| 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 | 29.1 | Very low | 27.5 | Very low | 245 Ų | 245 | 180.3 Ų | 180.3 | 100% | 1.207 | 84% | 0.842 | S | S | * | * | 0 | 160.5 | 0 | -84.9 | 169.5 | -129.7 | 0 | 0 | 108.3 | |||||
| 2 | E | 29.3 | Very low | 27.3 | Very low | 191 Ų | 191 | 176.8 Ų | 176.8 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -66.7 | 150.1 | -173.3 | -57.8 | 175.1 | 124.8 | 0 | 0 | 112.2 | ||||
| 3 | P | 39.2 | Very low | 27.1 | Very low | 126 Ų | 126 | 178.6 Ų | 178.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -97.6 | 151.3 | 159.9 | 35.9 | -29.6 | 0 | 0 | 0 | 111.9 | ||||
| 4 | E | 27.9 | Very low | 27.2 | Very low | 184 Ų | 184 | 176.4 Ų | 176.4 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -95.7 | -150.3 | -178.4 | -59.1 | 174.5 | 84.4 | 0 | 0 | 112 | ||||
| 5 | E | 27.3 | Very low | 26.9 | Very low | 181 Ų | 181 | 181.7 Ų | 181.7 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | 74.2 | 143.5 | 159.9 | -64.9 | -176.8 | 175.1 | 0 | 0 | 119.3 | ||||
| 6 | E | 23.9 | Very low | 27.4 | Very low | 170 Ų | 170 | 174.8 Ų | 174.8 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | cis | -156.9 | 175.4 | -31.2 | -134.9 | -157.2 | 166.8 | 0 | 0 | 110.6 | ||||
| 7 | R | 31.7 | Very low | 27.2 | Very low | 237 Ų | 237 | 172.9 Ų | 172.9 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | trans | -118.3 | 101.3 | -177.1 | -76.9 | 171.8 | 119.5 | -166.6 | 6.8 | 114 | ||||
| 8 | I | 23.8 | Very low | 26.9 | Very low | 137 Ų | 137 | 173.2 Ų | 173.2 | 70% | 0.703 | 83% | 0.827 | S | S | * | * | trans | -135.7 | 106 | 163.9 | -63.6 | -170.9 | 0 | 0 | 0 | 115 | ||||
| 9 | R | 23.3 | Very low | 27.2 | Very low | 209 Ų | 209 | 176.5 Ų | 176.5 | 79% | 0.789 | 83% | 0.831 | S | S | * | * | trans | 46.1 | 146.9 | 134.8 | -54.4 | 178.4 | 178.5 | 171.5 | -1.3 | 125.1 | ||||
| 10 | Y | 24.1 | Very low | 27.1 | Very low | 214 Ų | 214 | 179.8 Ų | 179.8 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | 70.9 | 134.8 | 145.3 | -78.7 | -51.3 | 0 | 0 | 0 | 119.1 | ||||
| 11 | S | 22.9 | Very low | 27.2 | Very low | 89 Ų | 89 | 182.2 Ų | 182.2 | 62% | 0.622 | 84% | 0.837 | S | S | * | * | cis | 177.6 | 174.2 | 19.2 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 12 | Q | 24.9 | Very low | 27.2 | Very low | 138 Ų | 138 | 181.7 Ų | 181.7 | 65% | 0.645 | 82% | 0.823 | S | S | * | * | trans | 66.8 | 118.8 | 148.3 | -74.6 | -170.8 | 65.9 | 0 | 0 | 125.2 | ||||
| 13 | R | 24.5 | Very low | 27 | Very low | 201 Ų | 201 | 180.9 Ų | 180.9 | 76% | 0.758 | 82% | 0.819 | S | S | * | * | 72.5 | 115.6 | 124.1 | -70.2 | -176.2 | 174.3 | 154.8 | -13.9 | 123.6 | |||||
| 14 | L | 28.8 | Very low | 26.8 | Very low | 148 Ų | 148 | 182.3 Ų | 182.3 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | 49.3 | 105.8 | 119.3 | -62.8 | 168.5 | 0 | 0 | 0 | 120.5 | |||||
| 15 | R | 23.4 | Very low | 26.9 | Very low | 255 Ų | 255 | 180.6 Ų | 180.6 | 96% | 0.962 | 82% | 0.817 | S | S | * | * | 178.7 | 164.8 | 102.2 | -94.7 | 167.6 | -175.7 | -163.7 | 0.2 | 109.9 | |||||
| 16 | G | 33.9 | Very low | 27.3 | Very low | 71 Ų | 71 | 175.2 Ų | 175.2 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -132.9 | 173.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 17 | T | 23.6 | Very low | 27.6 | Very low | 144 Ų | 144 | 172.3 Ų | 172.3 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -144.8 | 132.7 | -172.7 | -19.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 18 | M | 23.3 | Very low | 27.9 | Very low | 177 Ų | 177 | 164.1 Ų | 164.1 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 33.5 | 122.7 | 150.7 | -144.9 | 66.9 | 154.5 | 0 | 0 | 121 | ||||
| 19 | R | 31.1 | Very low | 28.6 | Very low | 236 Ų | 236 | 163.2 Ų | 163.2 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137.9 | 158.2 | -69.8 | 171.5 | 167.7 | 166.7 | -7.7 | 110.7 | ||
| 20 | R | 26.8 | Very low | 29.3 | Very low | 242 Ų | 242 | 158.3 Ų | 158.3 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 142.8 | 145.1 | -82.8 | -174.2 | 170.5 | 174 | -3.1 | 108.9 | ||
| 21 | R | 28.2 | Very low | 30.1 | Very low | 231 Ų | 231 | 153.7 Ų | 153.7 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 140.1 | 167.1 | -64.5 | 176.8 | -179.4 | 164.6 | -1.7 | 107.7 | ||
| 22 | Y | 28.7 | Very low | 31 | Very low | 234 Ų | 234 | 154.4 Ų | 154.4 | 92% | 0.918 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -87 | 149.5 | 141.9 | -87.2 | -96 | 0 | 0 | 0 | 107.2 | ||
| 23 | E | 26.1 | Very low | 31.9 | Very low | 174 Ų | 174 | 154.5 Ų | 154.5 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 158.3 | -179.2 | -63.3 | -173.3 | 127.9 | 0 | 0 | 110.5 | D25 | E23-D25 PolarHBondContact O-N 3.08Å; E23-D25 VanDerWaalsContact O-N 3.08Å |
| 24 | D | 34.1 | Very low | 32.9 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | -86.9 | 74.8 | -167.3 | -169.5 | 19.4 | 0 | 0 | 0 | 110.4 | G26 | D24-G26 PolarHBondContact O-N 3.34Š| ||
| 25 | D | 30.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | -67.7 | 79 | 168.2 | -77.6 | -27.6 | 0 | 0 | 0 | 108.9 | E23 I27 | E23-D25 PolarHBondContact O-N 3.08Å; E23-D25 VanDerWaalsContact O-N 3.08Å; D25-I27 PolarHBondContact O-N 2.83Å | ||
| 26 | G | 36.4 | Very low | 36.8 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -69 | 54.9 | -164 | 0 | 0 | 0 | 0 | 0 | 116.8 | D24 | D24-G26 PolarHBondContact O-N 3.34Š| ||
| 27 | I | 30 | Very low | 39.3 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 56% | 0.559 | 68% | 0.679 | S | S | * | * | trans | -76.5 | 122.7 | 168.1 | -56.9 | 174.4 | 0 | 0 | 0 | 108 | D25 E31 | D25-I27 PolarHBondContact O-N 2.83Å; I27-E31 HydrophobicContact CG2-CB 4.49Å | ||
| 28 | S | 37.3 | Very low | 42.4 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 45% | 0.448 | 64% | 0.641 | S | S | . | * | trans | -79.8 | 140.8 | 177.8 | 73.4 | 0 | 0 | 0 | 0 | 111.9 | D30 E31 | S28-D30 PolarHBondContact O-N 2.73Å; S28-E31 PolarHBondContact O-N 3.17Å | ||
| 29 | D | 39.3 | Very low | 45.7 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -51.1 | -27.7 | 176.6 | -66.3 | -39.4 | 0 | 0 | 0 | 114.1 | E31 I32 E33 | D29-E31 PolarHBondContact O-N 2.74Å; D29-I32 WeakPolarHBondContact O-CB 3.41Å; D29-I32 PolarHBondContact O-N 2.72Å; D29-E33 PolarHBondContact O-N 3.46Å |
| 30 | D | 38 | Very low | 48.7 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 57% | 0.567 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -69.8 | -7.4 | 178.4 | -64.1 | -58 | 0 | 0 | 0 | 113.2 | S28 K918 | S28-D30 PolarHBondContact O-N 2.73Å; D30-K918 IonicContact OD1-NZ 3.2Å; D30-K918 PolarHBondContact OD1-NZ 3.24Å; D30-K918 IonicContact OD2-NZ 3.73Å; D30-K918 PolarHBondContact OD2-NZ 3.13Å |
| 31 | E | 39.8 | Very low | 51.8 | Low | 117 Ų | 117 | 110.6 Ų | 110.6 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -92.7 | -7.6 | 166.4 | -62.8 | -160.9 | 150.6 | 0 | 0 | 113.8 | I27 S28 D29 | I27-E31 HydrophobicContact CG2-CB 4.49Å; S28-E31 PolarHBondContact O-N 3.17Å; D29-E31 PolarHBondContact O-N 2.74Å |
| 32 | I | 42.2 | Very low | 55 | Low | 104 Ų | 104 | 103.1 Ų | 103.1 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -32.3 | -178.8 | -53.6 | 179.1 | 0 | 0 | 0 | 111.1 | D29 G34 K35 | D29-I32 WeakPolarHBondContact O-CB 3.41Å; D29-I32 PolarHBondContact O-N 2.72Å; I32-G34 PolarHBondContact O-N 2.84Å; I32-K35 PolarHBondContact O-N 2.79Å |
| 33 | E | 43.6 | Very low | 58.2 | Low | 140 Ų | 140 | 92.5 Ų | 92.5 | 65% | 0.654 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 30.6 | 179.7 | -146.5 | -174.2 | -137.1 | 0 | 0 | 113.9 | D29 K922 | D29-E33 PolarHBondContact O-N 3.46Å; E33-K922 IonicContact OE1-NZ 2.95Å; E33-K922 PolarHBondContact OE1-NZ 2.8Å |
| 34 | G | 45.3 | Very low | 61.6 | Low | 34 Ų | 34 | 85.2 Ų | 85.2 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -177.5 | 17.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | I32 | I32-G34 PolarHBondContact O-N 2.84Š|
| 35 | K | 56.2 | Low | 64.4 | Low | 131 Ų | 131 | 84.5 Ų | 84.5 | 57% | 0.57 | 45% | 0.451 | S | S | * | . | trans | -91.7 | 127.5 | 170.1 | -91.8 | 176.1 | 176.4 | 167.8 | 0 | 110.4 | I32 T37 | I32-K35 PolarHBondContact O-N 2.79Å; K35-T37 PolarHBondContact O-N 2.95Å | ||
| 36 | R | 77.9 | Confident | 67.5 | Low | 76 Ų | 76 | 79.2 Ų | 79.2 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | trans | -63.1 | 124.1 | 168 | -168.8 | -172.5 | -57.9 | 157.5 | 7.8 | 108.5 | F38 G254 | R36-F38 VanDerWaalsContact CD-CE2 3.46Å; R36-F38 HydrophobicContact CG-CD1 3.91Å; R36-F38 HydrophobicContact CG-CD2 4.06Å; R36-F38 HydrophobicContact CG-CE1 3.65Å; R36-F38 HydrophobicContact CG-CE2 3.8Å; R36-F38 HydrophobicContact CG-CG 4.12Å; R36-F38 HydrophobicContact CG-CZ 3.6Å; R36-G254 WeakPolarHBondContact CA-O 3.38Å | ||
| 37 | T | 86.5 | Confident | 70.3 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 60% | 0.601 | 42% | 0.424 | S | S | * | . | trans | -95.2 | -19.4 | -175.1 | 73.9 | 0 | 0 | 0 | 0 | 113.4 | K35 G254 D255 | K35-T37 PolarHBondContact O-N 2.95Å; T37-G254 PolarHBondContact N-O 2.88Å; T37-D255 WeakPolarHBondContact OG1-CA 3.43Å; T37-D255 PolarHBondContact OG1-O 2.85Å | ||
| 38 | F | 90 | Very high | 73.4 | Confident | 21 Ų | 21 | 81.3 Ų | 81.3 | 9% | 0.092 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -81.7 | 140.2 | 170.9 | 62.9 | -99.5 | 0 | 0 | 0 | 110.8 | R36 L40 Y208 G254 F257 | R36-F38 VanDerWaalsContact CD-CE2 3.46Å; R36-F38 HydrophobicContact CG-CD1 3.91Å; R36-F38 HydrophobicContact CG-CD2 4.06Å; R36-F38 HydrophobicContact CG-CE1 3.65Å; R36-F38 HydrophobicContact CG-CE2 3.8Å; R36-F38 HydrophobicContact CG-CG 4.12Å; R36-F38 HydrophobicContact CG-CZ 3.6Å; F38-L40 HydrophobicContact CE2-CD1 4.23Å; F38-Y208 HydrophobicContact CZ-CE1 4.18Å; F38-G254 WeakPolarHBondContact CD1-O 3.5Å; F38-F257 HydrophobicContact CB-CB 4.38Å; F38-F257 HydrophobicContact CD1-CB 4.08Å; F38-F257 HydrophobicContact CD2-CB 3.98Å; F38-F257 AromaticContact CD2-CD2 3.85Å; F38-F257 HydrophobicContact CD2-CD2 3.85Å; F38-F257 HydrophobicContact CD2-CG 4.32Å; F38-F257 HydrophobicContact CE1-CB 4.28Å; F38-F257 HydrophobicContact CE2-CB 4.21Å; F38-F257 AromaticContact CE2-CD2 3.42Å; F38-F257 HydrophobicContact CE2-CD2 3.42Å; F38-F257 VanDerWaalsContact CE2-CD2 3.42Å; F38-F257 HydrophobicContact CE2-CE2 4.24Å; F38-F257 HydrophobicContact CE2-CG 4.27Å; F38-F257 HydrophobicContact CG-CB 3.91Å; F38-F257 HydrophobicContact CZ-CB 4.34Å; F38-F257 AromaticContact CZ-CD2 3.81Å; F38-F257 HydrophobicContact CZ-CD2 3.81Å |
| 39 | D | 92.4 | Very high | 76.2 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | trans | -72.4 | 129.1 | 172.7 | -176.4 | 11 | 0 | 0 | 0 | 110.3 | E41 E42 K43 | D39-E41 PolarHBondContact OD1-N 3.04Å; D39-E42 HydrophobicContact CB-CB 4.03Å; D39-E42 PolarHBondContact OD2-N 3.22Å; D39-K43 VanDerWaalsContact O-CD 3.28Å; D39-K43 WeakPolarHBondContact O-CD 3.28Å; D39-K43 VanDerWaalsContact O-CG 3.28Å; D39-K43 WeakPolarHBondContact O-CG 3.21Å | ||
| 40 | L | 92.9 | Very high | 78.9 | Confident | 11 Ų | 11 | 79.1 Ų | 79.1 | 6% | 0.058 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -83.8 | -31.3 | 176 | -165.8 | 79.7 | 0 | 0 | 0 | 111.6 | F38 K43 L44 Y208 W232 Y287 | F38-L40 HydrophobicContact CE2-CD1 4.23Å; L40-K43 CarbonylContact O-C 3.41Å; L40-K43 WeakPolarHBondContact O-CA 3.42Å; L40-K43 WeakPolarHBondContact O-CB 3.01Å; L40-K43 PolarHBondContact O-N 3.27Å; L40-L44 HydrophobicContact CD2-CD1 4.06Å; L40-L44 HydrophobicContact CG-CD1 4.08Å; L40-L44 HydrophobicContact CG-CG 4.42Å; L40-L44 WeakPolarHBondContact O-CG 3.41Å; L40-L44 PolarHBondContact O-N 3.05Å; L40-Y208 HydrophobicContact CD1-CD1 4.5Å; L40-Y208 HydrophobicContact CD1-CD2 3.56Å; L40-Y208 HydrophobicContact CD1-CE2 3.62Å; L40-Y208 HydrophobicContact CD1-CG 4.02Å; L40-Y208 HydrophobicContact CD2-CD2 4.28Å; L40-Y208 HydrophobicContact CD2-CG 4.37Å; L40-W232 HydrophobicContact CD1-CH2 4.24Å; L40-Y287 HydrophobicContact CD2-CD2 3.52Å; L40-Y287 HydrophobicContact CD2-CE2 3.73Å; L40-Y287 HydrophobicContact CD2-CG 4.33Å |
| 41 | E | 93.3 | Very high | 81.8 | Confident | 90 Ų | 90 | 74.6 Ų | 74.6 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.5 | -37.7 | -178 | -56.5 | -54.8 | 131.1 | 0 | 0 | 110.3 | D39 K43 L44 H45 | D39-E41 PolarHBondContact OD1-N 3.04Å; E41-K43 VanDerWaalsContact C-N 3.29Å; E41-K43 PolarHBondContact O-N 3.32Å; E41-L44 PolarHBondContact O-N 3.49Å; E41-H45 PolarHBondContact O-CD2 3.44Å; E41-H45 VanDerWaalsContact O-CD2 3.31Å; E41-H45 PolarHBondContact O-N 3.29Å |
| 42 | E | 95.5 | Very high | 84.5 | Confident | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -51.2 | -48.9 | 163.1 | -175.1 | -128.2 | 121.8 | 0 | 0 | 111.1 | D39 L44 H45 T46 K48 | D39-E42 HydrophobicContact CB-CB 4.03Å; D39-E42 PolarHBondContact OD2-N 3.22Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 3.35Å; E42-H45 PolarHBondContact O-N 3.34Å; E42-T46 WeakPolarHBondContact O-CB 3.38Å; E42-T46 WeakPolarHBondContact O-CG2 3.48Å; E42-T46 PolarHBondContact O-N 2.96Å; E42-K48 IonicContact OE1-NZ 2.72Å; E42-K48 PolarHBondContact OE1-NZ 2.92Å |
| 43 | K | 96.2 | Very high | 87.1 | Confident | 11 Ų | 11 | 73.2 Ų | 73.2 | 5% | 0.048 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.9 | -22.8 | -177.3 | -64.1 | -1.3 | 176.7 | 172.5 | 0 | 112.6 | D39 L40 E41 Y49 W232 F257 D260 R267 | D39-K43 VanDerWaalsContact O-CD 3.28Å; D39-K43 WeakPolarHBondContact O-CD 3.28Å; D39-K43 VanDerWaalsContact O-CG 3.28Å; D39-K43 WeakPolarHBondContact O-CG 3.21Å; L40-K43 CarbonylContact O-C 3.41Å; L40-K43 WeakPolarHBondContact O-CA 3.42Å; L40-K43 WeakPolarHBondContact O-CB 3.01Å; L40-K43 PolarHBondContact O-N 3.27Å; E41-K43 VanDerWaalsContact C-N 3.29Å; E41-K43 PolarHBondContact O-N 3.32Å; K43-Y49 HydrophobicContact CB-CE2 4.13Å; K43-Y49 WeakPolarHBondContact CD-OH 3.44Å; K43-Y49 WeakPolarHBondContact O-CE2 3.5Å; K43-W232 HydrophobicContact CB-CZ2 4.01Å; K43-W232 WeakPolarHBondContact O-CZ2 3.14Å; K43-W232 PolarHBondContact O-NE1 2.86Å; K43-F257 HydrophobicContact CB-CE1 4.48Å; K43-F257 HydrophobicContact CB-CE2 4.2Å; K43-F257 HydrophobicContact CB-CZ 4.11Å; K43-F257 HydrophobicContact CG-CD1 3.98Å; K43-F257 HydrophobicContact CG-CD2 3.83Å; K43-F257 HydrophobicContact CG-CE1 4.02Å; K43-F257 HydrophobicContact CG-CE2 3.85Å; K43-F257 HydrophobicContact CG-CG 3.89Å; K43-F257 HydrophobicContact CG-CZ 3.94Å; K43-D260 WeakPolarHBondContact CE-OD2 3.15Å; K43-D260 IonicContact NZ-OD2 2.79Å; K43-D260 PolarHBondContact NZ-OD2 3.21Å; K43-R267 PolarHBondContact O-NH1 2.97Å |
| 44 | L | 95.9 | Very high | 89.7 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -84 | -29.6 | 177.2 | -76.2 | 165.1 | 0 | 0 | 0 | 113.1 | L40 E41 E42 V230 W232 R267 Y287 | L40-L44 HydrophobicContact CD2-CD1 4.06Å; L40-L44 HydrophobicContact CG-CD1 4.08Å; L40-L44 HydrophobicContact CG-CG 4.42Å; L40-L44 WeakPolarHBondContact O-CG 3.41Å; L40-L44 PolarHBondContact O-N 3.05Å; E41-L44 PolarHBondContact O-N 3.49Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 3.35Å; L44-V230 HydrophobicContact CD2-CB 4.31Å; L44-V230 HydrophobicContact CD2-CG1 4.08Å; L44-V230 HydrophobicContact CD2-CG2 4.43Å; L44-W232 HydrophobicContact CD2-CH2 3.58Å; L44-W232 HydrophobicContact CD2-CZ2 3.84Å; L44-W232 HydrophobicContact CG-CH2 4.06Å; L44-W232 HydrophobicContact CG-CZ2 4.13Å; L44-R267 VanDerWaalsContact C-NH1 3.34Å; L44-R267 PolarHBondContact O-NE 3Å; L44-R267 PolarHBondContact O-NH1 3.29Å; L44-R267 PolarHBondContact O-NH2 3.33Å; L44-Y287 HydrophobicContact CD1-CD1 3.74Å; L44-Y287 HydrophobicContact CD1-CD2 4.27Å; L44-Y287 HydrophobicContact CD1-CE1 3.48Å; L44-Y287 VanDerWaalsContact CD1-CE1 3.48Å; L44-Y287 HydrophobicContact CD1-CE2 4.05Å; L44-Y287 HydrophobicContact CD1-CG 4.09Å; L44-Y287 HydrophobicContact CD2-CD1 3.35Å; L44-Y287 HydrophobicContact CD2-CE1 3.85Å; L44-Y287 HydrophobicContact CD2-CG 3.86Å; L44-Y287 HydrophobicContact CG-CD1 4.2Å; L44-Y287 HydrophobicContact CG-CE1 4.34Å |
| 45 | H | 94.2 | Very high | 92.3 | Very high | 141 Ų | 141 | 68.2 Ų | 68.2 | 65% | 0.653 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -107.2 | -21.9 | -175.6 | -66.8 | -55.5 | 0 | 0 | 0 | 115.2 | E41 E42 | E41-H45 PolarHBondContact O-CD2 3.44Å; E41-H45 VanDerWaalsContact O-CD2 3.31Å; E41-H45 PolarHBondContact O-N 3.29Å; E42-H45 PolarHBondContact O-N 3.34Å |
| 46 | T | 95.3 | Very high | 94.2 | Very high | 38 Ų | 38 | 66.9 Ų | 66.9 | 23% | 0.233 | 34% | 0.337 | C | S | . | . | trans | -61.1 | 144.3 | 176.5 | -174 | 0 | 0 | 0 | 0 | 112.4 | E42 K48 Y49 R267 | E42-T46 WeakPolarHBondContact O-CB 3.38Å; E42-T46 WeakPolarHBondContact O-CG2 3.48Å; E42-T46 PolarHBondContact O-N 2.96Å; T46-K48 HydrophobicContact CG2-CD 3.94Å; T46-K48 HydrophobicContact CG2-CG 3.81Å; T46-K48 PolarHBondContact OG1-N 3.23Å; T46-Y49 HydrophobicContact CG2-CD2 3.85Å; T46-Y49 HydrophobicContact CG2-CE2 3.49Å; T46-Y49 VanDerWaalsContact CG2-CE2 3.49Å; T46-R267 VanDerWaalsContact O-CZ 3.22Å; T46-R267 PolarHBondContact O-NH1 2.94Å; T46-R267 PolarHBondContact O-NH2 3.17Å | ||
| 47 | N | 94.1 | Very high | 95 | Very high | 133 Ų | 133 | 64.8 Ų | 64.8 | 71% | 0.711 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -94.8 | 10.2 | 176.8 | -71.7 | -25.8 | 0 | 0 | 0 | 113.6 | Y49 | N47-Y49 VanDerWaalsContact C-N 3.26Å; N47-Y49 PolarHBondContact O-N 3.27Å |
| 48 | K | 95.2 | Very high | 95.5 | Very high | 89 Ų | 89 | 65 Ų | 65 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | trans | -71.5 | -11.1 | -178.4 | 80.3 | -164.2 | -175.9 | -174.4 | 0 | 115.3 | E42 T46 N50 D260 | E42-K48 IonicContact OE1-NZ 2.72Å; E42-K48 PolarHBondContact OE1-NZ 2.92Å; T46-K48 HydrophobicContact CG2-CD 3.94Å; T46-K48 HydrophobicContact CG2-CG 3.81Å; T46-K48 PolarHBondContact OG1-N 3.23Å; K48-N50 PolarHBondContact O-N 3.26Å; K48-D260 WeakPolarHBondContact CE-OD1 3.49Å; K48-D260 IonicContact NZ-OD1 2.84Å; K48-D260 PolarHBondContact NZ-OD1 3.45Å; K48-D260 IonicContact NZ-OD2 3.58Å; K48-D260 PolarHBondContact NZ-OD2 3.47Å | ||
