrophobicContact CD2-CB 3.84Å; L39-L123 HydrophobicContact CG-CB 4.12Å; L39-L123 HydrophobicContact CG-CD1 4.18Å |
| 40 | S | 96 | Very high | 88.2 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.9 | -179.1 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | L55 R56 | S40-L55 CarbonylContact O-C 3.56Å; S40-L55 WeakPolarHBondContact O-CA 3.28Å; S40-R56 PolarHBondContact N-O 3.33Å; S40-R56 PolarHBondContact O-N 3.48Å; S40-R56 PolarHBondContact OG-O 3.05Å |
| 41 | A | 96.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 11% | 0.107 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V53 T54 L55 L123 | A41-V53 HydrophobicContact CB-CG2 4.11Å; A41-T54 WeakPolarHBondContact CA-O 3.29Å; A41-L55 HydrophobicContact CB-CD2 3.65Å; A41-L123 HydrophobicContact CB-CD1 3.78Å; A41-L123 HydrophobicContact CB-CD2 4.13Å |
| 42 | W | 95.2 | Very high | 92.7 | Very high | 185 Ų | 185 | 53.4 Ų | 53.4 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.8 | 176.2 | -175.4 | 89.3 | 0 | 0 | 0 | 110.4 | V53 T54 | W42-V53 VanDerWaalsContact O-CG2 3.31Å; W42-V53 WeakPolarHBondContact O-CG2 3.34Å; W42-T54 PolarHBondContact N-O 3.22Å; W42-T54 PolarHBondContact O-N 3.05Å |
| 43 | P | 94.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | S | Bend | cis | -78 | -17.6 | 2.8 | 31.7 | -36.2 | 0 | 0 | 0 | 114.2 | P174 | P43-P174 WeakPolarHBondContact O-CB 3.27Š|
| 44 | S | 95.7 | Very high | 95.1 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | trans | -155.4 | 156.7 | -176.9 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | V46 V47 V53 P174 | S44-V46 VanDerWaalsContact C-N 3.27Å; S44-V46 WeakPolarHBondContact CB-O 3.28Å; S44-V46 PolarHBondContact OG-N 2.87Å; S44-V46 PolarHBondContact OG-O 3.43Å; S44-V47 WeakPolarHBondContact O-CG1 3.31Å; S44-V53 WeakPolarHBondContact O-CG2 3.41Å; S44-P174 CarbonylContact C-O 3.56Å; S44-P174 WeakPolarHBondContact CA-O 3.47Å; S44-P174 PolarHBondContact OG-O 2.96Å | ||
| 45 | S | 96.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -80.5 | -6.4 | 168.3 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | L125 L126 P174 | S45-L125 WeakPolarHBondContact O-CA 3.36Å; S45-L126 PolarHBondContact O-N 3.3Å; S45-P174 PolarHBondContact N-O 2.85Å |
| 46 | V | 96.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114.1 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | S44 L126 T128 L169 P176 M205 | S44-V46 VanDerWaalsContact C-N 3.27Å; S44-V46 WeakPolarHBondContact CB-O 3.28Å; S44-V46 PolarHBondContact OG-N 2.87Å; S44-V46 PolarHBondContact OG-O 3.43Å; V46-L126 HydrophobicContact CG2-CB 4.41Å; V46-L126 HydrophobicContact CG2-CD1 4.27Å; V46-T128 HydrophobicContact CG1-CG2 3.62Å; V46-L169 HydrophobicContact CG1-CD1 4.48Å; V46-L169 HydrophobicContact CG2-CD2 4.37Å; V46-P176 HydrophobicContact CG2-CG 4.11Å; V46-M205 HydrophobicContact CB-SD 4.3Å; V46-M205 HydrophobicContact CG1-CE 3.9Å; V46-M205 HydrophobicContact CG1-SD 3.34Å; V46-M205 WeakPolarHBondContact CG1-SD 3.36Å; V46-M205 HydrophobicContact CG2-SD 3.98Å |
| 47 | V | 96.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148 | -171.7 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | S44 V53 L95 L125 L126 V127 T128 | S44-V47 WeakPolarHBondContact O-CG1 3.31Å; V47-V53 HydrophobicContact CG1-CB 4.41Å; V47-V53 HydrophobicContact CG1-CG2 4.41Å; V47-L95 HydrophobicContact CB-CD1 4.3Å; V47-L95 HydrophobicContact CG2-CD1 3.37Å; V47-L125 HydrophobicContact CG2-CD1 4.01Å; V47-L126 PolarHBondContact N-O 2.82Å; V47-V127 CarbonylContact O-C 3.57Å; V47-V127 VanDerWaalsContact O-CA 3.25Å; V47-V127 WeakPolarHBondContact O-CA 3.16Å; V47-T128 PolarHBondContact O-N 2.75Å; V47-T128 PolarHBondContact O-OG1 2.91Å |
| 48 | P | 96.2 | Very high | 95.4 | Very high | 73 Ų | 73 | 50 Ų | 50 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 158.1 | 178.1 | 29.3 | -32.6 | 0 | 0 | 0 | 112.6 | S51 T128 | P48-S51 WeakPolarHBondContact O-CB 3.36Å; P48-S51 PolarHBondContact O-N 3.47Å; P48-S51 PolarHBondContact O-OG 2.92Å; P48-T128 VanDerWaalsContact CA-OG1 3.31Å; P48-T128 WeakPolarHBondContact CA-OG1 3.48Å |
| 49 | A | 95.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 151.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S51 V127 T128 | A49-S51 PolarHBondContact O-N 3.37Å; A49-V127 HydrophobicContact CB-CG1 4.1Å; A49-T128 PolarHBondContact N-O 2.9Å |
| 50 | N | 95.4 | Very high | 94.8 | Very high | 108 Ų | 108 | 49.4 Ų | 49.4 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 12.7 | -175.8 | -44.8 | -55.5 | 0 | 0 | 0 | 114.9 | L95 K96 | N50-L95 PolarHBondContact N-O 3.24Å; N50-K96 PolarHBondContact OD1-NZ 2.93Å |
| 51 | S | 95.4 | Very high | 94.3 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | trans | -97.2 | -176.2 | 171 | 74.5 | 0 | 0 | 0 | 0 | 112 | P48 A49 N94 L95 | P48-S51 WeakPolarHBondContact O-CB 3.36Å; P48-S51 PolarHBondContact O-N 3.47Å; P48-S51 PolarHBondContact O-OG 2.92Å; A49-S51 PolarHBondContact O-N 3.37Å; S51-N94 PolarHBondContact O-N 3.23Å; S51-L95 WeakPolarHBondContact O-CB 3.43Å; S51-L95 WeakPolarHBondContact O-CG 3.47Å; S51-L95 PolarHBondContact O-N 3.4Å | ||
| 52 | N | 95.8 | Very high | 93.8 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | trans | -124.4 | 145.1 | -179.6 | -54.8 | -23.1 | 0 | 0 | 0 | 110 | L92 N93 N94 | N52-L92 VanDerWaalsContact CA-O 3.29Å; N52-L92 WeakPolarHBondContact CA-O 3.27Å; N52-N93 VanDerWaalsContact CG-OD1 3.29Å; N52-N93 WeakPolarHBondContact OD1-CA 3.46Å; N52-N94 PolarHBondContact OD1-N 2.78Å | ||
| 53 | V | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 143.4 | 172.5 | 70.9 | 0 | 0 | 0 | 0 | 109.2 | A41 W42 S44 V47 L55 L92 L95 L125 | A41-V53 HydrophobicContact CB-CG2 4.11Å; W42-V53 VanDerWaalsContact O-CG2 3.31Å; W42-V53 WeakPolarHBondContact O-CG2 3.34Å; S44-V53 WeakPolarHBondContact O-CG2 3.41Å; V47-V53 HydrophobicContact CG1-CB 4.41Å; V47-V53 HydrophobicContact CG1-CG2 4.41Å; V53-L55 HydrophobicContact CG2-CD2 4.47Å; V53-L92 HydrophobicContact CG1-CB 3.92Å; V53-L92 HydrophobicContact CG1-CD1 4.05Å; V53-L92 HydrophobicContact CG1-CG 4.43Å; V53-L92 PolarHBondContact N-O 3.46Å; V53-L92 PolarHBondContact O-N 3.26Å; V53-L95 HydrophobicContact CB-CD1 4.21Å; V53-L95 HydrophobicContact CG1-CD1 3.87Å; V53-L95 HydrophobicContact CG1-CD2 4.35Å; V53-L125 HydrophobicContact CG1-CD1 3.99Å; V53-L125 HydrophobicContact CG1-CD2 4.01Å; V53-L125 HydrophobicContact CG2-CD1 4.28Å |
| 54 | T | 94.7 | Very high | 92.9 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.4 | 172.1 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | A41 W42 E89 F90 H91 | A41-T54 WeakPolarHBondContact CA-O 3.29Å; W42-T54 PolarHBondContact N-O 3.22Å; W42-T54 PolarHBondContact O-N 3.05Å; T54-E89 HydrophobicContact CG2-CB 3.86Å; T54-E89 HydrophobicContact CG2-CG 4.26Å; T54-F90 WeakPolarHBondContact CA-O 2.94Å; T54-H91 WeakPolarHBondContact CG2-ND1 3.43Å; T54-H91 PolarHBondContact OG1-ND1 3.39Å |
| 55 | L | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.6 | 170.4 | -58.5 | -176.5 | 0 | 0 | 0 | 108.3 | L39 S40 A41 V53 L68 F90 L92 Y103 L123 | L39-L55 HydrophobicContact CD1-CB 4.26Å; S40-L55 CarbonylContact O-C 3.56Å; S40-L55 WeakPolarHBondContact O-CA 3.28Å; A41-L55 HydrophobicContact CB-CD2 3.65Å; V53-L55 HydrophobicContact CG2-CD2 4.47Å; L55-L68 HydrophobicContact CD1-CD1 4.31Å; L55-L68 HydrophobicContact CD1-CD2 3.96Å; L55-F90 HydrophobicContact CB-CB 4.33Å; L55-F90 PolarHBondContact N-O 3.4Å; L55-F90 WeakPolarHBondContact O-CD2 3.47Å; L55-F90 PolarHBondContact O-N 2.96Å; L55-L92 HydrophobicContact CD1-CD1 3.78Å; L55-L92 HydrophobicContact CG-CD1 4.15Å; L55-Y103 HydrophobicContact CD1-CD1 3.51Å; L55-Y103 HydrophobicContact CD1-CD2 4.48Å; L55-Y103 HydrophobicContact CD1-CE1 3.87Å; L55-Y103 HydrophobicContact CD1-CG 3.84Å; L55-L123 HydrophobicContact CD2-CD2 3.99Å |
| 56 | R | 93.6 | Very high | 92.2 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.2 | -179 | -180 | 175.5 | 175.4 | 138.2 | -7.9 | 109.9 | S40 A88 E89 | S40-R56 PolarHBondContact N-O 3.33Å; S40-R56 PolarHBondContact O-N 3.48Å; S40-R56 PolarHBondContact OG-O 3.05Å; R56-A88 WeakPolarHBondContact CA-O 3.31Å; R56-E89 HydrophobicContact CB-CG 4.3Å; R56-E89 HydrophobicContact CG-CG 4.09Å; R56-E89 IonicContact CZ-OE1 2.69Å; R56-E89 IonicContact NE-OE1 3.97Å; R56-E89 IonicContact NH1-OE1 3.29Å; R56-E89 PolarHBondContact NH1-OE1 3.5Å |
| 57 | C | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.1 | 174.3 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | S38 L39 F66 A87 A88 F90 C105 | S38-C57 CarbonylContact O-C 3.55Å; S38-C57 VanDerWaalsContact O-CA 3.27Å; S38-C57 WeakPolarHBondContact O-CA 3.46Å; L39-C57 HydrophobicContact CD1-CB 4.16Å; C57-F66 HydrophobicContact CB-CD1 3.98Å; C57-F66 HydrophobicContact CB-CE1 4.23Å; C57-F66 WeakPolarHBondContact SG-CD1 3.18Å; C57-F66 VanDerWaalsContact SG-CE1 3.57Å; C57-A87 CarbonylContact O-C 3.52Å; C57-A87 VanDerWaalsContact O-CA 3.28Å; C57-A87 WeakPolarHBondContact O-CA 3.4Å; C57-A88 PolarHBondContact N-O 2.73Å; C57-A88 PolarHBondContact O-N 3.22Å; C57-F90 HydrophobicContact CB-CE2 4.17Å; C57-C105 HydrophobicContact CB-CB 3.77Å; C57-C105 WeakPolarHBondContact CB-SG 3.48Å; C57-C105 WeakPolarHBondContact SG-CB 3.33Å; C57-C105 CovalentContact SG-SG 2.02Å; C57-C105 PolarHBondContact SG-SG 2.84Å |
| 58 | W | 93.1 | Very high | 91.8 | Very high | 117 Ų | 117 | 45 Ų | 45 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.6 | -174.1 | -179.2 | 88.4 | 0 | 0 | 0 | 112.6 | P37 S38 P60 G86 | P37-W58 WeakPolarHBondContact CA-O 3.34Å; S38-W58 PolarHBondContact N-O 3.07Å; S38-W58 PolarHBondContact O-N 3.32Å; S38-W58 PolarHBondContact OG-O 3.41Å; W58-P60 HydrophobicContact CH2-CB 4.21Å; W58-G86 CarbonylContact C-O 3.49Å; W58-G86 WeakPolarHBondContact CA-O 3.46Å |
| 59 | T | 90.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -144.5 | 147.3 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | A61 V64 F66 G86 Y107 | T59-A61 HydrophobicContact CG2-CB 4.12Å; T59-A61 PolarHBondContact O-N 3.32Å; T59-A61 PolarHBondContact OG1-N 2.99Å; T59-V64 HydrophobicContact CG2-CG2 3.74Å; T59-F66 HydrophobicContact CG2-CE1 3.72Å; T59-F66 HydrophobicContact CG2-CE2 4.45Å; T59-F66 HydrophobicContact CG2-CZ 3.43Å; T59-F66 VanDerWaalsContact CG2-CZ 3.43Å; T59-G86 PolarHBondContact N-O 3.46Å; T59-G86 CarbonylContact O-C 3.55Å; T59-G86 VanDerWaalsContact O-CA 3.28Å; T59-G86 WeakPolarHBondContact O-CA 3.41Å; T59-Y107 HydrophobicContact CG2-CD1 4.12Å; T59-Y107 HydrophobicContact CG2-CD2 4.42Å; T59-Y107 HydrophobicContact CG2-CE1 4.07Å; T59-Y107 HydrophobicContact CG2-CE2 4.36Å; T59-Y107 HydrophobicContact CG2-CG 4.3Å; T59-Y107 WeakPolarHBondContact OG1-CE1 3.31Å; T59-Y107 VanDerWaalsContact OG1-CZ 3.29Å; T59-Y107 PolarHBondContact OG1-OH 3.01Å | ||
| 60 | P | 89.4 | Confident | 91.6 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 47% | 0.468 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -67.1 | -17.6 | 171 | 28.3 | -36.2 | 0 | 0 | 0 | 112.9 | P35 W58 | P35-P60 HydrophobicContact CB-CG 4.47Å; P35-P60 HydrophobicContact CG-CG 4.1Å; W58-P60 HydrophobicContact CH2-CB 4.21Å |
| 61 | A | 85.7 | Confident | 91.3 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | trans | -70 | 141.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | T59 V64 Y107 | T59-A61 HydrophobicContact CG2-CB 4.12Å; T59-A61 PolarHBondContact O-N 3.32Å; T59-A61 PolarHBondContact OG1-N 2.99Å; A61-V64 HydrophobicContact CB-CG1 3.78Å; A61-Y107 HydrophobicContact CB-CE2 3.91Å | ||
| 62 | R | 84.9 | Confident | 90.7 | Very high | 136 Ų | 136 | 43.7 Ų | 43.7 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -100.8 | 158.4 | 178.2 | -57.8 | -57.2 | -164.5 | -149.3 | 15.1 | 111.2 | V64 E85 | R62-V64 VanDerWaalsContact C-N 3.28Å; R62-V64 PolarHBondContact O-N 3.37Å; R62-E85 IonicContact CZ-OE2 2.78Å; R62-E85 VanDerWaalsContact CZ-OE2 3.29Å; R62-E85 IonicContact NE-OE2 3.78Å; R62-E85 PolarHBondContact NE-OE2 3.3Å; R62-E85 PolarHBondContact NH1-O 3.45Å; R62-E85 IonicContact NH2-OE2 3.25Å; R62-E85 PolarHBondContact NH2-OE2 2.99Å |
| 63 | G | 84.9 | Confident | 90.4 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 52% | 0.515 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 63.9 | 34 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | K110 | G63-K110 WeakPolarHBondContact O-CB 3.38Å; G63-K110 WeakPolarHBondContact O-CG 3.39Å; G63-K110 PolarHBondContact O-N 3.06Å |
| 64 | V | 87 | Confident | 90 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 157.8 | -177.7 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | T59 A61 R62 F66 Y107 Y108 R109 K110 | T59-V64 HydrophobicContact CG2-CG2 3.74Å; A61-V64 HydrophobicContact CB-CG1 3.78Å; R62-V64 VanDerWaalsContact C-N 3.28Å; R62-V64 PolarHBondContact O-N 3.37Å; V64-F66 HydrophobicContact CG2-CD2 4.39Å; V64-F66 HydrophobicContact CG2-CE2 3.8Å; V64-F66 HydrophobicContact CG2-CZ 4.01Å; V64-Y107 HydrophobicContact CB-CD2 3.65Å; V64-Y107 HydrophobicContact CB-CE2 4.38Å; V64-Y107 HydrophobicContact CB-CG 4.31Å; V64-Y107 HydrophobicContact CG1-CD2 3.43Å; V64-Y107 VanDerWaalsContact CG1-CD2 3.43Å; V64-Y107 HydrophobicContact CG1-CE2 3.68Å; V64-Y107 HydrophobicContact CG1-CG 4.48Å; V64-Y107 HydrophobicContact CG2-CD2 4.23Å; V64-Y108 CarbonylContact C-O 3.55Å; V64-Y108 VanDerWaalsContact CA-O 3.22Å; V64-Y108 WeakPolarHBondContact CA-O 3.45Å; V64-Y108 WeakPolarHBondContact CB-O 3.4Å; V64-R109 HydrophobicContact CG1-CG 4.38Å; V64-K110 WeakPolarHBondContact O-CE 3.23Å |
| 65 | S | 87.8 | Confident | 89.4 | Confident | 30 Ų | 30 | 51 Ų | 51 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.8 | 168.5 | -68.7 | 0 | 0 | 0 | 0 | 108.5 | Y107 Y108 K110 | S65-Y107 CarbonylContact O-C 3.52Å; S65-Y107 WeakPolarHBondContact O-CA 3.25Å; S65-Y107 VanDerWaalsContact O-CB 3.25Å; S65-Y107 WeakPolarHBondContact O-CB 3.47Å; S65-Y108 VanDerWaalsContact CB-CZ 3.43Å; S65-Y108 PolarHBondContact N-O 3.04Å; S65-Y108 PolarHBondContact O-N 3.35Å; S65-K110 VanDerWaalsContact OG-CE 3.28Å; S65-K110 WeakPolarHBondContact OG-CE 3.03Å; S65-K110 WeakPolarHBondContact OG-CG 3.41Å |
| 66 | F | 90 | Very high | 87.8 | Confident | 27 Ų | 27 | 60 Ų | 60 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 151.8 | -177.4 | -67.1 | -88.9 | 0 | 0 | 0 | 111.9 | C57 T59 V64 G86 A88 F90 E106 Y107 | C57-F66 HydrophobicContact CB-CD1 3.98Å; C57-F66 HydrophobicContact CB-CE1 4.23Å; C57-F66 WeakPolarHBondContact SG-CD1 3.18Å; C57-F66 VanDerWaalsContact SG-CE1 3.57Å; T59-F66 HydrophobicContact CG2-CE1 3.72Å; T59-F66 HydrophobicContact CG2-CE2 4.45Å; T59-F66 HydrophobicContact CG2-CZ 3.43Å; T59-F66 VanDerWaalsContact CG2-CZ 3.43Å; V64-F66 HydrophobicContact CG2-CD2 4.39Å; V64-F66 HydrophobicContact CG2-CE2 3.8Å; V64-F66 HydrophobicContact CG2-CZ 4.01Å; F66-G86 WeakPolarHBondContact CZ-O 3.25Å; F66-A88 HydrophobicContact CB-CB 3.81Å; F66-A88 HydrophobicContact CD2-CB 3.34Å; F66-A88 HydrophobicContact CE2-CB 3.97Å; F66-A88 HydrophobicContact CG-CB 3.72Å; F66-F90 HydrophobicContact CB-CE2 4.42Å; F66-F90 HydrophobicContact CB-CZ 4.01Å; F66-E106 CarbonylContact C-O 3.06Å; F66-E106 WeakPolarHBondContact CA-O 3.43Å; F66-Y107 HydrophobicContact CD1-CG 4.47Å; F66-Y107 HydrophobicContact CE1-CD1 4.31Å; F66-Y107 HydrophobicContact CE1-CG 4.4Å |
| 67 | V | 90.6 | Very high | 86 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 16% | 0.164 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 123.2 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | I74 C105 E106 Y108 | V67-I74 HydrophobicContact CG1-CG1 4.29Å; V67-I74 HydrophobicContact CG1-CG2 3.74Å; V67-C105 WeakPolarHBondContact O-CA 3.49Å; V67-E106 HydrophobicContact CB-CG 3.84Å; V67-E106 HydrophobicContact CG1-CG 4.46Å; V67-E106 PolarHBondContact N-O 2.81Å; V67-E106 PolarHBondContact O-N 2.64Å; V67-Y108 HydrophobicContact CG2-CD1 4.26Å; V67-Y108 HydrophobicContact CG2-CE1 3.95Å |
| 68 | L | 93.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.4 | 173.9 | -174.9 | 73.8 | 0 | 0 | 0 | 109.5 | L39 L55 L75 F90 Y103 C105 | L39-L68 HydrophobicContact CD1-CD1 4.1Å; L39-L68 HydrophobicContact CD2-CD1 4.2Å; L55-L68 HydrophobicContact CD1-CD1 4.31Å; L55-L68 HydrophobicContact CD1-CD2 3.96Å; L68-L75 HydrophobicContact CD2-CD1 4.07Å; L68-L75 PolarHBondContact O-N 2.83Å; L68-F90 HydrophobicContact CB-CD1 3.95Å; L68-F90 HydrophobicContact CB-CD2 4.11Å; L68-F90 HydrophobicContact CB-CE1 3.78Å; L68-F90 HydrophobicContact CB-CE2 3.95Å; L68-F90 HydrophobicContact CB-CG 4.11Å; L68-F90 HydrophobicContact CB-CZ 3.78Å; L68-F90 HydrophobicContact CD1-CD2 4.35Å; L68-F90 HydrophobicContact CD2-CB 3.79Å; L68-F90 HydrophobicContact CD2-CD1 4.11Å; L68-F90 HydrophobicContact CD2-CD2 4.12Å; L68-F90 HydrophobicContact CD2-CG 3.75Å; L68-F90 HydrophobicContact CG-CD2 4.43Å; L68-F90 HydrophobicContact CG-CG 4.43Å; L68-Y103 HydrophobicContact CD1-CD1 4.37Å; L68-Y103 HydrophobicContact CD2-CD1 4.14Å; L68-Y103 HydrophobicContact CD2-CE1 4.49Å; L68-Y103 HydrophobicContact CG-CD1 4.27Å; L68-C105 HydrophobicContact CD1-CB 4.49Å |
| 69 | R | 93.8 | Very high | 81.8 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.3 | 176.1 | -67.2 | 179.4 | 177.5 | -91.7 | -0.8 | 110.5 | G72 I73 I74 Y103 T104 E106 | R69-G72 PolarHBondContact NH1-O 3.38Å; R69-I73 CarbonylContact C-O 3.58Å; R69-I73 VanDerWaalsContact CA-O 3.29Å; R69-I73 WeakPolarHBondContact CA-O 3.39Å; R69-I74 HydrophobicContact CG-CG1 4.32Å; R69-Y103 VanDerWaalsContact O-CA 3.24Å; R69-Y103 WeakPolarHBondContact O-CA 3.36Å; R69-T104 PolarHBondContact N-O 3.17Å; R69-T104 PolarHBondContact O-N 3.41Å; R69-E106 IonicContact CZ-OE1 3.24Å; R69-E106 VanDerWaalsContact CZ-OE1 3.24Å; R69-E106 IonicContact NE-OE1 2.75Å; R69-E106 PolarHBondContact NE-OE1 3.43Å; R69-E106 IonicContact NH2-OE1 2.82Å; R69-E106 PolarHBondContact NH2-OE1 2.81Å |
| 70 | K | 94.1 | Very high | 80 | Confident | 53 Ų | 53 | 70 Ų | 70 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 108 | 166.9 | -171.2 | -168 | -173.3 | -138.5 | 0 | 108.2 | G72 I73 L75 R98 N99 A100 E102 Y103 | K70-G72 PolarHBondContact O-N 3.32Å; K70-I73 PolarHBondContact N-O 2.89Å; K70-I73 PolarHBondContact O-N 2.96Å; K70-L75 HydrophobicContact CB-CD1 3.98Å; K70-L75 HydrophobicContact CB-CD2 4.32Å; K70-L75 HydrophobicContact CB-CG 4.12Å; K70-R98 PolarHBondContact NZ-O 2.96Å; K70-N99 VanDerWaalsContact CE-O 3.3Å; K70-N99 WeakPolarHBondContact CE-O 3.47Å; K70-A100 WeakPolarHBondContact CE-O 3.44Å; K70-A100 PolarHBondContact NZ-O 3.47Å; K70-E102 CarbonylContact C-O 3.55Å; K70-E102 WeakPolarHBondContact CA-O 3.37Å; K70-Y103 HydrophobicContact CB-CD1 4.1Å; K70-Y103 HydrophobicContact CB-CE1 3.87Å; K70-Y103 HydrophobicContact CD-CE1 4.2Å; K70-Y103 HydrophobicContact CD-CE2 4.2Å; K70-Y103 WeakPolarHBondContact CD-OH 3.33Å; K70-Y103 WeakPolarHBondContact CE-OH 3.44Å; K70-Y103 HydrophobicContact CG-CD1 4.29Å; K70-Y103 HydrophobicContact CG-CD2 4.36Å; K70-Y103 HydrophobicContact CG-CE1 3.89Å; K70-Y103 HydrophobicContact CG-CE2 3.91Å |
| 71 | G | 87.9 | Confident | 78.1 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 46% | 0.464 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -122 | -164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E102 | G71-E102 PolarHBondContact N-O 2.83Š|
| 72 | G | 83.9 | Confident | 76.4 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 71% | 0.711 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -8.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R69 K70 | R69-G72 PolarHBondContact NH1-O 3.38Å; K70-G72 PolarHBondContact O-N 3.32Å |
| 73 | I | 88.4 | Confident | 75 | Confident | 122 Ų | 122 | 75.1 Ų | 75.1 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.9 | -169.3 | -57.9 | 173.3 | 0 | 0 | 0 | 109.8 | R69 K70 L75 | R69-I73 CarbonylContact C-O 3.58Å; R69-I73 VanDerWaalsContact CA-O 3.29Å; R69-I73 WeakPolarHBondContact CA-O 3.39Å; K70-I73 PolarHBondContact N-O 2.89Å; K70-I73 PolarHBondContact O-N 2.96Å; I73-L75 PolarHBondContact O-N 3.43Å |
| 74 | I | 87.1 | Confident | 73.7 | Confident | 90 Ų | 90 | 76.9 Ų | 76.9 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.1 | 170.1 | -61.4 | 173.6 | 0 | 0 | 0 | 107.8 | V67 R69 E76 | V67-I74 HydrophobicContact CG1-CG1 4.29Å; V67-I74 HydrophobicContact CG1-CG2 3.74Å; R69-I74 HydrophobicContact CG-CG1 4.32Å; I74-E76 PolarHBondContact O-N 3.33Å |
| 75 | L | 82.3 | Confident | 72.8 | Confident | 54 Ų | 54 | 83.4 Ų | 83.4 | 28% | 0.283 | 47% | 0.468 | S | S | . | . | trans | -84.1 | 111.1 | 171.1 | -65 | -178.2 | 0 | 0 | 0 | 108 | L68 K70 I73 S77 Y103 | L68-L75 HydrophobicContact CD2-CD1 4.07Å; L68-L75 PolarHBondContact O-N 2.83Å; K70-L75 HydrophobicContact CB-CD1 3.98Å; K70-L75 HydrophobicContact CB-CD2 4.32Å; K70-L75 HydrophobicContact CB-CG 4.12Å; I73-L75 PolarHBondContact O-N 3.43Å; L75-S77 PolarHBondContact O-N 3.45Å; L75-Y103 HydrophobicContact CD1-CD1 4.22Å; L75-Y103 HydrophobicContact CD1-CE1 3.58Å | ||
| 76 | E | 61.1 | Low | 72.4 | Confident | 189 Ų | 189 | 82.2 Ų | 82.2 | 88% | 0.883 | 46% | 0.461 | S | S | * | . | trans | -62.6 | 102.8 | 169.9 | -68.7 | -175.1 | 173.9 | 0 | 0 | 108.2 | I74 | I74-E76 PolarHBondContact O-N 3.33Š| ||
| 77 | S | 56.5 | Low | 72.3 | Confident | 45 Ų | 45 | 81 Ų | 81 | 32% | 0.315 | 46% | 0.456 | S | S | . | . | trans | -75 | 138.2 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | L75 K79 | L75-S77 PolarHBondContact O-N 3.45Å; S77-K79 PolarHBondContact O-N 3.27Å; S77-K79 VanDerWaalsContact O-N 3.07Å | ||
| 78 | P | 48.6 | Very low | 72.2 | Confident | 118 Ų | 118 | 80 Ų | 80 | 77% | 0.766 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -65.3 | 108.9 | 156.8 | 26.9 | -27.1 | 0 | 0 | 0 | 106.5 | ||
| 79 | K | 48.7 | Very low | 72.1 | Confident | 185 Ų | 185 | 83.1 Ų | 83.1 | 80% | 0.804 | 46% | 0.464 | S | S | * | . | trans | 16.9 | 118.8 | 172.1 | -70 | 173.4 | -179.7 | 176.8 | 0 | 115.5 | S77 L81 | S77-K79 PolarHBondContact O-N 3.27Å; S77-K79 VanDerWaalsContact O-N 3.07Å; K79-L81 PolarHBondContact O-N 3.13Å | ||
| 80 | P | 54.3 | Low | 71.9 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 51% | 0.506 | 46% | 0.458 | S | S | . | . | trans | -54 | 112.1 | 171.9 | 21.4 | -29.9 | 0 | 0 | 0 | 109.1 | D82 | P80-D82 PolarHBondContact O-N 3.03Š| ||
| 81 | L | 49.3 | Very low | 71.8 | Confident | 140 Ų | 140 | 82.9 Ų | 82.9 | 73% | 0.733 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -70.7 | 111.4 | 174.5 | -167.2 | 72 | 0 | 0 | 0 | 105.5 | K79 | K79-L81 PolarHBondContact O-N 3.13Š|
| 82 | D | 50.6 | Low | 72.1 | Confident | 134 Ų | 134 | 82.1 Ų | 82.1 | 72% | 0.717 | 45% | 0.451 | S | S | * | . | trans | 39.9 | 97.2 | -177.8 | -68.1 | -31.4 | 0 | 0 | 0 | 114.1 | P80 T84 | P80-D82 PolarHBondContact O-N 3.03Å; D82-T84 PolarHBondContact O-N 2.94Å | ||
| 83 | S | 54.8 | Low | 72.6 | Confident | 59 Ų | 59 | 83.8 Ų | 83.8 | 41% | 0.413 | 44% | 0.444 | S | S | . | . | trans | -63.9 | 78.4 | 160.8 | 64.3 | 0 | 0 | 0 | 0 | 108.6 | E85 A87 | S83-E85 PolarHBondContact O-N 3.02Å; S83-A87 WeakPolarHBondContact CA-O 3.33Å | ||
| 84 | T | 57.5 | Low | 72.9 | Confident | 87 Ų | 87 | 82.3 Ų | 82.3 | 53% | 0.534 | 44% | 0.437 | S | S | . | . | trans | -48 | 133.5 | 158.6 | 49.1 | 0 | 0 | 0 | 0 | 106.4 | D82 G86 A87 | D82-T84 PolarHBondContact O-N 2.94Å; T84-G86 PolarHBondContact O-N 3.38Å; T84-A87 PolarHBondContact O-N 2.85Å | ||
| 85 | E | 69.1 | Low | 73.3 | Confident | 144 Ų | 144 | 78.1 Ų | 78.1 | 67% | 0.673 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 113.5 | -157 | -50.2 | -175.5 | 152 | 0 | 0 | 112.1 | R62 S83 | R62-E85 IonicContact CZ-OE2 2.78Å; R62-E85 VanDerWaalsContact CZ-OE2 3.29Å; R62-E85 IonicContact NE-OE2 3.78Å; R62-E85 PolarHBondContact NE-OE2 3.3Å; R62-E85 PolarHBondContact NH1-O 3.45Å; R62-E85 IonicContact NH2-OE2 3.25Å; R62-E85 PolarHBondContact NH2-OE2 2.99Å; S83-E85 PolarHBondContact O-N 3.02Å |
| 86 | G | 77.9 | Confident | 73.8 | Confident | 6 Ų | 6 | 78.5 Ų | 78.5 | 6% | 0.062 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 10.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | W58 T59 F66 T84 | W58-G86 CarbonylContact C-O 3.49Å; W58-G86 WeakPolarHBondContact CA-O 3.46Å; T59-G86 PolarHBondContact N-O 3.46Å; T59-G86 CarbonylContact O-C 3.55Å; T59-G86 VanDerWaalsContact O-CA 3.28Å; T59-G86 WeakPolarHBondContact O-CA 3.41Å; F66-G86 WeakPolarHBondContact CZ-O 3.25Å; T84-G86 PolarHBondContact O-N 3.38Å |
| 87 | A | 88.1 | Confident | 75.2 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 2% | 0.017 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 154 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C57 S83 T84 | C57-A87 CarbonylContact O-C 3.52Å; C57-A87 VanDerWaalsContact O-CA 3.28Å; C57-A87 WeakPolarHBondContact O-CA 3.4Å; S83-A87 WeakPolarHBondContact CA-O 3.33Å; T84-A87 PolarHBondContact O-N 2.85Å |
| 88 | A | 88.5 | Confident | 76.9 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 3% | 0.033 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R56 C57 F66 F90 | R56-A88 WeakPolarHBondContact CA-O 3.31Å; C57-A88 PolarHBondContact N-O 2.73Å; C57-A88 PolarHBondContact O-N 3.22Å; F66-A88 HydrophobicContact CB-CB 3.81Å; F66-A88 HydrophobicContact CD2-CB 3.34Å; F66-A88 HydrophobicContact CE2-CB 3.97Å; F66-A88 HydrophobicContact CG-CB 3.72Å; A88-F90 HydrophobicContact CB-CE2 4.03Å; A88-F90 HydrophobicContact CB-CZ 4.21Å |
| 89 | E | 91 | Very high | 79 | Confident | 68 Ų | 68 | 74.6 Ų | 74.6 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.9 | 178.1 | -64.4 | -170.3 | 172.7 | 0 | 0 | 110.1 | T54 R56 H91 | T54-E89 HydrophobicContact CG2-CB 3.86Å; T54-E89 HydrophobicContact CG2-CG 4.26Å; R56-E89 HydrophobicContact CB-CG 4.3Å; R56-E89 HydrophobicContact CG-CG 4.09Å; R56-E89 IonicContact CZ-OE1 2.69Å; R56-E89 IonicContact NE-OE1 3.97Å; R56-E89 IonicContact NH1-OE1 3.29Å; R56-E89 PolarHBondContact NH1-OE1 3.5Å; E89-H91 IonicContact OE2-CE1 3.47Å |
| 90 | F | 91.1 | Very high | 81.3 | Confident | 15 Ų | 15 | 66 Ų | 66 | 7% | 0.066 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 106.4 | 179.6 | -58.2 | -87.8 | 0 | 0 | 0 | 108.5 | T54 L55 C57 F66 L68 A88 | T54-F90 WeakPolarHBondContact CA-O 2.94Å; L55-F90 HydrophobicContact CB-CB 4.33Å; L55-F90 PolarHBondContact N-O 3.4Å; L55-F90 WeakPolarHBondContact O-CD2 3.47Å; L55-F90 PolarHBondContact O-N 2.96Å; C57-F90 HydrophobicContact CB-CE2 4.17Å; F66-F90 HydrophobicContact CB-CE2 4.42Å; F66-F90 HydrophobicContact CB-CZ 4.01Å; L68-F90 HydrophobicContact CB-CD1 3.95Å; L68-F90 HydrophobicContact CB-CD2 4.11Å; L68-F90 HydrophobicContact CB-CE1 3.78Å; L68-F90 HydrophobicContact CB-CE2 3.95Å; L68-F90 HydrophobicContact CB-CG 4.11Å; L68-F90 HydrophobicContact CB-CZ 3.78Å; L68-F90 HydrophobicContact CD1-CD2 4.35Å; L68-F90 HydrophobicContact CD2-CB 3.79Å; L68-F90 HydrophobicContact CD2-CD1 4.11Å; L68-F90 HydrophobicContact CD2-CD2 4.12Å; L68-F90 HydrophobicContact CD2-CG 3.75Å; L68-F90 HydrophobicContact CG-CD2 4.43Å; L68-F90 HydrophobicContact CG-CG 4.43Å; A88-F90 HydrophobicContact CB-CE2 4.03Å; A88-F90 HydrophobicContact CB-CZ 4.21Å |
| 91 | H | 92.2 | Very high | 83.2 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 40% | 0.403 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 114.8 | -179.1 | -53.9 | -68.7 | 0 | 0 | 0 | 110.7 | T54 E89 | T54-H91 WeakPolarHBondContact CG2-ND1 3.43Å; T54-H91 PolarHBondContact OG1-ND1 3.39Å; E89-H91 IonicContact OE2-CE1 3.47Å |
| 92 | L | 93.1 | Very high | 85.5 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 107 | 173.2 | -58.4 | 176.4 | 0 | 0 | 0 | 108.4 | N52 V53 L55 L95 Y103 L125 | N52-L92 VanDerWaalsContact CA-O 3.29Å; N52-L92 WeakPolarHBondContact CA-O 3.27Å; V53-L92 HydrophobicContact CG1-CB 3.92Å; V53-L92 HydrophobicContact CG1-CD1 4.05Å; V53-L92 HydrophobicContact CG1-CG 4.43Å; V53-L92 PolarHBondContact N-O 3.46Å; V53-L92 PolarHBondContact O-N 3.26Å; L55-L92 HydrophobicContact CD1-CD1 3.78Å; L55-L92 HydrophobicContact CG-CD1 4.15Å; L92-L95 HydrophobicContact CB-CD2 3.77Å; L92-L95 HydrophobicContact CD1-CD2 4.5Å; L92-Y103 HydrophobicContact CD1-CE1 4.06Å; L92-L125 HydrophobicContact CD1-CD2 3.9Å |
| 93 | N | 94.1 | Very high | 87.7 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 56% | 0.556 | 27% | 0.269 | S | S | * | . | trans | -104.1 | 155.1 | -176.6 | -60.9 | -43.6 | 0 | 0 | 0 | 112.2 | N52 L95 | N52-N93 VanDerWaalsContact CG-OD1 3.29Å; N52-N93 WeakPolarHBondContact OD1-CA 3.46Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.8Å | ||
| 94 | N | 94.8 | Very high | 89.7 | Confident | 91 Ų | 91 | 52 Ų | 52 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 51.4 | 50.7 | 177.2 | -174.5 | 20.6 | 0 | 0 | 0 | 112.1 | S51 N52 K96 | S51-N94 PolarHBondContact O-N 3.23Å; N52-N94 PolarHBondContact OD1-N 2.78Å; N94-K96 PolarHBondContact O-N 2.92Å; N94-K96 PolarHBondContact OD1-NZ 2.8Å |
| 95 | L | 95 | Very high | 91.4 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -55.6 | 133.9 | -173.2 | -71.9 | 170.6 | 0 | 0 | 0 | 112.2 | V47 N50 S51 V53 L92 N93 N99 V127 | V47-L95 HydrophobicContact CB-CD1 4.3Å; V47-L95 HydrophobicContact CG2-CD1 3.37Å; N50-L95 PolarHBondContact N-O 3.24Å; S51-L95 WeakPolarHBondContact O-CB 3.43Å; S51-L95 WeakPolarHBondContact O-CG 3.47Å; S51-L95 PolarHBondContact O-N 3.4Å; V53-L95 HydrophobicContact CB-CD1 4.21Å; V53-L95 HydrophobicContact CG1-CD1 3.87Å; V53-L95 HydrophobicContact CG1-CD2 4.35Å; L92-L95 HydrophobicContact CB-CD2 3.77Å; L92-L95 HydrophobicContact CD1-CD2 4.5Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.8Å; L95-N99 HydrophobicContact CD2-CB 3.68Å; L95-V127 HydrophobicContact CB-CG1 4.33Å; L95-V127 HydrophobicContact CB-CG2 4.35Å | ||
| 96 | K | 93.6 | Very high | 92.5 | Very high | 63 Ų | 63 | 41.4 Ų | 41.4 | 27% | 0.274 | 20% | 0.2 | S | C | . | . | trans | -109.7 | 162.8 | 170.3 | -56.9 | -50.6 | -174.5 | -158.4 | 0 | 109.4 | N50 N94 R98 N99 | N50-K96 PolarHBondContact OD1-NZ 2.93Å; N94-K96 PolarHBondContact O-N 2.92Å; N94-K96 PolarHBondContact OD1-NZ 2.8Å; K96-R98 HydrophobicContact CB-CG 3.91Å; K96-R98 PolarHBondContact O-N 2.94Å; K96-R98 VanDerWaalsContact O-N 3.09Å; K96-N99 PolarHBondContact N-OD1 3.32Å; K96-N99 VanDerWaalsContact O-CB 3.26Å; K96-N99 WeakPolarHBondContact O-CB 3.41Å; K96-N99 PolarHBondContact O-N 3.33Å; K96-N99 PolarHBondContact O-OD1 3.35Å | ||
| 97 | V | 90.7 | Very high | 93.1 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 22% | 0.218 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -53 | -36 | 178 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | N99 A100 H130 W214 | V97-N99 PolarHBondContact O-N 3.17Å; V97-N99 VanDerWaalsContact O-N 3.1Å; V97-A100 VanDerWaalsContact O-CB 3.28Å; V97-A100 WeakPolarHBondContact O-CB 3.29Å; V97-A100 PolarHBondContact O-N 2.95Å; V97-H130 HydrophobicContact CG1-CB 4.29Å; V97-H130 HydrophobicContact CG2-CB 4.28Å; V97-W214 VanDerWaalsContact CG1-CD1 3.46Å |
| 98 | R | 91 | Very high | 93.2 | Very high | 194 Ų | 194 | 44.4 Ų | 44.4 | 73% | 0.732 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -62.2 | -14.1 | 174.8 | 64.6 | 169.2 | 179 | -102.4 | 0.8 | 115 | K70 K96 A100 | K70-R98 PolarHBondContact NZ-O 2.96Å; K96-R98 HydrophobicContact CB-CG 3.91Å; K96-R98 PolarHBondContact O-N 2.94Å; K96-R98 VanDerWaalsContact O-N 3.09Å; R98-A100 VanDerWaalsContact C-N 3.31Å |
| 99 | N | 93.9 | Very high | 93.2 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 21% | 0.214 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -80.7 | -13.5 | 174.6 | -63.5 | 99.9 | 0 | 0 | 0 | 112 | K70 L95 K96 V97 Y103 V127 | K70-N99 VanDerWaalsContact CE-O 3.3Å; K70-N99 WeakPolarHBondContact CE-O 3.47Å; L95-N99 HydrophobicContact CD2-CB 3.68Å; K96-N99 PolarHBondContact N-OD1 3.32Å; K96-N99 VanDerWaalsContact O-CB 3.26Å; K96-N99 WeakPolarHBondContact O-CB 3.41Å; K96-N99 PolarHBondContact O-N 3.33Å; K96-N99 PolarHBondContact O-OD1 3.35Å; V97-N99 PolarHBondContact O-N 3.17Å; V97-N99 VanDerWaalsContact O-N 3.1Å; N99-Y103 WeakPolarHBondContact O-CE2 3.39Å; N99-Y103 PolarHBondContact O-OH 2.78Å; N99-V127 HydrophobicContact CB-CG2 4.25Å |