| 49 | Y | 97.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 64 Ų | 64 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -99.3 | 56 | 178.7 | -50.4 | -56.6 | 0 | 0 | 0 | 111.2 | K43 T46 N47 W232 F257 D260 C265 R267 | K43-Y49 HydrophobicContact CB-CE2 4.13Å; K43-Y49 WeakPolarHBondContact CD-OH 3.44Å; K43-Y49 WeakPolarHBondContact O-CE2 3.5Å; T46-Y49 HydrophobicContact CG2-CD2 3.85Å; T46-Y49 HydrophobicContact CG2-CE2 3.49Å; T46-Y49 VanDerWaalsContact CG2-CE2 3.49Å; N47-Y49 VanDerWaalsContact C-N 3.26Å; N47-Y49 PolarHBondContact O-N 3.27Å; Y49-W232 AromaticContact CD2-CD1 3.62Å; Y49-W232 AromaticContact CD2-NE1 3.38Å; Y49-W232 AromaticContact CE2-CD1 3.83Å; Y49-W232 AromaticContact CE2-NE1 3.36Å; Y49-W232 AromaticContact CG-CD1 3.96Å; Y49-F257 AromaticContact CE1-CE1 3.95Å; Y49-F257 HydrophobicContact CE1-CE1 3.95Å; Y49-F257 HydrophobicContact CE2-CE1 4.17Å; Y49-F257 AromaticContact CZ-CE1 3.48Å; Y49-F257 VanDerWaalsContact CZ-CE1 3.48Å; Y49-F257 VanDerWaalsContact OH-CD1 3.31Å; Y49-F257 WeakPolarHBondContact OH-CD1 3.31Å; Y49-F257 WeakPolarHBondContact OH-CE1 3.41Å; Y49-D260 VanDerWaalsContact CE1-OD1 3.31Å; Y49-D260 WeakPolarHBondContact CE1-OD1 3.46Å; Y49-D260 VanDerWaalsContact CZ-OD1 3.31Å; Y49-D260 PolarHBondContact OH-OD1 3.36Å; Y49-C265 CarbonylContact C-O 3.59Å; Y49-C265 WeakPolarHBondContact CA-O 3.46Å; Y49-C265 WeakPolarHBondContact CB-O 3.41Å; Y49-C265 HydrophobicContact CD1-CB 4.06Å; Y49-R267 HydrophobicContact CD2-CB 4.14Å; Y49-R267 HydrophobicContact CG-CB 4.33Å; Y49-R267 PolarHBondContact O-N 2.88Å | ||
| 50 | N | 96.4 | Very high | 95.9 | Very high | 124 Ų | 124 | 65.6 Ų | 65.6 | 66% | 0.663 | 32% | 0.324 | S | S | * | . | B | Isolated β-bridge | trans | -101.6 | 11.8 | -168.3 | 63.5 | -19.2 | 0 | 0 | 0 | 114.6 | K48 | K48-N50 PolarHBondContact O-N 3.26Å |
| 51 | A | 97.3 | Very high | 96 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | trans | -60.5 | 152.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F53 D264 C265 Q266 | A51-F53 HydrophobicContact CB-CD2 4.29Å; A51-F53 HydrophobicContact CB-CE1 4.16Å; A51-F53 HydrophobicContact CB-CE2 3.67Å; A51-F53 HydrophobicContact CB-CZ 3.6Å; A51-D264 HydrophobicContact CB-CB 4.08Å; A51-C265 PolarHBondContact N-O 2.88Å; A51-Q266 HydrophobicContact CB-CB 4.3Å; A51-Q266 WeakPolarHBondContact O-CB 3.49Å; A51-Q266 WeakPolarHBondContact O-CG 3.1Å; A51-Q266 PolarHBondContact O-NE2 2.94Å; A51-Q266 VanDerWaalsContact O-NE2 3.13Å | ||
| 52 | N | 96.7 | Very high | 96.2 | Very high | 147 Ų | 147 | 64.2 Ų | 64.2 | 79% | 0.786 | 32% | 0.32 | S | S | * | . | trans | -118.9 | 77.6 | -174.5 | -70.5 | -53.6 | 0 | 0 | 0 | 111.5 | ||||
| 53 | F | 97.7 | Very high | 96.3 | Very high | 45 Ų | 45 | 63.6 Ų | 63.6 | 20% | 0.197 | 32% | 0.319 | C | S | . | . | trans | -92.8 | -34.3 | 177.8 | -53.2 | -51.7 | 0 | 0 | 0 | 113.2 | A51 T55 L233 P235 D264 Q266 W282 | A51-F53 HydrophobicContact CB-CD2 4.29Å; A51-F53 HydrophobicContact CB-CE1 4.16Å; A51-F53 HydrophobicContact CB-CE2 3.67Å; A51-F53 HydrophobicContact CB-CZ 3.6Å; F53-T55 PolarHBondContact O-N 2.95Å; F53-L233 HydrophobicContact CD2-CB 4.46Å; F53-P235 HydrophobicContact CE1-CG 3.93Å; F53-P235 HydrophobicContact CE2-CG 4.29Å; F53-P235 VanDerWaalsContact CZ-CD 3.49Å; F53-P235 HydrophobicContact CZ-CG 3.7Å; F53-D264 HydrophobicContact CE1-CB 4.42Å; F53-D264 HydrophobicContact CZ-CB 3.71Å; F53-Q266 HydrophobicContact CD2-CB 3.61Å; F53-Q266 HydrophobicContact CE2-CB 4.04Å; F53-W282 HydrophobicContact CB-CH2 3.56Å; F53-W282 HydrophobicContact CB-CZ3 3.9Å; F53-W282 HydrophobicContact CD1-CH2 4Å; F53-W282 AromaticContact CD2-CH2 3.99Å; F53-W282 HydrophobicContact CD2-CH2 3.99Å; F53-W282 AromaticContact CD2-CZ3 3.69Å; F53-W282 HydrophobicContact CD2-CZ3 3.69Å; F53-W282 HydrophobicContact CE2-CZ3 4.33Å; F53-W282 AromaticContact CG-CH2 3.59Å; F53-W282 HydrophobicContact CG-CH2 3.59Å; F53-W282 AromaticContact CG-CZ3 3.79Å; F53-W282 HydrophobicContact CG-CZ3 3.79Å | ||
| 54 | V | 98.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 63.4 Ų | 63.4 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 120.5 | -172.2 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | F56 P75 I77 L233 Q266 I268 F276 | V54-F56 HydrophobicContact CG1-CE2 4.44Å; V54-P75 CarbonylContact C-O 3.6Å; V54-P75 WeakPolarHBondContact CA-O 3.36Å; V54-P75 HydrophobicContact CG2-CB 3.97Å; V54-I77 HydrophobicContact CG1-CB 4.08Å; V54-I77 HydrophobicContact CG1-CD1 3.74Å; V54-I77 HydrophobicContact CG1-CG1 3.66Å; V54-L233 HydrophobicContact CG2-CD1 3.39Å; V54-Q266 VanDerWaalsContact CG2-OE1 3.27Å; V54-I268 HydrophobicContact CB-CD1 3.81Å; V54-I268 HydrophobicContact CG1-CD1 3.83Å; V54-I268 HydrophobicContact CG2-CD1 3.79Å; V54-I268 HydrophobicContact CG2-CG2 4.41Å; V54-F276 HydrophobicContact CG2-CE2 4.2Å |
| 55 | T | 98.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.5 | 168.5 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | F53 M57 P75 L76 I77 | F53-T55 PolarHBondContact O-N 2.95Å; T55-M57 HydrophobicContact CG2-CE 4.27Å; T55-P75 PolarHBondContact N-O 2.97Å; T55-L76 HydrophobicContact CG2-CD2 4.43Å; T55-L76 CarbonylContact O-C 3.6Å; T55-L76 WeakPolarHBondContact O-CA 3.31Å; T55-I77 PolarHBondContact O-N 3.34Å |
| 56 | F | 97.7 | Very high | 96.5 | Very high | 103 Ų | 103 | 61 Ų | 61 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.4 | 168.6 | -67.9 | -86.1 | 0 | 0 | 0 | 109.6 | V54 I77 K79 I268 | V54-F56 HydrophobicContact CG1-CE2 4.44Å; F56-I77 WeakPolarHBondContact CA-O 3.11Å; F56-I77 HydrophobicContact CD1-CB 3.7Å; F56-I77 HydrophobicContact CD1-CG2 3.73Å; F56-I77 HydrophobicContact CE1-CB 3.74Å; F56-I77 HydrophobicContact CE1-CD1 3.95Å; F56-I77 HydrophobicContact CE1-CG1 4.42Å; F56-I77 HydrophobicContact CE1-CG2 3.65Å; F56-I77 HydrophobicContact CZ-CD1 4.28Å; F56-K79 HydrophobicContact CD1-CD 4.39Å; F56-K79 HydrophobicContact CD1-CG 4.21Å; F56-K79 VanDerWaalsContact CE1-CE 3.5Å; F56-I268 HydrophobicContact CZ-CD1 4.03Å |
| 57 | M | 94.7 | Very high | 96.6 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | trans | -148 | 163.7 | -177.8 | 46.1 | 159.9 | 56.7 | 0 | 0 | 112.4 | T55 F62 Y66 L76 I77 F78 | T55-M57 HydrophobicContact CG2-CE 4.27Å; M57-F62 HydrophobicContact SD-CB 4.01Å; M57-F62 HydrophobicContact SD-CD2 4.26Å; M57-Y66 HydrophobicContact CE-CD1 4.45Å; M57-Y66 HydrophobicContact CE-CD2 4.05Å; M57-Y66 HydrophobicContact CE-CE1 4.08Å; M57-Y66 HydrophobicContact CE-CE2 3.64Å; M57-Y66 HydrophobicContact CE-CG 4.46Å; M57-L76 HydrophobicContact CE-CD2 4.21Å; M57-L76 HydrophobicContact SD-CB 4.36Å; M57-L76 HydrophobicContact SD-CD1 3.94Å; M57-L76 HydrophobicContact SD-CD2 4.3Å; M57-L76 HydrophobicContact SD-CG 4.43Å; M57-I77 PolarHBondContact N-O 3.21Å; M57-F78 HydrophobicContact CB-CE1 4.36Å; M57-F78 HydrophobicContact CG-CD1 4.08Å; M57-F78 HydrophobicContact CG-CE1 3.44Å; M57-F78 VanDerWaalsContact CG-CE1 3.44Å; M57-F78 HydrophobicContact CG-CZ 3.84Å; M57-F78 VanDerWaalsContact O-CD1 3.29Å; M57-F78 WeakPolarHBondContact O-CD1 3.31Å; M57-F78 HydrophobicContact SD-CE1 3.43Å; M57-F78 WeakPolarHBondContact SD-CE1 3.39Å; M57-F78 HydrophobicContact SD-CZ 3.46Å; M57-F78 WeakPolarHBondContact SD-CZ 3.33Å | ||
| 58 | E | 96.1 | Very high | 96.7 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | trans | -90.5 | 145.9 | 175.2 | -54.4 | -169.1 | 141.7 | 0 | 0 | 110.2 | K60 D61 | E58-K60 HydrophobicContact CB-CG 4.08Å; E58-K60 PolarHBondContact O-N 2.9Å; E58-K60 WeakPolarHBondContact OE2-CE 3.45Å; E58-K60 IonicContact OE2-NZ 3.77Å; E58-K60 PolarHBondContact OE2-NZ 3.45Å; E58-D61 PolarHBondContact O-N 3.3Å | ||
| 59 | G | 94.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | D61 D82 G83 | G59-D61 VanDerWaalsContact C-N 3.34Å; G59-D82 WeakPolarHBondContact CA-O 3.48Å; G59-D82 PolarHBondContact N-O 2.97Å; G59-G83 CarbonylContact O-C 3.57Å |
| 60 | K | 95.4 | Very high | 96.5 | Very high | 122 Ų | 122 | 57.2 Ų | 57.2 | 53% | 0.53 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -28.7 | 171.9 | 51.8 | 157.6 | -163.3 | -153.3 | 0 | 113.4 | E58 N63 | E58-K60 HydrophobicContact CB-CG 4.08Å; E58-K60 PolarHBondContact O-N 2.9Å; E58-K60 WeakPolarHBondContact OE2-CE 3.45Å; E58-K60 IonicContact OE2-NZ 3.77Å; E58-K60 PolarHBondContact OE2-NZ 3.45Å; K60-N63 PolarHBondContact O-ND2 3.21Å |
| 61 | D | 96.6 | Very high | 96.5 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -21.9 | -173.6 | -54.7 | -42.4 | 0 | 0 | 0 | 110.7 | E58 G59 N63 Y66 | E58-D61 PolarHBondContact O-N 3.3Å; G59-D61 VanDerWaalsContact C-N 3.34Å; D61-N63 PolarHBondContact O-N 2.97Å; D61-N63 PolarHBondContact O-ND2 3.18Å; D61-Y66 WeakPolarHBondContact O-CB 3.44Å |
| 62 | F | 97.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | trans | -77 | 72.6 | 170.1 | -174.1 | -112.5 | 0 | 0 | 0 | 111.4 | M57 Y66 I67 L72 L76 F78 L84 P160 T162 V163 V277 | M57-F62 HydrophobicContact SD-CB 4.01Å; M57-F62 HydrophobicContact SD-CD2 4.26Å; F62-Y66 AromaticContact CD2-CD1 3.94Å; F62-Y66 HydrophobicContact CD2-CD1 3.94Å; F62-Y66 HydrophobicContact CD2-CE1 4.14Å; F62-Y66 HydrophobicContact CE2-CD1 4.39Å; F62-Y66 HydrophobicContact CE2-CE1 4.39Å; F62-I67 HydrophobicContact CD2-CD1 4.45Å; F62-I67 HydrophobicContact CE2-CD1 3.7Å; F62-I67 HydrophobicContact CZ-CD1 4.15Å; F62-L72 HydrophobicContact CE2-CD1 4.16Å; F62-L76 HydrophobicContact CD2-CD1 3.57Å; F62-L76 HydrophobicContact CE2-CD1 3.48Å; F62-L76 VanDerWaalsContact CE2-CD1 3.48Å; F62-F78 HydrophobicContact CB-CE1 3.56Å; F62-F78 HydrophobicContact CB-CZ 3.47Å; F62-F78 VanDerWaalsContact CB-CZ 3.47Å; F62-F78 HydrophobicContact CD1-CZ 4.04Å; F62-F78 AromaticContact CD2-CZ 3.89Å; F62-F78 HydrophobicContact CD2-CZ 3.89Å; F62-F78 HydrophobicContact CG-CE1 4.16Å; F62-F78 HydrophobicContact CG-CE2 4.41Å; F62-F78 AromaticContact CG-CZ 3.53Å; F62-F78 HydrophobicContact CG-CZ 3.53Å; F62-L84 HydrophobicContact CB-CD2 4.37Å; F62-L84 HydrophobicContact CD1-CD2 4.03Å; F62-P160 HydrophobicContact CE1-CB 4.25Å; F62-T162 HydrophobicContact CD1-CG2 4.16Å; F62-T162 HydrophobicContact CE1-CG2 3.97Å; F62-T162 HydrophobicContact CZ-CG2 4.23Å; F62-T162 WeakPolarHBondContact O-CB 3.39Å; F62-T162 PolarHBondContact O-OG1 2.94Å; F62-V163 HydrophobicContact CE1-CG2 4.35Å; F62-V277 HydrophobicContact CZ-CG2 4.44Å | ||
| 63 | N | 96.6 | Very high | 96.5 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -114.3 | 177.8 | 176 | 60.6 | 57.6 | 0 | 0 | 0 | 111.1 | K60 D61 E65 Y66 I67 | K60-N63 PolarHBondContact O-ND2 3.21Å; D61-N63 PolarHBondContact O-N 2.97Å; D61-N63 PolarHBondContact O-ND2 3.18Å; N63-E65 VanDerWaalsContact C-N 3.3Å; N63-E65 PolarHBondContact O-N 2.53Å; N63-E65 WeakPolarHBondContact OD1-CA 3.28Å; N63-E65 VanDerWaalsContact OD1-CB 3.29Å; N63-E65 WeakPolarHBondContact OD1-CB 3.28Å; N63-E65 PolarHBondContact OD1-N 2.99Å; N63-Y66 WeakPolarHBondContact O-CB 3.44Å; N63-Y66 PolarHBondContact O-N 3.44Å; N63-Y66 PolarHBondContact OD1-N 2.68Å; N63-Y66 VanDerWaalsContact OD1-N 3.1Å; N63-I67 PolarHBondContact O-N 2.75Å |
| 64 | V | 96.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -31.5 | -177.5 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Y66 I67 Q68 T162 F165 P512 | V64-Y66 VanDerWaalsContact C-N 3.31Å; V64-Y66 PolarHBondContact O-N 3.18Å; V64-I67 CarbonylContact O-C 3.34Å; V64-I67 WeakPolarHBondContact O-CA 3.35Å; V64-I67 WeakPolarHBondContact O-CB 3.37Å; V64-I67 PolarHBondContact O-N 2.69Å; V64-Q68 HydrophobicContact CG1-CG 4.29Å; V64-Q68 WeakPolarHBondContact O-CG 3.4Å; V64-Q68 PolarHBondContact O-N 3.08Å; V64-T162 HydrophobicContact CG2-CG2 4.43Å; V64-F165 HydrophobicContact CG2-CB 3.81Å; V64-F165 HydrophobicContact CG2-CD2 3.91Å; V64-F165 HydrophobicContact CG2-CG 4.09Å; V64-P512 HydrophobicContact CG1-CB 4.44Å; V64-P512 HydrophobicContact CG1-CG 4.49Å |
| 65 | E | 96.3 | Very high | 96.5 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 177.1 | -152.9 | -154.5 | 136.4 | 0 | 0 | 111.5 | N63 I67 Q68 R69 L508 | N63-E65 VanDerWaalsContact C-N 3.3Å; N63-E65 PolarHBondContact O-N 2.53Å; N63-E65 WeakPolarHBondContact OD1-CA 3.28Å; N63-E65 VanDerWaalsContact OD1-CB 3.29Å; N63-E65 WeakPolarHBondContact OD1-CB 3.28Å; N63-E65 PolarHBondContact OD1-N 2.99Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-I67 PolarHBondContact O-N 3.22Å; E65-Q68 PolarHBondContact O-N 2.89Å; E65-R69 VanDerWaalsContact O-CB 3.25Å; E65-R69 WeakPolarHBondContact O-CB 3.49Å; E65-R69 PolarHBondContact O-N 3.1Å; E65-R69 IonicContact OE1-CZ 3.56Å; E65-R69 IonicContact OE1-NE 3.77Å; E65-R69 IonicContact OE1-NH2 3.31Å; E65-R69 PolarHBondContact OE1-NH2 2.93Å; E65-L508 HydrophobicContact CG-CB 4.05Å |
| 66 | Y | 97.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 18% | 0.184 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 170.6 | 169.9 | -95.2 | 0 | 0 | 0 | 111.9 | M57 D61 F62 N63 V64 R69 G70 L76 | M57-Y66 HydrophobicContact CE-CD1 4.45Å; M57-Y66 HydrophobicContact CE-CD2 4.05Å; M57-Y66 HydrophobicContact CE-CE1 4.08Å; M57-Y66 HydrophobicContact CE-CE2 3.64Å; M57-Y66 HydrophobicContact CE-CG 4.46Å; D61-Y66 WeakPolarHBondContact O-CB 3.44Å; F62-Y66 AromaticContact CD2-CD1 3.94Å; F62-Y66 HydrophobicContact CD2-CD1 3.94Å; F62-Y66 HydrophobicContact CD2-CE1 4.14Å; F62-Y66 HydrophobicContact CE2-CD1 4.39Å; F62-Y66 HydrophobicContact CE2-CE1 4.39Å; N63-Y66 WeakPolarHBondContact O-CB 3.44Å; N63-Y66 PolarHBondContact O-N 3.44Å; N63-Y66 PolarHBondContact OD1-N 2.68Å; N63-Y66 VanDerWaalsContact OD1-N 3.1Å; V64-Y66 VanDerWaalsContact C-N 3.31Å; V64-Y66 PolarHBondContact O-N 3.18Å; Y66-R69 PolarHBondContact O-N 3.47Å; Y66-G70 PolarHBondContact O-N 3.44Å; Y66-L76 HydrophobicContact CE1-CD1 3.86Å; Y66-L76 WeakPolarHBondContact OH-CD2 3.43Å |
| 67 | I | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 176.1 | -52.7 | -67 | 0 | 0 | 0 | 111.3 | F62 N63 V64 E65 R69 G71 L72 T162 I166 F303 | F62-I67 HydrophobicContact CD2-CD1 4.45Å; F62-I67 HydrophobicContact CE2-CD1 3.7Å; F62-I67 HydrophobicContact CZ-CD1 4.15Å; N63-I67 PolarHBondContact O-N 2.75Å; V64-I67 CarbonylContact O-C 3.34Å; V64-I67 WeakPolarHBondContact O-CA 3.35Å; V64-I67 WeakPolarHBondContact O-CB 3.37Å; V64-I67 PolarHBondContact O-N 2.69Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-I67 PolarHBondContact O-N 3.22Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.28Å; I67-G71 VanDerWaalsContact O-CA 3.24Å; I67-G71 WeakPolarHBondContact O-CA 3.32Å; I67-G71 PolarHBondContact O-N 3.22Å; I67-L72 HydrophobicContact CD1-CB 3.98Å; I67-L72 HydrophobicContact CD1-CD1 4.08Å; I67-L72 HydrophobicContact CD1-CD2 4.27Å; I67-L72 HydrophobicContact CD1-CG 4.34Å; I67-L72 HydrophobicContact CG2-CB 4.42Å; I67-T162 HydrophobicContact CD1-CG2 4.38Å; I67-T162 HydrophobicContact CG1-CG2 3.91Å; I67-I166 HydrophobicContact CD1-CD1 4.04Å; I67-I166 HydrophobicContact CG1-CD1 4.12Å; I67-I166 HydrophobicContact CG2-CD1 4.12Å; I67-I166 HydrophobicContact CG2-CG2 4.5Å; I67-F303 HydrophobicContact CG2-CB 4.2Å; I67-F303 HydrophobicContact CG2-CD1 4.49Å; I67-F303 HydrophobicContact CG2-CD2 3.38Å; I67-F303 HydrophobicContact CG2-CE2 3.82Å; I67-F303 HydrophobicContact CG2-CG 3.77Å |
| 68 | Q | 95.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -37.7 | 177.5 | -71.8 | 174.4 | -50.7 | 0 | 0 | 112 | V64 E65 F303 T454 A507 L508 T509 | V64-Q68 HydrophobicContact CG1-CG 4.29Å; V64-Q68 WeakPolarHBondContact O-CG 3.4Å; V64-Q68 PolarHBondContact O-N 3.08Å; E65-Q68 PolarHBondContact O-N 2.89Å; Q68-F303 HydrophobicContact CB-CE1 4.48Å; Q68-F303 HydrophobicContact CG-CE1 3.81Å; Q68-F303 HydrophobicContact CG-CZ 3.99Å; Q68-T454 HydrophobicContact CB-CG2 3.79Å; Q68-T454 HydrophobicContact CG-CG2 4.09Å; Q68-A507 PolarHBondContact NE2-O 2.98Å; Q68-L508 HydrophobicContact CB-CD2 3.67Å; Q68-T509 PolarHBondContact NE2-OG1 3.21Å |
| 69 | R | 96 | Very high | 96.8 | Very high | 162 Ų | 162 | 39.4 Ų | 39.4 | 61% | 0.611 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -78.6 | -43.5 | -178.9 | -165.8 | -170.8 | -61.6 | 176 | -0.6 | 113 | E65 Y66 I67 L508 | E65-R69 VanDerWaalsContact O-CB 3.25Å; E65-R69 WeakPolarHBondContact O-CB 3.49Å; E65-R69 PolarHBondContact O-N 3.1Å; E65-R69 IonicContact OE1-CZ 3.56Å; E65-R69 IonicContact OE1-NE 3.77Å; E65-R69 IonicContact OE1-NH2 3.31Å; E65-R69 PolarHBondContact OE1-NH2 2.93Å; Y66-R69 PolarHBondContact O-N 3.47Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.28Å; R69-L508 HydrophobicContact CB-CD1 4.4Å; R69-L508 HydrophobicContact CB-CD2 3.98Å; R69-L508 HydrophobicContact CG-CD1 4.28Å |
| 70 | G | 93.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 24% | 0.237 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -105.2 | -2.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y66 L72 R73 | Y66-G70 PolarHBondContact O-N 3.44Å; G70-L72 PolarHBondContact O-N 3.39Å; G70-R73 WeakPolarHBondContact O-CG 3.41Å; G70-R73 PolarHBondContact O-N 3.02Å |
| 71 | G | 95.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 9.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I67 R73 H301 | I67-G71 VanDerWaalsContact O-CA 3.24Å; I67-G71 WeakPolarHBondContact O-CA 3.32Å; I67-G71 PolarHBondContact O-N 3.22Å; G71-R73 PolarHBondContact O-NE 3.18Å; G71-H301 PolarHBondContact O-CE1 3.04Å |
| 72 | L | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | 72.9 | -164.3 | -172.2 | 62.3 | 0 | 0 | 0 | 111.6 | F62 I67 G70 L76 I166 V277 P279 F299 H301 | F62-L72 HydrophobicContact CE2-CD1 4.16Å; I67-L72 HydrophobicContact CD1-CB 3.98Å; I67-L72 HydrophobicContact CD1-CD1 4.08Å; I67-L72 HydrophobicContact CD1-CD2 4.27Å; I67-L72 HydrophobicContact CD1-CG 4.34Å; I67-L72 HydrophobicContact CG2-CB 4.42Å; G70-L72 PolarHBondContact O-N 3.39Å; L72-L76 HydrophobicContact CD1-CD1 3.85Å; L72-I166 HydrophobicContact CD2-CD1 4.48Å; L72-V277 HydrophobicContact CD1-CG1 4.13Å; L72-V277 HydrophobicContact CD2-CG1 4.42Å; L72-P279 WeakPolarHBondContact O-CB 2.97Å; L72-F299 HydrophobicContact CD2-CE2 4.07Å; L72-F299 HydrophobicContact CD2-CZ 4.02Å; L72-H301 VanDerWaalsContact CB-CE1 3.42Å; L72-H301 WeakPolarHBondContact CB-CE1 3.12Å |
| 73 | R | 97.2 | Very high | 96.5 | Very high | 75 Ų | 75 | 43 Ų | 43 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | trans | -109.2 | -24.4 | -178.3 | -58 | -57.8 | 171.6 | 113.3 | -4.6 | 114.3 | G70 G71 P279 W282 F303 N304 F456 | G70-R73 WeakPolarHBondContact O-CG 3.41Å; G70-R73 PolarHBondContact O-N 3.02Å; G71-R73 PolarHBondContact O-NE 3.18Å; R73-P279 WeakPolarHBondContact O-CG 3.48Å; R73-W282 PolarHBondContact O-NE1 2.71Å; R73-F303 PolarHBondContact NH2-O 3.31Å; R73-N304 WeakPolarHBondContact CD-ND2 3.5Å; R73-N304 VanDerWaalsContact CZ-CG 3.46Å; R73-N304 PolarHBondContact NH1-OD1 2.86Å; R73-N304 PolarHBondContact NH2-OD1 2.77Å; R73-F456 VanDerWaalsContact NH2-CD1 3.27Å | ||
| 74 | D | 97.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 35% | 0.353 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -101.3 | 143.3 | -176 | -45.7 | -61 | 0 | 0 | 0 | 112.6 | L76 P279 | D74-L76 HydrophobicContact CB-CD2 4.31Å; D74-L76 WeakPolarHBondContact O-CD2 3.35Å; D74-L76 WeakPolarHBondContact O-CG 3.1Å; D74-P279 WeakPolarHBondContact O-CG 3.34Å |
| 75 | P | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -69.7 | 135.2 | 172.2 | -17.7 | 32.3 | 0 | 0 | 0 | 111.9 | V54 T55 L233 F276 V277 W282 | V54-P75 CarbonylContact C-O 3.6Å; V54-P75 WeakPolarHBondContact CA-O 3.36Å; V54-P75 HydrophobicContact CG2-CB 3.97Å; T55-P75 PolarHBondContact N-O 2.97Å; P75-L233 HydrophobicContact CB-CD1 4.35Å; P75-L233 HydrophobicContact CG-CD1 4.43Å; P75-F276 HydrophobicContact CB-CE2 3.75Å; P75-F276 HydrophobicContact CB-CZ 4.01Å; P75-V277 WeakPolarHBondContact CA-O 3.17Å; P75-W282 HydrophobicContact CG-CD2 3.8Å; P75-W282 HydrophobicContact CG-CE3 3.88Å; P75-W282 HydrophobicContact CG-CH2 3.89Å; P75-W282 HydrophobicContact CG-CZ2 3.78Å; P75-W282 HydrophobicContact CG-CZ3 3.92Å | ||
| 76 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.6 | -169.5 | -44 | 175.7 | 0 | 0 | 0 | 111.7 | T55 M57 F62 Y66 L72 D74 F78 F276 V277 | T55-L76 HydrophobicContact CG2-CD2 4.43Å; T55-L76 CarbonylContact O-C 3.6Å; T55-L76 WeakPolarHBondContact O-CA 3.31Å; M57-L76 HydrophobicContact CE-CD2 4.21Å; M57-L76 HydrophobicContact SD-CB 4.36Å; M57-L76 HydrophobicContact SD-CD1 3.94Å; M57-L76 HydrophobicContact SD-CD2 4.3Å; M57-L76 HydrophobicContact SD-CG 4.43Å; F62-L76 HydrophobicContact CD2-CD1 3.57Å; F62-L76 HydrophobicContact CE2-CD1 3.48Å; F62-L76 VanDerWaalsContact CE2-CD1 3.48Å; Y66-L76 HydrophobicContact CE1-CD1 3.86Å; Y66-L76 WeakPolarHBondContact OH-CD2 3.43Å; L72-L76 HydrophobicContact CD1-CD1 3.85Å; D74-L76 HydrophobicContact CB-CD2 4.31Å; D74-L76 WeakPolarHBondContact O-CD2 3.35Å; D74-L76 WeakPolarHBondContact O-CG 3.1Å; L76-F78 HydrophobicContact CB-CE2 3.96Å; L76-F78 HydrophobicContact CB-CZ 4.14Å; L76-F78 HydrophobicContact CD1-CZ 4.31Å; L76-F276 CarbonylContact O-C 3.46Å; L76-F276 VanDerWaalsContact O-CA 3.3Å; L76-F276 WeakPolarHBondContact O-CA 3.5Å; L76-F276 VanDerWaalsContact O-CD2 3.31Å; L76-F276 WeakPolarHBondContact O-CD2 3.42Å; L76-V277 HydrophobicContact CB-CB 4.16Å; L76-V277 HydrophobicContact CD1-CB 4.41Å; L76-V277 HydrophobicContact CG-CB 4.4Å; L76-V277 PolarHBondContact N-O 3.4Å; L76-V277 PolarHBondContact O-N 2.89Å |
| 77 | I | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.2 | 168.4 | -68.3 | 177.1 | 0 | 0 | 0 | 111.2 | V54 T55 F56 M57 K79 I268 L270 Y274 F276 | V54-I77 HydrophobicContact CG1-CB 4.08Å; V54-I77 HydrophobicContact CG1-CD1 3.74Å; V54-I77 HydrophobicContact CG1-CG1 3.66Å; T55-I77 PolarHBondContact O-N 3.34Å; F56-I77 WeakPolarHBondContact CA-O 3.11Å; F56-I77 HydrophobicContact CD1-CB 3.7Å; F56-I77 HydrophobicContact CD1-CG2 3.73Å; F56-I77 HydrophobicContact CE1-CB 3.74Å; F56-I77 HydrophobicContact CE1-CD1 3.95Å; F56-I77 HydrophobicContact CE1-CG1 4.42Å; F56-I77 HydrophobicContact CE1-CG2 3.65Å; F56-I77 HydrophobicContact CZ-CD1 4.28Å; M57-I77 PolarHBondContact N-O 3.21Å; I77-K79 HydrophobicContact CG2-CG 4.32Å; I77-I268 HydrophobicContact CD1-CD1 3.5Å; I77-I268 HydrophobicContact CD1-CG1 4.07Å; I77-L270 HydrophobicContact CD1-CD2 3.36Å; I77-L270 HydrophobicContact CG1-CD2 3.88Å; I77-Y274 HydrophobicContact CG2-CD2 3.68Å; I77-Y274 HydrophobicContact CG2-CE2 4.11Å; I77-Y274 HydrophobicContact CG2-CG 4.28Å; I77-F276 HydrophobicContact CD1-CD2 4.3Å; I77-F276 HydrophobicContact CG1-CD2 3.48Å; I77-F276 VanDerWaalsContact CG1-CD2 3.48Å; I77-F276 HydrophobicContact CG1-CE2 4.06Å; I77-F276 HydrophobicContact CG1-CG 4.32Å |
| 78 | F | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 116.9 | 164.7 | -50.6 | -85.5 | 0 | 0 | 0 | 108 | M57 F62 L76 N80 L84 Y274 T275 V277 | M57-F78 HydrophobicContact CB-CE1 4.36Å; M57-F78 HydrophobicContact CG-CD1 4.08Å; M57-F78 HydrophobicContact CG-CE1 3.44Å; M57-F78 VanDerWaalsContact CG-CE1 3.44Å; M57-F78 HydrophobicContact CG-CZ 3.84Å; M57-F78 VanDerWaalsContact O-CD1 3.29Å; M57-F78 WeakPolarHBondContact O-CD1 3.31Å; M57-F78 HydrophobicContact SD-CE1 3.43Å; M57-F78 WeakPolarHBondContact SD-CE1 3.39Å; M57-F78 HydrophobicContact SD-CZ 3.46Å; M57-F78 WeakPolarHBondContact SD-CZ 3.33Å; F62-F78 HydrophobicContact CB-CE1 3.56Å; F62-F78 HydrophobicContact CB-CZ 3.47Å; F62-F78 VanDerWaalsContact CB-CZ 3.47Å; F62-F78 HydrophobicContact CD1-CZ 4.04Å; F62-F78 AromaticContact CD2-CZ 3.89Å; F62-F78 HydrophobicContact CD2-CZ 3.89Å; F62-F78 HydrophobicContact CG-CE1 4.16Å; F62-F78 HydrophobicContact CG-CE2 4.41Å; F62-F78 AromaticContact CG-CZ 3.53Å; F62-F78 HydrophobicContact CG-CZ 3.53Å; L76-F78 HydrophobicContact CB-CE2 3.96Å; L76-F78 HydrophobicContact CB-CZ 4.14Å; L76-F78 HydrophobicContact CD1-CZ 4.31Å; F78-N80 VanDerWaalsContact C-N 3.3Å; F78-N80 WeakPolarHBondContact CB-O 3.36Å; F78-L84 HydrophobicContact CB-CD1 3.93Å; F78-L84 HydrophobicContact CD1-CD1 4.42Å; F78-L84 HydrophobicContact CD1-CD2 3.79Å; F78-L84 HydrophobicContact CD1-CG 4.34Å; F78-L84 HydrophobicContact CD2-CD1 4.03Å; F78-L84 HydrophobicContact CD2-CD2 4.04Å; F78-L84 HydrophobicContact CE1-CD2 3.79Å; F78-L84 HydrophobicContact CE2-CD2 4.06Å; F78-L84 HydrophobicContact CG-CD1 3.85Å; F78-L84 HydrophobicContact CG-CD2 3.92Å; F78-L84 HydrophobicContact CG-CG 4.25Å; F78-L84 HydrophobicContact CZ-CD2 3.94Å; F78-Y274 WeakPolarHBondContact O-CA 3.48Å; F78-T275 WeakPolarHBondContact CD2-O 3.16Å; F78-T275 PolarHBondContact N-O 3.3Å; F78-T275 PolarHBondContact O-N 3.14Å; F78-V277 HydrophobicContact CE2-CG2 3.99Å |
| 79 | K | 96.3 | Very high | 96.6 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -75 | -24.3 | -178.7 | -65.3 | -178.4 | 179.6 | 169.8 | 0 | 112.5 | F56 I77 Y274 | F56-K79 HydrophobicContact CD1-CD 4.39Å; F56-K79 HydrophobicContact CD1-CG 4.21Å; F56-K79 VanDerWaalsContact CE1-CE 3.5Å; I77-K79 HydrophobicContact CG2-CG 4.32Å; K79-Y274 HydrophobicContact CB-CD1 4.35Å; K79-Y274 HydrophobicContact CB-CE1 3.88Å; K79-Y274 HydrophobicContact CG-CE1 4.03Å; K79-Y274 HydrophobicContact CG-CE2 4.26Å; K79-Y274 WeakPolarHBondContact O-CD1 3.1Å |
| 80 | N | 94.4 | Very high | 96.6 | Very high | 61 Ų | 61 | 41.8 Ų | 41.8 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -123.3 | 163.1 | 174.5 | 57 | -26.7 | 0 | 0 | 0 | 110.4 | F78 D82 | F78-N80 VanDerWaalsContact C-N 3.3Å; F78-N80 WeakPolarHBondContact CB-O 3.36Å; N80-D82 VanDerWaalsContact C-N 3.32Å; N80-D82 WeakPolarHBondContact CB-OD2 3.49Å; N80-D82 PolarHBondContact ND2-OD2 3.4Å |
| 81 | S | 94.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | trans | -82.1 | -8.1 | 178 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | L84 | S81-L84 PolarHBondContact O-N 3.26Š| ||
| 82 | D | 95.2 | Very high | 96.5 | Very high | 101 Ų | 101 | 51.2 Ų | 51.2 | 54% | 0.54 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 137.8 | -163.3 | -49.8 | -44.8 | 0 | 0 | 0 | 111.8 | G59 N80 L84 | G59-D82 WeakPolarHBondContact CA-O 3.48Å; G59-D82 PolarHBondContact N-O 2.97Å; N80-D82 VanDerWaalsContact C-N 3.32Å; N80-D82 WeakPolarHBondContact CB-OD2 3.49Å; N80-D82 PolarHBondContact ND2-OD2 3.4Å; D82-L84 PolarHBondContact O-N 3.36Å |
| 83 | G | 93.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 60% | 0.598 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -27.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G59 G85 | G59-G83 CarbonylContact O-C 3.57Å; G83-G85 PolarHBondContact O-N 3.19Å |
| 84 | L | 96.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.3 | -179.2 | -68.2 | 178.1 | 0 | 0 | 0 | 114 | F62 F78 S81 D82 I86 P160 S161 T275 | F62-L84 HydrophobicContact CB-CD2 4.37Å; F62-L84 HydrophobicContact CD1-CD2 4.03Å; F78-L84 HydrophobicContact CB-CD1 3.93Å; F78-L84 HydrophobicContact CD1-CD1 4.42Å; F78-L84 HydrophobicContact CD1-CD2 3.79Å; F78-L84 HydrophobicContact CD1-CG 4.34Å; F78-L84 HydrophobicContact CD2-CD1 4.03Å; F78-L84 HydrophobicContact CD2-CD2 4.04Å; F78-L84 HydrophobicContact CE1-CD2 3.79Å; F78-L84 HydrophobicContact CE2-CD2 4.06Å; F78-L84 HydrophobicContact CG-CD1 3.85Å; F78-L84 HydrophobicContact CG-CD2 3.92Å; F78-L84 HydrophobicContact CG-CG 4.25Å; F78-L84 HydrophobicContact CZ-CD2 3.94Å; S81-L84 PolarHBondContact O-N 3.26Å; D82-L84 PolarHBondContact O-N 3.36Å; L84-I86 VanDerWaalsContact C-N 3.26Å; L84-I86 HydrophobicContact CB-CG2 4.06Å; L84-I86 HydrophobicContact CD1-CG2 4.44Å; L84-I86 PolarHBondContact O-N 2.93Å; L84-P160 HydrophobicContact CB-CB 4.27Å; L84-P160 HydrophobicContact CD2-CB 4.28Å; L84-P160 CarbonylContact O-C 3.13Å; L84-P160 VanDerWaalsContact O-CA 3.24Å; L84-P160 WeakPolarHBondContact O-CA 3.45Å; L84-S161 PolarHBondContact O-N 2.76Å; L84-T275 HydrophobicContact CD1-CG2 4.02Å |
| 85 | G | 96 | Very high | 96.5 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 15.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G83 | G83-G85 PolarHBondContact O-N 3.19Š|
| 86 | I | 97.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | trans | -65.5 | 155.4 | 173.6 | 63.2 | 170.6 | 0 | 0 | 0 | 111.8 | L84 M88 Q158 P160 H223 | L84-I86 VanDerWaalsContact C-N 3.26Å; L84-I86 HydrophobicContact CB-CG2 4.06Å; L84-I86 HydrophobicContact CD1-CG2 4.44Å; L84-I86 PolarHBondContact O-N 2.93Å; I86-M88 HydrophobicContact CB-CE 4.28Å; I86-M88 HydrophobicContact CD1-CE 4.23Å; I86-Q158 WeakPolarHBondContact CA-O 3.47Å; I86-Q158 WeakPolarHBondContact CB-O 3.38Å; I86-P160 HydrophobicContact CG2-CB 4.19Å; I86-P160 HydrophobicContact CG2-CG 3.66Å; I86-H223 WeakPolarHBondContact CD1-ND1 3.31Å | ||
| 87 | K | 97.3 | Very high | 96.4 | Very high | 96 Ų | 96 | 53.3 Ų | 53.3 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -133.6 | 136.5 | 169.3 | -175 | -167.7 | 170.7 | -170.5 | 0 | 108.6 | N155 V157 Q158 | K87-N155 PolarHBondContact NZ-O 3.01Å; K87-V157 CarbonylContact O-C 3.52Å; K87-V157 VanDerWaalsContact O-CA 3.32Å; K87-V157 WeakPolarHBondContact O-CA 3.14Å; K87-Q158 HydrophobicContact CB-CB 3.78Å; K87-Q158 HydrophobicContact CB-CG 4.01Å; K87-Q158 HydrophobicContact CD-CG 4.32Å; K87-Q158 PolarHBondContact N-O 2.83Å; K87-Q158 PolarHBondContact O-N 3.07Å |
| 88 | M | 97.5 | Very high | 96.4 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 17% | 0.172 | 31% | 0.308 | C | S | . | . | trans | -125.6 | 165.5 | 179.4 | -68 | -61.2 | 150 | 0 | 0 | 111.5 | I86 M156 V157 W221 H223 F295 | I86-M88 HydrophobicContact CB-CE 4.28Å; I86-M88 HydrophobicContact CD1-CE 4.23Å; M88-M156 CarbonylContact C-O 3.48Å; M88-V157 HydrophobicContact CE-CG1 4.08Å; M88-V157 HydrophobicContact SD-CG1 4.1Å; M88-W221 HydrophobicContact CE-CH2 4.15Å; M88-W221 HydrophobicContact CE-CZ3 3.79Å; M88-H223 HydrophobicContact CE-CB 3.87Å; M88-F295 HydrophobicContact CE-CB 4.34Å; M88-F295 HydrophobicContact SD-CB 3.85Å; M88-F295 HydrophobicContact SD-CD2 3.78Å; M88-F295 HydrophobicContact SD-CG 4.16Å | ||
| 89 | P | 97.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | trans | -61.4 | 168.3 | 164.1 | -20.9 | 36.7 | 0 | 0 | 0 | 111.6 | F93 L153 M156 V157 H225 F295 | P89-F93 HydrophobicContact CB-CB 3.69Å; P89-F93 HydrophobicContact CB-CD1 3.81Å; P89-F93 HydrophobicContact CB-CD2 3.87Å; P89-F93 HydrophobicContact CB-CE1 4.38Å; P89-F93 HydrophobicContact CB-CE2 4.44Å; P89-F93 HydrophobicContact CB-CG 3.53Å; P89-F93 HydrophobicContact CG-CD1 4.05Å; P89-F93 HydrophobicContact CG-CE1 4.3Å; P89-F93 HydrophobicContact CG-CG 4.28Å; P89-L153 HydrophobicContact CG-CD1 4.3Å; P89-M156 HydrophobicContact CB-CE 4.02Å; P89-M156 HydrophobicContact CG-CB 4.34Å; P89-M156 HydrophobicContact CG-CE 4.49Å; P89-V157 HydrophobicContact CG-CG2 4.2Å; P89-H225 PolarHBondContact O-NE2 2.99Å; P89-F295 HydrophobicContact CG-CD2 4.33Å; P89-F295 HydrophobicContact CG-CE2 3.6Å; P89-F295 HydrophobicContact CG-CZ 3.83Å | ||
| 90 | D | 95.8 | Very high | 96.4 | Very high | 103 Ų | 103 | 53.8 Ų | 53.8 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | trans | -48.6 | 141.6 | 170.7 | -168.6 | -78.4 | 0 | 0 | 0 | 111.9 | D92 F93 H225 | D90-D92 PolarHBondContact O-N 3.44Å; D90-D92 VanDerWaalsContact O-N 3.12Å; D90-D92 PolarHBondContact OD1-N 2.81Å; D90-F93 WeakPolarHBondContact O-CB 3.43Å; D90-F93 PolarHBondContact O-N 3.08Å; D90-H225 PolarHBondContact O-CE1 2.92Å; D90-H225 PolarHBondContact O-NE2 2.82Å | ||
| 91 | P | 94.9 | Very high | 96.4 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.8 | 180 | -28.5 | 36.8 | 0 | 0 | 0 | 114.8 | F93 Q226 | P91-F93 VanDerWaalsContact C-N 3.31Å; P91-F93 PolarHBondContact O-N 3.39Å; P91-Q226 PolarHBondContact O-NE2 2.84Å |
| 92 | D | 94.2 | Very high | 96.4 | Very high | 135 Ų | 135 | 50 Ų | 50 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.6 | -179.2 | -67.8 | -18.9 | 0 | 0 | 0 | 113.4 | D90 T94 | D90-D92 PolarHBondContact O-N 3.44Å; D90-D92 VanDerWaalsContact O-N 3.12Å; D90-D92 PolarHBondContact OD1-N 2.81Å; D92-T94 VanDerWaalsContact O-CG2 3.3Å; D92-T94 WeakPolarHBondContact O-CG2 3.47Å; D92-T94 PolarHBondContact O-N 3.22Å |
| 93 | F | 97.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | trans | -62.4 | 126.5 | -174 | -173.6 | -95 | 0 | 0 | 0 | 113.2 | P89 D90 P91 D97 V98 L153 M156 Q226 L293 F295 | P89-F93 HydrophobicContact CB-CB 3.69Å; P89-F93 HydrophobicContact CB-CD1 3.81Å; P89-F93 HydrophobicContact CB-CD2 3.87Å; P89-F93 HydrophobicContact CB-CE1 4.38Å; P89-F93 HydrophobicContact CB-CE2 4.44Å; P89-F93 HydrophobicContact CB-CG 3.53Å; P89-F93 HydrophobicContact CG-CD1 4.05Å; P89-F93 HydrophobicContact CG-CE1 4.3Å; P89-F93 HydrophobicContact CG-CG 4.28Å; D90-F93 WeakPolarHBondContact O-CB 3.43Å; D90-F93 PolarHBondContact O-N 3.08Å; P91-F93 VanDerWaalsContact C-N 3.31Å; P91-F93 PolarHBondContact O-N 3.39Å; F93-D97 HydrophobicContact CD1-CB 4.42Å; F93-D97 HydrophobicContact CD2-CB 3.66Å; F93-D97 HydrophobicContact CE1-CB 4.14Å; F93-D97 HydrophobicContact CE2-CB 3.33Å; F93-D97 HydrophobicContact CG-CB 4.2Å; F93-D97 HydrophobicContact CZ-CB 3.58Å; F93-V98 HydrophobicContact CD1-CG2 4.41Å; F93-V98 HydrophobicContact CE1-CG2 3.69Å; F93-L153 HydrophobicContact CE1-CD1 3.77Å; F93-L153 HydrophobicContact CE2-CD1 4.49Å; F93-L153 HydrophobicContact CZ-CD1 3.55Å; F93-M156 HydrophobicContact CD2-CE 4.07Å; F93-M156 HydrophobicContact CE2-CE 3.69Å; F93-M156 HydrophobicContact CE2-SD 4.38Å; F93-M156 HydrophobicContact CZ-CE 4.39Å; F93-Q226 PolarHBondContact O-NE2 2.92Å; F93-L293 HydrophobicContact CD1-CD2 4.37Å; F93-L293 WeakPolarHBondContact O-CD2 3.49Å; F93-F295 HydrophobicContact CD1-CZ 4.26Å; F93-F295 HydrophobicContact CE1-CZ 4.22Å | ||
| 94 | T | 97.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | trans | -105.9 | 168.8 | -167.5 | 73.3 | 0 | 0 | 0 | 0 | 114.6 | D92 N96 D97 V98 | D92-T94 VanDerWaalsContact O-CG2 3.3Å; D92-T94 WeakPolarHBondContact O-CG2 3.47Å; D92-T94 PolarHBondContact O-N 3.22Å; T94-N96 PolarHBondContact O-N 2.99Å; T94-N96 WeakPolarHBondContact OG1-CB 3.46Å; T94-N96 PolarHBondContact OG1-N 2.89Å; T94-N96 VanDerWaalsContact OG1-N 3.14Å; T94-D97 WeakPolarHBondContact CB-OD2 3.3Å; T94-D97 PolarHBondContact N-OD2 3.32Å; T94-D97 WeakPolarHBondContact O-CA 3.44Å; T94-D97 PolarHBondContact O-N 3.18Å; T94-D97 PolarHBondContact OG1-N 2.83Å; T94-D97 PolarHBondContact OG1-OD2 3.25Å; T94-V98 PolarHBondContact O-N 3.17Å | ||
| 95 | V | 97.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -25.6 | 167.1 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | K99 T127 Y130 M202 L293 | V95-K99 PolarHBondContact O-N 3.29Å; V95-T127 HydrophobicContact CG1-CG2 4.25Å; V95-T127 PolarHBondContact O-OG1 2.81Å; V95-Y130 HydrophobicContact CB-CD1 4.02Å; V95-Y130 HydrophobicContact CB-CE1 4.34Å; V95-Y130 HydrophobicContact CB-CG 4.29Å; V95-Y130 HydrophobicContact CG1-CD1 4.35Å; V95-Y130 HydrophobicContact CG1-CG 4.13Å; V95-Y130 HydrophobicContact CG2-CD1 3.73Å; V95-Y130 HydrophobicContact CG2-CD2 4.15Å; V95-Y130 HydrophobicContact CG2-CE1 3.62Å; V95-Y130 HydrophobicContact CG2-CE2 4.04Å; V95-Y130 HydrophobicContact CG2-CG 3.99Å; V95-M202 HydrophobicContact CB-SD 4.32Å; V95-M202 HydrophobicContact CG1-SD 3.78Å; V95-M202 HydrophobicContact CG2-CB 4.33Å; V95-M202 HydrophobicContact CG2-CG 3.93Å; V95-M202 HydrophobicContact CG2-SD 3.92Å; V95-L293 HydrophobicContact CG2-CD1 4.45Å |
| 96 | N | 97.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 169.3 | 165.7 | 84.1 | 0 | 0 | 0 | 111.9 | T94 K99 M100 T127 | T94-N96 PolarHBondContact O-N 2.99Å; T94-N96 WeakPolarHBondContact OG1-CB 3.46Å; T94-N96 PolarHBondContact OG1-N 2.89Å; T94-N96 VanDerWaalsContact OG1-N 3.14Å; N96-K99 WeakPolarHBondContact O-CB 3.32Å; N96-K99 PolarHBondContact O-N 2.99Å; N96-K99 WeakPolarHBondContact OD1-CE 3.31Å; N96-K99 PolarHBondContact OD1-NZ 3.26Å; N96-M100 WeakPolarHBondContact O-CG 3.42Å; N96-M100 PolarHBondContact O-N 2.75Å; N96-T127 HydrophobicContact CB-CG2 4.12Å |
| 97 | D | 97.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -78.7 | -33.7 | -178.4 | -51.7 | -52.2 | 0 | 0 | 0 | 111.6 | F93 T94 K99 M100 C101 | F93-D97 HydrophobicContact CD1-CB 4.42Å; F93-D97 HydrophobicContact CD2-CB 3.66Å; F93-D97 HydrophobicContact CE1-CB 4.14Å; F93-D97 HydrophobicContact CE2-CB 3.33Å; F93-D97 HydrophobicContact CG-CB 4.2Å; F93-D97 HydrophobicContact CZ-CB 3.58Å; T94-D97 WeakPolarHBondContact CB-OD2 3.3Å; T94-D97 PolarHBondContact N-OD2 3.32Å; T94-D97 WeakPolarHBondContact O-CA 3.44Å; T94-D97 PolarHBondContact O-N 3.18Å; T94-D97 PolarHBondContact OG1-N 2.83Å; T94-D97 PolarHBondContact OG1-OD2 3.25Å; D97-K99 VanDerWaalsContact C-N 3.34Å; D97-K99 PolarHBondContact O-N 3.2Å; D97-M100 CarbonylContact O-C 3.6Å; D97-M100 PolarHBondContact O-N 3.48Å; D97-M100 VanDerWaalsContact O-N 3.12Å; D97-C101 PolarHBondContact O-N 3.14Å |