| 100 | A | 95.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | trans | -63 | 145.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K70 V97 R98 L125 V127 F213 | K70-A100 WeakPolarHBondContact CE-O 3.44Å; K70-A100 PolarHBondContact NZ-O 3.47Å; V97-A100 VanDerWaalsContact O-CB 3.28Å; V97-A100 WeakPolarHBondContact O-CB 3.29Å; V97-A100 PolarHBondContact O-N 2.95Å; R98-A100 VanDerWaalsContact C-N 3.31Å; A100-L125 CarbonylContact C-O 3.46Å; A100-L125 VanDerWaalsContact CA-O 3.24Å; A100-L125 WeakPolarHBondContact CA-O 3.43Å; A100-V127 HydrophobicContact CB-CB 4.32Å; A100-V127 HydrophobicContact CB-CG2 4.25Å; A100-F213 HydrophobicContact CB-CB 4.15Å | ||
| 101 | G | 95.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.4 | -172.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y103 L125 | G101-Y103 VanDerWaalsContact O-CD2 3.24Å; G101-Y103 WeakPolarHBondContact O-CD2 3.39Å; G101-L125 PolarHBondContact N-O 2.84Å; G101-L125 PolarHBondContact O-N 2.79Å |
| 102 | E | 96.5 | Very high | 92.5 | Very high | 93 Ų | 93 | 54 Ų | 54 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.3 | -176.6 | -66.8 | 173.7 | 174.2 | 0 | 0 | 110.5 | K70 G71 V122 L124 F213 | K70-E102 CarbonylContact C-O 3.55Å; K70-E102 WeakPolarHBondContact CA-O 3.37Å; G71-E102 PolarHBondContact N-O 2.83Å; E102-V122 HydrophobicContact CB-CG1 3.63Å; E102-V122 HydrophobicContact CG-CG1 3.76Å; E102-L124 HydrophobicContact CG-CD1 4.08Å; E102-F213 HydrophobicContact CG-CE1 4.43Å; E102-F213 HydrophobicContact CG-CZ 4.05Å |
| 103 | Y | 96.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.3 | 177.5 | -69.9 | -104.4 | 0 | 0 | 0 | 110.4 | L55 L68 R69 K70 L75 L92 N99 G101 L123 L125 | L55-Y103 HydrophobicContact CD1-CD1 3.51Å; L55-Y103 HydrophobicContact CD1-CD2 4.48Å; L55-Y103 HydrophobicContact CD1-CE1 3.87Å; L55-Y103 HydrophobicContact CD1-CG 3.84Å; L68-Y103 HydrophobicContact CD1-CD1 4.37Å; L68-Y103 HydrophobicContact CD2-CD1 4.14Å; L68-Y103 HydrophobicContact CD2-CE1 4.49Å; L68-Y103 HydrophobicContact CG-CD1 4.27Å; R69-Y103 VanDerWaalsContact O-CA 3.24Å; R69-Y103 WeakPolarHBondContact O-CA 3.36Å; K70-Y103 HydrophobicContact CB-CD1 4.1Å; K70-Y103 HydrophobicContact CB-CE1 3.87Å; K70-Y103 HydrophobicContact CD-CE1 4.2Å; K70-Y103 HydrophobicContact CD-CE2 4.2Å; K70-Y103 WeakPolarHBondContact CD-OH 3.33Å; K70-Y103 WeakPolarHBondContact CE-OH 3.44Å; K70-Y103 HydrophobicContact CG-CD1 4.29Å; K70-Y103 HydrophobicContact CG-CD2 4.36Å; K70-Y103 HydrophobicContact CG-CE1 3.89Å; K70-Y103 HydrophobicContact CG-CE2 3.91Å; L75-Y103 HydrophobicContact CD1-CD1 4.22Å; L75-Y103 HydrophobicContact CD1-CE1 3.58Å; L92-Y103 HydrophobicContact CD1-CE1 4.06Å; N99-Y103 WeakPolarHBondContact O-CE2 3.39Å; N99-Y103 PolarHBondContact O-OH 2.78Å; G101-Y103 VanDerWaalsContact O-CD2 3.24Å; G101-Y103 WeakPolarHBondContact O-CD2 3.39Å; Y103-L123 PolarHBondContact N-O 2.88Å; Y103-L123 PolarHBondContact O-N 3.46Å; Y103-L125 HydrophobicContact CD2-CB 3.81Å; Y103-L125 HydrophobicContact CE2-CB 3.65Å; Y103-L125 HydrophobicContact CE2-CD2 3.82Å; Y103-L125 HydrophobicContact CE2-CG 4.37Å |
| 104 | T | 96.8 | Very high | 91.8 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 155.2 | 171.5 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | R69 V122 | R69-T104 PolarHBondContact N-O 3.17Å; R69-T104 PolarHBondContact O-N 3.41Å; T104-V122 HydrophobicContact CG2-CB 4.49Å; T104-V122 HydrophobicContact CG2-CG2 3.81Å |
| 105 | C | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.4 | 175 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | P37 L39 C57 V67 L68 H119 S120 | P37-C105 WeakPolarHBondContact CG-O 3.33Å; L39-C105 HydrophobicContact CB-CB 4.38Å; L39-C105 HydrophobicContact CD1-CB 4.14Å; L39-C105 HydrophobicContact CD2-CB 4.33Å; C57-C105 HydrophobicContact CB-CB 3.77Å; C57-C105 WeakPolarHBondContact CB-SG 3.48Å; C57-C105 WeakPolarHBondContact SG-CB 3.33Å; C57-C105 CovalentContact SG-SG 2.02Å; C57-C105 PolarHBondContact SG-SG 2.84Å; V67-C105 WeakPolarHBondContact O-CA 3.49Å; L68-C105 HydrophobicContact CD1-CB 4.49Å; C105-H119 CarbonylContact O-C 3.59Å; C105-H119 WeakPolarHBondContact O-CA 3.45Å; C105-S120 PolarHBondContact N-OG 3Å; C105-S120 PolarHBondContact O-N 3.06Å |
| 106 | E | 92.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 169.6 | 169 | 65 | -171 | 165.1 | 0 | 0 | 109.5 | F66 V67 R69 L116 H119 | F66-E106 CarbonylContact C-O 3.06Å; F66-E106 WeakPolarHBondContact CA-O 3.43Å; V67-E106 HydrophobicContact CB-CG 3.84Å; V67-E106 HydrophobicContact CG1-CG 4.46Å; V67-E106 PolarHBondContact N-O 2.81Å; V67-E106 PolarHBondContact O-N 2.64Å; R69-E106 IonicContact CZ-OE1 3.24Å; R69-E106 VanDerWaalsContact CZ-OE1 3.24Å; R69-E106 IonicContact NE-OE1 2.75Å; R69-E106 PolarHBondContact NE-OE1 3.43Å; R69-E106 IonicContact NH2-OE1 2.82Å; R69-E106 PolarHBondContact NH2-OE1 2.81Å; E106-L116 HydrophobicContact CG-CD2 4.42Å; E106-H119 IonicContact OE1-CE1 3.92Å; E106-H119 IonicContact OE2-CE1 2.94Å; E106-H119 PolarHBondContact OE2-CE1 3.2Å; E106-H119 IonicContact OE2-ND1 3.23Å; E106-H119 PolarHBondContact OE2-ND1 2.86Å; E106-H119 IonicContact OE2-NE2 3.99Å |
| 107 | Y | 90.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 162.5 | 173.2 | 69 | -87.7 | 0 | 0 | 0 | 111.5 | L34 P35 P37 T59 A61 V64 S65 F66 L116 S117 | L34-Y107 HydrophobicContact CB-CE2 4.27Å; L34-Y107 HydrophobicContact CD1-CE2 4.12Å; P35-Y107 WeakPolarHBondContact CD-OH 3.39Å; P35-Y107 VanDerWaalsContact CG-OH 3.22Å; P35-Y107 WeakPolarHBondContact CG-OH 3.45Å; P35-Y107 WeakPolarHBondContact O-CE1 3.08Å; P35-Y107 VanDerWaalsContact O-CZ 3.3Å; P35-Y107 PolarHBondContact O-OH 3.4Å; P37-Y107 HydrophobicContact CB-CD1 3.81Å; P37-Y107 HydrophobicContact CB-CE1 3.93Å; P37-Y107 HydrophobicContact CG-CD1 3.9Å; P37-Y107 HydrophobicContact CG-CE1 4.1Å; T59-Y107 HydrophobicContact CG2-CD1 4.12Å; T59-Y107 HydrophobicContact CG2-CD2 4.42Å; T59-Y107 HydrophobicContact CG2-CE1 4.07Å; T59-Y107 HydrophobicContact CG2-CE2 4.36Å; T59-Y107 HydrophobicContact CG2-CG 4.3Å; T59-Y107 WeakPolarHBondContact OG1-CE1 3.31Å; T59-Y107 VanDerWaalsContact OG1-CZ 3.29Å; T59-Y107 PolarHBondContact OG1-OH 3.01Å; A61-Y107 HydrophobicContact CB-CE2 3.91Å; V64-Y107 HydrophobicContact CB-CD2 3.65Å; V64-Y107 HydrophobicContact CB-CE2 4.38Å; V64-Y107 HydrophobicContact CB-CG 4.31Å; V64-Y107 HydrophobicContact CG1-CD2 3.43Å; V64-Y107 VanDerWaalsContact CG1-CD2 3.43Å; V64-Y107 HydrophobicContact CG1-CE2 3.68Å; V64-Y107 HydrophobicContact CG1-CG 4.48Å; V64-Y107 HydrophobicContact CG2-CD2 4.23Å; S65-Y107 CarbonylContact O-C 3.52Å; S65-Y107 WeakPolarHBondContact O-CA 3.25Å; S65-Y107 VanDerWaalsContact O-CB 3.25Å; S65-Y107 WeakPolarHBondContact O-CB 3.47Å; F66-Y107 HydrophobicContact CD1-CG 4.47Å; F66-Y107 HydrophobicContact CE1-CD1 4.31Å; F66-Y107 HydrophobicContact CE1-CG 4.4Å; Y107-L116 CarbonylContact O-C 3.59Å; Y107-L116 WeakPolarHBondContact O-CA 2.97Å; Y107-S117 VanDerWaalsContact CD1-OG 3.28Å; Y107-S117 WeakPolarHBondContact CD1-OG 3.34Å; Y107-S117 WeakPolarHBondContact CE1-OG 3.48Å; Y107-S117 PolarHBondContact N-OG 3.24Å; Y107-S117 PolarHBondContact O-N 3.39Å; Y107-S117 PolarHBondContact O-OG 3.37Å |
| 108 | Y | 89.4 | Confident | 91.3 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 28% | 0.275 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 157.9 | 171.3 | 59.2 | -91.9 | 0 | 0 | 0 | 110.1 | V64 S65 V67 P113 I115 | V64-Y108 CarbonylContact C-O 3.55Å; V64-Y108 VanDerWaalsContact CA-O 3.22Å; V64-Y108 WeakPolarHBondContact CA-O 3.45Å; V64-Y108 WeakPolarHBondContact CB-O 3.4Å; S65-Y108 VanDerWaalsContact CB-CZ 3.43Å; S65-Y108 PolarHBondContact N-O 3.04Å; S65-Y108 PolarHBondContact O-N 3.35Å; V67-Y108 HydrophobicContact CG2-CD1 4.26Å; V67-Y108 HydrophobicContact CG2-CE1 3.95Å; Y108-P113 HydrophobicContact CD2-CB 3.94Å; Y108-P113 HydrophobicContact CE2-CB 4.04Å; Y108-I115 WeakPolarHBondContact CA-O 3.26Å; Y108-I115 VanDerWaalsContact CB-O 3.3Å; Y108-I115 WeakPolarHBondContact CB-O 3.3Å |
| 109 | R | 88 | Confident | 91.4 | Very high | 124 Ų | 124 | 59.3 Ų | 59.3 | 47% | 0.468 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.2 | 174 | -68.5 | -175.1 | 178.2 | -178.1 | 3.9 | 109.6 | L34 V64 A111 S112 | L34-R109 HydrophobicContact CD1-CG 4.47Å; L34-R109 HydrophobicContact CD2-CG 4.17Å; V64-R109 HydrophobicContact CG1-CG 4.38Å; R109-A111 PolarHBondContact O-N 3.32Å; R109-S112 WeakPolarHBondContact CB-OG 3.5Å; R109-S112 CarbonylContact O-C 3.59Å; R109-S112 PolarHBondContact O-N 3.24Å |
| 110 | K | 85.2 | Confident | 91.6 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -36.2 | 179 | -69.5 | 176.2 | -178.6 | 178 | 0 | 112.5 | G63 V64 S65 S112 | G63-K110 WeakPolarHBondContact O-CB 3.38Å; G63-K110 WeakPolarHBondContact O-CG 3.39Å; G63-K110 PolarHBondContact O-N 3.06Å; V64-K110 WeakPolarHBondContact O-CE 3.23Å; S65-K110 VanDerWaalsContact OG-CE 3.28Å; S65-K110 WeakPolarHBondContact OG-CE 3.03Å; S65-K110 WeakPolarHBondContact OG-CG 3.41Å; K110-S112 VanDerWaalsContact C-N 3.27Å; K110-S112 PolarHBondContact O-N 3.26Å |
| 111 | A | 87.3 | Confident | 91.6 | Very high | 104 Ų | 104 | 62.9 Ų | 62.9 | 86% | 0.86 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | R109 | R109-A111 PolarHBondContact O-N 3.32Š|
| 112 | S | 87.8 | Confident | 91.6 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 74.8 | -178.7 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | R109 K110 H114 I115 | R109-S112 WeakPolarHBondContact CB-OG 3.5Å; R109-S112 CarbonylContact O-C 3.59Å; R109-S112 PolarHBondContact O-N 3.24Å; K110-S112 VanDerWaalsContact C-N 3.27Å; K110-S112 PolarHBondContact O-N 3.26Å; S112-H114 PolarHBondContact O-N 3.4Å; S112-H114 VanDerWaalsContact O-N 3.11Å; S112-I115 PolarHBondContact O-N 3.22Å; S112-I115 VanDerWaalsContact O-N 3.15Å |
| 113 | P | 84.9 | Confident | 91.6 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 43% | 0.429 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | -18.6 | -171.6 | -23.8 | 35.1 | 0 | 0 | 0 | 115.3 | Y108 I115 | Y108-P113 HydrophobicContact CD2-CB 3.94Å; Y108-P113 HydrophobicContact CE2-CB 4.04Å; P113-I115 VanDerWaalsContact C-N 3.26Å; P113-I115 PolarHBondContact O-N 3.32Å |
| 114 | H | 86.7 | Confident | 91.6 | Very high | 179 Ų | 179 | 65.4 Ų | 65.4 | 83% | 0.829 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -11.6 | 178.8 | -53.8 | -58.1 | 0 | 0 | 0 | 113.7 | S112 | S112-H114 PolarHBondContact O-N 3.4Å; S112-H114 VanDerWaalsContact O-N 3.11Å |
| 115 | I | 86.8 | Confident | 91.6 | Very high | 87 Ų | 87 | 64.5 Ų | 64.5 | 45% | 0.446 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 107.8 | -179.9 | -56.2 | 177.2 | 0 | 0 | 0 | 108.4 | L34 Y108 S112 P113 | L34-I115 HydrophobicContact CD1-CG2 3.9Å; L34-I115 HydrophobicContact CG-CG2 4.2Å; Y108-I115 WeakPolarHBondContact CA-O 3.26Å; Y108-I115 VanDerWaalsContact CB-O 3.3Å; Y108-I115 WeakPolarHBondContact CB-O 3.3Å; S112-I115 PolarHBondContact O-N 3.22Å; S112-I115 VanDerWaalsContact O-N 3.15Å; P113-I115 VanDerWaalsContact C-N 3.26Å; P113-I115 PolarHBondContact O-N 3.32Å |
| 116 | L | 89.6 | Confident | 91.8 | Very high | 85 Ų | 85 | 64.7 Ų | 64.7 | 45% | 0.445 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 151.9 | 177.9 | -70.7 | 85.2 | 0 | 0 | 0 | 111.3 | E106 Y107 | E106-L116 HydrophobicContact CG-CD2 4.42Å; Y107-L116 CarbonylContact O-C 3.59Å; Y107-L116 WeakPolarHBondContact O-CA 2.97Å |
| 117 | S | 92.9 | Very high | 92 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.063 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 167.9 | 166.4 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | Y107 | Y107-S117 VanDerWaalsContact CD1-OG 3.28Å; Y107-S117 WeakPolarHBondContact CD1-OG 3.34Å; Y107-S117 WeakPolarHBondContact CE1-OG 3.48Å; Y107-S117 PolarHBondContact N-OG 3.24Å; Y107-S117 PolarHBondContact O-N 3.39Å; Y107-S117 PolarHBondContact O-OG 3.37Å |
| 118 | Q | 94.6 | Very high | 92.3 | Very high | 118 Ų | 118 | 64.4 Ų | 64.4 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 159.4 | 159.8 | -62.6 | 179.7 | 4.4 | 0 | 0 | 110.5 | P37 | P37-Q118 WeakPolarHBondContact CD-O 3.35Š|
| 119 | H | 94.8 | Very high | 92.3 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 40% | 0.398 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 148.5 | 169.9 | -64.3 | -51.1 | 0 | 0 | 0 | 111.4 | K36 C105 E106 | K36-H119 WeakPolarHBondContact CE-O 3.48Å; K36-H119 WeakPolarHBondContact CG-O 3.31Å; C105-H119 CarbonylContact O-C 3.59Å; C105-H119 WeakPolarHBondContact O-CA 3.45Å; E106-H119 IonicContact OE1-CE1 3.92Å; E106-H119 IonicContact OE2-CE1 2.94Å; E106-H119 PolarHBondContact OE2-CE1 3.2Å; E106-H119 IonicContact OE2-ND1 3.23Å; E106-H119 PolarHBondContact OE2-ND1 2.86Å; E106-H119 IonicContact OE2-NE2 3.99Å |
| 120 | S | 96.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 169.9 | 167.9 | 70.9 | 0 | 0 | 0 | 0 | 111.8 | P37 C105 | P37-S120 WeakPolarHBondContact O-CA 3.44Å; P37-S120 VanDerWaalsContact O-CB 3.28Å; P37-S120 WeakPolarHBondContact O-CB 3.32Å; C105-S120 PolarHBondContact N-OG 3Å; C105-S120 PolarHBondContact O-N 3.06Å |
| 121 | D | 96.1 | Very high | 92.9 | Very high | 113 Ų | 113 | 56.9 Ų | 56.9 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 150.4 | 160.9 | -67 | -54.1 | 0 | 0 | 0 | 110.7 | K36 L123 | K36-D121 IonicContact NZ-OD1 2.61Å; K36-D121 PolarHBondContact NZ-OD1 3Å; K36-D121 IonicContact NZ-OD2 2.97Å; K36-D121 PolarHBondContact NZ-OD2 3.39Å; D121-L123 PolarHBondContact O-N 3.49Å |
| 122 | V | 96.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 54.5 Ų | 54.5 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 125.2 | -178.3 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | E102 T104 | E102-V122 HydrophobicContact CB-CG1 3.63Å; E102-V122 HydrophobicContact CG-CG1 3.76Å; T104-V122 HydrophobicContact CG2-CB 4.49Å; T104-V122 HydrophobicContact CG2-CG2 3.81Å |
| 123 | L | 96.7 | Very high | 93.6 | Very high | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 112.1 | 168 | -173 | 149 | 0 | 0 | 0 | 108.8 | L39 A41 L55 Y103 D121 L125 | L39-L123 HydrophobicContact CD2-CB 3.84Å; L39-L123 HydrophobicContact CG-CB 4.12Å; L39-L123 HydrophobicContact CG-CD1 4.18Å; A41-L123 HydrophobicContact CB-CD1 3.78Å; A41-L123 HydrophobicContact CB-CD2 4.13Å; L55-L123 HydrophobicContact CD2-CD2 3.99Å; Y103-L123 PolarHBondContact N-O 2.88Å; Y103-L123 PolarHBondContact O-N 3.46Å; D121-L123 PolarHBondContact O-N 3.49Å; L123-L125 HydrophobicContact CD2-CB 4.2Å; L123-L125 PolarHBondContact O-N 2.84Å |
| 124 | L | 96.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 109 | 172.4 | -179.5 | 62 | 0 | 0 | 0 | 109.6 | E102 L126 Y207 F213 | E102-L124 HydrophobicContact CG-CD1 4.08Å; L124-L126 HydrophobicContact CD1-CD2 4.29Å; L124-L126 HydrophobicContact CD2-CD2 4.1Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD2 4.01Å; L124-L126 HydrophobicContact CG-CG 4.23Å; L124-Y207 HydrophobicContact CD2-CD2 4.2Å; L124-Y207 HydrophobicContact CD2-CE2 3.47Å; L124-Y207 VanDerWaalsContact CD2-CE2 3.47Å; L124-F213 HydrophobicContact CD1-CD1 3.86Å; L124-F213 HydrophobicContact CD1-CE1 4.04Å; L124-F213 HydrophobicContact CD1-CG 4.33Å |
| 125 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.2 | 172.4 | -179.4 | 68.9 | 0 | 0 | 0 | 109.1 | S45 V47 V53 L92 A100 G101 Y103 L123 | S45-L125 WeakPolarHBondContact O-CA 3.36Å; V47-L125 HydrophobicContact CG2-CD1 4.01Å; V53-L125 HydrophobicContact CG1-CD1 3.99Å; V53-L125 HydrophobicContact CG1-CD2 4.01Å; V53-L125 HydrophobicContact CG2-CD1 4.28Å; L92-L125 HydrophobicContact CD1-CD2 3.9Å; A100-L125 CarbonylContact C-O 3.46Å; A100-L125 VanDerWaalsContact CA-O 3.24Å; A100-L125 WeakPolarHBondContact CA-O 3.43Å; G101-L125 PolarHBondContact N-O 2.84Å; G101-L125 PolarHBondContact O-N 2.79Å; Y103-L125 HydrophobicContact CD2-CB 3.81Å; Y103-L125 HydrophobicContact CE2-CB 3.65Å; Y103-L125 HydrophobicContact CE2-CD2 3.82Å; Y103-L125 HydrophobicContact CE2-CG 4.37Å; L123-L125 HydrophobicContact CD2-CB 4.2Å; L123-L125 PolarHBondContact O-N 2.84Å |
| 126 | L | 97.5 | Very high | 95 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.9 | 176 | -63.8 | 176.6 | 0 | 0 | 0 | 110 | S45 V46 V47 L124 M205 Y207 F213 A215 | S45-L126 PolarHBondContact O-N 3.3Å; V46-L126 HydrophobicContact CG2-CB 4.41Å; V46-L126 HydrophobicContact CG2-CD1 4.27Å; V47-L126 PolarHBondContact N-O 2.82Å; L124-L126 HydrophobicContact CD1-CD2 4.29Å; L124-L126 HydrophobicContact CD2-CD2 4.1Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD2 4.01Å; L124-L126 HydrophobicContact CG-CG 4.23Å; L126-M205 HydrophobicContact CD1-CE 4.07Å; L126-Y207 HydrophobicContact CD1-CD1 3.53Å; L126-Y207 HydrophobicContact CD1-CD2 4.04Å; L126-Y207 HydrophobicContact CD1-CE1 3.89Å; L126-Y207 HydrophobicContact CD1-CE2 4.37Å; L126-Y207 HydrophobicContact CD1-CG 3.62Å; L126-Y207 HydrophobicContact CD2-CD2 3.76Å; L126-Y207 HydrophobicContact CD2-CE2 4.39Å; L126-Y207 HydrophobicContact CD2-CG 3.92Å; L126-Y207 HydrophobicContact CG-CG 4.45Å; L126-F213 HydrophobicContact CD2-CB 4.43Å; L126-A215 HydrophobicContact CB-CB 4.28Å; L126-A215 HydrophobicContact CD2-CB 4.48Å |
| 127 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 108.9 | 172.5 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | V47 A49 L95 N99 A100 | V47-V127 CarbonylContact O-C 3.57Å; V47-V127 VanDerWaalsContact O-CA 3.25Å; V47-V127 WeakPolarHBondContact O-CA 3.16Å; A49-V127 HydrophobicContact CB-CG1 4.1Å; L95-V127 HydrophobicContact CB-CG1 4.33Å; L95-V127 HydrophobicContact CB-CG2 4.35Å; N99-V127 HydrophobicContact CB-CG2 4.25Å; A100-V127 HydrophobicContact CB-CB 4.32Å; A100-V127 HydrophobicContact CB-CG2 4.25Å |
| 128 | T | 95.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 163 | -173.5 | 67.1 | 0 | 0 | 0 | 0 | 112.4 | V46 V47 P48 A49 M205 A215 S216 | V46-T128 HydrophobicContact CG1-CG2 3.62Å; V47-T128 PolarHBondContact O-N 2.75Å; V47-T128 PolarHBondContact O-OG1 2.91Å; P48-T128 VanDerWaalsContact CA-OG1 3.31Å; P48-T128 WeakPolarHBondContact CA-OG1 3.48Å; A49-T128 PolarHBondContact N-O 2.9Å; T128-M205 HydrophobicContact CG2-CE 3.65Å; T128-A215 HydrophobicContact CG2-CB 4.36Å; T128-S216 VanDerWaalsContact CB-O 3.28Å; T128-S216 WeakPolarHBondContact CB-O 3.21Å; T128-S216 VanDerWaalsContact CG2-O 3.3Å; T128-S216 WeakPolarHBondContact CG2-O 3.35Å |
| 129 | G | 90.2 | Very high | 94.8 | Very high | 44 Ų | 44 | 49 Ų | 49 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.2 | 4.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A215 | G129-A215 PolarHBondContact N-O 2.82Å |
| 130 | H | 91.9 | Very high | 94.2 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 39% | 0.394 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -31.2 | 178.9 | -163.4 | 77.4 | 0 | 0 | 0 | 113.5 | V97 W214 A215 | V97-H130 HydrophobicContact CG1-CB 4.29Å; V97-H130 HydrophobicContact CG2-CB 4.28Å; H130-W214 HydrophobicContact CB-CB 4.25Å; H130-W214 HydrophobicContact CB-CG 4.29Å; H130-W214 AromaticContact CD2-CD1 3.65Å; H130-W214 AromaticContact CD2-CD2 3.08Å; H130-W214 AromaticContact CD2-CE2 3.55Å; H130-W214 AromaticContact CD2-CE3 3.41Å; H130-W214 VanDerWaalsContact CD2-CE3 3.41Å; H130-W214 AromaticContact CD2-CG 3.21Å; H130-W214 AromaticContact CD2-NE1 3.79Å; H130-W214 AromaticContact CE1-CE2 3.89Å; H130-W214 AromaticContact CG-CD1 3.86Å; H130-W214 AromaticContact CG-CG 3.8Å; H130-W214 AromaticContact NE2-CD2 3.22Å; H130-W214 AromaticContact NE2-CE2 3.23Å; H130-W214 AromaticContact NE2-CE3 3.41Å; H130-W214 AromaticContact NE2-CG 3.83Å; H130-W214 AromaticContact NE2-CH2 3.76Å; H130-W214 AromaticContact NE2-CZ2 3.53Å; H130-W214 AromaticContact NE2-CZ3 3.69Å; H130-W214 AromaticContact NE2-NE1 3.72Å; H130-A215 PolarHBondContact N-O 2.59Å |
| 131 | L | 93 | Very high | 93.2 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 159.5 | 178 | -53.1 | 171.1 | 0 | 0 | 0 | 110.7 | L160 Y206 W214 A215 S216 | L131-L160 HydrophobicContact CD1-CD1 4.01Å; L131-L160 HydrophobicContact CD2-CD1 4.43Å; L131-L160 HydrophobicContact CD2-CD2 4.32Å; L131-Y206 HydrophobicContact CB-CE2 4.03Å; L131-Y206 HydrophobicContact CD1-CD2 4.06Å; L131-Y206 HydrophobicContact CD1-CE2 3.8Å; L131-W214 HydrophobicContact CD1-CB 4.13Å; L131-W214 WeakPolarHBondContact CD1-O 3.46Å; L131-W214 HydrophobicContact CD2-CB 4.27Å; L131-W214 HydrophobicContact CD2-CE3 4.43Å; L131-W214 HydrophobicContact CG-CB 4.08Å; L131-A215 PolarHBondContact N-O 2.64Å; L131-S216 WeakPolarHBondContact O-CA 3.5Å |
| 132 | S | 93.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | trans | -65.4 | 140.2 | -179.1 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | D158 Y206 S216 | S132-D158 VanDerWaalsContact CB-OD1 3.27Å; S132-D158 WeakPolarHBondContact CB-OD1 3.2Å; S132-D158 WeakPolarHBondContact CB-OD2 3.27Å; S132-D158 PolarHBondContact N-OD2 2.8Å; S132-D158 PolarHBondContact OG-OD1 2.96Å; S132-D158 PolarHBondContact OG-OD2 3.21Å; S132-Y206 VanDerWaalsContact O-CE1 3.29Å; S132-Y206 WeakPolarHBondContact O-CE1 3.28Å; S132-Y206 PolarHBondContact O-OH 3.48Å; S132-S216 WeakPolarHBondContact O-CB 3.15Å | ||
| 133 | K | 95.8 | Very high | 92 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | trans | -60.5 | 135.9 | 175.3 | 73.8 | 178.2 | -174.7 | 172.3 | 0 | 111.8 | E217 D220 | K133-E217 HydrophobicContact CB-CB 4.11Å; K133-D220 IonicContact NZ-OD1 3.68Å; K133-D220 PolarHBondContact NZ-OD1 2.9Å; K133-D220 IonicContact NZ-OD2 2.69Å; K133-D220 PolarHBondContact NZ-OD2 2.96Å | ||
| 134 | P | 96.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | trans | -77 | 177.7 | 174.2 | 33 | -32.7 | 0 | 0 | 0 | 111.1 | Q155 C204 Y206 E217 S219 | P134-Q155 CarbonylContact C-O 3.56Å; P134-Q155 VanDerWaalsContact CA-O 3.28Å; P134-Q155 WeakPolarHBondContact CA-O 3.39Å; P134-Q155 WeakPolarHBondContact CB-O 3.17Å; P134-C204 VanDerWaalsContact CG-O 3.24Å; P134-C204 WeakPolarHBondContact CG-O 3.1Å; P134-Y206 HydrophobicContact CB-CD1 3.92Å; P134-Y206 HydrophobicContact CB-CE1 3.86Å; P134-Y206 HydrophobicContact CG-CD1 3.97Å; P134-Y206 HydrophobicContact CG-CE1 4.13Å; P134-E217 WeakPolarHBondContact CD-O 3.33Å; P134-S219 WeakPolarHBondContact O-CB 3.38Å | ||
| 135 | F | 96.6 | Very high | 91.5 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.9 | 173.5 | -165.4 | -97.5 | 0 | 0 | 0 | 110.3 | R137 C154 Q155 | F135-R137 HydrophobicContact CD1-CG 3.5Å; F135-R137 VanDerWaalsContact CD1-CG 3.5Å; F135-R137 HydrophobicContact CE1-CG 3.2Å; F135-R137 HydrophobicContact CZ-CG 4.42Å; F135-C154 WeakPolarHBondContact O-CA 3.47Å; F135-Q155 PolarHBondContact N-O 2.69Å; F135-Q155 PolarHBondContact O-N 2.69Å |
| 136 | L | 96.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.3 | 176.5 | -174 | 62 | 0 | 0 | 0 | 109.8 | L152 Q153 C154 C204 S219 L222 | L136-L152 HydrophobicContact CD1-CB 4Å; L136-Q153 WeakPolarHBondContact CA-O 3.34Å; L136-C154 HydrophobicContact CD1-CB 4.25Å; L136-C204 HydrophobicContact CD1-CB 4.03Å; L136-S219 WeakPolarHBondContact CB-OG 3.32Å; L136-L222 HydrophobicContact CD2-CB 3.98Å; L136-L222 HydrophobicContact CG-CB 4.49Å; L136-L222 HydrophobicContact CG-CD1 4.42Å |
| 137 | R | 95.1 | Very high | 91.1 | Very high | 125 Ų | 125 | 62.8 Ų | 62.8 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.6 | 175.9 | -72 | 173.7 | -166.5 | -151.1 | -7.9 | 110 | F135 L152 Q153 | F135-R137 HydrophobicContact CD1-CG 3.5Å; F135-R137 VanDerWaalsContact CD1-CG 3.5Å; F135-R137 HydrophobicContact CE1-CG 3.2Å; F135-R137 HydrophobicContact CZ-CG 4.42Å; R137-L152 CarbonylContact O-C 3.54Å; R137-L152 WeakPolarHBondContact O-CA 3.4Å; R137-Q153 HydrophobicContact CB-CB 4.45Å; R137-Q153 PolarHBondContact N-O 3.35Å; R137-Q153 PolarHBondContact O-N 2.83Å |
| 138 | T | 92.5 | Very high | 90.8 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.3 | 160.4 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | Q140 T151 L222 | T138-Q140 WeakPolarHBondContact CG2-O 3.21Å; T138-Q140 PolarHBondContact OG1-N 3.16Å; T138-T151 PolarHBondContact OG1-O 2.02Å; T138-L222 HydrophobicContact CG2-CD1 3.95Å; T138-L222 HydrophobicContact CG2-CD2 4.08Å |
| 139 | Y | 84.2 | Confident | 90.7 | Very high | 136 Ų | 136 | 70.9 Ų | 70.9 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -86.7 | -17 | 170.9 | -60.9 | -70.6 | 0 | 0 | 0 | 112.4 | T151 Q153 | Y139-T151 HydrophobicContact CD2-CG2 4.47Å; Y139-Q153 HydrophobicContact CE2-CB 4.06Å; Y139-Q153 PolarHBondContact OH-NE2 2.75Å; Y139-Q153 PolarHBondContact OH-OE1 3.04Å |
| 140 | Q | 83.1 | Confident | 90.9 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | trans | -78.3 | 132.7 | 179.3 | -58.5 | -62.8 | 5 | 0 | 0 | 110 | T138 V144 R149 V150 | T138-Q140 WeakPolarHBondContact CG2-O 3.21Å; T138-Q140 PolarHBondContact OG1-N 3.16Å; Q140-V144 HydrophobicContact CB-CG2 4.4Å; Q140-R149 PolarHBondContact NE2-O 2.99Å; Q140-V150 HydrophobicContact CG-CG1 4.48Å | ||
| 141 | R | 73.7 | Confident | 91 | Very high | 246 Ų | 246 | 66.2 Ų | 66.2 | 93% | 0.928 | 34% | 0.344 | S | S | * | . | trans | -102.5 | 127.9 | 173.7 | -73.3 | -176.9 | 170.8 | -172.1 | -2.7 | 109.4 | ||||
| 142 | G | 80.3 | Confident | 91.1 | Very high | 66 Ų | 66 | 65.4 Ų | 65.4 | 68% | 0.68 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 79.1 | -143.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 143 | T | 87.9 | Confident | 91.2 | Very high | 74 Ų | 74 | 63.8 Ų | 63.8 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 137.8 | -169.3 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | L225 T227 | T143-L225 HydrophobicContact CG2-CB 3.8Å; T143-L225 WeakPolarHBondContact CG2-O 3.24Å; T143-T227 HydrophobicContact CG2-CG2 3.3Å |
| 144 | V | 91.3 | Very high | 91.2 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.2 | -176.6 | -176.6 | 0 | 0 | 0 | 0 | 109 | Q140 V150 V194 L225 V226 T227 | Q140-V144 HydrophobicContact CB-CG2 4.4Å; V144-V150 HydrophobicContact CB-CG2 4.12Å; V144-V150 HydrophobicContact CG1-CG2 3.82Å; V144-V150 HydrophobicContact CG2-CG2 3.66Å; V144-V194 HydrophobicContact CG1-CG2 3.79Å; V144-L225 PolarHBondContact N-O 3.37Å; V144-V226 CarbonylContact O-C 3.59Å; V144-V226 VanDerWaalsContact O-CA 3.23Å; V144-V226 WeakPolarHBondContact O-CA 3.15Å; V144-T227 PolarHBondContact O-N 2.97Å; V144-T227 PolarHBondContact O-OG1 3.25Å |
| 145 | T | 92.1 | Very high | 91.1 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 146.1 | 175.4 | 47.7 | 0 | 0 | 0 | 0 | 111.2 | G148 V194 T227 | T145-G148 WeakPolarHBondContact O-CA 3.28Å; T145-G148 PolarHBondContact O-N 3.45Å; T145-V194 WeakPolarHBondContact O-CG2 3.39Å; T145-T227 CarbonylContact C-O 3.51Å; T145-T227 WeakPolarHBondContact CA-O 3.25Å |
| 146 | A | 93.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 26% | 0.256 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 140 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V194 V226 T227 V228 | A146-V194 CarbonylContact C-O 3.58Å; A146-V194 WeakPolarHBondContact CA-O 3.45Å; A146-V226 HydrophobicContact CB-CG1 4.26Å; A146-T227 PolarHBondContact N-O 2.61Å; A146-V228 HydrophobicContact CB-CG2 4.28Å |
| 147 | G | 91.8 | Very high | 90.6 | Very high | 45 Ų | 45 | 67.7 Ų | 67.7 | 46% | 0.464 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -3.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D193 V194 | G147-D193 WeakPolarHBondContact CA-OD1 3.46Å; G147-V194 PolarHBondContact N-O 2.91Å |
| 148 | G | 91.1 | Very high | 90 | Very high | 19 Ų | 19 | 63.5 Ų | 63.5 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | trans | -75.2 | -174.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | T145 D193 V194 | T145-G148 WeakPolarHBondContact O-CA 3.28Å; T145-G148 PolarHBondContact O-N 3.45Å; G148-D193 PolarHBondContact O-N 2.83Å; G148-V194 PolarHBondContact O-N 2.9Å | ||
| 149 | R | 93.4 | Very high | 89.6 | Confident | 157 Ų | 157 | 67 Ų | 67 | 59% | 0.592 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.1 | 176.8 | -179.2 | -175.1 | -63 | -176.1 | -0.5 | 111.1 | Q140 L191 V192 | Q140-R149 PolarHBondContact NE2-O 2.99Å; R149-L191 CarbonylContact C-O 3.56Å; R149-L191 VanDerWaalsContact CA-O 3.31Å; R149-L191 WeakPolarHBondContact CA-O 3.46Å; R149-V192 HydrophobicContact CG-CG1 4.17Å |
| 150 | V | 93.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.5 | 171.3 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | Q140 V144 L152 S190 L191 V194 I224 | Q140-V150 HydrophobicContact CG-CG1 4.48Å; V144-V150 HydrophobicContact CB-CG2 4.12Å; V144-V150 HydrophobicContact CG1-CG2 3.82Å; V144-V150 HydrophobicContact CG2-CG2 3.66Å; V150-L152 HydrophobicContact CG1-CD2 4.03Å; V150-L152 HydrophobicContact CG1-CG 4.23Å; V150-S190 CarbonylContact O-C 3.45Å; V150-S190 WeakPolarHBondContact O-CA 3.29Å; V150-L191 HydrophobicContact CB-CB 4.31Å; V150-L191 PolarHBondContact N-O 2.81Å; V150-L191 PolarHBondContact O-N 3Å; V150-V194 HydrophobicContact CG2-CG1 4.12Å; V150-I224 HydrophobicContact CG1-CD1 3.97Å; V150-I224 HydrophobicContact CG2-CG2 4.28Å |
| 151 | T | 95.1 | Very high | 89.5 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.3 | 173.5 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | T138 Y139 D188 F189 S190 | T138-T151 PolarHBondContact OG1-O 2.02Å; Y139-T151 HydrophobicContact CD2-CG2 4.47Å; T151-D188 HydrophobicContact CG2-CB 3.87Å; T151-F189 CarbonylContact C-O 3.54Å; T151-F189 WeakPolarHBondContact CA-O 3.34Å; T151-S190 PolarHBondContact OG1-OG 2.87Å |
| 152 | L | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.2 | -176.9 | -60.6 | 173.4 | 0 | 0 | 0 | 108.8 | L136 R137 V150 L168 D188 F189 Y202 L222 I224 | L136-L152 HydrophobicContact CD1-CB 4Å; R137-L152 CarbonylContact O-C 3.54Å; R137-L152 WeakPolarHBondContact O-CA 3.4Å; V150-L152 HydrophobicContact CG1-CD2 4.03Å; V150-L152 HydrophobicContact CG1-CG 4.23Å; L152-L168 HydrophobicContact CD1-CD1 3.74Å; L152-L168 HydrophobicContact CD1-CD2 3.94Å; L152-L168 HydrophobicContact CD1-CG 4.49Å; L152-D188 WeakPolarHBondContact O-CA 3.49Å; L152-F189 HydrophobicContact CB-CB 4.41Å; L152-F189 PolarHBondContact N-O 2.93Å; L152-F189 PolarHBondContact O-N 2.95Å; L152-Y202 HydrophobicContact CD1-CD1 4.15Å; L152-Y202 HydrophobicContact CD1-CG 4.32Å; L152-L222 HydrophobicContact CD2-CD2 3.96Å; L152-I224 HydrophobicContact CD1-CD1 4Å; L152-I224 HydrophobicContact CD2-CD1 4.13Å; L152-I224 HydrophobicContact CG-CD1 4.47Å |
| 153 | Q | 95.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 120.9 | 177.6 | -178.9 | 170.6 | 80.3 | 0 | 0 | 109.9 | L136 R137 Y139 E186 I187 D188 | L136-Q153 WeakPolarHBondContact CA-O 3.34Å; R137-Q153 HydrophobicContact CB-CB 4.45Å; R137-Q153 PolarHBondContact N-O 3.35Å; R137-Q153 PolarHBondContact O-N 2.83Å; Y139-Q153 HydrophobicContact CE2-CB 4.06Å; Y139-Q153 PolarHBondContact OH-NE2 2.75Å; Y139-Q153 PolarHBondContact OH-OE1 3.04Å; Q153-E186 HydrophobicContact CG-CB 4.35Å; Q153-I187 WeakPolarHBondContact CA-O 3.31Å; Q153-D188 VanDerWaalsContact CB-OD1 3.25Å; Q153-D188 WeakPolarHBondContact CB-OD1 3.36Å; Q153-D188 VanDerWaalsContact CG-OD1 3.27Å; Q153-D188 WeakPolarHBondContact CG-OD1 3.46Å; Q153-D188 PolarHBondContact NE2-OD1 3.36Å |
| 154 | C | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.7 | 173.7 | -173 | 0 | 0 | 0 | 0 | 110.3 | F135 L136 F166 E186 I187 F189 C204 | F135-C154 WeakPolarHBondContact O-CA 3.47Å; L136-C154 HydrophobicContact CD1-CB 4.25Å; C154-F166 HydrophobicContact CB-CD1 4.08Å; C154-F166 HydrophobicContact CB-CE1 4.31Å; C154-F166 WeakPolarHBondContact SG-CD1 3.43Å; C154-E186 CarbonylContact O-C 3.56Å; C154-E186 WeakPolarHBondContact O-CA 3.31Å; C154-I187 HydrophobicContact CB-CG2 4.29Å; C154-I187 PolarHBondContact N-O 2.85Å; C154-I187 PolarHBondContact O-N 2.84Å; C154-F189 HydrophobicContact CB-CD2 4.36Å; C154-F189 HydrophobicContact CB-CE2 4.02Å; C154-C204 HydrophobicContact CB-CB 3.62Å; C154-C204 WeakPolarHBondContact CB-SG 3.22Å; C154-C204 WeakPolarHBondContact SG-CB 3.27Å; C154-C204 CovalentContact SG-SG 2.02Å; C154-C204 PolarHBondContact SG-SG 3.49Å |
| 155 | Q | 94.6 | Very high | 91.1 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.2 | -177.4 | -174.5 | 178.7 | 53.7 | 0 | 0 | 111.1 | P134 F135 E186 | P134-Q155 CarbonylContact C-O 3.56Å; P134-Q155 VanDerWaalsContact CA-O 3.28Å; P134-Q155 WeakPolarHBondContact CA-O 3.39Å; P134-Q155 WeakPolarHBondContact CB-O 3.17Å; F135-Q155 PolarHBondContact N-O 2.69Å; F135-Q155 PolarHBondContact O-N 2.69Å; Q155-E186 HydrophobicContact CB-CB 4.04Å; Q155-E186 HydrophobicContact CG-CB 4.09Å; Q155-E186 PolarHBondContact NE2-OE2 3.47Å |