| 98 | V | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.1 | -53.2 | 163.6 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | F93 T94 M100 C101 V102 M123 L146 L153 M202 L293 | F93-V98 HydrophobicContact CD1-CG2 4.41Å; F93-V98 HydrophobicContact CE1-CG2 3.69Å; T94-V98 PolarHBondContact O-N 3.17Å; V98-M100 VanDerWaalsContact C-N 3.29Å; V98-M100 PolarHBondContact O-N 3.41Å; V98-C101 PolarHBondContact O-N 3.2Å; V98-C101 VanDerWaalsContact O-N 3.12Å; V98-V102 HydrophobicContact CG1-CG1 4.47Å; V98-V102 WeakPolarHBondContact O-CG2 3.01Å; V98-V102 PolarHBondContact O-N 3.38Å; V98-M123 HydrophobicContact CB-CE 4.28Å; V98-M123 HydrophobicContact CG1-CE 3.84Å; V98-L146 HydrophobicContact CG1-CD2 3.74Å; V98-L153 HydrophobicContact CG1-CD2 4.26Å; V98-M202 HydrophobicContact CB-SD 4.34Å; V98-M202 HydrophobicContact CG1-CE 4.47Å; V98-M202 HydrophobicContact CG1-SD 4.06Å; V98-M202 HydrophobicContact CG2-SD 4.41Å; V98-L293 HydrophobicContact CG2-CD1 4.19Å |
| 99 | K | 97.5 | Very high | 95.8 | Very high | 27 Ų | 27 | 55 Ų | 55 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -39.6 | 175.8 | 165.8 | -165.9 | 69.1 | -163.3 | 0 | 112.4 | V95 N96 D97 G103 S104 M123 T127 | V95-K99 PolarHBondContact O-N 3.29Å; N96-K99 WeakPolarHBondContact O-CB 3.32Å; N96-K99 PolarHBondContact O-N 2.99Å; N96-K99 WeakPolarHBondContact OD1-CE 3.31Å; N96-K99 PolarHBondContact OD1-NZ 3.26Å; D97-K99 VanDerWaalsContact C-N 3.34Å; D97-K99 PolarHBondContact O-N 3.2Å; K99-G103 CarbonylContact O-C 3.4Å; K99-G103 VanDerWaalsContact O-CA 3.27Å; K99-G103 WeakPolarHBondContact O-CA 3.2Å; K99-G103 PolarHBondContact O-N 2.99Å; K99-S104 PolarHBondContact O-N 2.73Å; K99-M123 HydrophobicContact CB-CB 4.22Å; K99-M123 HydrophobicContact CB-CE 3.81Å; K99-M123 HydrophobicContact CG-CB 4.14Å; K99-T127 WeakPolarHBondContact CB-OG1 3.34Å; K99-T127 HydrophobicContact CD-CG2 4.17Å; K99-T127 VanDerWaalsContact NZ-CG2 3.34Å |
| 100 | M | 96.3 | Very high | 95.7 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.5 | -29.2 | 178.3 | -69.1 | -62.3 | -74 | 0 | 0 | 113 | N96 D97 V98 R152 | N96-M100 WeakPolarHBondContact O-CG 3.42Å; N96-M100 PolarHBondContact O-N 2.75Å; D97-M100 CarbonylContact O-C 3.6Å; D97-M100 PolarHBondContact O-N 3.48Å; D97-M100 VanDerWaalsContact O-N 3.12Å; V98-M100 VanDerWaalsContact C-N 3.29Å; V98-M100 PolarHBondContact O-N 3.41Å; M100-R152 PolarHBondContact O-NH2 3.02Å |
| 101 | C | 95.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 14% | 0.142 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -80.7 | -39.9 | 175.5 | -77.2 | 0 | 0 | 0 | 0 | 113.8 | D97 V98 R152 L153 | D97-C101 PolarHBondContact O-N 3.14Å; V98-C101 PolarHBondContact O-N 3.2Å; V98-C101 VanDerWaalsContact O-N 3.12Å; C101-R152 HydrophobicContact CB-CB 4.37Å; C101-L153 HydrophobicContact CB-CB 3.85Å; C101-L153 HydrophobicContact CB-CD1 4.48Å |
| 102 | V | 95.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -93.3 | -12.7 | -179.1 | -46.9 | 0 | 0 | 0 | 0 | 114.3 | V98 M123 L146 F148 T151 L153 | V98-V102 HydrophobicContact CG1-CG1 4.47Å; V98-V102 WeakPolarHBondContact O-CG2 3.01Å; V98-V102 PolarHBondContact O-N 3.38Å; V102-M123 HydrophobicContact CG2-CE 4.48Å; V102-M123 HydrophobicContact CG2-CG 3.72Å; V102-M123 HydrophobicContact CG2-SD 4.44Å; V102-L146 HydrophobicContact CG2-CD1 4.49Å; V102-L146 HydrophobicContact CG2-CD2 4.38Å; V102-F148 HydrophobicContact CG1-CB 3.99Å; V102-T151 HydrophobicContact CB-CG2 4.21Å; V102-T151 HydrophobicContact CG1-CG2 4.15Å; V102-L153 HydrophobicContact CG1-CD2 4.34Å |
| 103 | G | 94.3 | Very high | 95.3 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 32% | 0.32 | 21% | 0.212 | S | C | . | . | trans | 96.1 | 124.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K99 R105 R106 | K99-G103 CarbonylContact O-C 3.4Å; K99-G103 VanDerWaalsContact O-CA 3.27Å; K99-G103 WeakPolarHBondContact O-CA 3.2Å; K99-G103 PolarHBondContact O-N 2.99Å; G103-R105 PolarHBondContact O-N 2.92Å; G103-R106 WeakPolarHBondContact O-CB 3.41Å; G103-R106 PolarHBondContact O-N 3.37Å | ||
| 104 | S | 95.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 44.7 Ų | 44.7 | 35% | 0.35 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.9 | -171.3 | -33.5 | 0 | 0 | 0 | 0 | 116.5 | K99 A124 | K99-S104 PolarHBondContact O-N 2.73Å; S104-A124 VanDerWaalsContact O-CB 3.24Å; S104-A124 WeakPolarHBondContact O-CB 3.41Å; S104-A124 PolarHBondContact O-N 3.5Å |
| 105 | R | 92.6 | Very high | 94.1 | Very high | 220 Ų | 220 | 44.4 Ų | 44.4 | 83% | 0.83 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | -4.8 | 177.2 | -67.6 | -176.8 | -66.1 | 169.5 | 0.9 | 113.7 | G103 M107 | G103-R105 PolarHBondContact O-N 2.92Å; R105-M107 PolarHBondContact O-N 3.01Å |
| 106 | R | 93.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | trans | -60.4 | 129.9 | 177.7 | 176.7 | 171 | 173.6 | 156.2 | -0.4 | 109.5 | G103 V108 T122 M123 E147 S184 T185 | G103-R106 WeakPolarHBondContact O-CB 3.41Å; G103-R106 PolarHBondContact O-N 3.37Å; R106-V108 HydrophobicContact CG-CG2 4.46Å; R106-T122 CarbonylContact O-C 3.59Å; R106-T122 VanDerWaalsContact O-CA 3.27Å; R106-T122 WeakPolarHBondContact O-CA 3.36Å; R106-M123 PolarHBondContact O-N 3.05Å; R106-E147 VanDerWaalsContact CZ-O 3.29Å; R106-E147 PolarHBondContact NH1-O 3.05Å; R106-E147 VanDerWaalsContact NH1-O 3.12Å; R106-E147 PolarHBondContact NH2-O 3.36Å; R106-S184 PolarHBondContact NH1-O 2.66Å; R106-S184 PolarHBondContact NH2-O 2.97Å; R106-T185 HydrophobicContact CG-CG2 4.25Å | ||
| 107 | M | 95 | Very high | 92.7 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 142.9 | 170.4 | -66.3 | -58.5 | -58.8 | 0 | 0 | 110 | R105 E120 M121 T122 | R105-M107 PolarHBondContact O-N 3.01Å; M107-E120 HydrophobicContact CE-CB 3.7Å; M107-M121 WeakPolarHBondContact CA-O 3.3Å; M107-T122 HydrophobicContact SD-CG2 3.62Å |
| 108 | V | 94.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.6 | -178.8 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | R106 E120 M121 M123 V143 L146 | R106-V108 HydrophobicContact CG-CG2 4.46Å; V108-E120 WeakPolarHBondContact O-CA 3.45Å; V108-M121 PolarHBondContact N-O 2.94Å; V108-M121 PolarHBondContact O-N 3.37Å; V108-M121 VanDerWaalsContact O-N 3.12Å; V108-M123 HydrophobicContact CG2-CG 3.66Å; V108-M123 HydrophobicContact CG2-SD 3.65Å; V108-V143 HydrophobicContact CG1-CG1 3.67Å; V108-V143 HydrophobicContact CG1-CG2 4.1Å; V108-L146 HydrophobicContact CG1-CB 4.32Å; V108-L146 HydrophobicContact CG2-CD1 3.97Å |
| 109 | D | 93.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 126 | 169.2 | -82.1 | -71 | 0 | 0 | 0 | 109.8 | S145 K323 | D109-S145 WeakPolarHBondContact CB-OG 3.46Å; D109-K323 IonicContact OD1-NZ 3.25Å; D109-K323 PolarHBondContact OD1-NZ 3.05Å; D109-K323 WeakPolarHBondContact OD2-CE 3.09Å; D109-K323 IonicContact OD2-NZ 2.66Å; D109-K323 PolarHBondContact OD2-NZ 2.81Å |
| 110 | V | 95.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.7 | -177.5 | -168.3 | 0 | 0 | 0 | 0 | 108.5 | I119 M121 W126 Y141 N142 V143 | V110-I119 HydrophobicContact CB-CG1 4.13Å; V110-I119 PolarHBondContact N-O 2.7Å; V110-I119 WeakPolarHBondContact O-CG1 3.28Å; V110-I119 PolarHBondContact O-N 3.47Å; V110-I119 VanDerWaalsContact O-O 3.12Å; V110-M121 HydrophobicContact CB-CE 4.13Å; V110-M121 HydrophobicContact CG1-CE 4.11Å; V110-M121 HydrophobicContact CG2-CE 3.96Å; V110-M121 HydrophobicContact CG2-CG 3.7Å; V110-M121 HydrophobicContact CG2-SD 4.24Å; V110-W126 HydrophobicContact CG1-CE3 3.92Å; V110-W126 HydrophobicContact CG1-CZ3 3.76Å; V110-W126 HydrophobicContact CG2-CE3 4.4Å; V110-Y141 HydrophobicContact CG1-CD1 4.45Å; V110-Y141 HydrophobicContact CG1-CG 4.26Å; V110-N142 WeakPolarHBondContact CG1-O 3.45Å; V110-V143 HydrophobicContact CB-CG2 4.27Å; V110-V143 HydrophobicContact CG1-CG2 3.99Å; V110-V143 HydrophobicContact CG2-CG2 3.81Å |
| 111 | M | 92.9 | Very high | 91.6 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.2 | 179 | -175.6 | -175.2 | -73.3 | 0 | 0 | 110.5 | V113 Y141 N142 I144 T209 | M111-V113 PolarHBondContact O-N 3.02Å; M111-Y141 CarbonylContact O-C 3.58Å; M111-Y141 VanDerWaalsContact O-CA 3.29Å; M111-Y141 WeakPolarHBondContact O-CA 3.44Å; M111-N142 HydrophobicContact CB-CB 4.47Å; M111-N142 PolarHBondContact N-O 3.46Å; M111-N142 PolarHBondContact O-N 3.27Å; M111-I144 HydrophobicContact CE-CD1 3.85Å; M111-T209 HydrophobicContact CE-CG2 4.36Å |
| 112 | D | 92.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 107.7 | 164.6 | 179.7 | -67.2 | 0 | 0 | 0 | 108.7 | N114 T115 Q116 K117 K139 Y141 | D112-N114 VanDerWaalsContact C-N 3.26Å; D112-N114 PolarHBondContact O-N 3.3Å; D112-N114 PolarHBondContact OD1-N 2.82Å; D112-T115 WeakPolarHBondContact CB-OG1 3.45Å; D112-T115 VanDerWaalsContact CG-OG1 3.24Å; D112-T115 PolarHBondContact O-N 3.37Å; D112-T115 VanDerWaalsContact O-N 3.17Å; D112-T115 PolarHBondContact OD1-N 3.02Å; D112-T115 VanDerWaalsContact OD1-N 3.09Å; D112-T115 PolarHBondContact OD1-OG1 2.87Å; D112-Q116 WeakPolarHBondContact O-CA 3.34Å; D112-Q116 PolarHBondContact O-N 3.2Å; D112-K117 PolarHBondContact N-O 3.15Å; D112-K139 IonicContact OD2-NZ 2.7Å; D112-K139 PolarHBondContact OD2-NZ 2.67Å; D112-Y141 HydrophobicContact CB-CD1 4.26Å; D112-Y141 HydrophobicContact CB-CE1 4.14Å |
| 113 | V | 90.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -30.4 | -168.4 | 165.2 | 0 | 0 | 0 | 0 | 112.9 | M111 T115 Q116 L140 N142 C207 | M111-V113 PolarHBondContact O-N 3.02Å; V113-T115 VanDerWaalsContact C-N 3.35Å; V113-Q116 PolarHBondContact O-NE2 3.39Å; V113-L140 HydrophobicContact CB-CB 3.87Å; V113-L140 HydrophobicContact CG1-CB 4.28Å; V113-L140 HydrophobicContact CG1-CD1 4.49Å; V113-L140 HydrophobicContact CG2-CB 4.29Å; V113-L140 PolarHBondContact N-O 2.99Å; V113-N142 HydrophobicContact CG2-CB 3.86Å; V113-C207 HydrophobicContact CG2-CB 4.16Å |
| 114 | N | 85.9 | Confident | 91.9 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -35.1 | -179.6 | -65 | -3.7 | 0 | 0 | 0 | 110.8 | D112 | D112-N114 VanDerWaalsContact C-N 3.26Å; D112-N114 PolarHBondContact O-N 3.3Å; D112-N114 PolarHBondContact OD1-N 2.82Å |
| 115 | T | 83.8 | Confident | 92 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -3.2 | -175.1 | 62.6 | 0 | 0 | 0 | 0 | 115 | D112 V113 K117 | D112-T115 WeakPolarHBondContact CB-OG1 3.45Å; D112-T115 VanDerWaalsContact CG-OG1 3.24Å; D112-T115 PolarHBondContact O-N 3.37Å; D112-T115 VanDerWaalsContact O-N 3.17Å; D112-T115 PolarHBondContact OD1-N 3.02Å; D112-T115 VanDerWaalsContact OD1-N 3.09Å; D112-T115 PolarHBondContact OD1-OG1 2.87Å; V113-T115 VanDerWaalsContact C-N 3.35Å; T115-K117 WeakPolarHBondContact O-CG 3.4Å; T115-K117 PolarHBondContact O-N 3.35Å; T115-K117 VanDerWaalsContact O-N 3.09Å |
| 116 | Q | 81.8 | Confident | 92.3 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 24.6 | -171.3 | -59.4 | -70.1 | -65.9 | 0 | 0 | 113.8 | D112 V113 Y208 D210 | D112-Q116 WeakPolarHBondContact O-CA 3.34Å; D112-Q116 PolarHBondContact O-N 3.2Å; V113-Q116 PolarHBondContact O-NE2 3.39Å; Q116-Y208 PolarHBondContact NE2-O 2.99Å; Q116-D210 VanDerWaalsContact OE1-N 3.14Å |
| 117 | K | 83.9 | Confident | 92.5 | Very high | 124 Ų | 124 | 45.8 Ų | 45.8 | 54% | 0.539 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.8 | -176 | -74.2 | 156 | -160.9 | 159.1 | 0 | 111.4 | D112 T115 | D112-K117 PolarHBondContact N-O 3.15Å; T115-K117 WeakPolarHBondContact O-CG 3.4Å; T115-K117 PolarHBondContact O-N 3.35Å; T115-K117 VanDerWaalsContact O-N 3.09Å |
| 118 | G | 85.6 | Confident | 92.6 | Very high | 58 Ų | 58 | 50 Ų | 50 | 60% | 0.598 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 135 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 119 | I | 92.4 | Very high | 92.7 | Very high | 63 Ų | 63 | 51 Ų | 51 | 32% | 0.323 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 163.6 | 165.1 | 64.2 | 168.1 | 0 | 0 | 0 | 109.1 | V110 M121 Y141 | V110-I119 HydrophobicContact CB-CG1 4.13Å; V110-I119 PolarHBondContact N-O 2.7Å; V110-I119 WeakPolarHBondContact O-CG1 3.28Å; V110-I119 PolarHBondContact O-N 3.47Å; V110-I119 VanDerWaalsContact O-O 3.12Å; I119-M121 HydrophobicContact CD1-CE 3.8Å; I119-M121 HydrophobicContact CG1-CE 4.47Å; I119-Y141 HydrophobicContact CD1-CD1 4.04Å; I119-Y141 HydrophobicContact CD1-CE1 3.42Å; I119-Y141 VanDerWaalsContact CD1-CE1 3.42Å; I119-Y141 HydrophobicContact CG1-CE1 4.45Å |
| 120 | E | 92.3 | Very high | 92.9 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.8 | 179.6 | -65.4 | 178 | 173.3 | 0 | 0 | 110.5 | M107 V108 K323 | M107-E120 HydrophobicContact CE-CB 3.7Å; V108-E120 WeakPolarHBondContact O-CA 3.45Å; E120-K323 IonicContact OE1-NZ 2.98Å; E120-K323 PolarHBondContact OE1-NZ 3.3Å |
| 121 | M | 96.2 | Very high | 92.9 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 168.3 | 172.4 | 72.7 | -180 | 76.9 | 0 | 0 | 112 | M107 V108 V110 I119 Q125 W126 Y141 | M107-M121 WeakPolarHBondContact CA-O 3.3Å; V108-M121 PolarHBondContact N-O 2.94Å; V108-M121 PolarHBondContact O-N 3.37Å; V108-M121 VanDerWaalsContact O-N 3.12Å; V110-M121 HydrophobicContact CB-CE 4.13Å; V110-M121 HydrophobicContact CG1-CE 4.11Å; V110-M121 HydrophobicContact CG2-CE 3.96Å; V110-M121 HydrophobicContact CG2-CG 3.7Å; V110-M121 HydrophobicContact CG2-SD 4.24Å; I119-M121 HydrophobicContact CD1-CE 3.8Å; I119-M121 HydrophobicContact CG1-CE 4.47Å; M121-Q125 HydrophobicContact CB-CB 4.22Å; M121-Q125 HydrophobicContact CG-CB 4.26Å; M121-Q125 HydrophobicContact SD-CB 4.01Å; M121-W126 HydrophobicContact CG-CB 4.4Å; M121-W126 HydrophobicContact SD-CB 4.2Å; M121-W126 HydrophobicContact SD-CE3 4.48Å; M121-Y141 HydrophobicContact CE-CD2 4.37Å; M121-Y141 HydrophobicContact CE-CE2 4.4Å |
| 122 | T | 97.6 | Very high | 93.1 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 152.9 | 175.7 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | R106 M107 A124 Q125 W126 | R106-T122 CarbonylContact O-C 3.59Å; R106-T122 VanDerWaalsContact O-CA 3.27Å; R106-T122 WeakPolarHBondContact O-CA 3.36Å; M107-T122 HydrophobicContact SD-CG2 3.62Å; T122-A124 PolarHBondContact O-N 2.9Å; T122-A124 VanDerWaalsContact O-N 3.14Å; T122-Q125 WeakPolarHBondContact O-CA 3.28Å; T122-Q125 WeakPolarHBondContact O-CB 3.23Å; T122-Q125 PolarHBondContact O-N 3.13Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.4Å; T122-Q125 PolarHBondContact OG1-OE1 2.96Å; T122-W126 PolarHBondContact O-N 3.42Å |
| 123 | M | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53 | -33.5 | 171.8 | -83 | -59.6 | -64.8 | 0 | 0 | 113.4 | V98 K99 V102 R106 V108 Q125 W126 T127 L146 M202 | V98-M123 HydrophobicContact CB-CE 4.28Å; V98-M123 HydrophobicContact CG1-CE 3.84Å; K99-M123 HydrophobicContact CB-CB 4.22Å; K99-M123 HydrophobicContact CB-CE 3.81Å; K99-M123 HydrophobicContact CG-CB 4.14Å; V102-M123 HydrophobicContact CG2-CE 4.48Å; V102-M123 HydrophobicContact CG2-CG 3.72Å; V102-M123 HydrophobicContact CG2-SD 4.44Å; R106-M123 PolarHBondContact O-N 3.05Å; V108-M123 HydrophobicContact CG2-CG 3.66Å; V108-M123 HydrophobicContact CG2-SD 3.65Å; M123-Q125 VanDerWaalsContact C-N 3.3Å; M123-Q125 PolarHBondContact O-N 2.88Å; M123-W126 PolarHBondContact O-N 3.47Å; M123-T127 WeakPolarHBondContact O-CB 3.22Å; M123-T127 PolarHBondContact O-N 3.46Å; M123-T127 PolarHBondContact O-OG1 3.03Å; M123-T127 VanDerWaalsContact O-OG1 3.04Å; M123-L146 HydrophobicContact CE-CD2 4.27Å; M123-L146 HydrophobicContact SD-CD2 3.82Å; M123-M202 HydrophobicContact CE-CE 4.09Å; M123-M202 HydrophobicContact CE-SD 4.16Å; M123-M202 HydrophobicContact SD-CE 4.13Å |
| 124 | A | 96.5 | Very high | 93.4 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.7 | -31.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S104 T122 | S104-A124 VanDerWaalsContact O-CB 3.24Å; S104-A124 WeakPolarHBondContact O-CB 3.41Å; S104-A124 PolarHBondContact O-N 3.5Å; T122-A124 PolarHBondContact O-N 2.9Å; T122-A124 VanDerWaalsContact O-N 3.14Å |
| 125 | Q | 97.3 | Very high | 93.7 | Very high | 107 Ų | 107 | 67 Ų | 67 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -79.2 | -43.6 | 174.5 | -67.5 | 163.1 | -83.3 | 0 | 0 | 110.7 | M121 T122 M123 R128 Y129 | M121-Q125 HydrophobicContact CB-CB 4.22Å; M121-Q125 HydrophobicContact CG-CB 4.26Å; M121-Q125 HydrophobicContact SD-CB 4.01Å; T122-Q125 WeakPolarHBondContact O-CA 3.28Å; T122-Q125 WeakPolarHBondContact O-CB 3.23Å; T122-Q125 PolarHBondContact O-N 3.13Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.4Å; T122-Q125 PolarHBondContact OG1-OE1 2.96Å; M123-Q125 VanDerWaalsContact C-N 3.3Å; M123-Q125 PolarHBondContact O-N 2.88Å; Q125-R128 PolarHBondContact O-N 3.35Å; Q125-Y129 PolarHBondContact O-N 2.93Å |
| 126 | W | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59 | -52 | 176.9 | 172.3 | -109.1 | 0 | 0 | 0 | 112.2 | V110 M121 T122 M123 R128 Y129 Y130 Y141 V143 M202 | V110-W126 HydrophobicContact CG1-CE3 3.92Å; V110-W126 HydrophobicContact CG1-CZ3 3.76Å; V110-W126 HydrophobicContact CG2-CE3 4.4Å; M121-W126 HydrophobicContact CG-CB 4.4Å; M121-W126 HydrophobicContact SD-CB 4.2Å; M121-W126 HydrophobicContact SD-CE3 4.48Å; T122-W126 PolarHBondContact O-N 3.42Å; M123-W126 PolarHBondContact O-N 3.47Å; W126-R128 VanDerWaalsContact C-N 3.3Å; W126-R128 PolarHBondContact O-N 2.95Å; W126-Y129 AromaticContact CE3-CD1 3.81Å; W126-Y129 HydrophobicContact CE3-CD1 3.81Å; W126-Y129 HydrophobicContact CE3-CE1 4.46Å; W126-Y129 AromaticContact CH2-CD1 4Å; W126-Y129 HydrophobicContact CH2-CD1 4Å; W126-Y129 AromaticContact CH2-CE1 3.96Å; W126-Y129 HydrophobicContact CH2-CE1 3.96Å; W126-Y129 AromaticContact CZ3-CD1 3.43Å; W126-Y129 HydrophobicContact CZ3-CD1 3.43Å; W126-Y129 VanDerWaalsContact CZ3-CD1 3.43Å; W126-Y129 AromaticContact CZ3-CE1 3.64Å; W126-Y129 HydrophobicContact CZ3-CE1 3.64Å; W126-Y129 WeakPolarHBondContact O-CB 3.5Å; W126-Y129 PolarHBondContact O-N 3.41Å; W126-Y130 HydrophobicContact CH2-CD2 4.39Å; W126-Y130 AromaticContact CZ2-CD2 3.69Å; W126-Y130 HydrophobicContact CZ2-CD2 3.69Å; W126-Y130 HydrophobicContact CZ2-CE2 4.4Å; W126-Y130 PolarHBondContact O-N 2.9Å; W126-Y141 WeakPolarHBondContact CH2-O 3.46Å; W126-V143 HydrophobicContact CD2-CG2 3.51Å; W126-V143 HydrophobicContact CE3-CG2 3.69Å; W126-V143 HydrophobicContact CG-CG2 4.13Å; W126-V143 HydrophobicContact CH2-CB 4.47Å; W126-V143 HydrophobicContact CH2-CG2 3.94Å; W126-V143 HydrophobicContact CZ2-CB 4.09Å; W126-V143 HydrophobicContact CZ2-CG2 3.77Å; W126-V143 HydrophobicContact CZ3-CG2 3.89Å; W126-M202 HydrophobicContact CZ2-CB 3.67Å; W126-M202 WeakPolarHBondContact CZ2-O 3.25Å; W126-M202 PolarHBondContact NE1-SD 2.86Å |