| 156 | K | 92.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 8% | 0.078 | 28% | 0.275 | C | S | . | . | trans | -85.1 | 148.9 | 176.1 | 73.9 | -167.4 | 177.1 | 90.6 | 0 | 111.5 | D158 I164 F166 K185 Y206 | K156-D158 PolarHBondContact NZ-O 2.78Å; K156-I164 HydrophobicContact CD-CD1 3.36Å; K156-F166 HydrophobicContact CB-CE1 4.16Å; K156-F166 HydrophobicContact CB-CZ 3.82Å; K156-F166 HydrophobicContact CD-CE2 4.24Å; K156-F166 HydrophobicContact CD-CZ 3.84Å; K156-F166 HydrophobicContact CG-CZ 4.04Å; K156-K185 PolarHBondContact N-O 2.66Å; K156-Y206 HydrophobicContact CB-CD1 3.8Å; K156-Y206 HydrophobicContact CB-CD2 4.5Å; K156-Y206 HydrophobicContact CB-CE1 3.52Å; K156-Y206 HydrophobicContact CB-CE2 4.26Å; K156-Y206 HydrophobicContact CB-CG 4.27Å | ||
| 157 | R | 88.7 | Confident | 91.4 | Very high | 151 Ų | 151 | 52.2 Ų | 52.2 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | trans | -87.8 | -38 | 173.5 | -65.8 | -173.8 | 179.4 | 135.3 | -3.4 | 112.4 | ||||
| 158 | D | 82.9 | Confident | 91.7 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -72.8 | 136.9 | -172.9 | -59.5 | -34 | 0 | 0 | 0 | 112.2 | S132 K156 L160 Y206 | S132-D158 VanDerWaalsContact CB-OD1 3.27Å; S132-D158 WeakPolarHBondContact CB-OD1 3.2Å; S132-D158 WeakPolarHBondContact CB-OD2 3.27Å; S132-D158 PolarHBondContact N-OD2 2.8Å; S132-D158 PolarHBondContact OG-OD1 2.96Å; S132-D158 PolarHBondContact OG-OD2 3.21Å; K156-D158 PolarHBondContact NZ-O 2.78Å; D158-L160 HydrophobicContact CB-CD1 4.44Å; D158-L160 HydrophobicContact CB-CG 4.05Å; D158-L160 PolarHBondContact O-N 3.25Å; D158-L160 VanDerWaalsContact O-N 3.15Å; D158-Y206 PolarHBondContact OD2-OH 2.74Å |
| 159 | Q | 83.6 | Confident | 92 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | trans | -86.3 | 80.3 | 170 | -169.3 | 140.2 | -18.7 | 0 | 0 | 110.1 | F161 | Q159-F161 HydrophobicContact CG-CE1 4.44Å; Q159-F161 HydrophobicContact CG-CE2 4.11Å; Q159-F161 HydrophobicContact CG-CZ 3.88Å | ||
| 160 | L | 83 | Confident | 92.2 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | trans | -86.1 | 131 | 174.1 | -65.2 | 170.4 | 0 | 0 | 0 | 110.9 | L131 D158 V162 I164 Y206 | L131-L160 HydrophobicContact CD1-CD1 4.01Å; L131-L160 HydrophobicContact CD2-CD1 4.43Å; L131-L160 HydrophobicContact CD2-CD2 4.32Å; D158-L160 HydrophobicContact CB-CD1 4.44Å; D158-L160 HydrophobicContact CB-CG 4.05Å; D158-L160 PolarHBondContact O-N 3.25Å; D158-L160 VanDerWaalsContact O-N 3.15Å; L160-V162 HydrophobicContact CB-CG2 4.2Å; L160-I164 HydrophobicContact CB-CG2 4.44Å; L160-I164 HydrophobicContact CD1-CG2 3.85Å; L160-Y206 HydrophobicContact CD1-CD2 4.03Å; L160-Y206 HydrophobicContact CD1-CE2 3.63Å | ||
| 161 | F | 83.3 | Confident | 92.3 | Very high | 183 Ų | 183 | 47.1 Ų | 47.1 | 80% | 0.803 | 24% | 0.238 | S | C | * | . | trans | -99.6 | 16.1 | 173.9 | -61 | -80.1 | 0 | 0 | 0 | 112.8 | Q159 | Q159-F161 HydrophobicContact CG-CE1 4.44Å; Q159-F161 HydrophobicContact CG-CE2 4.11Å; Q159-F161 HydrophobicContact CG-CZ 3.88Å | ||
| 162 | V | 87.6 | Confident | 92.2 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -108.9 | 154.6 | 177.9 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | L160 I164 Q208 | L160-V162 HydrophobicContact CB-CG2 4.2Å; V162-I164 HydrophobicContact CG2-CG2 4.3Å; V162-I164 PolarHBondContact O-N 2.73Å; V162-Q208 HydrophobicContact CG2-CG 3.85Å |
| 163 | P | 90.8 | Very high | 92.1 | Very high | 90 Ų | 90 | 52.1 Ų | 52.1 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | trans | -59.4 | 126.8 | 172.7 | -23.7 | 34.8 | 0 | 0 | 0 | 111.1 | T209 | P163-T209 PolarHBondContact O-N 3.25Š| ||
| 164 | I | 92.9 | Very high | 92 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 160 | 178.6 | 59.7 | 165.3 | 0 | 0 | 0 | 110.4 | K156 L160 V162 F166 P182 Y206 Y207 | K156-I164 HydrophobicContact CD-CD1 3.36Å; L160-I164 HydrophobicContact CB-CG2 4.44Å; L160-I164 HydrophobicContact CD1-CG2 3.85Å; V162-I164 HydrophobicContact CG2-CG2 4.3Å; V162-I164 PolarHBondContact O-N 2.73Å; I164-F166 HydrophobicContact CD1-CD2 4.43Å; I164-F166 HydrophobicContact CD1-CE2 3.84Å; I164-F166 HydrophobicContact CD1-CZ 4.45Å; I164-P182 HydrophobicContact CD1-CG 3.92Å; I164-P182 HydrophobicContact CG1-CG 3.66Å; I164-P182 WeakPolarHBondContact O-CD 3.28Å; I164-Y206 HydrophobicContact CD1-CD2 4.41Å; I164-Y207 CarbonylContact C-O 3.55Å; I164-Y207 WeakPolarHBondContact CA-O 3.37Å; I164-Y207 WeakPolarHBondContact CB-O 3.17Å |
| 165 | M | 95.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143 | 168.1 | -75.9 | -74.1 | -65.3 | 0 | 0 | 108.8 | L179 Q180 S181 Y206 Y207 T209 | M165-L179 HydrophobicContact CE-CB 3.8Å; M165-Q180 VanDerWaalsContact CE-C 3.47Å; M165-Q180 VanDerWaalsContact SD-C 3.56Å; M165-S181 WeakPolarHBondContact SD-CA 3.49Å; M165-S181 VanDerWaalsContact SD-CB 3.58Å; M165-S181 PolarHBondContact SD-N 2.85Å; M165-S181 VanDerWaalsContact SD-N 3.36Å; M165-Y206 CarbonylContact O-C 3.51Å; M165-Y206 WeakPolarHBondContact O-CA 3.17Å; M165-Y206 WeakPolarHBondContact O-CB 3.45Å; M165-Y207 HydrophobicContact CB-CD1 4.33Å; M165-Y207 HydrophobicContact CB-CE1 3.69Å; M165-Y207 HydrophobicContact CB-CE2 4.05Å; M165-Y207 PolarHBondContact N-O 3.29Å; M165-Y207 PolarHBondContact O-N 3.3Å; M165-T209 HydrophobicContact CB-CG2 4Å; M165-T209 HydrophobicContact CG-CG2 3.22Å |
| 166 | F | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 144.9 | 166.3 | -77.9 | -95.9 | 0 | 0 | 0 | 109.6 | C154 K156 I164 L179 Q180 P182 I187 F189 M205 Y206 | C154-F166 HydrophobicContact CB-CD1 4.08Å; C154-F166 HydrophobicContact CB-CE1 4.31Å; C154-F166 WeakPolarHBondContact SG-CD1 3.43Å; K156-F166 HydrophobicContact CB-CE1 4.16Å; K156-F166 HydrophobicContact CB-CZ 3.82Å; K156-F166 HydrophobicContact CD-CE2 4.24Å; K156-F166 HydrophobicContact CD-CZ 3.84Å; K156-F166 HydrophobicContact CG-CZ 4.04Å; I164-F166 HydrophobicContact CD1-CD2 4.43Å; I164-F166 HydrophobicContact CD1-CE2 3.84Å; I164-F166 HydrophobicContact CD1-CZ 4.45Å; F166-L179 WeakPolarHBondContact O-CA 3.28Å; F166-Q180 PolarHBondContact N-O 3.24Å; F166-Q180 PolarHBondContact O-N 2.87Å; F166-P182 HydrophobicContact CD2-CB 3.73Å; F166-P182 HydrophobicContact CD2-CG 3.76Å; F166-P182 HydrophobicContact CE2-CB 3.57Å; F166-P182 HydrophobicContact CE2-CG 3.69Å; F166-I187 HydrophobicContact CB-CG2 3.64Å; F166-I187 HydrophobicContact CD1-CG2 3.9Å; F166-I187 HydrophobicContact CD2-CB 4.48Å; F166-I187 HydrophobicContact CD2-CG2 3.8Å; F166-I187 HydrophobicContact CE1-CG2 4.44Å; F166-I187 HydrophobicContact CE2-CG2 4.37Å; F166-I187 HydrophobicContact CG-CG2 3.52Å; F166-F189 HydrophobicContact CB-CE2 4.08Å; F166-F189 HydrophobicContact CB-CZ 3.66Å; F166-M205 WeakPolarHBondContact CA-O 3.17Å; F166-Y206 HydrophobicContact CE1-CD1 4.25Å; F166-Y206 HydrophobicContact CE1-CG 4.44Å |
| 167 | A | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L169 P176 Q178 L179 C204 M205 Y207 | A167-L169 HydrophobicContact CB-CD2 4.35Å; A167-P176 HydrophobicContact CB-CB 3.99Å; A167-P176 HydrophobicContact CB-CG 4.09Å; A167-Q178 WeakPolarHBondContact CA-O 3.48Å; A167-L179 HydrophobicContact CB-CD2 3.58Å; A167-C204 VanDerWaalsContact O-CA 3.3Å; A167-C204 WeakPolarHBondContact O-CA 3.41Å; A167-M205 HydrophobicContact CB-CG 3.78Å; A167-M205 PolarHBondContact N-O 3.5Å; A167-M205 PolarHBondContact O-N 2.85Å; A167-Y207 HydrophobicContact CB-CE1 4.26Å |
| 168 | L | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.1 | 166.9 | -173.8 | 69.4 | 0 | 0 | 0 | 108.8 | L152 P176 I177 Q178 F189 L191 Y202 | L152-L168 HydrophobicContact CD1-CD1 3.74Å; L152-L168 HydrophobicContact CD1-CD2 3.94Å; L152-L168 HydrophobicContact CD1-CG 4.49Å; L168-P176 WeakPolarHBondContact O-CA 3.34Å; L168-I177 HydrophobicContact CB-CG1 4.15Å; L168-I177 HydrophobicContact CD2-CD1 3.6Å; L168-I177 HydrophobicContact CD2-CG1 4.05Å; L168-I177 HydrophobicContact CG-CD1 3.92Å; L168-I177 HydrophobicContact CG-CG1 4Å; L168-I177 VanDerWaalsContact O-CG1 3.26Å; L168-I177 WeakPolarHBondContact O-CG1 2.96Å; L168-I177 PolarHBondContact O-N 2.87Å; L168-Q178 HydrophobicContact CB-CB 4.18Å; L168-Q178 PolarHBondContact N-O 2.86Å; L168-F189 HydrophobicContact CB-CB 4.46Å; L168-F189 HydrophobicContact CB-CD1 3.88Å; L168-F189 HydrophobicContact CB-CD2 4.07Å; L168-F189 HydrophobicContact CB-CE1 4.04Å; L168-F189 HydrophobicContact CB-CE2 4.22Å; L168-F189 HydrophobicContact CB-CG 3.87Å; L168-F189 HydrophobicContact CB-CZ 4.2Å; L168-F189 HydrophobicContact CD1-CD2 4.28Å; L168-F189 HydrophobicContact CD1-CG 4.47Å; L168-F189 HydrophobicContact CD2-CB 3.84Å; L168-F189 HydrophobicContact CD2-CG 4.19Å; L168-F189 HydrophobicContact CG-CG 4.4Å; L168-L191 HydrophobicContact CD2-CD2 4.29Å; L168-Y202 HydrophobicContact CD1-CD1 4.39Å; L168-Y202 HydrophobicContact CD2-CD1 4.18Å; L168-Y202 HydrophobicContact CG-CD1 4.29Å |
| 169 | L | 97.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 143.2 | -178.6 | -50.2 | 179.3 | 0 | 0 | 0 | 109.1 | V46 A167 P176 Y202 S203 M205 P218 | V46-L169 HydrophobicContact CG1-CD1 4.48Å; V46-L169 HydrophobicContact CG2-CD2 4.37Å; A167-L169 HydrophobicContact CB-CD2 4.35Å; L169-P176 HydrophobicContact CD2-CB 3.97Å; L169-P176 HydrophobicContact CD2-CG 3.79Å; L169-Y202 WeakPolarHBondContact O-CA 3.34Å; L169-S203 PolarHBondContact N-O 2.88Å; L169-S203 PolarHBondContact O-N 2.85Å; L169-M205 HydrophobicContact CD1-CG 4.1Å; L169-M205 HydrophobicContact CD1-SD 3.88Å; L169-M205 HydrophobicContact CD2-SD 4.28Å; L169-M205 HydrophobicContact CG-CG 4.4Å; L169-M205 HydrophobicContact CG-SD 4.48Å; L169-P218 HydrophobicContact CD1-CB 4.21Å; L169-P218 HydrophobicContact CD1-CG 4.06Å |
| 170 | K | 97.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 17% | 0.165 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.9 | 169.8 | -174.8 | -179.3 | -176.5 | 174.1 | 0 | 109.3 | G172 T173 I177 G197 Y202 | K170-G172 PolarHBondContact O-N 2.81Å; K170-T173 HydrophobicContact CB-CG2 4.02Å; K170-T173 HydrophobicContact CD-CG2 4.22Å; K170-T173 HydrophobicContact CG-CG2 4.36Å; K170-T173 PolarHBondContact O-N 3.3Å; K170-T173 VanDerWaalsContact O-N 3.16Å; K170-T173 PolarHBondContact O-OG1 3.23Å; K170-I177 HydrophobicContact CB-CD1 4.13Å; K170-I177 HydrophobicContact CB-CG2 4.09Å; K170-G197 PolarHBondContact NZ-O 2.6Å; K170-Y202 HydrophobicContact CB-CD1 4.33Å; K170-Y202 HydrophobicContact CB-CE1 4.12Å; K170-Y202 HydrophobicContact CD-CE1 4.16Å; K170-Y202 HydrophobicContact CD-CE2 4.43Å; K170-Y202 WeakPolarHBondContact CD-OH 3.29Å; K170-Y202 WeakPolarHBondContact CE-OH 3.18Å; K170-Y202 HydrophobicContact CG-CE1 4.1Å; K170-Y202 HydrophobicContact CG-CE2 4.28Å; K170-Y202 PolarHBondContact NZ-OH 2.9Å |
| 171 | A | 95.3 | Very high | 93.8 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 135.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T173 N201 | A171-T173 VanDerWaalsContact C-N 3.31Å; A171-T173 PolarHBondContact O-N 3.01Å; A171-N201 HydrophobicContact CB-CB 3.99Å; A171-N201 PolarHBondContact N-O 2.99Å |
| 172 | G | 92.8 | Very high | 93.6 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 89% | 0.887 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | K170 | K170-G172 PolarHBondContact O-N 2.81Š|
| 173 | T | 94.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | trans | -94.5 | 134.7 | 171.2 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | K170 A171 S175 I177 | K170-T173 HydrophobicContact CB-CG2 4.02Å; K170-T173 HydrophobicContact CD-CG2 4.22Å; K170-T173 HydrophobicContact CG-CG2 4.36Å; K170-T173 PolarHBondContact O-N 3.3Å; K170-T173 VanDerWaalsContact O-N 3.16Å; K170-T173 PolarHBondContact O-OG1 3.23Å; A171-T173 VanDerWaalsContact C-N 3.31Å; A171-T173 PolarHBondContact O-N 3.01Å; T173-S175 VanDerWaalsContact C-N 3.27Å; T173-S175 PolarHBondContact O-N 2.96Å; T173-S175 PolarHBondContact OG1-O 2.87Å; T173-I177 HydrophobicContact CG2-CG2 4.11Å | ||
| 174 | P | 92.3 | Very high | 92 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -76.9 | -9.3 | -175.4 | 31.2 | -36.7 | 0 | 0 | 0 | 114 | P43 S44 S45 | P43-P174 WeakPolarHBondContact O-CB 3.27Å; S44-P174 CarbonylContact C-O 3.56Å; S44-P174 WeakPolarHBondContact CA-O 3.47Å; S44-P174 PolarHBondContact OG-O 2.96Å; S45-P174 PolarHBondContact N-O 2.85Å |
| 175 | S | 93.3 | Very high | 91.8 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 44% | 0.441 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -143.4 | 159.8 | -178.8 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | T173 I177 | T173-S175 VanDerWaalsContact C-N 3.27Å; T173-S175 PolarHBondContact O-N 2.96Å; T173-S175 PolarHBondContact OG1-O 2.87Å; S175-I177 PolarHBondContact O-N 2.98Å |
| 176 | P | 96.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 54.4 Ų | 54.4 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | trans | -52.7 | 138 | 172.2 | -26.4 | 35.3 | 0 | 0 | 0 | 112.3 | V46 A167 L168 L169 L179 | V46-P176 HydrophobicContact CG2-CG 4.11Å; A167-P176 HydrophobicContact CB-CB 3.99Å; A167-P176 HydrophobicContact CB-CG 4.09Å; L168-P176 WeakPolarHBondContact O-CA 3.34Å; L169-P176 HydrophobicContact CD2-CB 3.97Å; L169-P176 HydrophobicContact CD2-CG 3.79Å; P176-L179 HydrophobicContact CB-CD2 3.77Å; P176-L179 HydrophobicContact CB-CG 4.17Å; P176-L179 HydrophobicContact CG-CD2 4.11Å | ||
| 177 | I | 96.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 32% | 0.323 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -86.9 | -25.3 | -179.8 | 55.2 | 160.4 | 0 | 0 | 0 | 112.5 | L168 K170 T173 S175 L191 Y202 | L168-I177 HydrophobicContact CB-CG1 4.15Å; L168-I177 HydrophobicContact CD2-CD1 3.6Å; L168-I177 HydrophobicContact CD2-CG1 4.05Å; L168-I177 HydrophobicContact CG-CD1 3.92Å; L168-I177 HydrophobicContact CG-CG1 4Å; L168-I177 VanDerWaalsContact O-CG1 3.26Å; L168-I177 WeakPolarHBondContact O-CG1 2.96Å; L168-I177 PolarHBondContact O-N 2.87Å; K170-I177 HydrophobicContact CB-CD1 4.13Å; K170-I177 HydrophobicContact CB-CG2 4.09Å; T173-I177 HydrophobicContact CG2-CG2 4.11Å; S175-I177 PolarHBondContact O-N 2.98Å; I177-L191 HydrophobicContact CD1-CD2 4.39Å; I177-Y202 HydrophobicContact CD1-CD1 3.96Å; I177-Y202 HydrophobicContact CD1-CE1 3.51Å |
| 178 | Q | 96.6 | Very high | 91.4 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 23% | 0.234 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142.1 | 171.6 | -63.6 | -169.6 | 13 | 0 | 0 | 109.6 | A167 L168 F189 S190 | A167-Q178 WeakPolarHBondContact CA-O 3.48Å; L168-Q178 HydrophobicContact CB-CB 4.18Å; L168-Q178 PolarHBondContact N-O 2.86Å; Q178-F189 HydrophobicContact CB-CD1 3.71Å; Q178-F189 HydrophobicContact CB-CE1 3.97Å; Q178-S190 PolarHBondContact NE2-O 2.98Å |
| 179 | L | 95.4 | Very high | 91.3 | Very high | 87 Ų | 87 | 58.7 Ų | 58.7 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128 | 176.1 | -68.9 | 174.8 | 0 | 0 | 0 | 108 | M165 F166 A167 P176 Y207 | M165-L179 HydrophobicContact CE-CB 3.8Å; F166-L179 WeakPolarHBondContact O-CA 3.28Å; A167-L179 HydrophobicContact CB-CD2 3.58Å; P176-L179 HydrophobicContact CB-CD2 3.77Å; P176-L179 HydrophobicContact CB-CG 4.17Å; P176-L179 HydrophobicContact CG-CD2 4.11Å; L179-Y207 HydrophobicContact CD2-CE1 4.13Å |
| 180 | Q | 94.4 | Very high | 91.2 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 31% | 0.308 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 142.6 | 178.9 | -63.7 | -173.1 | 31.8 | 0 | 0 | 111.9 | M165 F166 I187 F189 | M165-Q180 VanDerWaalsContact CE-C 3.47Å; M165-Q180 VanDerWaalsContact SD-C 3.56Å; F166-Q180 PolarHBondContact N-O 3.24Å; F166-Q180 PolarHBondContact O-N 2.87Å; Q180-I187 HydrophobicContact CB-CD1 3.37Å; Q180-I187 HydrophobicContact CB-CG1 4.42Å; Q180-I187 HydrophobicContact CG-CD1 4.39Å; Q180-F189 HydrophobicContact CB-CE1 4.03Å; Q180-F189 HydrophobicContact CG-CD1 4.22Å; Q180-F189 HydrophobicContact CG-CE1 3.86Å |
| 181 | S | 87.1 | Confident | 91.1 | Very high | 84 Ų | 84 | 58.8 Ų | 58.8 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | trans | -83.8 | 131.6 | 173.2 | 55 | 0 | 0 | 0 | 0 | 109.7 | M165 | M165-S181 WeakPolarHBondContact SD-CA 3.49Å; M165-S181 VanDerWaalsContact SD-CB 3.58Å; M165-S181 PolarHBondContact SD-N 2.85Å; M165-S181 VanDerWaalsContact SD-N 3.36Å | ||
| 182 | P | 78.8 | Confident | 91 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 21% | 0.214 | 38% | 0.384 | C | S | . | . | trans | -75.9 | 149.2 | 179.9 | 32.4 | -33.1 | 0 | 0 | 0 | 112.6 | I164 F166 | I164-P182 HydrophobicContact CD1-CG 3.92Å; I164-P182 HydrophobicContact CG1-CG 3.66Å; I164-P182 WeakPolarHBondContact O-CD 3.28Å; F166-P182 HydrophobicContact CD2-CB 3.73Å; F166-P182 HydrophobicContact CD2-CG 3.76Å; F166-P182 HydrophobicContact CE2-CB 3.57Å; F166-P182 HydrophobicContact CE2-CG 3.69Å | ||
| 183 | A | 65.8 | Low | 91 | Very high | 119 Ų | 119 | 62.4 Ų | 62.4 | 98% | 0.983 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -85.2 | -14.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 184 | G | 80 | Confident | 91 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -159.6 | -142.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 185 | K | 87.7 | Confident | 91 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -83.1 | -13 | 178.8 | -70.1 | -172.9 | 177 | -173.8 | 0 | 113.8 | K156 | K156-K185 PolarHBondContact N-O 2.66Š|
| 186 | E | 91.9 | Very high | 91 | Very high | 86 Ų | 86 | 60.3 Ų | 60.3 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 160.7 | -178.2 | 61.3 | -161.1 | -154.8 | 0 | 0 | 111.2 | Q153 C154 Q155 | Q153-E186 HydrophobicContact CG-CB 4.35Å; C154-E186 CarbonylContact O-C 3.56Å; C154-E186 WeakPolarHBondContact O-CA 3.31Å; Q155-E186 HydrophobicContact CB-CB 4.04Å; Q155-E186 HydrophobicContact CG-CB 4.09Å; Q155-E186 PolarHBondContact NE2-OE2 3.47Å |
| 187 | I | 94.1 | Very high | 90.8 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 149.1 | 176.8 | -168.1 | 156.5 | 0 | 0 | 0 | 110.7 | Q153 C154 F166 Q180 F189 | Q153-I187 WeakPolarHBondContact CA-O 3.31Å; C154-I187 HydrophobicContact CB-CG2 4.29Å; C154-I187 PolarHBondContact N-O 2.85Å; C154-I187 PolarHBondContact O-N 2.84Å; F166-I187 HydrophobicContact CB-CG2 3.64Å; F166-I187 HydrophobicContact CD1-CG2 3.9Å; F166-I187 HydrophobicContact CD2-CB 4.48Å; F166-I187 HydrophobicContact CD2-CG2 3.8Å; F166-I187 HydrophobicContact CE1-CG2 4.44Å; F166-I187 HydrophobicContact CE2-CG2 4.37Å; F166-I187 HydrophobicContact CG-CG2 3.52Å; Q180-I187 HydrophobicContact CB-CD1 3.37Å; Q180-I187 HydrophobicContact CB-CG1 4.42Å; Q180-I187 HydrophobicContact CG-CD1 4.39Å; I187-F189 HydrophobicContact CG2-CD2 4.39Å; I187-F189 HydrophobicContact CG2-CE2 3.76Å; I187-F189 HydrophobicContact CG2-CZ 4.12Å |
| 188 | D | 94.9 | Very high | 90.7 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.9 | 178.4 | -69.2 | -10.4 | 0 | 0 | 0 | 110.7 | T151 L152 Q153 | T151-D188 HydrophobicContact CG2-CB 3.87Å; L152-D188 WeakPolarHBondContact O-CA 3.49Å; Q153-D188 VanDerWaalsContact CB-OD1 3.25Å; Q153-D188 WeakPolarHBondContact CB-OD1 3.36Å; Q153-D188 VanDerWaalsContact CG-OD1 3.27Å; Q153-D188 WeakPolarHBondContact CG-OD1 3.46Å; Q153-D188 PolarHBondContact NE2-OD1 3.36Å |
| 189 | F | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.1 | 167.4 | -63.9 | -80.5 | 0 | 0 | 0 | 109.5 | T151 L152 C154 F166 L168 Q178 Q180 I187 | T151-F189 CarbonylContact C-O 3.54Å; T151-F189 WeakPolarHBondContact CA-O 3.34Å; L152-F189 HydrophobicContact CB-CB 4.41Å; L152-F189 PolarHBondContact N-O 2.93Å; L152-F189 PolarHBondContact O-N 2.95Å; C154-F189 HydrophobicContact CB-CD2 4.36Å; C154-F189 HydrophobicContact CB-CE2 4.02Å; F166-F189 HydrophobicContact CB-CE2 4.08Å; F166-F189 HydrophobicContact CB-CZ 3.66Å; L168-F189 HydrophobicContact CB-CB 4.46Å; L168-F189 HydrophobicContact CB-CD1 3.88Å; L168-F189 HydrophobicContact CB-CD2 4.07Å; L168-F189 HydrophobicContact CB-CE1 4.04Å; L168-F189 HydrophobicContact CB-CE2 4.22Å; L168-F189 HydrophobicContact CB-CG 3.87Å; L168-F189 HydrophobicContact CB-CZ 4.2Å; L168-F189 HydrophobicContact CD1-CD2 4.28Å; L168-F189 HydrophobicContact CD1-CG 4.47Å; L168-F189 HydrophobicContact CD2-CB 3.84Å; L168-F189 HydrophobicContact CD2-CG 4.19Å; L168-F189 HydrophobicContact CG-CG 4.4Å; Q178-F189 HydrophobicContact CB-CD1 3.71Å; Q178-F189 HydrophobicContact CB-CE1 3.97Å; Q180-F189 HydrophobicContact CB-CE1 4.03Å; Q180-F189 HydrophobicContact CG-CD1 4.22Å; Q180-F189 HydrophobicContact CG-CE1 3.86Å; I187-F189 HydrophobicContact CG2-CD2 4.39Å; I187-F189 HydrophobicContact CG2-CE2 3.76Å; I187-F189 HydrophobicContact CG2-CZ 4.12Å |
| 190 | S | 94.9 | Very high | 90.6 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.1 | 178.6 | -67.8 | 0 | 0 | 0 | 0 | 110.9 | V150 T151 Q178 | V150-S190 CarbonylContact O-C 3.45Å; V150-S190 WeakPolarHBondContact O-CA 3.29Å; T151-S190 PolarHBondContact OG1-OG 2.87Å; Q178-S190 PolarHBondContact NE2-O 2.98Å |
| 191 | L | 94.5 | Very high | 90.7 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.6 | 165.3 | -53 | 176.9 | 0 | 0 | 0 | 106.8 | R149 V150 L168 I177 V194 Y202 I224 | R149-L191 CarbonylContact C-O 3.56Å; R149-L191 VanDerWaalsContact CA-O 3.31Å; R149-L191 WeakPolarHBondContact CA-O 3.46Å; V150-L191 HydrophobicContact CB-CB 4.31Å; V150-L191 PolarHBondContact N-O 2.81Å; V150-L191 PolarHBondContact O-N 3Å; L168-L191 HydrophobicContact CD2-CD2 4.29Å; I177-L191 HydrophobicContact CD1-CD2 4.39Å; L191-V194 HydrophobicContact CB-CG1 3.82Å; L191-Y202 HydrophobicContact CD1-CD1 4.46Å; L191-Y202 HydrophobicContact CD1-CE1 3.71Å; L191-I224 HydrophobicContact CD1-CD1 3.89Å |
| 192 | V | 94 | Very high | 91.2 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 56% | 0.564 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 150.2 | -180 | -64.9 | 0 | 0 | 0 | 0 | 109.6 | R149 V194 | R149-V192 HydrophobicContact CG-CG1 4.17Å; V192-V194 VanDerWaalsContact C-N 3.32Å; V192-V194 PolarHBondContact O-N 3.35Å |
| 193 | D | 93.3 | Very high | 92.1 | Very high | 126 Ų | 126 | 51.9 Ų | 51.9 | 67% | 0.674 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 56.5 | 45.8 | 177.9 | -119.5 | -9.7 | 0 | 0 | 0 | 112.2 | G147 G148 | G147-D193 WeakPolarHBondContact CA-OD1 3.46Å; G148-D193 PolarHBondContact O-N 2.83Å |
| 194 | V | 93.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | trans | -61.8 | 143 | -170.2 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | V144 T145 A146 G147 G148 V150 L191 V192 D198 V226 | V144-V194 HydrophobicContact CG1-CG2 3.79Å; T145-V194 WeakPolarHBondContact O-CG2 3.39Å; A146-V194 CarbonylContact C-O 3.58Å; A146-V194 WeakPolarHBondContact CA-O 3.45Å; G147-V194 PolarHBondContact N-O 2.91Å; G148-V194 PolarHBondContact O-N 2.9Å; V150-V194 HydrophobicContact CG2-CG1 4.12Å; L191-V194 HydrophobicContact CB-CG1 3.82Å; V192-V194 VanDerWaalsContact C-N 3.32Å; V192-V194 PolarHBondContact O-N 3.35Å; V194-D198 HydrophobicContact CB-CB 4.34Å; V194-V226 HydrophobicContact CG2-CG1 4.34Å; V194-V226 HydrophobicContact CG2-CG2 4.48Å | ||
| 195 | T | 93.3 | Very high | 94.4 | Very high | 74 Ų | 74 | 44.3 Ų | 44.3 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | trans | -115.3 | 170.4 | 179.5 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | G197 D198 | T195-G197 PolarHBondContact O-N 2.85Å; T195-G197 PolarHBondContact OG1-N 2.96Å; T195-D198 PolarHBondContact N-OD2 2.9Å; T195-D198 WeakPolarHBondContact O-CB 3.25Å; T195-D198 PolarHBondContact O-N 2.95Å; T195-D198 PolarHBondContact OG1-OD2 2.65Å | ||
| 196 | A | 92.3 | Very high | 94.7 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 50% | 0.504 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -57.4 | -29.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D198 A199 V228 | A196-D198 PolarHBondContact O-N 2.84Å; A196-A199 WeakPolarHBondContact O-CB 3.48Å; A196-A199 PolarHBondContact O-N 2.84Å; A196-V228 HydrophobicContact CB-CG2 4.03Å |
| 197 | G | 92.5 | Very high | 94.9 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 55% | 0.546 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -69.2 | -17.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K170 T195 A199 | K170-G197 PolarHBondContact NZ-O 2.6Å; T195-G197 PolarHBondContact O-N 2.85Å; T195-G197 PolarHBondContact OG1-N 2.96Å; G197-A199 VanDerWaalsContact C-N 3.31Å |
| 198 | D | 94.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -84.7 | -2.8 | 177.2 | -61.3 | -58.2 | 0 | 0 | 0 | 113.4 | V194 T195 A196 Y202 | V194-D198 HydrophobicContact CB-CB 4.34Å; T195-D198 PolarHBondContact N-OD2 2.9Å; T195-D198 WeakPolarHBondContact O-CB 3.25Å; T195-D198 PolarHBondContact O-N 2.95Å; T195-D198 PolarHBondContact OG1-OD2 2.65Å; A196-D198 PolarHBondContact O-N 2.84Å; D198-Y202 WeakPolarHBondContact O-CE2 3.3Å; D198-Y202 PolarHBondContact O-OH 2.93Å |
| 199 | A | 94.4 | Very high | 94.8 | Very high | 40 Ų | 40 | 34.3 Ų | 34.3 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | trans | -66.5 | 150.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A196 G197 I224 V226 | A196-A199 WeakPolarHBondContact O-CB 3.48Å; A196-A199 PolarHBondContact O-N 2.84Å; G197-A199 VanDerWaalsContact C-N 3.31Å; A199-I224 CarbonylContact C-O 3.47Å; A199-I224 VanDerWaalsContact CA-O 3.25Å; A199-I224 WeakPolarHBondContact CA-O 3.28Å; A199-V226 HydrophobicContact CB-CB 4.46Å; A199-V226 HydrophobicContact CB-CG2 4.3Å | ||
| 200 | G | 95.1 | Very high | 94.6 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | -165.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y202 E223 I224 | G200-Y202 VanDerWaalsContact O-CD2 3.29Å; G200-Y202 WeakPolarHBondContact O-CD2 3.36Å; G200-E223 WeakPolarHBondContact O-CA 3.43Å; G200-I224 PolarHBondContact N-O 2.68Å; G200-I224 PolarHBondContact O-N 3.15Å |
| 201 | N | 97 | Very high | 94.4 | Very high | 54 Ų | 54 | 44 Ų | 44 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.5 | -174 | -66.5 | -18.2 | 0 | 0 | 0 | 112.2 | A171 Q221 E223 | A171-N201 HydrophobicContact CB-CB 3.99Å; A171-N201 PolarHBondContact N-O 2.99Å; N201-Q221 HydrophobicContact CB-CB 4.31Å; N201-Q221 HydrophobicContact CB-CG 4.45Å; N201-Q221 PolarHBondContact ND2-OE1 2.96Å; N201-E223 WeakPolarHBondContact OD1-CB 3.28Å |
| 202 | Y | 97.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.3 | 179.5 | -69.4 | -104.2 | 0 | 0 | 0 | 110.2 | L152 L168 L169 K170 I177 L191 D198 G200 Q221 L222 I224 | L152-Y202 HydrophobicContact CD1-CD1 4.15Å; L152-Y202 HydrophobicContact CD1-CG 4.32Å; L168-Y202 HydrophobicContact CD1-CD1 4.39Å; L168-Y202 HydrophobicContact CD2-CD1 4.18Å; L168-Y202 HydrophobicContact CG-CD1 4.29Å; L169-Y202 WeakPolarHBondContact O-CA 3.34Å; K170-Y202 HydrophobicContact CB-CD1 4.33Å; K170-Y202 HydrophobicContact CB-CE1 4.12Å; K170-Y202 HydrophobicContact CD-CE1 4.16Å; K170-Y202 HydrophobicContact CD-CE2 4.43Å; K170-Y202 WeakPolarHBondContact CD-OH 3.29Å; K170-Y202 WeakPolarHBondContact CE-OH 3.18Å; K170-Y202 HydrophobicContact CG-CE1 4.1Å; K170-Y202 HydrophobicContact CG-CE2 4.28Å; K170-Y202 PolarHBondContact NZ-OH 2.9Å; I177-Y202 HydrophobicContact CD1-CD1 3.96Å; I177-Y202 HydrophobicContact CD1-CE1 3.51Å; L191-Y202 HydrophobicContact CD1-CD1 4.46Å; L191-Y202 HydrophobicContact CD1-CE1 3.71Å; D198-Y202 WeakPolarHBondContact O-CE2 3.3Å; D198-Y202 PolarHBondContact O-OH 2.93Å; G200-Y202 VanDerWaalsContact O-CD2 3.29Å; G200-Y202 WeakPolarHBondContact O-CD2 3.36Å; Y202-Q221 CarbonylContact O-C 3.59Å; Y202-Q221 WeakPolarHBondContact O-CA 3.41Å; Y202-L222 PolarHBondContact N-O 2.79Å; Y202-L222 PolarHBondContact O-N 2.88Å; Y202-I224 HydrophobicContact CD1-CD1 4.36Å; Y202-I224 HydrophobicContact CD2-CB 4.18Å; Y202-I224 HydrophobicContact CD2-CD1 3.43Å; Y202-I224 VanDerWaalsContact CD2-CD1 3.43Å; Y202-I224 HydrophobicContact CD2-CG1 3.7Å; Y202-I224 HydrophobicContact CE1-CD1 4.43Å; Y202-I224 HydrophobicContact CE2-CB 4.08Å; Y202-I224 HydrophobicContact CE2-CD1 3.6Å; Y202-I224 HydrophobicContact CE2-CG1 4.01Å; Y202-I224 HydrophobicContact CG-CD1 3.87Å; Y202-I224 HydrophobicContact CG-CG1 4.45Å |
| 203 | S | 97.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 163.8 | 170 | 60.9 | 0 | 0 | 0 | 0 | 109.2 | L169 S219 | L169-S203 PolarHBondContact N-O 2.88Å; L169-S203 PolarHBondContact O-N 2.85Å; S203-S219 WeakPolarHBondContact CA-OG 3.29Å |
| 204 | C | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.4 | 173.9 | 74.8 | 0 | 0 | 0 | 0 | 111.6 | P134 L136 C154 A167 P218 S219 | P134-C204 VanDerWaalsContact CG-O 3.24Å; P134-C204 WeakPolarHBondContact CG-O 3.1Å; L136-C204 HydrophobicContact CD1-CB 4.03Å; C154-C204 HydrophobicContact CB-CB 3.62Å; C154-C204 WeakPolarHBondContact CB-SG 3.22Å; C154-C204 WeakPolarHBondContact SG-CB 3.27Å; C154-C204 CovalentContact SG-SG 2.02Å; C154-C204 PolarHBondContact SG-SG 3.49Å; A167-C204 VanDerWaalsContact O-CA 3.3Å; A167-C204 WeakPolarHBondContact O-CA 3.41Å; C204-P218 CarbonylContact O-C 3.52Å; C204-S219 PolarHBondContact N-OG 3Å; C204-S219 PolarHBondContact O-N 2.87Å |
| 205 | M | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 171.9 | 174.5 | 67.3 | 176.6 | -61.1 | 0 | 0 | 110.1 | V46 L126 T128 F166 A167 L169 A215 S216 | V46-M205 HydrophobicContact CB-SD 4.3Å; V46-M205 HydrophobicContact CG1-CE 3.9Å; V46-M205 HydrophobicContact CG1-SD 3.34Å; V46-M205 WeakPolarHBondContact CG1-SD 3.36Å; V46-M205 HydrophobicContact CG2-SD 3.98Å; L126-M205 HydrophobicContact CD1-CE 4.07Å; T128-M205 HydrophobicContact CG2-CE 3.65Å; F166-M205 WeakPolarHBondContact CA-O 3.17Å; A167-M205 HydrophobicContact CB-CG 3.78Å; A167-M205 PolarHBondContact N-O 3.5Å; A167-M205 PolarHBondContact O-N 2.85Å; L169-M205 HydrophobicContact CD1-CG 4.1Å; L169-M205 HydrophobicContact CD1-SD 3.88Å; L169-M205 HydrophobicContact CD2-SD 4.28Å; L169-M205 HydrophobicContact CG-CG 4.4Å; L169-M205 HydrophobicContact CG-SD 4.48Å; M205-A215 HydrophobicContact CE-CB 3.68Å; M205-S216 WeakPolarHBondContact CE-O 3.5Å |
| 206 | Y | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155 | 170.9 | 60.8 | -82.8 | 0 | 0 | 0 | 110.7 | L131 S132 P134 K156 D158 L160 I164 M165 F166 S216 | L131-Y206 HydrophobicContact CB-CE2 4.03Å; L131-Y206 HydrophobicContact CD1-CD2 4.06Å; L131-Y206 HydrophobicContact CD1-CE2 3.8Å; S132-Y206 VanDerWaalsContact O-CE1 3.29Å; S132-Y206 WeakPolarHBondContact O-CE1 3.28Å; S132-Y206 PolarHBondContact O-OH 3.48Å; P134-Y206 HydrophobicContact CB-CD1 3.92Å; P134-Y206 HydrophobicContact CB-CE1 3.86Å; P134-Y206 HydrophobicContact CG-CD1 3.97Å; P134-Y206 HydrophobicContact CG-CE1 4.13Å; K156-Y206 HydrophobicContact CB-CD1 3.8Å; K156-Y206 HydrophobicContact CB-CD2 4.5Å; K156-Y206 HydrophobicContact CB-CE1 3.52Å; K156-Y206 HydrophobicContact CB-CE2 4.26Å; K156-Y206 HydrophobicContact CB-CG 4.27Å; D158-Y206 PolarHBondContact OD2-OH 2.74Å; L160-Y206 HydrophobicContact CD1-CD2 4.03Å; L160-Y206 HydrophobicContact CD1-CE2 3.63Å; I164-Y206 HydrophobicContact CD1-CD2 4.41Å; M165-Y206 CarbonylContact O-C 3.51Å; M165-Y206 WeakPolarHBondContact O-CA 3.17Å; M165-Y206 WeakPolarHBondContact O-CB 3.45Å; F166-Y206 HydrophobicContact CE1-CD1 4.25Å; F166-Y206 HydrophobicContact CE1-CG 4.44Å; Y206-S216 VanDerWaalsContact CD1-OG 3.29Å; Y206-S216 WeakPolarHBondContact CD1-OG 3.22Å; Y206-S216 PolarHBondContact N-OG 2.94Å; Y206-S216 PolarHBondContact O-N 3.43Å; Y206-S216 PolarHBondContact O-OG 3.45Å |
| 207 | Y | 95.3 | Very high | 94.7 | Very high | 15 Ų | 15 | 39 Ų | 39 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 157.6 | -178.1 | 63.9 | -83.8 | 0 | 0 | 0 | 111.6 | L124 L126 I164 M165 A167 L179 W214 | L124-Y207 HydrophobicContact CD2-CD2 4.2Å; L124-Y207 HydrophobicContact CD2-CE2 3.47Å; L124-Y207 VanDerWaalsContact CD2-CE2 3.47Å; L126-Y207 HydrophobicContact CD1-CD1 3.53Å; L126-Y207 HydrophobicContact CD1-CD2 4.04Å; L126-Y207 HydrophobicContact CD1-CE1 3.89Å; L126-Y207 HydrophobicContact CD1-CE2 4.37Å; L126-Y207 HydrophobicContact CD1-CG 3.62Å; L126-Y207 HydrophobicContact CD2-CD2 3.76Å; L126-Y207 HydrophobicContact CD2-CE2 4.39Å; L126-Y207 HydrophobicContact CD2-CG 3.92Å; L126-Y207 HydrophobicContact CG-CG 4.45Å; I164-Y207 CarbonylContact C-O 3.55Å; I164-Y207 WeakPolarHBondContact CA-O 3.37Å; I164-Y207 WeakPolarHBondContact CB-O 3.17Å; M165-Y207 HydrophobicContact CB-CD1 4.33Å; M165-Y207 HydrophobicContact CB-CE1 3.69Å; M165-Y207 HydrophobicContact CB-CE2 4.05Å; M165-Y207 PolarHBondContact N-O 3.29Å; M165-Y207 PolarHBondContact O-N 3.3Å; A167-Y207 HydrophobicContact CB-CE1 4.26Å; L179-Y207 HydrophobicContact CD2-CE1 4.13Å; Y207-W214 CarbonylContact C-O 3.6Å; Y207-W214 WeakPolarHBondContact CA-O 3.38Å; Y207-W214 WeakPolarHBondContact CB-O 3.07Å |