| 127 | T | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | V95 N96 K99 M123 Y129 Y130 E131 | V95-T127 HydrophobicContact CG1-CG2 4.25Å; V95-T127 PolarHBondContact O-OG1 2.81Å; N96-T127 HydrophobicContact CB-CG2 4.12Å; K99-T127 WeakPolarHBondContact CB-OG1 3.34Å; K99-T127 HydrophobicContact CD-CG2 4.17Å; K99-T127 VanDerWaalsContact NZ-CG2 3.34Å; M123-T127 WeakPolarHBondContact O-CB 3.22Å; M123-T127 PolarHBondContact O-N 3.46Å; M123-T127 PolarHBondContact O-OG1 3.03Å; M123-T127 VanDerWaalsContact O-OG1 3.04Å; T127-Y129 VanDerWaalsContact C-N 3.3Å; T127-Y129 PolarHBondContact O-N 3.5Å; T127-Y130 PolarHBondContact O-N 3.36Å; T127-E131 HydrophobicContact CG2-CG 4.13Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.02Å; T127-E131 WeakPolarHBondContact O-CB 3.33Å; T127-E131 VanDerWaalsContact O-CG 3.23Å; T127-E131 WeakPolarHBondContact O-CG 3.24Å; T127-E131 PolarHBondContact O-N 3.31Å |
| 128 | R | 97.4 | Very high | 95 | Very high | 183 Ų | 183 | 71.8 Ų | 71.8 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.7 | -38.5 | 176.2 | -177.2 | -175.9 | 177.2 | 81.1 | 15.7 | 112.1 | Q125 W126 T132 | Q125-R128 PolarHBondContact O-N 3.35Å; W126-R128 VanDerWaalsContact C-N 3.3Å; W126-R128 PolarHBondContact O-N 2.95Å; R128-T132 PolarHBondContact O-N 2.86Å; R128-T132 PolarHBondContact O-OG1 3.37Å |
| 129 | Y | 97.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 73.3 Ų | 73.3 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 175.7 | 164.8 | -94.9 | 0 | 0 | 0 | 111.4 | Q125 W126 T127 E131 T132 R137 K139 L140 Y141 V204 | Q125-Y129 PolarHBondContact O-N 2.93Å; W126-Y129 AromaticContact CE3-CD1 3.81Å; W126-Y129 HydrophobicContact CE3-CD1 3.81Å; W126-Y129 HydrophobicContact CE3-CE1 4.46Å; W126-Y129 AromaticContact CH2-CD1 4Å; W126-Y129 HydrophobicContact CH2-CD1 4Å; W126-Y129 AromaticContact CH2-CE1 3.96Å; W126-Y129 HydrophobicContact CH2-CE1 3.96Å; W126-Y129 AromaticContact CZ3-CD1 3.43Å; W126-Y129 HydrophobicContact CZ3-CD1 3.43Å; W126-Y129 VanDerWaalsContact CZ3-CD1 3.43Å; W126-Y129 AromaticContact CZ3-CE1 3.64Å; W126-Y129 HydrophobicContact CZ3-CE1 3.64Å; W126-Y129 WeakPolarHBondContact O-CB 3.5Å; W126-Y129 PolarHBondContact O-N 3.41Å; T127-Y129 VanDerWaalsContact C-N 3.3Å; T127-Y129 PolarHBondContact O-N 3.5Å; Y129-E131 PolarHBondContact O-N 2.95Å; Y129-T132 VanDerWaalsContact O-CB 3.24Å; Y129-T132 WeakPolarHBondContact O-CB 3.07Å; Y129-T132 PolarHBondContact O-N 3.35Å; Y129-T132 VanDerWaalsContact O-N 3.1Å; Y129-R137 HydrophobicContact CE2-CB 4.2Å; Y129-R137 HydrophobicContact CE2-CG 4.1Å; Y129-K139 VanDerWaalsContact CE2-O 3.25Å; Y129-K139 WeakPolarHBondContact CE2-O 3.22Å; Y129-K139 PolarHBondContact OH-O 3.17Å; Y129-L140 WeakPolarHBondContact OH-CA 3.5Å; Y129-Y141 HydrophobicContact CD1-CD2 4.38Å; Y129-Y141 AromaticContact CD2-CD2 3.88Å; Y129-Y141 HydrophobicContact CD2-CD2 3.88Å; Y129-Y141 HydrophobicContact CD2-CE2 4.49Å; Y129-Y141 HydrophobicContact CE1-CD2 4.19Å; Y129-Y141 HydrophobicContact CE1-CG 4.47Å; Y129-Y141 AromaticContact CE2-CD2 3.66Å; Y129-Y141 HydrophobicContact CE2-CD2 3.66Å; Y129-Y141 HydrophobicContact CE2-CE2 4.42Å; Y129-Y141 HydrophobicContact CE2-CG 4.5Å; Y129-Y141 HydrophobicContact CG-CD2 4.24Å; Y129-Y141 AromaticContact CZ-CD2 3.83Å; Y129-Y141 PolarHBondContact OH-N 3.09Å; Y129-V204 HydrophobicContact CE1-CG1 4.02Å; Y129-V204 HydrophobicContact CE1-CG2 4.26Å |
| 130 | Y | 97.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 177.1 | -161.8 | -84.7 | 0 | 0 | 0 | 111.6 | V95 W126 T127 T132 R137 M202 V204 D291 T292 | V95-Y130 HydrophobicContact CB-CD1 4.02Å; V95-Y130 HydrophobicContact CB-CE1 4.34Å; V95-Y130 HydrophobicContact CB-CG 4.29Å; V95-Y130 HydrophobicContact CG1-CD1 4.35Å; V95-Y130 HydrophobicContact CG1-CG 4.13Å; V95-Y130 HydrophobicContact CG2-CD1 3.73Å; V95-Y130 HydrophobicContact CG2-CD2 4.15Å; V95-Y130 HydrophobicContact CG2-CE1 3.62Å; V95-Y130 HydrophobicContact CG2-CE2 4.04Å; V95-Y130 HydrophobicContact CG2-CG 3.99Å; W126-Y130 HydrophobicContact CH2-CD2 4.39Å; W126-Y130 AromaticContact CZ2-CD2 3.69Å; W126-Y130 HydrophobicContact CZ2-CD2 3.69Å; W126-Y130 HydrophobicContact CZ2-CE2 4.4Å; W126-Y130 PolarHBondContact O-N 2.9Å; T127-Y130 PolarHBondContact O-N 3.36Å; Y130-T132 PolarHBondContact O-N 2.87Å; Y130-R137 PolarHBondContact O-NH2 3.45Å; Y130-M202 HydrophobicContact CE2-CB 4.27Å; Y130-V204 HydrophobicContact CD2-CG1 3.73Å; Y130-V204 HydrophobicContact CE2-CG1 4Å; Y130-V204 HydrophobicContact CG-CG1 4.4Å; Y130-D291 HydrophobicContact CE1-CB 4.43Å; Y130-T292 PolarHBondContact OH-N 3.41Å; Y130-T292 PolarHBondContact OH-O 3.14Å |
| 131 | E | 96.1 | Very high | 95.7 | Very high | 117 Ų | 117 | 69.2 Ų | 69.2 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -4.7 | 174.6 | -68.4 | 165.3 | 172.4 | 0 | 0 | 114.3 | T127 Y129 | T127-E131 HydrophobicContact CG2-CG 4.13Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.02Å; T127-E131 WeakPolarHBondContact O-CB 3.33Å; T127-E131 VanDerWaalsContact O-CG 3.23Å; T127-E131 WeakPolarHBondContact O-CG 3.24Å; T127-E131 PolarHBondContact O-N 3.31Å; Y129-E131 PolarHBondContact O-N 2.95Å |
| 132 | T | 96.6 | Very high | 95.7 | Very high | 29 Ų | 29 | 68.3 Ų | 68.3 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -81.6 | 132.7 | 175.9 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | R128 Y129 Y130 E136 R137 | R128-T132 PolarHBondContact O-N 2.86Å; R128-T132 PolarHBondContact O-OG1 3.37Å; Y129-T132 VanDerWaalsContact O-CB 3.24Å; Y129-T132 WeakPolarHBondContact O-CB 3.07Å; Y129-T132 PolarHBondContact O-N 3.35Å; Y129-T132 VanDerWaalsContact O-N 3.1Å; Y130-T132 PolarHBondContact O-N 2.87Å; T132-E136 HydrophobicContact CG2-CB 3.5Å; T132-E136 VanDerWaalsContact CG2-CB 3.5Å; T132-R137 HydrophobicContact CG2-CG 4.34Å; T132-R137 PolarHBondContact O-NE 2.78Å; T132-R137 PolarHBondContact O-NH2 2.79Å; T132-R137 VanDerWaalsContact O-NH2 3.12Å |
| 133 | P | 96.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 67 Ų | 67 | 41% | 0.409 | 32% | 0.315 | S | S | . | . | trans | -54.3 | 148.1 | 177.5 | -26.7 | 35.3 | 0 | 0 | 0 | 113.1 | E135 E136 R137 | P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 HydrophobicContact CB-CG 4.27Å; P133-E135 PolarHBondContact O-N 3.39Å; P133-E136 PolarHBondContact O-N 3.46Å; P133-R137 WeakPolarHBondContact O-CG 3.43Å; P133-R137 PolarHBondContact O-N 3.28Å | ||
| 134 | E | 93 | Very high | 95.6 | Very high | 97 Ų | 97 | 69.4 Ų | 69.4 | 45% | 0.453 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -52.7 | -43.7 | -174 | -168.2 | 178.8 | 164.3 | 0 | 0 | 112.8 | E136 R137 R205 | E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.42Å; E134-R137 WeakPolarHBondContact O-CB 3.44Å; E134-R137 PolarHBondContact O-N 3.48Å; E134-R205 IonicContact OE1-CZ 3.52Å; E134-R205 IonicContact OE1-NE 2.79Å; E134-R205 IonicContact OE1-NH1 3.32Å; E134-R205 PolarHBondContact OE1-NH1 3.16Å; E134-R205 WeakPolarHBondContact OE2-CD 3.48Å; E134-R205 IonicContact OE2-CZ 3.55Å; E134-R205 IonicContact OE2-NH1 3.58Å; E134-R205 PolarHBondContact OE2-NH1 3.23Å |
| 135 | E | 93.1 | Very high | 95.5 | Very high | 184 Ų | 184 | 69.4 Ų | 69.4 | 86% | 0.86 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -67.4 | -19.7 | 177.3 | 66.3 | -155.5 | 160.9 | 0 | 0 | 115.1 | P133 | P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 HydrophobicContact CB-CG 4.27Å; P133-E135 PolarHBondContact O-N 3.39Å |
| 136 | E | 94.7 | Very high | 95.6 | Very high | 136 Ų | 136 | 64.4 Ų | 64.4 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -94.9 | -5.3 | 175.8 | -70.6 | -165.5 | 173.3 | 0 | 0 | 113.1 | T132 P133 E134 E138 | T132-E136 HydrophobicContact CG2-CB 3.5Å; T132-E136 VanDerWaalsContact CG2-CB 3.5Å; P133-E136 PolarHBondContact O-N 3.46Å; E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.42Å; E136-E138 PolarHBondContact O-N 3.13Å |
| 137 | R | 93 | Very high | 95.5 | Very high | 32 Ų | 32 | 64.4 Ų | 64.4 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | trans | -75.8 | 95.9 | -177.5 | -68 | 172.1 | -171.4 | 168.4 | -8.5 | 111.1 | Y129 Y130 T132 P133 E134 K139 D291 | Y129-R137 HydrophobicContact CE2-CB 4.2Å; Y129-R137 HydrophobicContact CE2-CG 4.1Å; Y130-R137 PolarHBondContact O-NH2 3.45Å; T132-R137 HydrophobicContact CG2-CG 4.34Å; T132-R137 PolarHBondContact O-NE 2.78Å; T132-R137 PolarHBondContact O-NH2 2.79Å; T132-R137 VanDerWaalsContact O-NH2 3.12Å; P133-R137 WeakPolarHBondContact O-CG 3.43Å; P133-R137 PolarHBondContact O-N 3.28Å; E134-R137 WeakPolarHBondContact O-CB 3.44Å; E134-R137 PolarHBondContact O-N 3.48Å; R137-K139 PolarHBondContact O-N 3.12Å; R137-D291 IonicContact CZ-OD1 2.84Å; R137-D291 IonicContact CZ-OD2 2.67Å; R137-D291 IonicContact NH1-OD1 2.62Å; R137-D291 PolarHBondContact NH1-OD1 3Å; R137-D291 IonicContact NH1-OD2 3.3Å; R137-D291 PolarHBondContact NH1-OD2 2.69Å; R137-D291 IonicContact NH2-OD1 2.96Å; R137-D291 IonicContact NH2-OD2 3.85Å; R137-D291 PolarHBondContact NH2-OD2 2.81Å | ||
| 138 | E | 88.6 | Confident | 95.5 | Very high | 165 Ų | 165 | 64.4 Ų | 64.4 | 77% | 0.771 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -50.6 | -22 | 175.9 | -70.2 | -169.8 | 159 | 0 | 0 | 114.6 | E136 R599 | E136-E138 PolarHBondContact O-N 3.13Å; E138-R599 IonicContact OE1-NH2 3.78Å |
| 139 | K | 92.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 55.7 Ų | 55.7 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -151.3 | 157.6 | -179.2 | -77.7 | -169.3 | 156.6 | -153.2 | 0 | 111.8 | D112 Y129 R137 Y141 | D112-K139 IonicContact OD2-NZ 2.7Å; D112-K139 PolarHBondContact OD2-NZ 2.67Å; Y129-K139 VanDerWaalsContact CE2-O 3.25Å; Y129-K139 WeakPolarHBondContact CE2-O 3.22Å; Y129-K139 PolarHBondContact OH-O 3.17Å; R137-K139 PolarHBondContact O-N 3.12Å; K139-Y141 HydrophobicContact CB-CD2 4.36Å; K139-Y141 HydrophobicContact CB-CE1 4.28Å; K139-Y141 HydrophobicContact CB-CE2 3.99Å; K139-Y141 HydrophobicContact CD-CE1 3.96Å; K139-Y141 HydrophobicContact CD-CE2 4.46Å; K139-Y141 WeakPolarHBondContact CD-OH 3.39Å |
| 140 | L | 94.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | trans | -90.1 | 118.3 | 165.4 | -68.8 | 176 | 0 | 0 | 0 | 110.8 | V113 Y129 V204 R205 | V113-L140 HydrophobicContact CB-CB 3.87Å; V113-L140 HydrophobicContact CG1-CB 4.28Å; V113-L140 HydrophobicContact CG1-CD1 4.49Å; V113-L140 HydrophobicContact CG2-CB 4.29Å; V113-L140 PolarHBondContact N-O 2.99Å; Y129-L140 WeakPolarHBondContact OH-CA 3.5Å; L140-V204 HydrophobicContact CD2-CG2 4.15Å; L140-R205 WeakPolarHBondContact CD2-O 3.49Å | ||
| 141 | Y | 97.1 | Very high | 95.2 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142 | 178.3 | -68.4 | -51.7 | 0 | 0 | 0 | 111 | V110 M111 D112 I119 M121 W126 Y129 K139 C207 | V110-Y141 HydrophobicContact CG1-CD1 4.45Å; V110-Y141 HydrophobicContact CG1-CG 4.26Å; M111-Y141 CarbonylContact O-C 3.58Å; M111-Y141 VanDerWaalsContact O-CA 3.29Å; M111-Y141 WeakPolarHBondContact O-CA 3.44Å; D112-Y141 HydrophobicContact CB-CD1 4.26Å; D112-Y141 HydrophobicContact CB-CE1 4.14Å; I119-Y141 HydrophobicContact CD1-CD1 4.04Å; I119-Y141 HydrophobicContact CD1-CE1 3.42Å; I119-Y141 VanDerWaalsContact CD1-CE1 3.42Å; I119-Y141 HydrophobicContact CG1-CE1 4.45Å; M121-Y141 HydrophobicContact CE-CD2 4.37Å; M121-Y141 HydrophobicContact CE-CE2 4.4Å; W126-Y141 WeakPolarHBondContact CH2-O 3.46Å; Y129-Y141 HydrophobicContact CD1-CD2 4.38Å; Y129-Y141 AromaticContact CD2-CD2 3.88Å; Y129-Y141 HydrophobicContact CD2-CD2 3.88Å; Y129-Y141 HydrophobicContact CD2-CE2 4.49Å; Y129-Y141 HydrophobicContact CE1-CD2 4.19Å; Y129-Y141 HydrophobicContact CE1-CG 4.47Å; Y129-Y141 AromaticContact CE2-CD2 3.66Å; Y129-Y141 HydrophobicContact CE2-CD2 3.66Å; Y129-Y141 HydrophobicContact CE2-CE2 4.42Å; Y129-Y141 HydrophobicContact CE2-CG 4.5Å; Y129-Y141 HydrophobicContact CG-CD2 4.24Å; Y129-Y141 AromaticContact CZ-CD2 3.83Å; Y129-Y141 PolarHBondContact OH-N 3.09Å; K139-Y141 HydrophobicContact CB-CD2 4.36Å; K139-Y141 HydrophobicContact CB-CE1 4.28Å; K139-Y141 HydrophobicContact CB-CE2 3.99Å; K139-Y141 HydrophobicContact CD-CE1 3.96Å; K139-Y141 HydrophobicContact CD-CE2 4.46Å; K139-Y141 WeakPolarHBondContact CD-OH 3.39Å; Y141-C207 PolarHBondContact O-SG 3.35Å |
| 142 | N | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.011 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.9 | -177 | -168.7 | 11 | 0 | 0 | 0 | 111.5 | V110 M111 V113 I144 M202 S203 C207 T209 | V110-N142 WeakPolarHBondContact CG1-O 3.45Å; M111-N142 HydrophobicContact CB-CB 4.47Å; M111-N142 PolarHBondContact N-O 3.46Å; M111-N142 PolarHBondContact O-N 3.27Å; V113-N142 HydrophobicContact CG2-CB 3.86Å; N142-I144 WeakPolarHBondContact ND2-CG2 3.37Å; N142-M202 PolarHBondContact OD1-O 2.81Å; N142-S203 VanDerWaalsContact OD1-CB 3.32Å; N142-S203 WeakPolarHBondContact OD1-CB 3.3Å; N142-S203 PolarHBondContact OD1-OG 2.95Å; N142-C207 HydrophobicContact CB-CB 4.21Å; N142-T209 PolarHBondContact ND2-OG1 2.7Å; N142-T209 VanDerWaalsContact ND2-OG1 3.13Å |
| 143 | V | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.3 | 170.7 | 174.3 | 0 | 0 | 0 | 0 | 109.6 | V108 V110 W126 L146 L201 M202 | V108-V143 HydrophobicContact CG1-CG1 3.67Å; V108-V143 HydrophobicContact CG1-CG2 4.1Å; V110-V143 HydrophobicContact CB-CG2 4.27Å; V110-V143 HydrophobicContact CG1-CG2 3.99Å; V110-V143 HydrophobicContact CG2-CG2 3.81Å; W126-V143 HydrophobicContact CD2-CG2 3.51Å; W126-V143 HydrophobicContact CE3-CG2 3.69Å; W126-V143 HydrophobicContact CG-CG2 4.13Å; W126-V143 HydrophobicContact CH2-CB 4.47Å; W126-V143 HydrophobicContact CH2-CG2 3.94Å; W126-V143 HydrophobicContact CZ2-CB 4.09Å; W126-V143 HydrophobicContact CZ2-CG2 3.77Å; W126-V143 HydrophobicContact CZ3-CG2 3.89Å; V143-L146 HydrophobicContact CG1-CB 4.02Å; V143-L201 CarbonylContact O-C 3.33Å; V143-L201 VanDerWaalsContact O-CA 3.28Å; V143-L201 WeakPolarHBondContact O-CA 3.09Å; V143-M202 HydrophobicContact CB-CB 4.38Å; V143-M202 HydrophobicContact CB-CE 4.04Å; V143-M202 HydrophobicContact CG1-CE 3.64Å; V143-M202 HydrophobicContact CG2-CE 4.5Å; V143-M202 PolarHBondContact N-O 2.87Å; V143-M202 PolarHBondContact O-N 2.99Å |
| 144 | I | 95.9 | Very high | 94.9 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | -2.1 | -179.1 | 64.1 | 176.3 | 0 | 0 | 0 | 113.8 | M111 N142 L201 T209 | M111-I144 HydrophobicContact CE-CD1 3.85Å; N142-I144 WeakPolarHBondContact ND2-CG2 3.37Å; I144-L201 HydrophobicContact CB-CD2 3.83Å; I144-L201 HydrophobicContact CB-CG 4.42Å; I144-L201 HydrophobicContact CG2-CD2 4.05Å; I144-T209 HydrophobicContact CD1-CG2 4.32Å |
| 145 | S | 94.5 | Very high | 94.9 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 18.4 | -164.6 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | D109 E147 | D109-S145 WeakPolarHBondContact CB-OG 3.46Å; S145-E147 PolarHBondContact O-N 3.3Å |
| 146 | L | 97.6 | Very high | 95 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 87.6 | 175.9 | 176.7 | 59.8 | 0 | 0 | 0 | 111.3 | V98 V102 V108 M123 V143 F148 Y199 C200 M202 | V98-L146 HydrophobicContact CG1-CD2 3.74Å; V102-L146 HydrophobicContact CG2-CD1 4.49Å; V102-L146 HydrophobicContact CG2-CD2 4.38Å; V108-L146 HydrophobicContact CG1-CB 4.32Å; V108-L146 HydrophobicContact CG2-CD1 3.97Å; M123-L146 HydrophobicContact CE-CD2 4.27Å; M123-L146 HydrophobicContact SD-CD2 3.82Å; V143-L146 HydrophobicContact CG1-CB 4.02Å; L146-F148 PolarHBondContact O-N 3.3Å; L146-Y199 WeakPolarHBondContact O-CA 3.29Å; L146-C200 WeakPolarHBondContact CB-O 3.42Å; L146-C200 HydrophobicContact CD2-CB 4.33Å; L146-C200 HydrophobicContact CG-CB 4.43Å; L146-C200 PolarHBondContact O-N 3.17Å; L146-M202 HydrophobicContact CB-CE 4.47Å; L146-M202 HydrophobicContact CD2-CE 3.53Å |
| 147 | E | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121.7 | 173.2 | -146.8 | -74.7 | 167.6 | 0 | 0 | 110.6 | R106 S145 S149 N186 K195 Q197 K198 Y199 | R106-E147 VanDerWaalsContact CZ-O 3.29Å; R106-E147 PolarHBondContact NH1-O 3.05Å; R106-E147 VanDerWaalsContact NH1-O 3.12Å; R106-E147 PolarHBondContact NH2-O 3.36Å; S145-E147 PolarHBondContact O-N 3.3Å; E147-S149 WeakPolarHBondContact OE1-CB 3.49Å; E147-S149 PolarHBondContact OE1-OG 2.75Å; E147-S149 WeakPolarHBondContact OE2-CB 3.49Å; E147-S149 PolarHBondContact OE2-N 2.81Å; E147-S149 PolarHBondContact OE2-OG 2.55Å; E147-N186 WeakPolarHBondContact CB-ND2 3.33Å; E147-N186 WeakPolarHBondContact CB-OD1 3.37Å; E147-K195 IonicContact OE2-NZ 3.95Å; E147-K195 PolarHBondContact OE2-NZ 2.97Å; E147-Q197 PolarHBondContact OE1-N 3.21Å; E147-K198 CarbonylContact C-O 3.48Å; E147-K198 VanDerWaalsContact CA-O 3.25Å; E147-K198 WeakPolarHBondContact CA-O 3.46Å; E147-K198 WeakPolarHBondContact CG-O 3.46Å; E147-K198 PolarHBondContact OE1-N 3.47Å; E147-Y199 HydrophobicContact CB-CD1 3.84Å; E147-Y199 HydrophobicContact CB-CE1 3.58Å; E147-Y199 HydrophobicContact CG-CD1 4.13Å; E147-Y199 HydrophobicContact CG-CD2 4.4Å; E147-Y199 HydrophobicContact CG-CE1 3.89Å; E147-Y199 HydrophobicContact CG-CE2 4.18Å; E147-Y199 HydrophobicContact CG-CG 4.38Å |