| 208 | Q | 93.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 134.7 | 174.1 | -62.3 | -177 | 23.3 | 0 | 0 | 110.7 | V162 K210 F213 W214 | V162-Q208 HydrophobicContact CG2-CG 3.85Å; Q208-K210 PolarHBondContact O-N 2.88Å; Q208-F213 WeakPolarHBondContact O-CD1 3.17Å; Q208-W214 HydrophobicContact CG-CB 4.35Å; Q208-W214 PolarHBondContact N-O 3.18Å |
| 209 | T | 92.1 | Very high | 95.1 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -82 | -1.3 | -179.8 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | P163 M165 | P163-T209 PolarHBondContact O-N 3.25Å; M165-T209 HydrophobicContact CB-CG2 4Å; M165-T209 HydrophobicContact CG-CG2 3.22Å |
| 210 | K | 91.6 | Very high | 95.2 | Very high | 150 Ų | 150 | 39.5 Ų | 39.5 | 65% | 0.652 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -127.5 | 157.1 | 179.2 | -63.2 | -63.1 | 179.6 | -171.8 | 0 | 109.1 | Q208 F213 | Q208-K210 PolarHBondContact O-N 2.88Å; K210-F213 WeakPolarHBondContact O-CA 3.38Å; K210-F213 PolarHBondContact O-N 2.87Å |
| 211 | S | 90.3 | Very high | 95.2 | Very high | 99 Ų | 99 | 44.6 Ų | 44.6 | 69% | 0.692 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 131.4 | 172.5 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 212 | P | 92.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 34% | 0.344 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.4 | 15.1 | 16.2 | 35.4 | -37.7 | 0 | 0 | 0 | 116.4 | W214 | P212-W214 VanDerWaalsContact C-N 3.3Å; P212-W214 HydrophobicContact CG-CD2 3.78Å; P212-W214 HydrophobicContact CG-CG 3.91Å; P212-W214 HydrophobicContact CG-CZ2 3.79Å; P212-W214 PolarHBondContact O-N 2.89Å |
| 213 | F | 94.7 | Very high | 95.1 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | trans | 57.7 | 37.2 | 178.6 | -55 | -82.5 | 0 | 0 | 0 | 114 | A100 E102 L124 L126 Q208 K210 A215 | A100-F213 HydrophobicContact CB-CB 4.15Å; E102-F213 HydrophobicContact CG-CE1 4.43Å; E102-F213 HydrophobicContact CG-CZ 4.05Å; L124-F213 HydrophobicContact CD1-CD1 3.86Å; L124-F213 HydrophobicContact CD1-CE1 4.04Å; L124-F213 HydrophobicContact CD1-CG 4.33Å; L126-F213 HydrophobicContact CD2-CB 4.43Å; Q208-F213 WeakPolarHBondContact O-CD1 3.17Å; K210-F213 WeakPolarHBondContact O-CA 3.38Å; K210-F213 PolarHBondContact O-N 2.87Å; F213-A215 PolarHBondContact O-N 2.86Å | ||
| 214 | W | 94 | Very high | 94.9 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 35% | 0.348 | 25% | 0.25 | S | S | . | . | trans | -57.8 | 135.1 | 176.6 | -66.2 | -20.3 | 0 | 0 | 0 | 111.2 | V97 H130 L131 Y207 Q208 P212 | V97-W214 VanDerWaalsContact CG1-CD1 3.46Å; H130-W214 HydrophobicContact CB-CB 4.25Å; H130-W214 HydrophobicContact CB-CG 4.29Å; H130-W214 AromaticContact CD2-CD1 3.65Å; H130-W214 AromaticContact CD2-CD2 3.08Å; H130-W214 AromaticContact CD2-CE2 3.55Å; H130-W214 AromaticContact CD2-CE3 3.41Å; H130-W214 VanDerWaalsContact CD2-CE3 3.41Å; H130-W214 AromaticContact CD2-CG 3.21Å; H130-W214 AromaticContact CD2-NE1 3.79Å; H130-W214 AromaticContact CE1-CE2 3.89Å; H130-W214 AromaticContact CG-CD1 3.86Å; H130-W214 AromaticContact CG-CG 3.8Å; H130-W214 AromaticContact NE2-CD2 3.22Å; H130-W214 AromaticContact NE2-CE2 3.23Å; H130-W214 AromaticContact NE2-CE3 3.41Å; H130-W214 AromaticContact NE2-CG 3.83Å; H130-W214 AromaticContact NE2-CH2 3.76Å; H130-W214 AromaticContact NE2-CZ2 3.53Å; H130-W214 AromaticContact NE2-CZ3 3.69Å; H130-W214 AromaticContact NE2-NE1 3.72Å; L131-W214 HydrophobicContact CD1-CB 4.13Å; L131-W214 WeakPolarHBondContact CD1-O 3.46Å; L131-W214 HydrophobicContact CD2-CB 4.27Å; L131-W214 HydrophobicContact CD2-CE3 4.43Å; L131-W214 HydrophobicContact CG-CB 4.08Å; Y207-W214 CarbonylContact C-O 3.6Å; Y207-W214 WeakPolarHBondContact CA-O 3.38Å; Y207-W214 WeakPolarHBondContact CB-O 3.07Å; Q208-W214 HydrophobicContact CG-CB 4.35Å; Q208-W214 PolarHBondContact N-O 3.18Å; P212-W214 VanDerWaalsContact C-N 3.3Å; P212-W214 HydrophobicContact CG-CD2 3.78Å; P212-W214 HydrophobicContact CG-CG 3.91Å; P212-W214 HydrophobicContact CG-CZ2 3.79Å; P212-W214 PolarHBondContact O-N 2.89Å | ||
| 215 | A | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L126 T128 G129 H130 L131 M205 F213 | L126-A215 HydrophobicContact CB-CB 4.28Å; L126-A215 HydrophobicContact CD2-CB 4.48Å; T128-A215 HydrophobicContact CG2-CB 4.36Å; G129-A215 PolarHBondContact N-O 2.82Å; H130-A215 PolarHBondContact N-O 2.59Å; L131-A215 PolarHBondContact N-O 2.64Å; M205-A215 HydrophobicContact CE-CB 3.68Å; F213-A215 PolarHBondContact O-N 2.86Å |
| 216 | S | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 159.9 | 170.2 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | T128 L131 S132 M205 Y206 | T128-S216 VanDerWaalsContact CB-O 3.28Å; T128-S216 WeakPolarHBondContact CB-O 3.21Å; T128-S216 VanDerWaalsContact CG2-O 3.3Å; T128-S216 WeakPolarHBondContact CG2-O 3.35Å; L131-S216 WeakPolarHBondContact O-CA 3.5Å; S132-S216 WeakPolarHBondContact O-CB 3.15Å; M205-S216 WeakPolarHBondContact CE-O 3.5Å; Y206-S216 VanDerWaalsContact CD1-OG 3.29Å; Y206-S216 WeakPolarHBondContact CD1-OG 3.22Å; Y206-S216 PolarHBondContact N-OG 2.94Å; Y206-S216 PolarHBondContact O-N 3.43Å; Y206-S216 PolarHBondContact O-OG 3.45Å |
| 217 | E | 95.4 | Very high | 94.5 | Very high | 99 Ų | 99 | 57.4 Ų | 57.4 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 149.3 | 159.6 | -60.7 | -174.8 | 119.6 | 0 | 0 | 110.2 | K133 P134 | K133-E217 HydrophobicContact CB-CB 4.11Å; P134-E217 WeakPolarHBondContact CD-O 3.33Å |
| 218 | P | 96.8 | Very high | 94.1 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 29% | 0.292 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 147.3 | 170 | -23.9 | 34.7 | 0 | 0 | 0 | 111.8 | L169 C204 | L169-P218 HydrophobicContact CD1-CB 4.21Å; L169-P218 HydrophobicContact CD1-CG 4.06Å; C204-P218 CarbonylContact O-C 3.52Å |
| 219 | S | 97.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 169.5 | 168.7 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | P134 L136 S203 C204 | P134-S219 WeakPolarHBondContact O-CB 3.38Å; L136-S219 WeakPolarHBondContact CB-OG 3.32Å; S203-S219 WeakPolarHBondContact CA-OG 3.29Å; C204-S219 PolarHBondContact N-OG 3Å; C204-S219 PolarHBondContact O-N 2.87Å |
| 220 | D | 96.9 | Very high | 92.1 | Very high | 97 Ų | 97 | 66.6 Ų | 66.6 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 148.6 | 164.2 | -57.2 | -37.2 | 0 | 0 | 0 | 109.9 | K133 | K133-D220 IonicContact NZ-OD1 3.68Å; K133-D220 PolarHBondContact NZ-OD1 2.9Å; K133-D220 IonicContact NZ-OD2 2.69Å; K133-D220 PolarHBondContact NZ-OD2 2.96Å |
| 221 | Q | 96 | Very high | 90.6 | Very high | 131 Ų | 131 | 62 Ų | 62 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 141.2 | -176.7 | -70.4 | 177.7 | 63.6 | 0 | 0 | 110.8 | N201 Y202 | N201-Q221 HydrophobicContact CB-CB 4.31Å; N201-Q221 HydrophobicContact CB-CG 4.45Å; N201-Q221 PolarHBondContact ND2-OE1 2.96Å; Y202-Q221 CarbonylContact O-C 3.59Å; Y202-Q221 WeakPolarHBondContact O-CA 3.41Å |
| 222 | L | 95.6 | Very high | 88.9 | Confident | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.7 | 175.5 | -171.6 | 148.5 | 0 | 0 | 0 | 108.7 | L136 T138 L152 Y202 I224 | L136-L222 HydrophobicContact CD2-CB 3.98Å; L136-L222 HydrophobicContact CG-CB 4.49Å; L136-L222 HydrophobicContact CG-CD1 4.42Å; T138-L222 HydrophobicContact CG2-CD1 3.95Å; T138-L222 HydrophobicContact CG2-CD2 4.08Å; L152-L222 HydrophobicContact CD2-CD2 3.96Å; Y202-L222 PolarHBondContact N-O 2.79Å; Y202-L222 PolarHBondContact O-N 2.88Å; L222-I224 HydrophobicContact CD2-CG1 4.01Å |
| 223 | E | 95.4 | Very high | 86.9 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 131 | 179.7 | -172.1 | 175.4 | -148.3 | 0 | 0 | 110.8 | G200 N201 L225 | G200-E223 WeakPolarHBondContact O-CA 3.43Å; N201-E223 WeakPolarHBondContact OD1-CB 3.28Å; E223-L225 HydrophobicContact CG-CD2 4.02Å; E223-L225 HydrophobicContact CG-CG 4.44Å |
| 224 | I | 94.5 | Very high | 84.8 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.4 | 172.2 | -58 | 179.2 | 0 | 0 | 0 | 108.2 | V150 L152 L191 A199 G200 Y202 L222 V226 | V150-I224 HydrophobicContact CG1-CD1 3.97Å; V150-I224 HydrophobicContact CG2-CG2 4.28Å; L152-I224 HydrophobicContact CD1-CD1 4Å; L152-I224 HydrophobicContact CD2-CD1 4.13Å; L152-I224 HydrophobicContact CG-CD1 4.47Å; L191-I224 HydrophobicContact CD1-CD1 3.89Å; A199-I224 CarbonylContact C-O 3.47Å; A199-I224 VanDerWaalsContact CA-O 3.25Å; A199-I224 WeakPolarHBondContact CA-O 3.28Å; G200-I224 PolarHBondContact N-O 2.68Å; G200-I224 PolarHBondContact O-N 3.15Å; Y202-I224 HydrophobicContact CD1-CD1 4.36Å; Y202-I224 HydrophobicContact CD2-CB 4.18Å; Y202-I224 HydrophobicContact CD2-CD1 3.43Å; Y202-I224 VanDerWaalsContact CD2-CD1 3.43Å; Y202-I224 HydrophobicContact CD2-CG1 3.7Å; Y202-I224 HydrophobicContact CE1-CD1 4.43Å; Y202-I224 HydrophobicContact CE2-CB 4.08Å; Y202-I224 HydrophobicContact CE2-CD1 3.6Å; Y202-I224 HydrophobicContact CE2-CG1 4.01Å; Y202-I224 HydrophobicContact CG-CD1 3.87Å; Y202-I224 HydrophobicContact CG-CG1 4.45Å; L222-I224 HydrophobicContact CD2-CG1 4.01Å; I224-V226 HydrophobicContact CG2-CG2 4.33Å |
| 225 | L | 93.8 | Very high | 82.8 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 41% | 0.414 | 39% | 0.391 | S | S | . | . | trans | -106.6 | 133.9 | 176 | -58.6 | 175.5 | 0 | 0 | 0 | 109.4 | T143 V144 E223 | T143-L225 HydrophobicContact CG2-CB 3.8Å; T143-L225 WeakPolarHBondContact CG2-O 3.24Å; V144-L225 PolarHBondContact N-O 3.37Å; E223-L225 HydrophobicContact CG-CD2 4.02Å; E223-L225 HydrophobicContact CG-CG 4.44Å | ||
| 226 | V | 93.1 | Very high | 80.8 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 15% | 0.152 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.1 | 178.7 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | V144 A146 V194 A199 I224 | V144-V226 CarbonylContact O-C 3.59Å; V144-V226 VanDerWaalsContact O-CA 3.23Å; V144-V226 WeakPolarHBondContact O-CA 3.15Å; A146-V226 HydrophobicContact CB-CG1 4.26Å; V194-V226 HydrophobicContact CG2-CG1 4.34Å; V194-V226 HydrophobicContact CG2-CG2 4.48Å; A199-V226 HydrophobicContact CB-CB 4.46Å; A199-V226 HydrophobicContact CB-CG2 4.3Å; I224-V226 HydrophobicContact CG2-CG2 4.33Å |
| 227 | T | 92.4 | Very high | 79 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 136.1 | 173.4 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | T143 V144 T145 A146 | T143-T227 HydrophobicContact CG2-CG2 3.3Å; V144-T227 PolarHBondContact O-N 2.97Å; V144-T227 PolarHBondContact O-OG1 3.25Å; T145-T227 CarbonylContact C-O 3.51Å; T145-T227 WeakPolarHBondContact CA-O 3.25Å; A146-T227 PolarHBondContact N-O 2.61Å |
| 228 | V | 87.5 | Confident | 77.3 | Confident | 68 Ų | 68 | 76.1 Ų | 76.1 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | trans | -99.6 | 118.6 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | A146 A196 T232 T233 | A146-V228 HydrophobicContact CB-CG2 4.28Å; A196-V228 HydrophobicContact CB-CG2 4.03Å; V228-T232 WeakPolarHBondContact CG1-OG1 3.18Å; V228-T233 HydrophobicContact CG1-CG2 4.42Å | ||
| 229 | P | 78.7 | Confident | 75.6 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 37% | 0.37 | 46% | 0.457 | S | S | . | . | trans | -60.2 | 137.3 | 174.9 | -22.1 | 32.5 | 0 | 0 | 0 | 111.1 | G231 T232 | P229-G231 PolarHBondContact O-N 3.17Å; P229-T232 PolarHBondContact O-OG1 3.19Å | ||
| 230 | P | 64.5 | Low | 74.1 | Confident | 140 Ų | 140 | 80.7 Ų | 80.7 | 91% | 0.909 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 104.3 | 175.8 | 25.5 | -31.3 | 0 | 0 | 0 | 109.4 | ||
| 231 | G | 60.1 | Low | 72.9 | Confident | 55 Ų | 55 | 80.1 Ų | 80.1 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 154.6 | -21.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P229 | P229-G231 PolarHBondContact O-N 3.17Š|
| 232 | T | 54.5 | Low | 71.9 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 60% | 0.595 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -10.9 | -176.1 | 47.4 | 0 | 0 | 0 | 0 | 114.6 | V228 P229 | V228-T232 WeakPolarHBondContact CG1-OG1 3.18Å; P229-T232 PolarHBondContact O-OG1 3.19Å |
| 233 | T | 50.5 | Low | 71.2 | Confident | 103 Ų | 103 | 83.4 Ų | 83.4 | 63% | 0.632 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.7 | 177.9 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | V228 | V228-T233 HydrophobicContact CG1-CG2 4.42Š|
| 234 | S | 51.7 | Low | 70.5 | Confident | 56 Ų | 56 | 86.2 Ų | 86.2 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -82.6 | -20.8 | -168.7 | 84.8 | 0 | 0 | 0 | 0 | 116.4 | Y237 S238 | S234-Y237 WeakPolarHBondContact O-CD1 3.43Å; S234-Y237 WeakPolarHBondContact O-CE1 3.38Å; S234-S238 WeakPolarHBondContact O-CB 2.97Å; S234-S238 PolarHBondContact O-OG 2.95Å |
| 235 | S | 52 | Low | 70 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76.7 | -38.5 | -171.4 | -154.5 | 0 | 0 | 0 | 0 | 112.8 | L239 | S235-L239 PolarHBondContact O-N 3.22Å |
| 236 | N | 53.9 | Low | 69.7 | Low | 139 Ų | 139 | 89.5 Ų | 89.5 | 74% | 0.743 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -76.3 | -35.9 | -174.8 | -74.9 | -36.6 | 0 | 0 | 0 | 113.9 | S238 G240 | N236-S238 VanDerWaalsContact C-N 3.33Å; N236-G240 PolarHBondContact O-N 2.94Å |
| 237 | Y | 58.4 | Low | 69.5 | Low | 145 Ų | 145 | 93.6 Ų | 93.6 | 57% | 0.569 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.1 | -35.2 | 175.9 | 83.8 | -106.9 | 0 | 0 | 0 | 111.4 | S234 N241 | S234-Y237 WeakPolarHBondContact O-CD1 3.43Å; S234-Y237 WeakPolarHBondContact O-CE1 3.38Å; Y237-N241 WeakPolarHBondContact O-CB 3.24Å; Y237-N241 PolarHBondContact O-N 3.39Å; Y237-N241 VanDerWaalsContact O-N 3.13Å |
| 238 | S | 58.8 | Low | 69.3 | Low | 31 Ų | 31 | 92.9 Ų | 92.9 | 22% | 0.217 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -68.8 | -46.8 | -176.7 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | S234 N236 G240 N241 F242 | S234-S238 WeakPolarHBondContact O-CB 2.97Å; S234-S238 PolarHBondContact O-OG 2.95Å; N236-S238 VanDerWaalsContact C-N 3.33Å; S238-G240 PolarHBondContact O-N 2.88Å; S238-N241 PolarHBondContact O-N 2.78Å; S238-F242 WeakPolarHBondContact O-CD2 3.24Å; S238-F242 PolarHBondContact O-N 2.88Å |
| 239 | L | 62.6 | Low | 69.5 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 179.8 | -168.5 | 67.6 | 0 | 0 | 0 | 112.3 | S235 N241 F242 V243 | S235-L239 PolarHBondContact O-N 3.22Å; L239-N241 VanDerWaalsContact C-N 3.34Å; L239-N241 PolarHBondContact O-N 2.73Å; L239-F242 PolarHBondContact O-N 3.28Å; L239-V243 WeakPolarHBondContact O-CG2 3.4Å; L239-V243 PolarHBondContact O-N 3.38Å |
| 240 | G | 65.6 | Low | 70.2 | Confident | 33 Ų | 33 | 93.8 Ų | 93.8 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N236 S238 R244 | N236-G240 PolarHBondContact O-N 2.94Å; S238-G240 PolarHBondContact O-N 2.88Å; G240-R244 WeakPolarHBondContact O-CB 3.48Å; G240-R244 VanDerWaalsContact O-CG 3.28Å; G240-R244 WeakPolarHBondContact O-CG 3.49Å; G240-R244 PolarHBondContact O-N 3.23Å |
| 241 | N | 70.8 | Confident | 71.5 | Confident | 85 Ų | 85 | 91.7 Ų | 91.7 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 175.2 | -79.8 | -4.7 | 0 | 0 | 0 | 112.5 | Y237 S238 L239 R244 L245 | Y237-N241 WeakPolarHBondContact O-CB 3.24Å; Y237-N241 PolarHBondContact O-N 3.39Å; Y237-N241 VanDerWaalsContact O-N 3.13Å; S238-N241 PolarHBondContact O-N 2.78Å; L239-N241 VanDerWaalsContact C-N 3.34Å; L239-N241 PolarHBondContact O-N 2.73Å; N241-R244 PolarHBondContact O-N 2.81Å; N241-L245 WeakPolarHBondContact O-CB 3.24Å; N241-L245 WeakPolarHBondContact O-CD1 3.19Å; N241-L245 PolarHBondContact O-N 2.91Å |