| 148 | F | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -112.9 | 11.7 | -167.5 | 64.9 | -96.1 | 0 | 0 | 0 | 115.4 | V102 L146 T151 L153 V157 K198 Y199 C200 F295 | V102-F148 HydrophobicContact CG1-CB 3.99Å; L146-F148 PolarHBondContact O-N 3.3Å; F148-T151 WeakPolarHBondContact O-CB 3.32Å; F148-T151 WeakPolarHBondContact O-CG2 3.39Å; F148-T151 PolarHBondContact O-N 3.48Å; F148-T151 PolarHBondContact O-OG1 3.2Å; F148-L153 HydrophobicContact CB-CB 4.46Å; F148-L153 HydrophobicContact CB-CD2 4.17Å; F148-L153 HydrophobicContact CD1-CD2 4.21Å; F148-L153 HydrophobicContact CD2-CB 3.63Å; F148-L153 HydrophobicContact CD2-CD2 3.91Å; F148-L153 HydrophobicContact CD2-CG 3.65Å; F148-L153 HydrophobicContact CE2-CB 4.18Å; F148-L153 HydrophobicContact CE2-CD2 4.33Å; F148-L153 HydrophobicContact CE2-CG 3.84Å; F148-L153 HydrophobicContact CG-CB 4.24Å; F148-L153 HydrophobicContact CG-CD2 3.84Å; F148-L153 HydrophobicContact CG-CG 4.13Å; F148-L153 HydrophobicContact CZ-CG 4.46Å; F148-V157 HydrophobicContact CE2-CB 3.82Å; F148-V157 HydrophobicContact CE2-CG2 3.76Å; F148-V157 HydrophobicContact CZ-CB 3.67Å; F148-V157 HydrophobicContact CZ-CG1 3.96Å; F148-V157 HydrophobicContact CZ-CG2 3.56Å; F148-K198 HydrophobicContact CD1-CB 4.42Å; F148-K198 VanDerWaalsContact CD1-O 3.24Å; F148-K198 WeakPolarHBondContact CD1-O 3.25Å; F148-K198 HydrophobicContact CD2-CB 4.42Å; F148-K198 HydrophobicContact CE1-CB 3.98Å; F148-K198 HydrophobicContact CE2-CB 3.99Å; F148-K198 HydrophobicContact CE2-CD 4.18Å; F148-K198 HydrophobicContact CZ-CB 3.75Å; F148-K198 HydrophobicContact CZ-CD 4.47Å; F148-K198 HydrophobicContact CZ-CG 4.47Å; F148-K198 PolarHBondContact N-O 2.88Å; F148-Y199 VanDerWaalsContact CE1-C 3.45Å; F148-C200 HydrophobicContact CD1-CB 3.67Å; F148-C200 HydrophobicContact CE1-CB 3.95Å; F148-F295 AromaticContact CE1-CD1 3.81Å; F148-F295 HydrophobicContact CE1-CD1 3.81Å; F148-F295 HydrophobicContact CE1-CE1 4.37Å; F148-F295 AromaticContact CZ-CD1 3.96Å; F148-F295 HydrophobicContact CZ-CD1 3.96Å | ||
| 149 | S | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 146.4 | 170.4 | -53.3 | 0 | 0 | 0 | 0 | 110.5 | E147 T151 K195 | E147-S149 WeakPolarHBondContact OE1-CB 3.49Å; E147-S149 PolarHBondContact OE1-OG 2.75Å; E147-S149 WeakPolarHBondContact OE2-CB 3.49Å; E147-S149 PolarHBondContact OE2-N 2.81Å; E147-S149 PolarHBondContact OE2-OG 2.55Å; S149-T151 VanDerWaalsContact C-N 3.29Å; S149-K195 WeakPolarHBondContact O-CE 3.28Å; S149-K195 PolarHBondContact O-NZ 3.29Å |
| 150 | H | 94.5 | Very high | 96 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 26% | 0.264 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 31.8 | -167.5 | -36 | 79 | 0 | 0 | 0 | 113.2 | E154 Q181 S184 Y193 K195 | H150-E154 PolarHBondContact N-OE2 3.31Å; H150-Q181 PolarHBondContact CD2-O 2.95Å; H150-Q181 WeakPolarHBondContact CE1-CG 3.44Å; H150-Q181 WeakPolarHBondContact NE2-CB 3.46Å; H150-Q181 WeakPolarHBondContact NE2-CG 3.44Å; H150-S184 WeakPolarHBondContact O-CB 3.31Å; H150-Y193 AromaticContact CE1-CE1 3.64Å; H150-Y193 AromaticContact CE1-CZ 3.95Å; H150-Y193 PolarHBondContact CE1-OH 2.9Å; H150-K195 WeakPolarHBondContact ND1-CE 3.43Å |
| 151 | T | 95.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -127.5 | 168.7 | 166.4 | 78.9 | 0 | 0 | 0 | 0 | 110.3 | V102 F148 S149 L153 E154 | V102-T151 HydrophobicContact CB-CG2 4.21Å; V102-T151 HydrophobicContact CG1-CG2 4.15Å; F148-T151 WeakPolarHBondContact O-CB 3.32Å; F148-T151 WeakPolarHBondContact O-CG2 3.39Å; F148-T151 PolarHBondContact O-N 3.48Å; F148-T151 PolarHBondContact O-OG1 3.2Å; S149-T151 VanDerWaalsContact C-N 3.29Å; T151-L153 PolarHBondContact O-N 3.07Å; T151-L153 VanDerWaalsContact O-N 3.09Å; T151-L153 PolarHBondContact OG1-N 2.87Å; T151-E154 VanDerWaalsContact O-CB 3.3Å; T151-E154 WeakPolarHBondContact O-CB 3.43Å; T151-E154 PolarHBondContact O-N 3.38Å; T151-E154 VanDerWaalsContact O-N 3.08Å |
| 152 | R | 93.4 | Very high | 96.1 | Very high | 162 Ų | 162 | 33.8 Ų | 33.8 | 61% | 0.611 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -60.4 | -22.9 | 178.5 | -62.1 | -170.8 | -64.9 | 154.8 | 0.7 | 113.5 | M100 C101 E154 | M100-R152 PolarHBondContact O-NH2 3.02Å; C101-R152 HydrophobicContact CB-CB 4.37Å; R152-E154 VanDerWaalsContact C-N 3.29Å; R152-E154 PolarHBondContact O-N 3.2Å |
| 153 | L | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -70.9 | -24.8 | 179.3 | -165.6 | 56.7 | 0 | 0 | 0 | 112.4 | P89 F93 V98 C101 V102 F148 T151 N155 M156 V157 F295 | P89-L153 HydrophobicContact CG-CD1 4.3Å; F93-L153 HydrophobicContact CE1-CD1 3.77Å; F93-L153 HydrophobicContact CE2-CD1 4.49Å; F93-L153 HydrophobicContact CZ-CD1 3.55Å; V98-L153 HydrophobicContact CG1-CD2 4.26Å; C101-L153 HydrophobicContact CB-CB 3.85Å; C101-L153 HydrophobicContact CB-CD1 4.48Å; V102-L153 HydrophobicContact CG1-CD2 4.34Å; F148-L153 HydrophobicContact CB-CB 4.46Å; F148-L153 HydrophobicContact CB-CD2 4.17Å; F148-L153 HydrophobicContact CD1-CD2 4.21Å; F148-L153 HydrophobicContact CD2-CB 3.63Å; F148-L153 HydrophobicContact CD2-CD2 3.91Å; F148-L153 HydrophobicContact CD2-CG 3.65Å; F148-L153 HydrophobicContact CE2-CB 4.18Å; F148-L153 HydrophobicContact CE2-CD2 4.33Å; F148-L153 HydrophobicContact CE2-CG 3.84Å; F148-L153 HydrophobicContact CG-CB 4.24Å; F148-L153 HydrophobicContact CG-CD2 3.84Å; F148-L153 HydrophobicContact CG-CG 4.13Å; F148-L153 HydrophobicContact CZ-CG 4.46Å; T151-L153 PolarHBondContact O-N 3.07Å; T151-L153 VanDerWaalsContact O-N 3.09Å; T151-L153 PolarHBondContact OG1-N 2.87Å; L153-N155 VanDerWaalsContact C-N 3.3Å; L153-N155 PolarHBondContact O-N 3.41Å; L153-M156 HydrophobicContact CD1-CB 4.33Å; L153-M156 HydrophobicContact CD1-SD 3.96Å; L153-M156 WeakPolarHBondContact O-CB 3.44Å; L153-M156 PolarHBondContact O-N 3.28Å; L153-V157 HydrophobicContact CG-CG2 4.5Å; L153-V157 PolarHBondContact O-N 3.41Å; L153-F295 HydrophobicContact CD2-CE1 4.07Å |
| 154 | E | 94.1 | Very high | 96 | Very high | 43 Ų | 43 | 35.8 Ų | 35.8 | 20% | 0.201 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -58.9 | -39.4 | -177.6 | -175 | 179.4 | 176.8 | 0 | 0 | 113.3 | H150 T151 R152 M156 K198 | H150-E154 PolarHBondContact N-OE2 3.31Å; T151-E154 VanDerWaalsContact O-CB 3.3Å; T151-E154 WeakPolarHBondContact O-CB 3.43Å; T151-E154 PolarHBondContact O-N 3.38Å; T151-E154 VanDerWaalsContact O-N 3.08Å; R152-E154 VanDerWaalsContact C-N 3.29Å; R152-E154 PolarHBondContact O-N 3.2Å; E154-M156 VanDerWaalsContact C-N 3.25Å; E154-M156 PolarHBondContact O-N 3.46Å; E154-K198 HydrophobicContact CG-CD 3.93Å; E154-K198 VanDerWaalsContact CG-NZ 3.27Å; E154-K198 PolarHBondContact O-NZ 3.11Å; E154-K198 IonicContact OE1-NZ 3.22Å |
| 155 | N | 92.3 | Very high | 96 | Very high | 116 Ų | 116 | 37.4 Ų | 37.4 | 62% | 0.62 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -81 | -6.6 | -180 | -68.7 | -51.8 | 0 | 0 | 0 | 113.1 | K87 L153 | K87-N155 PolarHBondContact NZ-O 3.01Å; L153-N155 VanDerWaalsContact C-N 3.3Å; L153-N155 PolarHBondContact O-N 3.41Å |
| 156 | M | 96.4 | Very high | 96.1 | Very high | 58 Ų | 58 | 35.7 Ų | 35.7 | 29% | 0.286 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -30 | 174.1 | -55.6 | 177.2 | 67.5 | 0 | 0 | 111.1 | M88 P89 F93 L153 E154 | M88-M156 CarbonylContact C-O 3.48Å; P89-M156 HydrophobicContact CB-CE 4.02Å; P89-M156 HydrophobicContact CG-CB 4.34Å; P89-M156 HydrophobicContact CG-CE 4.49Å; F93-M156 HydrophobicContact CD2-CE 4.07Å; F93-M156 HydrophobicContact CE2-CE 3.69Å; F93-M156 HydrophobicContact CE2-SD 4.38Å; F93-M156 HydrophobicContact CZ-CE 4.39Å; L153-M156 HydrophobicContact CD1-CB 4.33Å; L153-M156 HydrophobicContact CD1-SD 3.96Å; L153-M156 WeakPolarHBondContact O-CB 3.44Å; L153-M156 PolarHBondContact O-N 3.28Å; E154-M156 VanDerWaalsContact C-N 3.25Å; E154-M156 PolarHBondContact O-N 3.46Å |
| 157 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -109 | 124.6 | -177.7 | -173.1 | 0 | 0 | 0 | 0 | 112.2 | K87 M88 P89 F148 L153 K198 W221 F295 | K87-V157 CarbonylContact O-C 3.52Å; K87-V157 VanDerWaalsContact O-CA 3.32Å; K87-V157 WeakPolarHBondContact O-CA 3.14Å; M88-V157 HydrophobicContact CE-CG1 4.08Å; M88-V157 HydrophobicContact SD-CG1 4.1Å; P89-V157 HydrophobicContact CG-CG2 4.2Å; F148-V157 HydrophobicContact CE2-CB 3.82Å; F148-V157 HydrophobicContact CE2-CG2 3.76Å; F148-V157 HydrophobicContact CZ-CB 3.67Å; F148-V157 HydrophobicContact CZ-CG1 3.96Å; F148-V157 HydrophobicContact CZ-CG2 3.56Å; L153-V157 HydrophobicContact CG-CG2 4.5Å; L153-V157 PolarHBondContact O-N 3.41Å; V157-K198 WeakPolarHBondContact O-CE 3.32Å; V157-K198 PolarHBondContact O-NZ 3.26Å; V157-W221 HydrophobicContact CG1-CH2 3.96Å; V157-F295 HydrophobicContact CG1-CB 3.95Å; V157-F295 HydrophobicContact CG1-CG 4.34Å; V157-F295 HydrophobicContact CG2-CB 4.46Å; V157-F295 HydrophobicContact CG2-CD1 3.87Å; V157-F295 HydrophobicContact CG2-CD2 4.36Å; V157-F295 HydrophobicContact CG2-CE1 4.23Å; V157-F295 HydrophobicContact CG2-CG 3.94Å | ||
| 158 | Q | 96.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 35.6 Ų | 35.6 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | B | Isolated β-bridge | trans | -124.9 | 135.5 | 168.6 | -59.8 | 175.9 | -60.1 | 0 | 0 | 109.5 | I86 K87 | I86-Q158 WeakPolarHBondContact CA-O 3.47Å; I86-Q158 WeakPolarHBondContact CB-O 3.38Å; K87-Q158 HydrophobicContact CB-CB 3.78Å; K87-Q158 HydrophobicContact CB-CG 4.01Å; K87-Q158 HydrophobicContact CD-CG 4.32Å; K87-Q158 PolarHBondContact N-O 2.83Å; K87-Q158 PolarHBondContact O-N 3.07Å |
| 159 | R | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | trans | -79.4 | 171.7 | 177.5 | 67.2 | -176.2 | 174.4 | 177.8 | -2.9 | 111 | S161 V163 D164 D167 D170 W221 | R159-S161 PolarHBondContact O-N 2.67Å; R159-V163 HydrophobicContact CG-CB 4.28Å; R159-D164 VanDerWaalsContact CG-OD1 3.3Å; R159-D164 WeakPolarHBondContact CG-OD1 3.39Å; R159-D164 IonicContact CZ-OD1 2.76Å; R159-D164 IonicContact NE-OD1 2.75Å; R159-D164 PolarHBondContact NE-OD1 3.36Å; R159-D164 IonicContact NH2-OD1 3.97Å; R159-D167 IonicContact CZ-OD2 2.74Å; R159-D167 IonicContact NH1-OD2 3.97Å; R159-D167 PolarHBondContact NH1-OD2 2.96Å; R159-D167 IonicContact NH2-OD2 3.87Å; R159-D167 PolarHBondContact NH2-OD2 3.24Å; R159-D170 IonicContact CZ-OD2 3.19Å; R159-D170 VanDerWaalsContact NH2-CG 3.34Å; R159-D170 IonicContact NH2-OD1 3.28Å; R159-D170 IonicContact NH2-OD2 2.83Å; R159-D170 PolarHBondContact NH2-OD2 3.33Å; R159-W221 HydrophobicContact CB-CD2 3.8Å; R159-W221 HydrophobicContact CB-CE3 4.34Å; R159-W221 HydrophobicContact CB-CG 4.35Å; R159-W221 HydrophobicContact CB-CH2 4.08Å; R159-W221 HydrophobicContact CB-CZ2 3.49Å; R159-W221 VanDerWaalsContact CB-CZ2 3.49Å; R159-W221 HydrophobicContact CB-CZ3 4.46Å | ||
| 160 | P | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -60.2 | 138.1 | 179 | -22.5 | 32.7 | 0 | 0 | 0 | 111.1 | F62 L84 I86 T162 V163 D164 | F62-P160 HydrophobicContact CE1-CB 4.25Å; L84-P160 HydrophobicContact CB-CB 4.27Å; L84-P160 HydrophobicContact CD2-CB 4.28Å; L84-P160 CarbonylContact O-C 3.13Å; L84-P160 VanDerWaalsContact O-CA 3.24Å; L84-P160 WeakPolarHBondContact O-CA 3.45Å; I86-P160 HydrophobicContact CG2-CB 4.19Å; I86-P160 HydrophobicContact CG2-CG 3.66Å; P160-T162 PolarHBondContact O-N 3.1Å; P160-T162 VanDerWaalsContact O-N 3.13Å; P160-V163 HydrophobicContact CB-CG2 4.18Å; P160-V163 HydrophobicContact CG-CG2 4.31Å; P160-V163 WeakPolarHBondContact O-CA 3.34Å; P160-V163 WeakPolarHBondContact O-CB 3.23Å; P160-V163 PolarHBondContact O-N 3.22Å; P160-D164 PolarHBondContact O-N 2.87Å | ||
| 161 | S | 96.4 | Very high | 96.2 | Very high | 54 Ų | 54 | 35.6 Ų | 35.6 | 38% | 0.378 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.7 | -30.6 | -174.3 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | L84 R159 V163 D164 F165 | L84-S161 PolarHBondContact O-N 2.76Å; R159-S161 PolarHBondContact O-N 2.67Å; S161-V163 PolarHBondContact O-N 3.16Å; S161-D164 WeakPolarHBondContact O-CB 3.12Å; S161-D164 PolarHBondContact O-N 3.43Å; S161-F165 VanDerWaalsContact O-CD2 3.3Å; S161-F165 WeakPolarHBondContact O-CD2 3.39Å; S161-F165 PolarHBondContact O-N 2.86Å |
| 162 | T | 97 | Very high | 96.2 | Very high | 15 Ų | 15 | 35 Ų | 35 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -24.3 | 175 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | F62 V64 I67 P160 I166 | F62-T162 HydrophobicContact CD1-CG2 4.16Å; F62-T162 HydrophobicContact CE1-CG2 3.97Å; F62-T162 HydrophobicContact CZ-CG2 4.23Å; F62-T162 WeakPolarHBondContact O-CB 3.39Å; F62-T162 PolarHBondContact O-OG1 2.94Å; V64-T162 HydrophobicContact CG2-CG2 4.43Å; I67-T162 HydrophobicContact CD1-CG2 4.38Å; I67-T162 HydrophobicContact CG1-CG2 3.91Å; P160-T162 PolarHBondContact O-N 3.1Å; P160-T162 VanDerWaalsContact O-N 3.13Å; T162-I166 WeakPolarHBondContact O-CG1 3.39Å; T162-I166 PolarHBondContact O-N 3.15Å |
| 163 | V | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -77 | -38 | 172 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | F62 R159 P160 S161 F165 I166 D167 F299 | F62-V163 HydrophobicContact CE1-CG2 4.35Å; R159-V163 HydrophobicContact CG-CB 4.28Å; P160-V163 HydrophobicContact CB-CG2 4.18Å; P160-V163 HydrophobicContact CG-CG2 4.31Å; P160-V163 WeakPolarHBondContact O-CA 3.34Å; P160-V163 WeakPolarHBondContact O-CB 3.23Å; P160-V163 PolarHBondContact O-N 3.22Å; S161-V163 PolarHBondContact O-N 3.16Å; V163-F165 PolarHBondContact O-N 2.89Å; V163-I166 PolarHBondContact O-N 2.91Å; V163-D167 VanDerWaalsContact O-CB 3.31Å; V163-D167 WeakPolarHBondContact O-CB 2.96Å; V163-D167 PolarHBondContact O-N 2.87Å; V163-F299 HydrophobicContact CG1-CB 4.19Å; V163-F299 HydrophobicContact CG1-CD1 3.56Å; V163-F299 HydrophobicContact CG1-CD2 3.97Å; V163-F299 HydrophobicContact CG1-CE1 3.81Å; V163-F299 HydrophobicContact CG1-CE2 4.19Å; V163-F299 HydrophobicContact CG1-CG 3.65Å; V163-F299 HydrophobicContact CG1-CZ 4.11Å; V163-F299 HydrophobicContact CG2-CE1 4.14Å; V163-F299 HydrophobicContact CG2-CZ 4.12Å |
| 164 | D | 95.1 | Very high | 96.3 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 23% | 0.23 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.5 | -33.3 | 171.4 | -83.1 | 16 | 0 | 0 | 0 | 111 | R159 P160 S161 N171 K521 | R159-D164 VanDerWaalsContact CG-OD1 3.3Å; R159-D164 WeakPolarHBondContact CG-OD1 3.39Å; R159-D164 IonicContact CZ-OD1 2.76Å; R159-D164 IonicContact NE-OD1 2.75Å; R159-D164 PolarHBondContact NE-OD1 3.36Å; R159-D164 IonicContact NH2-OD1 3.97Å; P160-D164 PolarHBondContact O-N 2.87Å; S161-D164 WeakPolarHBondContact O-CB 3.12Å; S161-D164 PolarHBondContact O-N 3.43Å; D164-N171 PolarHBondContact O-ND2 2.84Å; D164-K521 IonicContact OD2-NZ 3.36Å; D164-K521 PolarHBondContact OD2-NZ 3.09Å |
| 165 | F | 95.6 | Very high | 96.2 | Very high | 86 Ų | 86 | 27.4 Ų | 27.4 | 38% | 0.377 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -76.7 | -26.9 | 178.5 | -72.5 | -53.3 | 0 | 0 | 0 | 115.7 | V64 S161 V163 N171 P512 | V64-F165 HydrophobicContact CG2-CB 3.81Å; V64-F165 HydrophobicContact CG2-CD2 3.91Å; V64-F165 HydrophobicContact CG2-CG 4.09Å; S161-F165 VanDerWaalsContact O-CD2 3.3Å; S161-F165 WeakPolarHBondContact O-CD2 3.39Å; S161-F165 PolarHBondContact O-N 2.86Å; V163-F165 PolarHBondContact O-N 2.89Å; F165-N171 PolarHBondContact O-ND2 3.11Å; F165-P512 HydrophobicContact CB-CG 4.43Å; F165-P512 WeakPolarHBondContact O-CG 3.36Å |
| 166 | I | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -114.6 | -12.8 | -172.2 | 70.7 | -178.3 | 0 | 0 | 0 | 114.6 | I67 L72 T162 V163 W168 F299 H301 F303 | I67-I166 HydrophobicContact CD1-CD1 4.04Å; I67-I166 HydrophobicContact CG1-CD1 4.12Å; I67-I166 HydrophobicContact CG2-CD1 4.12Å; I67-I166 HydrophobicContact CG2-CG2 4.5Å; L72-I166 HydrophobicContact CD2-CD1 4.48Å; T162-I166 WeakPolarHBondContact O-CG1 3.39Å; T162-I166 PolarHBondContact O-N 3.15Å; V163-I166 PolarHBondContact O-N 2.91Å; I166-W168 PolarHBondContact O-N 2.94Å; I166-F299 HydrophobicContact CD1-CE2 3.91Å; I166-F299 HydrophobicContact CG1-CD2 4.39Å; I166-F299 HydrophobicContact CG1-CE2 4.17Å; I166-H301 HydrophobicContact CB-CB 4.17Å; I166-H301 HydrophobicContact CD1-CB 4.19Å; I166-H301 HydrophobicContact CG1-CB 4.08Å; I166-F303 HydrophobicContact CG2-CE2 4.19Å |
| 167 | D | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -66.7 | 123.4 | 178.6 | 177.8 | 18.7 | 0 | 0 | 0 | 111.8 | R159 V163 V169 D170 N171 Q197 F299 L300 | R159-D167 IonicContact CZ-OD2 2.74Å; R159-D167 IonicContact NH1-OD2 3.97Å; R159-D167 PolarHBondContact NH1-OD2 2.96Å; R159-D167 IonicContact NH2-OD2 3.87Å; R159-D167 PolarHBondContact NH2-OD2 3.24Å; V163-D167 VanDerWaalsContact O-CB 3.31Å; V163-D167 WeakPolarHBondContact O-CB 2.96Å; V163-D167 PolarHBondContact O-N 2.87Å; D167-V169 PolarHBondContact O-N 2.92Å; D167-V169 PolarHBondContact OD1-N 2.79Å; D167-D170 PolarHBondContact O-N 2.8Å; D167-N171 PolarHBondContact O-N 2.98Å; D167-N171 VanDerWaalsContact O-N 3.12Å; D167-N171 PolarHBondContact O-ND2 2.86Å; D167-Q197 PolarHBondContact OD2-NE2 2.82Å; D167-F299 HydrophobicContact CB-CB 3.94Å; D167-L300 WeakPolarHBondContact CA-O 3.28Å | ||
| 168 | W | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.3 | -32.7 | 174.8 | -74.6 | 1.9 | 0 | 0 | 0 | 113.7 | I166 D170 M172 W173 L300 H301 S302 I305 M332 V336 | I166-W168 PolarHBondContact O-N 2.94Å; W168-D170 VanDerWaalsContact C-N 3.3Å; W168-D170 PolarHBondContact O-N 2.96Å; W168-M172 HydrophobicContact CB-CB 4.4Å; W168-M172 HydrophobicContact CB-CG 3.91Å; W168-M172 HydrophobicContact CG-CG 3.92Å; W168-M172 WeakPolarHBondContact O-CA 3.47Å; W168-M172 WeakPolarHBondContact O-CB 2.87Å; W168-M172 PolarHBondContact O-N 2.97Å; W168-W173 PolarHBondContact O-N 2.84Å; W168-L300 HydrophobicContact CB-CB 4.19Å; W168-L300 HydrophobicContact CD2-CB 3.64Å; W168-L300 HydrophobicContact CE3-CB 3.42Å; W168-L300 VanDerWaalsContact CE3-CB 3.42Å; W168-L300 HydrophobicContact CE3-CD1 3.63Å; W168-L300 HydrophobicContact CE3-CG 4.15Å; W168-L300 HydrophobicContact CG-CB 3.97Å; W168-L300 HydrophobicContact CZ3-CB 4.13Å; W168-L300 HydrophobicContact CZ3-CD1 3.94Å; W168-L300 PolarHBondContact N-O 2.85Å; W168-H301 VanDerWaalsContact NE1-C 3.33Å; W168-S302 PolarHBondContact NE1-OG 2.64Å; W168-S302 VanDerWaalsContact NE1-OG 3.15Å; W168-I305 HydrophobicContact CH2-CD1 4.26Å; W168-I305 HydrophobicContact CH2-CG1 4.15Å; W168-I305 HydrophobicContact CH2-CG2 4.03Å; W168-I305 HydrophobicContact CZ2-CD1 3.68Å; W168-I305 HydrophobicContact CZ2-CG1 3.71Å; W168-I305 HydrophobicContact CZ2-CG2 4.44Å; W168-M332 HydrophobicContact CB-CE 4.36Å; W168-M332 HydrophobicContact CB-CG 4.17Å; W168-M332 HydrophobicContact CB-SD 3.83Å; W168-M332 HydrophobicContact CD2-CG 4.38Å; W168-M332 HydrophobicContact CE3-CG 3.64Å; W168-M332 HydrophobicContact CZ3-CG 4.37Å; W168-V336 HydrophobicContact CD2-CG2 3.51Å; W168-V336 VanDerWaalsContact CE2-CG2 3.49Å; W168-V336 HydrophobicContact CE3-CG2 3.77Å; W168-V336 HydrophobicContact CG-CG2 3.99Å; W168-V336 HydrophobicContact CH2-CG2 3.97Å; W168-V336 HydrophobicContact CZ2-CB 4.43Å; W168-V336 HydrophobicContact CZ2-CG1 4Å; W168-V336 HydrophobicContact CZ2-CG2 3.72Å; W168-V336 HydrophobicContact CZ3-CG2 4Å |
| 169 | V | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.1 | -30.5 | -179.7 | 178.9 | 0 | 0 | 0 | 0 | 112.9 | D167 Y193 P194 Q197 Y326 M332 | D167-V169 PolarHBondContact O-N 2.92Å; D167-V169 PolarHBondContact OD1-N 2.79Å; V169-Y193 HydrophobicContact CG1-CD2 3.38Å; V169-Y193 HydrophobicContact CG1-CE2 3.57Å; V169-P194 HydrophobicContact CG2-CB 4.12Å; V169-Q197 HydrophobicContact CB-CG 4.16Å; V169-Q197 VanDerWaalsContact CG1-CD 3.44Å; V169-Q197 HydrophobicContact CG1-CG 3.96Å; V169-Q197 HydrophobicContact CG2-CG 4.45Å; V169-Y326 VanDerWaalsContact CG2-OH 3.29Å; V169-Y326 WeakPolarHBondContact CG2-OH 3.22Å; V169-M332 HydrophobicContact CG2-CE 3.94Å |
| 170 | D | 94.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 29 Ų | 29 | 22% | 0.219 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -91.1 | -34.8 | 178.3 | -74.4 | -3.5 | 0 | 0 | 0 | 112.3 | R159 D167 W168 K178 Q197 W516 | R159-D170 IonicContact CZ-OD2 3.19Å; R159-D170 VanDerWaalsContact NH2-CG 3.34Å; R159-D170 IonicContact NH2-OD1 3.28Å; R159-D170 IonicContact NH2-OD2 2.83Å; R159-D170 PolarHBondContact NH2-OD2 3.33Å; D167-D170 PolarHBondContact O-N 2.8Å; W168-D170 VanDerWaalsContact C-N 3.3Å; W168-D170 PolarHBondContact O-N 2.96Å; D170-K178 IonicContact OD1-NZ 2.66Å; D170-K178 PolarHBondContact OD1-NZ 3.28Å; D170-Q197 PolarHBondContact OD1-NE2 3.08Å; D170-W516 PolarHBondContact O-NE1 3.41Å |
| 171 | N | 95.9 | Very high | 94.8 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -102 | -18.5 | -168.8 | -61.8 | -79.5 | 0 | 0 | 0 | 114.3 | D164 F165 D167 R339 V514 W516 | D164-N171 PolarHBondContact O-ND2 2.84Å; F165-N171 PolarHBondContact O-ND2 3.11Å; D167-N171 PolarHBondContact O-N 2.98Å; D167-N171 VanDerWaalsContact O-N 3.12Å; D167-N171 PolarHBondContact O-ND2 2.86Å; N171-R339 PolarHBondContact O-NE 3.25Å; N171-V514 WeakPolarHBondContact O-CG1 3.43Å; N171-W516 PolarHBondContact O-NE1 3.13Å |
| 172 | M | 96.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -43.7 | -175 | -46.6 | -74.7 | 171.5 | 0 | 0 | 112.9 | W168 M332 V336 R339 Y340 V514 | W168-M172 HydrophobicContact CB-CB 4.4Å; W168-M172 HydrophobicContact CB-CG 3.91Å; W168-M172 HydrophobicContact CG-CG 3.92Å; W168-M172 WeakPolarHBondContact O-CA 3.47Å; W168-M172 WeakPolarHBondContact O-CB 2.87Å; W168-M172 PolarHBondContact O-N 2.97Å; M172-M332 HydrophobicContact CB-SD 3.94Å; M172-V336 HydrophobicContact CB-CG2 4.1Å; M172-V336 HydrophobicContact CG-CG2 3.75Å; M172-V336 HydrophobicContact SD-CB 4.29Å; M172-V336 HydrophobicContact SD-CG1 4.34Å; M172-V336 HydrophobicContact SD-CG2 4.03Å; M172-R339 HydrophobicContact SD-CB 3.92Å; M172-R339 HydrophobicContact SD-CG 4.47Å; M172-Y340 HydrophobicContact CE-CE2 3.92Å; M172-V514 HydrophobicContact CE-CB 3.88Å; M172-V514 HydrophobicContact CE-CG1 3.93Å; M172-V514 HydrophobicContact CE-CG2 4.05Å; M172-V514 HydrophobicContact SD-CB 4.3Å; M172-V514 HydrophobicContact SD-CG1 3.76Å; M172-V514 HydrophobicContact SD-CG2 4.33Å |
| 173 | W | 96.5 | Very high | 94 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -67.3 | 142.9 | -177.3 | -161.9 | -98.1 | 0 | 0 | 0 | 112.4 | W168 R175 L177 Q192 Y193 P194 F328 E331 M332 Y335 | W168-W173 PolarHBondContact O-N 2.84Å; W173-R175 PolarHBondContact O-N 2.83Å; W173-R175 VanDerWaalsContact O-N 3.16Å; W173-L177 HydrophobicContact CZ2-CD1 4.33Å; W173-Q192 WeakPolarHBondContact CZ2-O 3.42Å; W173-Q192 PolarHBondContact NE1-O 2.83Å; W173-Y193 VanDerWaalsContact NE1-CB 3.34Å; W173-P194 HydrophobicContact CE3-CG 4.43Å; W173-P194 HydrophobicContact CZ3-CG 4.42Å; W173-F328 HydrophobicContact CH2-CB 3.7Å; W173-F328 HydrophobicContact CH2-CD2 4.3Å; W173-F328 HydrophobicContact CH2-CG 4.07Å; W173-F328 HydrophobicContact CZ3-CB 4.02Å; W173-E331 HydrophobicContact CH2-CB 4.29Å; W173-E331 HydrophobicContact CZ3-CB 4.17Å; W173-M332 HydrophobicContact CB-CE 4.04Å; W173-M332 HydrophobicContact CD2-CE 4.26Å; W173-M332 HydrophobicContact CE3-CE 3.61Å; W173-M332 HydrophobicContact CE3-SD 4.04Å; W173-M332 HydrophobicContact CG-CE 4.48Å; W173-M332 HydrophobicContact CZ3-CB 4.43Å; W173-M332 HydrophobicContact CZ3-CE 4.42Å; W173-Y335 HydrophobicContact CD2-CD2 4.32Å; W173-Y335 HydrophobicContact CD2-CE2 4.32Å; W173-Y335 AromaticContact CE3-CD2 3.65Å; W173-Y335 HydrophobicContact CE3-CD2 3.65Å; W173-Y335 AromaticContact CE3-CE2 3.91Å; W173-Y335 HydrophobicContact CE3-CE2 3.91Å; W173-Y335 HydrophobicContact CH2-CE2 4.15Å; W173-Y335 AromaticContact CZ3-CD2 3.8Å; W173-Y335 HydrophobicContact CZ3-CD2 3.8Å; W173-Y335 AromaticContact CZ3-CE2 3.83Å; W173-Y335 HydrophobicContact CZ3-CE2 3.83Å |
| 174 | P | 94.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 5% | 0.045 | 19% | 0.192 | C | C | . | . | trans | -57.7 | 119 | 175.9 | -27.9 | 36.5 | 0 | 0 | 0 | 112.7 | H176 L177 K178 Y335 F354 | P174-H176 VanDerWaalsContact C-N 3.33Å; P174-H176 PolarHBondContact O-N 3.25Å; P174-L177 HydrophobicContact CB-CD1 4.12Å; P174-L177 HydrophobicContact CB-CG 4.19Å; P174-L177 HydrophobicContact CG-CD1 4.25Å; P174-L177 WeakPolarHBondContact O-CB 3.46Å; P174-L177 PolarHBondContact O-N 2.94Å; P174-L177 VanDerWaalsContact O-N 3.1Å; P174-K178 PolarHBondContact O-N 2.9Å; P174-Y335 HydrophobicContact CG-CD1 4.02Å; P174-Y335 HydrophobicContact CG-CD2 4.44Å; P174-Y335 HydrophobicContact CG-CE1 3.5Å; P174-Y335 HydrophobicContact CG-CE2 3.96Å; P174-Y335 HydrophobicContact CG-CG 4.47Å; P174-Y335 VanDerWaalsContact CG-CZ 3.45Å; P174-F354 HydrophobicContact CB-CD1 4.06Å; P174-F354 HydrophobicContact CB-CE1 4.06Å; P174-F354 HydrophobicContact CG-CD1 3.91Å; P174-F354 HydrophobicContact CG-CE1 3.87Å | ||
| 175 | R | 92.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -40.4 | -171.7 | -67 | 174.2 | -77 | 164.2 | -0.6 | 113.2 | W173 L177 K178 E179 S358 M361 D362 W516 | W173-R175 PolarHBondContact O-N 2.83Å; W173-R175 VanDerWaalsContact O-N 3.16Å; R175-L177 VanDerWaalsContact C-N 3.33Å; R175-L177 PolarHBondContact O-N 2.8Å; R175-K178 WeakPolarHBondContact O-CB 3.35Å; R175-K178 PolarHBondContact O-N 3.44Å; R175-K178 VanDerWaalsContact O-N 3.16Å; R175-E179 PolarHBondContact O-N 3.03Å; R175-S358 PolarHBondContact NH2-OG 3.5Å; R175-M361 HydrophobicContact CB-CE 3.6Å; R175-M361 HydrophobicContact CB-SD 3.67Å; R175-D362 IonicContact CZ-OD1 3.83Å; R175-D362 IonicContact CZ-OD2 2.92Å; R175-D362 IonicContact NH1-OD1 2.68Å; R175-D362 PolarHBondContact NH1-OD1 2.89Å; R175-D362 IonicContact NH2-OD1 2.67Å; R175-D362 PolarHBondContact NH2-OD1 3.39Å; R175-D362 IonicContact NH2-OD2 2.63Å; R175-D362 PolarHBondContact NH2-OD2 3.2Å; R175-W516 HydrophobicContact CG-CD2 4.31Å; R175-W516 HydrophobicContact CG-CG 4.4Å; R175-W516 HydrophobicContact CG-CZ2 4.41Å; R175-W516 VanDerWaalsContact NE-CD2 3.33Å |
| 176 | H | 89.7 | Confident | 93.1 | Very high | 42 Ų | 42 | 35.3 Ų | 35.3 | 19% | 0.194 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 179.1 | 69.7 | -97.9 | 0 | 0 | 0 | 112.6 | P174 E179 S180 F354 E357 M361 | P174-H176 VanDerWaalsContact C-N 3.33Å; P174-H176 PolarHBondContact O-N 3.25Å; H176-E179 PolarHBondContact O-N 3.44Å; H176-S180 WeakPolarHBondContact O-CB 3.47Å; H176-S180 PolarHBondContact O-N 3.09Å; H176-F354 AromaticContact CE1-CD1 3.67Å; H176-F354 AromaticContact CE1-CE1 3.76Å; H176-F354 AromaticContact CE1-CG 3.96Å; H176-F354 AromaticContact NE2-CE1 3.9Å; H176-F354 AromaticContact NE2-CZ 3.91Å; H176-E357 HydrophobicContact CB-CB 4.4Å; H176-E357 WeakPolarHBondContact ND1-CB 3.49Å; H176-M361 HydrophobicContact CB-SD 3.74Å; H176-M361 PolarHBondContact N-SD 2.99Å |
| 177 | L | 92.2 | Very high | 92.6 | Very high | 34 Ų | 34 | 37 Ų | 37 | 18% | 0.178 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 175.1 | -64.1 | -178.7 | 0 | 0 | 0 | 110.6 | W173 P174 R175 S180 Q192 F354 | W173-L177 HydrophobicContact CZ2-CD1 4.33Å; P174-L177 HydrophobicContact CB-CD1 4.12Å; P174-L177 HydrophobicContact CB-CG 4.19Å; P174-L177 HydrophobicContact CG-CD1 4.25Å; P174-L177 WeakPolarHBondContact O-CB 3.46Å; P174-L177 PolarHBondContact O-N 2.94Å; P174-L177 VanDerWaalsContact O-N 3.1Å; R175-L177 VanDerWaalsContact C-N 3.33Å; R175-L177 PolarHBondContact O-N 2.8Å; L177-S180 PolarHBondContact O-N 3.42Å; L177-S180 PolarHBondContact O-OG 2.78Å; L177-Q192 VanDerWaalsContact O-CB 3.3Å; L177-Q192 WeakPolarHBondContact O-CB 3.21Å; L177-F354 HydrophobicContact CD1-CE1 3.98Å; L177-F354 HydrophobicContact CD1-CZ 4.26Å; L177-F354 HydrophobicContact CG-CE1 4.46Å |
| 178 | K | 92.8 | Very high | 91.9 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 19% | 0.191 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 175.1 | -162.9 | -169.3 | -177.4 | -170.7 | 0 | 111.7 | D170 P174 R175 S180 Q181 Y193 | D170-K178 IonicContact OD1-NZ 2.66Å; D170-K178 PolarHBondContact OD1-NZ 3.28Å; P174-K178 PolarHBondContact O-N 2.9Å; R175-K178 WeakPolarHBondContact O-CB 3.35Å; R175-K178 PolarHBondContact O-N 3.44Å; R175-K178 VanDerWaalsContact O-N 3.16Å; K178-S180 VanDerWaalsContact C-N 3.27Å; K178-S180 PolarHBondContact O-N 3.04Å; K178-Q181 VanDerWaalsContact O-CB 3.24Å; K178-Q181 WeakPolarHBondContact O-CB 3.31Å; K178-Q181 PolarHBondContact O-N 3.31Å; K178-Q181 VanDerWaalsContact O-N 3.14Å; K178-Y193 HydrophobicContact CB-CD1 4.22Å; K178-Y193 HydrophobicContact CB-CG 4.38Å; K178-Y193 HydrophobicContact CG-CD1 3.6Å; K178-Y193 HydrophobicContact CG-CD2 4.16Å; K178-Y193 HydrophobicContact CG-CE1 3.68Å; K178-Y193 HydrophobicContact CG-CE2 4.25Å; K178-Y193 HydrophobicContact CG-CG 3.83Å |
| 179 | E | 90.8 | Very high | 91.2 | Very high | 113 Ų | 113 | 48.8 Ų | 48.8 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71 | -20.1 | -178.3 | -69.1 | -177.7 | -163 | 0 | 0 | 113.2 | R175 H176 Q181 M361 R519 | R175-E179 PolarHBondContact O-N 3.03Å; H176-E179 PolarHBondContact O-N 3.44Å; E179-Q181 VanDerWaalsContact C-N 3.26Å; E179-Q181 PolarHBondContact O-N 3.1Å; E179-M361 HydrophobicContact CG-CE 4.27Å; E179-M361 WeakPolarHBondContact OE1-CE 3.44Å; E179-M361 WeakPolarHBondContact OE2-CE 3.49Å; E179-R519 IonicContact OE1-CZ 3.22Å; E179-R519 IonicContact OE1-NH1 2.71Å; E179-R519 PolarHBondContact OE1-NH1 3.3Å; E179-R519 IonicContact OE2-CZ 3.61Å; E179-R519 IonicContact OE2-NH1 3.22Å; E179-R519 PolarHBondContact OE2-NH1 2.71Å |
| 180 | S | 90.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 53 Ų | 53 | 43% | 0.427 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.5 | 170.4 | 78.7 | 0 | 0 | 0 | 0 | 114.8 | H176 L177 K178 T182 | H176-S180 WeakPolarHBondContact O-CB 3.47Å; H176-S180 PolarHBondContact O-N 3.09Å; L177-S180 PolarHBondContact O-N 3.42Å; L177-S180 PolarHBondContact O-OG 2.78Å; K178-S180 VanDerWaalsContact C-N 3.27Å; K178-S180 PolarHBondContact O-N 3.04Å; S180-T182 PolarHBondContact O-N 3.49Å |
| 181 | Q | 92.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | trans | -67.5 | 121.8 | -178.5 | -176.5 | 64.5 | 46.4 | 0 | 0 | 111.2 | H150 K178 E179 E183 E190 Y193 | H150-Q181 PolarHBondContact CD2-O 2.95Å; H150-Q181 WeakPolarHBondContact CE1-CG 3.44Å; H150-Q181 WeakPolarHBondContact NE2-CB 3.46Å; H150-Q181 WeakPolarHBondContact NE2-CG 3.44Å; K178-Q181 VanDerWaalsContact O-CB 3.24Å; K178-Q181 WeakPolarHBondContact O-CB 3.31Å; K178-Q181 PolarHBondContact O-N 3.31Å; K178-Q181 VanDerWaalsContact O-N 3.14Å; E179-Q181 VanDerWaalsContact C-N 3.26Å; E179-Q181 PolarHBondContact O-N 3.1Å; Q181-E183 PolarHBondContact NE2-O 2.76Å; Q181-E190 PolarHBondContact NE2-O 3.07Å; Q181-E190 PolarHBondContact OE1-O 3.25Å; Q181-Y193 HydrophobicContact CB-CD1 3.95Å; Q181-Y193 HydrophobicContact CB-CE1 3.81Å; Q181-Y193 HydrophobicContact CG-CD1 4.18Å; Q181-Y193 HydrophobicContact CG-CE1 3.82Å | ||
| 182 | T | 86.2 | Confident | 90.2 | Very high | 130 Ų | 130 | 54.4 Ų | 54.4 | 80% | 0.798 | 29% | 0.291 | S | S | * | . | trans | -120.4 | -27.5 | 179.5 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | S180 | S180-T182 PolarHBondContact O-N 3.49Š| ||
| 183 | E | 90.5 | Very high | 90.2 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | trans | -74.4 | 130.5 | 175.9 | 179.3 | 49 | -111 | 0 | 0 | 110.5 | Q181 T185 A187 E190 K195 | Q181-E183 PolarHBondContact NE2-O 2.76Å; E183-T185 WeakPolarHBondContact CG-OG1 3.39Å; E183-T185 WeakPolarHBondContact OE1-CB 3.33Å; E183-T185 WeakPolarHBondContact OE1-CG2 3.42Å; E183-T185 PolarHBondContact OE1-N 2.64Å; E183-T185 PolarHBondContact OE1-OG1 3.25Å; E183-A187 HydrophobicContact CG-CB 4.38Å; E183-E190 HydrophobicContact CB-CB 4.03Å; E183-E190 HydrophobicContact CG-CB 4.37Å; E183-K195 VanDerWaalsContact O-CE 3.32Å; E183-K195 WeakPolarHBondContact O-CE 3.46Å | ||
| 184 | S | 86.3 | Confident | 90.2 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | trans | -91.6 | -17.2 | -174.6 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | R106 H150 K195 | R106-S184 PolarHBondContact NH1-O 2.66Å; R106-S184 PolarHBondContact NH2-O 2.97Å; H150-S184 WeakPolarHBondContact O-CB 3.31Å; S184-K195 PolarHBondContact O-NZ 2.71Å | ||
| 185 | T | 90.5 | Very high | 90.3 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -87.3 | 167.8 | 172.8 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | R106 E183 A187 | R106-T185 HydrophobicContact CG-CG2 4.25Å; E183-T185 WeakPolarHBondContact CG-OG1 3.39Å; E183-T185 WeakPolarHBondContact OE1-CB 3.33Å; E183-T185 WeakPolarHBondContact OE1-CG2 3.42Å; E183-T185 PolarHBondContact OE1-N 2.64Å; E183-T185 PolarHBondContact OE1-OG1 3.25Å; T185-A187 PolarHBondContact O-N 2.82Å; T185-A187 VanDerWaalsContact O-N 3.16Å |
| 186 | N | 90.9 | Very high | 90.5 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | trans | -88 | 38 | -179.6 | -58.6 | 71.2 | 0 | 0 | 0 | 111.7 | E147 I188 M191 K195 | E147-N186 WeakPolarHBondContact CB-ND2 3.33Å; E147-N186 WeakPolarHBondContact CB-OD1 3.37Å; N186-I188 PolarHBondContact O-N 2.86Å; N186-I188 VanDerWaalsContact O-N 3.12Å; N186-M191 HydrophobicContact CB-CE 4.02Å; N186-K195 PolarHBondContact ND2-O 3.42Å | ||
| 187 | A | 86.6 | Confident | 90.9 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | trans | -74.8 | 98.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E183 T185 L189 E190 M191 | E183-A187 HydrophobicContact CG-CB 4.38Å; T185-A187 PolarHBondContact O-N 2.82Å; T185-A187 VanDerWaalsContact O-N 3.16Å; A187-L189 PolarHBondContact O-N 2.84Å; A187-E190 PolarHBondContact O-N 2.9Å; A187-M191 PolarHBondContact O-N 3.36Å | ||
| 188 | I | 83.9 | Confident | 91.1 | Very high | 97 Ų | 97 | 50.3 Ų | 50.3 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -22.6 | -170.7 | -164.8 | 60.2 | 0 | 0 | 0 | 115.8 | N186 M191 P327 F328 | N186-I188 PolarHBondContact O-N 2.86Å; N186-I188 VanDerWaalsContact O-N 3.12Å; I188-M191 HydrophobicContact CD1-CE 4.36Å; I188-M191 HydrophobicContact CD1-SD 3.91Å; I188-P327 HydrophobicContact CD1-CB 4.03Å; I188-F328 HydrophobicContact CD1-CE1 4.43Å; I188-F328 HydrophobicContact CD1-CE2 4.18Å; I188-F328 HydrophobicContact CD1-CZ 3.86Å |
| 189 | L | 83.3 | Confident | 91.4 | Very high | 151 Ų | 151 | 49.3 Ų | 49.3 | 79% | 0.791 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -21.5 | 178.3 | -65 | 177.4 | 0 | 0 | 0 | 114.4 | A187 | A187-L189 PolarHBondContact O-N 2.84Š|
| 190 | E | 85.9 | Confident | 91.8 | Very high | 91 Ų | 91 | 43.9 Ų | 43.9 | 43% | 0.425 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -113.8 | 15.4 | 176.8 | -49.2 | -60.2 | 153.7 | 0 | 0 | 110.9 | Q181 E183 A187 Q192 K1029 | Q181-E190 PolarHBondContact NE2-O 3.07Å; Q181-E190 PolarHBondContact OE1-O 3.25Å; E183-E190 HydrophobicContact CB-CB 4.03Å; E183-E190 HydrophobicContact CG-CB 4.37Å; A187-E190 PolarHBondContact O-N 2.9Å; E190-Q192 PolarHBondContact O-NE2 3.35Å; E190-Q192 VanDerWaalsContact O-NE2 3.14Å; E190-K1029 IonicContact OE1-NZ 2.72Å; E190-K1029 IonicContact OE2-NZ 3.26Å; E190-K1029 PolarHBondContact OE2-NZ 2.66Å |
| 191 | M | 89.7 | Confident | 92.1 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.059 | 23% | 0.225 | C | C | . | . | trans | -95.5 | 117.3 | -178.8 | -170.8 | -174.6 | -64.2 | 0 | 0 | 110.4 | N186 A187 I188 Y193 K195 P327 F328 | N186-M191 HydrophobicContact CB-CE 4.02Å; A187-M191 PolarHBondContact O-N 3.36Å; I188-M191 HydrophobicContact CD1-CE 4.36Å; I188-M191 HydrophobicContact CD1-SD 3.91Å; M191-Y193 WeakPolarHBondContact CG-O 3.34Å; M191-K195 HydrophobicContact CE-CB 4.05Å; M191-K195 HydrophobicContact CG-CB 4.09Å; M191-K195 HydrophobicContact SD-CB 3.98Å; M191-P327 HydrophobicContact SD-CB 3.78Å; M191-P327 HydrophobicContact SD-CG 3.86Å; M191-F328 HydrophobicContact CB-CE2 4.33Å; M191-F328 HydrophobicContact CG-CE2 3.97Å; M191-F328 WeakPolarHBondContact O-CZ 3.32Å; M191-F328 HydrophobicContact SD-CE2 4.01Å | ||
| 192 | Q | 91.1 | Very high | 92.4 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 34% | 0.341 | 22% | 0.223 | S | C | . | . | trans | -99.8 | -7.8 | -174.9 | -47.7 | -48.2 | -52.5 | 0 | 0 | 113.7 | W173 L177 E190 | W173-Q192 WeakPolarHBondContact CZ2-O 3.42Å; W173-Q192 PolarHBondContact NE1-O 2.83Å; L177-Q192 VanDerWaalsContact O-CB 3.3Å; L177-Q192 WeakPolarHBondContact O-CB 3.21Å; E190-Q192 PolarHBondContact O-NE2 3.35Å; E190-Q192 VanDerWaalsContact O-NE2 3.14Å | ||