| 242 | F | 76.1 | Confident | 73.1 | Confident | 146 Ų | 146 | 94 Ų | 94 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.1 | -40.3 | 175.1 | -73.1 | -61.3 | 0 | 0 | 0 | 112.4 | S238 L239 L245 G246 | S238-F242 WeakPolarHBondContact O-CD2 3.24Å; S238-F242 PolarHBondContact O-N 2.88Å; L239-F242 PolarHBondContact O-N 3.28Å; F242-L245 PolarHBondContact O-N 3.19Å; F242-G246 PolarHBondContact O-N 3.24Å |
| 243 | V | 80.1 | Confident | 75 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | L239 G246 L247 | L239-V243 WeakPolarHBondContact O-CG2 3.4Å; L239-V243 PolarHBondContact O-N 3.38Å; V243-G246 PolarHBondContact O-N 3.02Å; V243-L247 HydrophobicContact CG1-CD1 4.07Å; V243-L247 PolarHBondContact O-N 2.81Å |
| 244 | R | 80.3 | Confident | 77 | Confident | 186 Ų | 186 | 93.5 Ų | 93.5 | 70% | 0.702 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 176.5 | -74.3 | 177.4 | -178.6 | -161 | 1.2 | 112.7 | G240 N241 G246 L247 A248 | G240-R244 WeakPolarHBondContact O-CB 3.48Å; G240-R244 VanDerWaalsContact O-CG 3.28Å; G240-R244 WeakPolarHBondContact O-CG 3.49Å; G240-R244 PolarHBondContact O-N 3.23Å; N241-R244 PolarHBondContact O-N 2.81Å; R244-G246 VanDerWaalsContact C-N 3.34Å; R244-L247 PolarHBondContact O-N 2.9Å; R244-A248 WeakPolarHBondContact O-CB 3.37Å; R244-A248 PolarHBondContact O-N 2.97Å |
| 245 | L | 85.3 | Confident | 79 | Confident | 123 Ų | 123 | 96.1 Ų | 96.1 | 64% | 0.644 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 174 | -105.2 | 87.8 | 0 | 0 | 0 | 111.3 | N241 F242 A248 A249 | N241-L245 WeakPolarHBondContact O-CB 3.24Å; N241-L245 WeakPolarHBondContact O-CD1 3.19Å; N241-L245 PolarHBondContact O-N 2.91Å; F242-L245 PolarHBondContact O-N 3.19Å; L245-A248 PolarHBondContact O-N 2.02Å; L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 2.81Å |
| 246 | G | 86.3 | Confident | 80.9 | Confident | 36 Ų | 36 | 93.4 Ų | 93.4 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F242 V243 R244 A249 V250 | F242-G246 PolarHBondContact O-N 3.24Å; V243-G246 PolarHBondContact O-N 3.02Å; R244-G246 VanDerWaalsContact C-N 3.34Å; G246-A249 PolarHBondContact O-N 3.41Å; G246-V250 VanDerWaalsContact O-CG2 3.31Å; G246-V250 WeakPolarHBondContact O-CG2 3.36Å; G246-V250 PolarHBondContact O-N 3Å |
| 247 | L | 88.7 | Confident | 82.7 | Confident | 110 Ų | 110 | 89.2 Ų | 89.2 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 175.2 | -106.3 | 126.1 | 0 | 0 | 0 | 112.4 | V243 R244 V250 I251 | V243-L247 HydrophobicContact CG1-CD1 4.07Å; V243-L247 PolarHBondContact O-N 2.81Å; R244-L247 PolarHBondContact O-N 2.9Å; L247-V250 PolarHBondContact O-N 2.92Å; L247-I251 VanDerWaalsContact O-CG1 3.29Å; L247-I251 WeakPolarHBondContact O-CG1 3.49Å; L247-I251 PolarHBondContact O-N 2.91Å |
| 248 | A | 88.4 | Confident | 84.2 | Confident | 52 Ų | 52 | 88.3 Ų | 88.3 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R244 L245 V250 I251 V252 | R244-A248 WeakPolarHBondContact O-CB 3.37Å; R244-A248 PolarHBondContact O-N 2.97Å; L245-A248 PolarHBondContact O-N 2.02Å; A248-V250 PolarHBondContact O-N 2.95Å; A248-I251 PolarHBondContact O-N 2.81Å; A248-V252 WeakPolarHBondContact O-CG2 3.28Å; A248-V252 PolarHBondContact O-N 3.41Å |
| 249 | A | 91.6 | Very high | 85.7 | Confident | 55 Ų | 55 | 92.5 Ų | 92.5 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L245 G246 I251 V252 V253 | L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 2.81Å; G246-A249 PolarHBondContact O-N 3.41Å; A249-I251 VanDerWaalsContact C-N 3.34Å; A249-I251 PolarHBondContact O-N 3.37Å; A249-V252 PolarHBondContact O-N 2.81Å; A249-V253 WeakPolarHBondContact O-CG2 3.43Å; A249-V253 PolarHBondContact O-N 3.34Å |
| 250 | V | 93.6 | Very high | 87 | Confident | 88 Ų | 88 | 91.5 Ų | 91.5 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | G246 L247 A248 V252 V253 I254 | G246-V250 VanDerWaalsContact O-CG2 3.31Å; G246-V250 WeakPolarHBondContact O-CG2 3.36Å; G246-V250 PolarHBondContact O-N 3Å; L247-V250 PolarHBondContact O-N 2.92Å; A248-V250 PolarHBondContact O-N 2.95Å; V250-V252 VanDerWaalsContact C-N 3.35Å; V250-V252 PolarHBondContact O-N 2.79Å; V250-V253 PolarHBondContact O-N 3.17Å; V250-I254 HydrophobicContact CG1-CD1 3.75Å; V250-I254 HydrophobicContact CG1-CG1 4.47Å; V250-I254 VanDerWaalsContact O-CG1 3.27Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 3.3Å |
| 251 | I | 92.9 | Very high | 87.8 | Confident | 96 Ų | 96 | 95.9 Ų | 95.9 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.5 | -67.5 | 164.5 | 0 | 0 | 0 | 110.9 | L247 A248 A249 V253 I254 M255 | L247-I251 VanDerWaalsContact O-CG1 3.29Å; L247-I251 WeakPolarHBondContact O-CG1 3.49Å; L247-I251 PolarHBondContact O-N 2.91Å; A248-I251 PolarHBondContact O-N 2.81Å; A249-I251 VanDerWaalsContact C-N 3.34Å; A249-I251 PolarHBondContact O-N 3.37Å; I251-V253 PolarHBondContact O-N 2.87Å; I251-I254 PolarHBondContact O-N 3.34Å; I251-M255 HydrophobicContact CG2-CG 4.39Å; I251-M255 WeakPolarHBondContact O-CB 3.44Å; I251-M255 VanDerWaalsContact O-CG 3.31Å; I251-M255 WeakPolarHBondContact O-CG 3.46Å; I251-M255 PolarHBondContact O-N 3.07Å |
| 252 | V | 93.8 | Very high | 88.4 | Confident | 103 Ų | 103 | 94.6 Ų | 94.6 | 62% | 0.624 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -40.7 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | A248 A249 V250 M255 G256 | A248-V252 WeakPolarHBondContact O-CG2 3.28Å; A248-V252 PolarHBondContact O-N 3.41Å; A249-V252 PolarHBondContact O-N 2.81Å; V250-V252 VanDerWaalsContact C-N 3.35Å; V250-V252 PolarHBondContact O-N 2.79Å; V252-M255 PolarHBondContact O-N 3.37Å; V252-G256 PolarHBondContact O-N 3.41Å |
| 253 | V | 93.6 | Very high | 88.8 | Confident | 105 Ų | 105 | 95.6 Ų | 95.6 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | A249 V250 I251 G256 A257 | A249-V253 WeakPolarHBondContact O-CG2 3.43Å; A249-V253 PolarHBondContact O-N 3.34Å; V250-V253 PolarHBondContact O-N 3.17Å; I251-V253 PolarHBondContact O-N 2.87Å; V253-G256 PolarHBondContact O-N 3.2Å; V253-A257 PolarHBondContact O-N 2.66Å |
| 254 | I | 93.1 | Very high | 88.9 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 177 | -68.2 | 166.1 | 0 | 0 | 0 | 110.6 | V250 I251 G256 A257 F258 | V250-I254 HydrophobicContact CG1-CD1 3.75Å; V250-I254 HydrophobicContact CG1-CG1 4.47Å; V250-I254 VanDerWaalsContact O-CG1 3.27Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 3.3Å; I251-I254 PolarHBondContact O-N 3.34Å; I254-G256 VanDerWaalsContact C-N 3.32Å; I254-G256 PolarHBondContact O-N 2.84Å; I254-A257 PolarHBondContact O-N 3.01Å; I254-F258 HydrophobicContact CG2-CD2 3.75Å; I254-F258 HydrophobicContact CG2-CE2 3.4Å; I254-F258 HydrophobicContact CG2-CZ 4.49Å; I254-F258 WeakPolarHBondContact O-CD2 3.3Å; I254-F258 PolarHBondContact O-N 3.1Å |
| 255 | M | 92.5 | Very high | 88.8 | Confident | 111 Ų | 111 | 93.6 Ų | 93.6 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 176.6 | -73 | -64.9 | -64.4 | 0 | 0 | 112 | I251 V252 F258 L259 | I251-M255 HydrophobicContact CG2-CG 4.39Å; I251-M255 WeakPolarHBondContact O-CB 3.44Å; I251-M255 VanDerWaalsContact O-CG 3.31Å; I251-M255 WeakPolarHBondContact O-CG 3.46Å; I251-M255 PolarHBondContact O-N 3.07Å; V252-M255 PolarHBondContact O-N 3.37Å; M255-F258 PolarHBondContact O-N 2.82Å; M255-L259 WeakPolarHBondContact O-CG 3.45Å; M255-L259 PolarHBondContact O-N 2.81Å |
| 256 | G | 92.3 | Very high | 88.1 | Confident | 31 Ų | 31 | 98 Ų | 98 | 32% | 0.32 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V252 V253 I254 F258 L259 V260 | V252-G256 PolarHBondContact O-N 3.41Å; V253-G256 PolarHBondContact O-N 3.2Å; I254-G256 VanDerWaalsContact C-N 3.32Å; I254-G256 PolarHBondContact O-N 2.84Å; G256-F258 PolarHBondContact O-N 3.43Å; G256-L259 PolarHBondContact O-N 2.65Å; G256-V260 WeakPolarHBondContact O-CG2 3.26Å; G256-V260 PolarHBondContact O-N 2.94Å |
| 257 | A | 91.5 | Very high | 87.2 | Confident | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V253 I254 L259 V260 E261 | V253-A257 PolarHBondContact O-N 2.66Å; I254-A257 PolarHBondContact O-N 3.01Å; A257-L259 VanDerWaalsContact C-N 3.33Å; A257-L259 PolarHBondContact O-N 3.09Å; A257-V260 PolarHBondContact O-N 3.22Å; A257-E261 PolarHBondContact O-N 3Å |
| 258 | F | 90.4 | Very high | 85.7 | Confident | 126 Ų | 126 | 99.1 Ų | 99.1 | 55% | 0.553 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -38.7 | 175.6 | -76.9 | -60.2 | 0 | 0 | 0 | 113 | I254 M255 G256 A262 | I254-F258 HydrophobicContact CG2-CD2 3.75Å; I254-F258 HydrophobicContact CG2-CE2 3.4Å; I254-F258 HydrophobicContact CG2-CZ 4.49Å; I254-F258 WeakPolarHBondContact O-CD2 3.3Å; I254-F258 PolarHBondContact O-N 3.1Å; M255-F258 PolarHBondContact O-N 2.82Å; G256-F258 PolarHBondContact O-N 3.43Å; F258-A262 VanDerWaalsContact O-CB 3.28Å; F258-A262 WeakPolarHBondContact O-CB 3.28Å; F258-A262 PolarHBondContact O-N 2.82Å |
| 259 | L | 89.4 | Confident | 84.3 | Confident | 119 Ų | 119 | 101.3 Ų | 101.3 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.4 | -37.8 | 176.4 | -70.5 | 173.4 | 0 | 0 | 0 | 112.1 | M255 G256 A257 A262 W263 | M255-L259 WeakPolarHBondContact O-CG 3.45Å; M255-L259 PolarHBondContact O-N 2.81Å; G256-L259 PolarHBondContact O-N 2.65Å; A257-L259 VanDerWaalsContact C-N 3.33Å; A257-L259 PolarHBondContact O-N 3.09Å; L259-A262 PolarHBondContact O-N 3.07Å; L259-W263 VanDerWaalsContact O-CB 3.31Å; L259-W263 WeakPolarHBondContact O-CB 3.49Å; L259-W263 PolarHBondContact O-N 2.89Å |
| 260 | V | 90.3 | Very high | 82.2 | Confident | 95 Ų | 95 | 104.5 Ų | 104.5 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.8 | -45 | 175.5 | 172 | 0 | 0 | 0 | 0 | 110.8 | G256 A257 A262 W263 Y264 | G256-V260 WeakPolarHBondContact O-CG2 3.26Å; G256-V260 PolarHBondContact O-N 2.94Å; A257-V260 PolarHBondContact O-N 3.22Å; V260-A262 VanDerWaalsContact C-N 3.33Å; V260-A262 PolarHBondContact O-N 3.25Å; V260-W263 PolarHBondContact O-N 2.79Å; V260-Y264 WeakPolarHBondContact O-CB 3.3Å; V260-Y264 PolarHBondContact O-N 3.11Å |
| 261 | E | 82.4 | Confident | 79.9 | Confident | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.8 | -42.9 | 174.9 | -76.4 | -172.2 | 172.2 | 0 | 0 | 111.8 | A257 Y264 S265 | A257-E261 PolarHBondContact O-N 3Å; E261-Y264 PolarHBondContact O-N 2.94Å; E261-S265 WeakPolarHBondContact O-CB 3.44Å; E261-S265 PolarHBondContact O-N 3.23Å; E261-S265 PolarHBondContact O-OG 2.82Å |
| 262 | A | 83.8 | Confident | 77.7 | Confident | 59 Ų | 59 | 107.8 Ų | 107.8 | 49% | 0.488 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F258 L259 V260 R266 | F258-A262 VanDerWaalsContact O-CB 3.28Å; F258-A262 WeakPolarHBondContact O-CB 3.28Å; F258-A262 PolarHBondContact O-N 2.82Å; L259-A262 PolarHBondContact O-N 3.07Å; V260-A262 VanDerWaalsContact C-N 3.33Å; V260-A262 PolarHBondContact O-N 3.25Å; A262-R266 WeakPolarHBondContact O-CB 3.29Å; A262-R266 PolarHBondContact O-N 2.75Å; A262-R266 VanDerWaalsContact O-N 3.16Å |
| 263 | W | 84.3 | Confident | 75.2 | Confident | 166 Ų | 166 | 108.6 Ų | 108.6 | 63% | 0.629 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.1 | -43.2 | 176.7 | -178.7 | 85.3 | 0 | 0 | 0 | 112.1 | L259 V260 R266 N267 | L259-W263 VanDerWaalsContact O-CB 3.31Å; L259-W263 WeakPolarHBondContact O-CB 3.49Å; L259-W263 PolarHBondContact O-N 2.89Å; V260-W263 PolarHBondContact O-N 2.79Å; W263-R266 PolarHBondContact O-N 3.15Å; W263-N267 WeakPolarHBondContact CZ2-ND2 3.38Å; W263-N267 PolarHBondContact NE1-ND2 3.46Å; W263-N267 VanDerWaalsContact NE1-ND2 3.16Å; W263-N267 PolarHBondContact O-N 2.95Å |
| 264 | Y | 82.6 | Confident | 72.8 | Confident | 147 Ų | 147 | 111.6 Ų | 111.6 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.6 | -45.1 | 176.4 | -173.1 | -96.8 | 0 | 0 | 0 | 111.5 | V260 E261 R266 N267 V268 | V260-Y264 WeakPolarHBondContact O-CB 3.3Å; V260-Y264 PolarHBondContact O-N 3.11Å; E261-Y264 PolarHBondContact O-N 2.94Å; Y264-R266 PolarHBondContact O-N 2.85Å; Y264-N267 PolarHBondContact O-N 3.42Å; Y264-V268 HydrophobicContact CD1-CG2 4.33Å; Y264-V268 HydrophobicContact CD2-CG2 4.09Å; Y264-V268 HydrophobicContact CE1-CB 4.41Å; Y264-V268 HydrophobicContact CE1-CG2 4.02Å; Y264-V268 HydrophobicContact CE2-CG2 3.77Å; Y264-V268 HydrophobicContact CG-CG2 4.36Å; Y264-V268 WeakPolarHBondContact O-CB 3.09Å; Y264-V268 WeakPolarHBondContact O-CG2 3.48Å; Y264-V268 PolarHBondContact O-N 3.43Å |
| 265 | S | 78.4 | Confident | 70.4 | Confident | 82 Ų | 82 | 111.8 Ų | 111.8 | 57% | 0.573 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.1 | -27.7 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | E261 | E261-S265 WeakPolarHBondContact O-CB 3.44Å; E261-S265 PolarHBondContact O-N 3.23Å; E261-S265 PolarHBondContact O-OG 2.82Å |
| 266 | R | 69.6 | Low | 67.7 | Low | 215 Ų | 215 | 115.3 Ų | 115.3 | 81% | 0.811 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.8 | -32.2 | 179.2 | -161.1 | 174.8 | -174.6 | -169.9 | 0.2 | 112.9 | A262 W263 Y264 | A262-R266 WeakPolarHBondContact O-CB 3.29Å; A262-R266 PolarHBondContact O-N 2.75Å; A262-R266 VanDerWaalsContact O-N 3.16Å; W263-R266 PolarHBondContact O-N 3.15Å; Y264-R266 PolarHBondContact O-N 2.85Å |
| 267 | N | 68.4 | Low | 65.3 | Low | 93 Ų | 93 | 121.2 Ų | 121.2 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -93.1 | -21.4 | -178.2 | -72.2 | -10.4 | 0 | 0 | 0 | 113.6 | W263 Y264 S269 | W263-N267 WeakPolarHBondContact CZ2-ND2 3.38Å; W263-N267 PolarHBondContact NE1-ND2 3.46Å; W263-N267 VanDerWaalsContact NE1-ND2 3.16Å; W263-N267 PolarHBondContact O-N 2.95Å; Y264-N267 PolarHBondContact O-N 3.42Å; N267-S269 PolarHBondContact O-N 2.96Å |
| 268 | V | 57.1 | Low | 63.8 | Low | 77 Ų | 77 | 123.6 Ų | 123.6 | 47% | 0.467 | 67% | 0.666 | S | S | . | * | trans | -96.3 | 70.9 | 172.8 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | Y264 | Y264-V268 HydrophobicContact CD1-CG2 4.33Å; Y264-V268 HydrophobicContact CD2-CG2 4.09Å; Y264-V268 HydrophobicContact CE1-CB 4.41Å; Y264-V268 HydrophobicContact CE1-CG2 4.02Å; Y264-V268 HydrophobicContact CE2-CG2 3.77Å; Y264-V268 HydrophobicContact CG-CG2 4.36Å; Y264-V268 WeakPolarHBondContact O-CB 3.09Å; Y264-V268 WeakPolarHBondContact O-CG2 3.48Å; Y264-V268 PolarHBondContact O-N 3.43Å | ||
| 269 | S | 58.2 | Low | 61.7 | Low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | trans | -120.9 | 105.1 | 150.9 | -76.6 | 0 | 0 | 0 | 0 | 106.8 | N267 G271 | N267-S269 PolarHBondContact O-N 2.96Å; S269-G271 PolarHBondContact O-N 3.49Å | ||
| 270 | P | 48 | Very low | 60.3 | Low | 122 Ų | 122 | 131.1 Ų | 131.1 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | trans | -84.1 | 117.2 | 170.6 | 29.8 | -24.2 | 0 | 0 | 0 | 109.8 | ||||
| 271 | G | 45.2 | Very low | 58.7 | Low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | 29.9 | 120.4 | 134.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | S269 | S269-G271 PolarHBondContact O-N 3.49Š| ||
| 272 | E | 48 | Very low | 57.4 | Low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | -65.2 | 144.6 | 160.5 | -169.8 | 161.8 | 169.1 | 0 | 0 | 112.4 | ||||
| 273 | S | 39.6 | Very low | 55.9 | Low | 120 Ų | 120 | 137.9 Ų | 137.9 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -142.7 | 112.9 | 152.6 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 274 | E | 43.5 | Very low | 54.1 | Low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -61.4 | 162 | 169.6 | -67.7 | 176.7 | 97.2 | 0 | 0 | 114.1 | ||||
| 275 | A | 42.2 | Very low | 52.2 | Low | 90 Ų | 90 | 135.4 Ų | 135.4 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | 95.4 | 112.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 276 | F | 37.5 | Very low | 50.3 | Low | 184 Ų | 184 | 139.2 Ų | 139.2 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | 75.2 | 139.1 | 121.5 | -146.4 | -103.6 | 0 | 0 | 0 | 118.8 | |||||
| 277 | K | 41.9 | Very low | 48.9 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | cis | -176.4 | -145.7 | -2.1 | -173.3 | -177.4 | 167 | 177.2 | 0 | 106.8 | ||||
| 278 | P | 58.8 | Low | 47.2 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | -92.4 | 159.9 | -104.5 | 29.4 | -11.7 | 0 | 0 | 0 | 116.8 | |||||
| 279 | E | 46.8 | Very low | 46.3 | Very low | 271 Ų | 271 | 142.2 Ų | 142.2 | 100% | 1.266 | 81% | 0.807 | S | S | * | * | -175.7 | 0 | 105.7 | -119.6 | -173.7 | 132.9 | 0 | 0 | 109.6 |
Retrieved 279 of 279 residues in 188.1 ms
(Link to these results)