| 193 | Y | 95.9 | Very high | 93 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -154.3 | 165.2 | 176.3 | 80.9 | -92.4 | 0 | 0 | 0 | 110.4 | H150 V169 W173 K178 Q181 M191 K195 | H150-Y193 AromaticContact CE1-CE1 3.64Å; H150-Y193 AromaticContact CE1-CZ 3.95Å; H150-Y193 PolarHBondContact CE1-OH 2.9Å; V169-Y193 HydrophobicContact CG1-CD2 3.38Å; V169-Y193 HydrophobicContact CG1-CE2 3.57Å; W173-Y193 VanDerWaalsContact NE1-CB 3.34Å; K178-Y193 HydrophobicContact CB-CD1 4.22Å; K178-Y193 HydrophobicContact CB-CG 4.38Å; K178-Y193 HydrophobicContact CG-CD1 3.6Å; K178-Y193 HydrophobicContact CG-CD2 4.16Å; K178-Y193 HydrophobicContact CG-CE1 3.68Å; K178-Y193 HydrophobicContact CG-CE2 4.25Å; K178-Y193 HydrophobicContact CG-CG 3.83Å; Q181-Y193 HydrophobicContact CB-CD1 3.95Å; Q181-Y193 HydrophobicContact CB-CE1 3.81Å; Q181-Y193 HydrophobicContact CG-CD1 4.18Å; Q181-Y193 HydrophobicContact CG-CE1 3.82Å; M191-Y193 WeakPolarHBondContact CG-O 3.34Å; Y193-K195 HydrophobicContact CE2-CB 4.42Å; Y193-K195 PolarHBondContact O-N 3.19Å |
| 194 | P | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -64.1 | 91.4 | 176.2 | -22.3 | 35.3 | 0 | 0 | 0 | 113.2 | V169 W173 V196 Y326 P327 F328 M332 | V169-P194 HydrophobicContact CG2-CB 4.12Å; W173-P194 HydrophobicContact CE3-CG 4.43Å; W173-P194 HydrophobicContact CZ3-CG 4.42Å; P194-V196 VanDerWaalsContact C-N 3.31Å; P194-V196 PolarHBondContact O-N 3.04Å; P194-Y326 HydrophobicContact CB-CD1 4.41Å; P194-Y326 HydrophobicContact CB-CE1 3.53Å; P194-Y326 WeakPolarHBondContact CB-OH 3.45Å; P194-Y326 HydrophobicContact CG-CE1 3.73Å; P194-P327 WeakPolarHBondContact CG-O 3.28Å; P194-F328 HydrophobicContact CG-CB 4.35Å; P194-F328 HydrophobicContact CG-CD2 4.27Å; P194-M332 HydrophobicContact CG-CE 3.72Å | ||
| 195 | K | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -78.9 | 74 | -174 | -166.8 | -178.9 | -167.6 | -70.1 | 0 | 111.7 | E147 S149 H150 E183 S184 N186 M191 Y193 | E147-K195 IonicContact OE2-NZ 3.95Å; E147-K195 PolarHBondContact OE2-NZ 2.97Å; S149-K195 WeakPolarHBondContact O-CE 3.28Å; S149-K195 PolarHBondContact O-NZ 3.29Å; H150-K195 WeakPolarHBondContact ND1-CE 3.43Å; E183-K195 VanDerWaalsContact O-CE 3.32Å; E183-K195 WeakPolarHBondContact O-CE 3.46Å; S184-K195 PolarHBondContact O-NZ 2.71Å; N186-K195 PolarHBondContact ND2-O 3.42Å; M191-K195 HydrophobicContact CE-CB 4.05Å; M191-K195 HydrophobicContact CG-CB 4.09Å; M191-K195 HydrophobicContact SD-CB 3.98Å; Y193-K195 HydrophobicContact CE2-CB 4.42Å; Y193-K195 PolarHBondContact O-N 3.19Å | ||
| 196 | V | 97.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | trans | -134.2 | 8.3 | -173.1 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | P194 Y199 F215 N298 Y326 P327 | P194-V196 VanDerWaalsContact C-N 3.31Å; P194-V196 PolarHBondContact O-N 3.04Å; V196-Y199 HydrophobicContact CB-CE2 4.08Å; V196-Y199 WeakPolarHBondContact O-CD2 3.33Å; V196-Y199 WeakPolarHBondContact O-CE2 3.47Å; V196-F215 HydrophobicContact CB-CE2 4.05Å; V196-F215 HydrophobicContact CB-CZ 3.96Å; V196-F215 HydrophobicContact CG1-CE2 3.75Å; V196-F215 HydrophobicContact CG1-CZ 3.88Å; V196-F215 HydrophobicContact CG2-CE2 4.4Å; V196-N298 HydrophobicContact CB-CB 4.37Å; V196-N298 HydrophobicContact CG2-CB 4.37Å; V196-N298 PolarHBondContact O-N 2.91Å; V196-N298 VanDerWaalsContact O-N 3.15Å; V196-Y326 HydrophobicContact CG2-CD2 4.5Å; V196-Y326 HydrophobicContact CG2-CE2 3.81Å; V196-P327 HydrophobicContact CG1-CG 4.29Å | ||
| 197 | Q | 96.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -81.3 | -27.9 | -165.5 | -61.8 | -174.8 | -66 | 0 | 0 | 114.7 | E147 D167 V169 D170 G297 | E147-Q197 PolarHBondContact OE1-N 3.21Å; D167-Q197 PolarHBondContact OD2-NE2 2.82Å; V169-Q197 HydrophobicContact CB-CG 4.16Å; V169-Q197 VanDerWaalsContact CG1-CD 3.44Å; V169-Q197 HydrophobicContact CG1-CG 3.96Å; V169-Q197 HydrophobicContact CG2-CG 4.45Å; D170-Q197 PolarHBondContact OD1-NE2 3.08Å; Q197-G297 WeakPolarHBondContact O-CA 3.35Å |
| 198 | K | 98.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | trans | -139.1 | 99.8 | -173.2 | -68.4 | 179.8 | 179.1 | -179.4 | 0 | 112.3 | E147 F148 E154 V157 G296 | E147-K198 CarbonylContact C-O 3.48Å; E147-K198 VanDerWaalsContact CA-O 3.25Å; E147-K198 WeakPolarHBondContact CA-O 3.46Å; E147-K198 WeakPolarHBondContact CG-O 3.46Å; E147-K198 PolarHBondContact OE1-N 3.47Å; F148-K198 HydrophobicContact CD1-CB 4.42Å; F148-K198 VanDerWaalsContact CD1-O 3.24Å; F148-K198 WeakPolarHBondContact CD1-O 3.25Å; F148-K198 HydrophobicContact CD2-CB 4.42Å; F148-K198 HydrophobicContact CE1-CB 3.98Å; F148-K198 HydrophobicContact CE2-CB 3.99Å; F148-K198 HydrophobicContact CE2-CD 4.18Å; F148-K198 HydrophobicContact CZ-CB 3.75Å; F148-K198 HydrophobicContact CZ-CD 4.47Å; F148-K198 HydrophobicContact CZ-CG 4.47Å; F148-K198 PolarHBondContact N-O 2.88Å; E154-K198 HydrophobicContact CG-CD 3.93Å; E154-K198 VanDerWaalsContact CG-NZ 3.27Å; E154-K198 PolarHBondContact O-NZ 3.11Å; E154-K198 IonicContact OE1-NZ 3.22Å; V157-K198 WeakPolarHBondContact O-CE 3.32Å; V157-K198 PolarHBondContact O-NZ 3.26Å; K198-G296 CarbonylContact C-O 3.56Å; K198-G296 WeakPolarHBondContact CA-O 3.21Å | ||
| 199 | Y | 98.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 9% | 0.09 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.6 | 177.3 | -73.5 | -80 | 0 | 0 | 0 | 112.3 | L146 E147 F148 V196 F215 G296 N298 | L146-Y199 WeakPolarHBondContact O-CA 3.29Å; E147-Y199 HydrophobicContact CB-CD1 3.84Å; E147-Y199 HydrophobicContact CB-CE1 3.58Å; E147-Y199 HydrophobicContact CG-CD1 4.13Å; E147-Y199 HydrophobicContact CG-CD2 4.4Å; E147-Y199 HydrophobicContact CG-CE1 3.89Å; E147-Y199 HydrophobicContact CG-CE2 4.18Å; E147-Y199 HydrophobicContact CG-CG 4.38Å; F148-Y199 VanDerWaalsContact CE1-C 3.45Å; V196-Y199 HydrophobicContact CB-CE2 4.08Å; V196-Y199 WeakPolarHBondContact O-CD2 3.33Å; V196-Y199 WeakPolarHBondContact O-CE2 3.47Å; Y199-F215 HydrophobicContact CE2-CZ 4.33Å; Y199-G296 PolarHBondContact N-O 2.88Å; Y199-G296 PolarHBondContact O-N 3.43Å; Y199-N298 HydrophobicContact CE2-CB 4.47Å |
| 200 | C | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.8 | 167.6 | 175.8 | 0 | 0 | 0 | 0 | 107.8 | L146 F148 V294 F295 | L146-C200 WeakPolarHBondContact CB-O 3.42Å; L146-C200 HydrophobicContact CD2-CB 4.33Å; L146-C200 HydrophobicContact CG-CB 4.43Å; L146-C200 PolarHBondContact O-N 3.17Å; F148-C200 HydrophobicContact CD1-CB 3.67Å; F148-C200 HydrophobicContact CE1-CB 3.95Å; C200-V294 WeakPolarHBondContact CA-O 3.46Å; C200-F295 HydrophobicContact CB-CD1 4.11Å; C200-F295 HydrophobicContact CB-CE1 3.95Å |
| 201 | L | 98.5 | Very high | 96.5 | Very high | 17 Ų | 17 | 15.5 Ų | 15.5 | 9% | 0.089 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.3 | 177.8 | -50.6 | 83.1 | 0 | 0 | 0 | 108.8 | V143 I144 Y222 V294 | V143-L201 CarbonylContact O-C 3.33Å; V143-L201 VanDerWaalsContact O-CA 3.28Å; V143-L201 WeakPolarHBondContact O-CA 3.09Å; I144-L201 HydrophobicContact CB-CD2 3.83Å; I144-L201 HydrophobicContact CB-CG 4.42Å; I144-L201 HydrophobicContact CG2-CD2 4.05Å; L201-Y222 HydrophobicContact CD1-CE2 4.29Å; L201-Y222 HydrophobicContact CD2-CE2 3.73Å; L201-V294 HydrophobicContact CB-CB 4.15Å; L201-V294 HydrophobicContact CD1-CB 4.27Å; L201-V294 HydrophobicContact CD1-CG1 4.13Å; L201-V294 PolarHBondContact N-O 3.06Å; L201-V294 PolarHBondContact O-N 3.22Å |
| 202 | M | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 110.8 | -176.3 | -61.7 | 167 | -72.1 | 0 | 0 | 106.4 | V95 V98 M123 W126 Y130 N142 V143 L146 L293 | V95-M202 HydrophobicContact CB-SD 4.32Å; V95-M202 HydrophobicContact CG1-SD 3.78Å; V95-M202 HydrophobicContact CG2-CB 4.33Å; V95-M202 HydrophobicContact CG2-CG 3.93Å; V95-M202 HydrophobicContact CG2-SD 3.92Å; V98-M202 HydrophobicContact CB-SD 4.34Å; V98-M202 HydrophobicContact CG1-CE 4.47Å; V98-M202 HydrophobicContact CG1-SD 4.06Å; V98-M202 HydrophobicContact CG2-SD 4.41Å; M123-M202 HydrophobicContact CE-CE 4.09Å; M123-M202 HydrophobicContact CE-SD 4.16Å; M123-M202 HydrophobicContact SD-CE 4.13Å; W126-M202 HydrophobicContact CZ2-CB 3.67Å; W126-M202 WeakPolarHBondContact CZ2-O 3.25Å; W126-M202 PolarHBondContact NE1-SD 2.86Å; Y130-M202 HydrophobicContact CE2-CB 4.27Å; N142-M202 PolarHBondContact OD1-O 2.81Å; V143-M202 HydrophobicContact CB-CB 4.38Å; V143-M202 HydrophobicContact CB-CE 4.04Å; V143-M202 HydrophobicContact CG1-CE 3.64Å; V143-M202 HydrophobicContact CG2-CE 4.5Å; V143-M202 PolarHBondContact N-O 2.87Å; V143-M202 PolarHBondContact O-N 2.99Å; L146-M202 HydrophobicContact CB-CE 4.47Å; L146-M202 HydrophobicContact CD2-CE 3.53Å; M202-L293 HydrophobicContact CG-CD1 3.65Å |
| 203 | S | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131 | -173.6 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | N142 K229 T292 | N142-S203 VanDerWaalsContact OD1-CB 3.32Å; N142-S203 WeakPolarHBondContact OD1-CB 3.3Å; N142-S203 PolarHBondContact OD1-OG 2.95Å; S203-K229 PolarHBondContact OG-NZ 3.4Å; S203-T292 PolarHBondContact N-O 2.92Å; S203-T292 PolarHBondContact O-N 3.26Å |
| 204 | V | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -82.5 | 161 | 171.9 | -65.5 | 0 | 0 | 0 | 0 | 111.2 | Y129 Y130 L140 G206 C207 T288 D291 | Y129-V204 HydrophobicContact CE1-CG1 4.02Å; Y129-V204 HydrophobicContact CE1-CG2 4.26Å; Y130-V204 HydrophobicContact CD2-CG1 3.73Å; Y130-V204 HydrophobicContact CE2-CG1 4Å; Y130-V204 HydrophobicContact CG-CG1 4.4Å; L140-V204 HydrophobicContact CD2-CG2 4.15Å; V204-G206 PolarHBondContact O-N 2.92Å; V204-C207 WeakPolarHBondContact CG2-SG 3.3Å; V204-C207 WeakPolarHBondContact O-CB 3.47Å; V204-C207 PolarHBondContact O-N 3.4Å; V204-C207 VanDerWaalsContact O-N 3.1Å; V204-C207 PolarHBondContact O-SG 3.31Å; V204-T288 WeakPolarHBondContact O-CB 3.27Å; V204-T288 WeakPolarHBondContact O-CG2 3.3Å; V204-D291 VanDerWaalsContact CA-OD1 3.24Å; V204-D291 WeakPolarHBondContact CA-OD1 3.38Å; V204-D291 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 205 | R | 97.6 | Very high | 97.3 | Very high | 112 Ų | 112 | 17.4 Ų | 17.4 | 42% | 0.423 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 137 | 169 | -179.1 | 158.1 | -178.2 | -111 | -3.3 | 111.1 | E134 L140 C207 T288 P289 D291 | E134-R205 IonicContact OE1-CZ 3.52Å; E134-R205 IonicContact OE1-NE 2.79Å; E134-R205 IonicContact OE1-NH1 3.32Å; E134-R205 PolarHBondContact OE1-NH1 3.16Å; E134-R205 WeakPolarHBondContact OE2-CD 3.48Å; E134-R205 IonicContact OE2-CZ 3.55Å; E134-R205 IonicContact OE2-NH1 3.58Å; E134-R205 PolarHBondContact OE2-NH1 3.23Å; L140-R205 WeakPolarHBondContact CD2-O 3.49Å; R205-C207 VanDerWaalsContact C-N 3.3Å; R205-C207 PolarHBondContact O-N 3.41Å; R205-T288 WeakPolarHBondContact CA-O 3.48Å; R205-P289 VanDerWaalsContact CD-O 3.28Å; R205-P289 WeakPolarHBondContact CD-O 3.27Å; R205-P289 WeakPolarHBondContact CG-O 3.23Å; R205-P289 PolarHBondContact NE-O 3.47Å; R205-D291 PolarHBondContact N-OD1 3.1Å |
| 206 | G | 94.3 | Very high | 97.3 | Very high | 19 Ų | 19 | 17.4 Ų | 17.4 | 20% | 0.196 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -8.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | V204 Y208 T288 | V204-G206 PolarHBondContact O-N 2.92Å; G206-Y208 PolarHBondContact O-N 3.2Å; G206-T288 PolarHBondContact N-O 2.67Å |
| 207 | C | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -64.8 | 121.8 | 176.7 | -76.7 | 0 | 0 | 0 | 0 | 112.1 | V113 Y141 N142 V204 R205 Y287 T288 | V113-C207 HydrophobicContact CG2-CB 4.16Å; Y141-C207 PolarHBondContact O-SG 3.35Å; N142-C207 HydrophobicContact CB-CB 4.21Å; V204-C207 WeakPolarHBondContact CG2-SG 3.3Å; V204-C207 WeakPolarHBondContact O-CB 3.47Å; V204-C207 PolarHBondContact O-N 3.4Å; V204-C207 VanDerWaalsContact O-N 3.1Å; V204-C207 PolarHBondContact O-SG 3.31Å; R205-C207 VanDerWaalsContact C-N 3.3Å; R205-C207 PolarHBondContact O-N 3.41Å; C207-Y287 CarbonylContact O-C 3.59Å; C207-Y287 WeakPolarHBondContact O-CA 3.49Å; C207-T288 WeakPolarHBondContact CB-OG1 3.47Å; C207-T288 VanDerWaalsContact O-CB 3.31Å; C207-T288 WeakPolarHBondContact O-CB 3.39Å; C207-T288 PolarHBondContact O-N 3.45Å; C207-T288 PolarHBondContact O-OG1 2.79Å | ||
| 208 | Y | 96.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.2 | 170.5 | 176.7 | -103.7 | 0 | 0 | 0 | 110.6 | F38 L40 Q116 G206 D210 W232 F257 A285 V286 | F38-Y208 HydrophobicContact CZ-CE1 4.18Å; L40-Y208 HydrophobicContact CD1-CD1 4.5Å; L40-Y208 HydrophobicContact CD1-CD2 3.56Å; L40-Y208 HydrophobicContact CD1-CE2 3.62Å; L40-Y208 HydrophobicContact CD1-CG 4.02Å; L40-Y208 HydrophobicContact CD2-CD2 4.28Å; L40-Y208 HydrophobicContact CD2-CG 4.37Å; Q116-Y208 PolarHBondContact NE2-O 2.99Å; G206-Y208 PolarHBondContact O-N 3.2Å; Y208-D210 HydrophobicContact CE1-CB 3.82Å; Y208-D210 WeakPolarHBondContact CE1-OD1 3.41Å; Y208-D210 PolarHBondContact OH-OD1 3.39Å; Y208-W232 HydrophobicContact CD2-CZ3 4.16Å; Y208-W232 HydrophobicContact CE2-CE3 4.39Å; Y208-W232 HydrophobicContact CE2-CH2 4.42Å; Y208-W232 AromaticContact CE2-CZ3 3.86Å; Y208-W232 HydrophobicContact CE2-CZ3 3.86Å; Y208-F257 HydrophobicContact CE2-CE2 4.46Å; Y208-A285 HydrophobicContact CE2-CB 3.97Å; Y208-V286 CarbonylContact C-O 3.38Å; Y208-V286 WeakPolarHBondContact CA-O 3.38Å |
| 209 | T | 95.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 15.7 Ų | 15.7 | 6% | 0.061 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.2 | 167.8 | -66.2 | 0 | 0 | 0 | 0 | 107.3 | M111 N142 I144 V286 | M111-T209 HydrophobicContact CE-CG2 4.36Å; N142-T209 PolarHBondContact ND2-OG1 2.7Å; N142-T209 VanDerWaalsContact ND2-OG1 3.13Å; I144-T209 HydrophobicContact CD1-CG2 4.32Å; T209-V286 PolarHBondContact N-O 3.23Å; T209-V286 PolarHBondContact O-N 3.43Å |
| 210 | D | 95.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 15 Ų | 15 | 8% | 0.075 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 175.9 | -171.4 | -145.6 | -13.2 | 0 | 0 | 0 | 113.3 | Q116 Y208 H212 | Q116-D210 VanDerWaalsContact OE1-N 3.14Å; Y208-D210 HydrophobicContact CE1-CB 3.82Å; Y208-D210 WeakPolarHBondContact CE1-OD1 3.41Å; Y208-D210 PolarHBondContact OH-OD1 3.39Å; D210-H212 PolarHBondContact O-N 3.1Å; D210-H212 PolarHBondContact O-ND1 2.9Å |
| 211 | F | 97.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 15 Ų | 15 | 2% | 0.022 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 122.8 | -178.4 | -74.5 | -83 | 0 | 0 | 0 | 112.5 | W232 I234 W247 F257 L258 I283 H284 A285 | F211-W232 HydrophobicContact CE1-CB 3.88Å; F211-W232 HydrophobicContact CZ-CB 3.89Å; F211-W232 HydrophobicContact CZ-CG 4.42Å; F211-I234 HydrophobicContact CD1-CD1 3.88Å; F211-I234 HydrophobicContact CE1-CD1 3.55Å; F211-I234 HydrophobicContact CE1-CG1 4.16Å; F211-I234 HydrophobicContact CZ-CD1 4.27Å; F211-W247 HydrophobicContact CB-CH2 4Å; F211-W247 HydrophobicContact CB-CZ2 4.46Å; F211-W247 HydrophobicContact CB-CZ3 4.33Å; F211-W247 WeakPolarHBondContact O-CH2 3.41Å; F211-W247 VanDerWaalsContact O-CZ3 3.23Å; F211-W247 WeakPolarHBondContact O-CZ3 3.48Å; F211-F257 HydrophobicContact CE2-CD1 4.01Å; F211-F257 AromaticContact CE2-CD2 3.68Å; F211-F257 HydrophobicContact CE2-CD2 3.68Å; F211-F257 AromaticContact CE2-CE1 3.8Å; F211-F257 HydrophobicContact CE2-CE1 3.8Å; F211-F257 AromaticContact CE2-CE2 3.49Å; F211-F257 HydrophobicContact CE2-CE2 3.49Å; F211-F257 VanDerWaalsContact CE2-CE2 3.49Å; F211-F257 AromaticContact CE2-CG 3.96Å; F211-F257 HydrophobicContact CE2-CG 3.96Å; F211-F257 AromaticContact CE2-CZ 3.54Å; F211-F257 HydrophobicContact CE2-CZ 3.54Å; F211-F257 HydrophobicContact CZ-CD1 4.3Å; F211-F257 HydrophobicContact CZ-CD2 4.49Å; F211-F257 AromaticContact CZ-CE1 3.7Å; F211-F257 HydrophobicContact CZ-CE1 3.7Å; F211-F257 AromaticContact CZ-CE2 3.96Å; F211-F257 HydrophobicContact CZ-CE2 3.96Å; F211-F257 AromaticContact CZ-CZ 3.52Å; F211-F257 HydrophobicContact CZ-CZ 3.52Å; F211-L258 HydrophobicContact CB-CB 4.07Å; F211-L258 HydrophobicContact CB-CD2 3.97Å; F211-L258 HydrophobicContact CD1-CB 4.28Å; F211-L258 HydrophobicContact CD2-CB 3.57Å; F211-L258 HydrophobicContact CE2-CB 4.01Å; F211-L258 HydrophobicContact CG-CB 3.7Å; F211-L258 HydrophobicContact CG-CD2 4.25Å; F211-I283 HydrophobicContact CB-CG2 4.29Å; F211-I283 HydrophobicContact CD1-CG2 4.2Å; F211-H284 CarbonylContact C-O 3.54Å; F211-H284 WeakPolarHBondContact CA-O 3.41Å; F211-A285 HydrophobicContact CB-CB 4.5Å; F211-A285 HydrophobicContact CD1-CB 3.71Å; F211-A285 HydrophobicContact CD2-CB 3.83Å; F211-A285 HydrophobicContact CE1-CB 3.76Å; F211-A285 HydrophobicContact CE2-CB 3.89Å; F211-A285 HydrophobicContact CG-CB 3.76Å; F211-A285 HydrophobicContact CZ-CB 3.86Å |
| 212 | H | 97.5 | Very high | 97.4 | Very high | 47 Ų | 47 | 15 Ų | 15 | 22% | 0.218 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 168.8 | 178.2 | 61.5 | -64.9 | 0 | 0 | 0 | 111.6 | D210 Y244 I283 H284 | D210-H212 PolarHBondContact O-N 3.1Å; D210-H212 PolarHBondContact O-ND1 2.9Å; H212-Y244 WeakPolarHBondContact CA-OH 3.27Å; H212-I283 CarbonylContact O-C 3.53Å; H212-I283 WeakPolarHBondContact O-CA 3.46Å; H212-H284 AromaticContact CE1-NE2 3.67Å; H212-H284 PolarHBondContact N-O 2.75Å; H212-H284 PolarHBondContact ND1-O 2.8Å; H212-H284 VanDerWaalsContact ND1-O 3.15Å; H212-H284 AromaticContact NE2-CE1 3.92Å; H212-H284 AromaticContact NE2-NE2 3.68Å; H212-H284 PolarHBondContact O-N 3.04Å |
| 213 | V | 98.4 | Very high | 97.4 | Very high | 17 Ų | 17 | 15.6 Ų | 15.6 | 10% | 0.103 | 8% | 0.076 | C | C | . | . | trans | -121.9 | 139 | 165.6 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | Y244 G281 I283 I311 | V213-Y244 HydrophobicContact CB-CE1 4.17Å; V213-Y244 HydrophobicContact CG2-CD1 4.11Å; V213-Y244 HydrophobicContact CG2-CE1 3.63Å; V213-Y244 PolarHBondContact N-OH 2.74Å; V213-Y244 VanDerWaalsContact N-OH 3.09Å; V213-G281 WeakPolarHBondContact CG2-O 3.49Å; V213-I283 HydrophobicContact CG2-CB 4.04Å; V213-I283 HydrophobicContact CG2-CG1 3.44Å; V213-I283 VanDerWaalsContact CG2-CG1 3.44Å; V213-I283 HydrophobicContact CG2-CG2 4.5Å; V213-I311 HydrophobicContact CB-CG2 4.45Å; V213-I311 HydrophobicContact CG1-CD1 3.92Å; V213-I311 HydrophobicContact CG1-CG1 3.9Å; V213-I311 HydrophobicContact CG1-CG2 3.82Å | ||
| 214 | D | 98 | Very high | 97.4 | Very high | 26 Ų | 26 | 15.6 Ų | 15.6 | 14% | 0.139 | 8% | 0.076 | C | C | . | . | trans | -65.7 | 154.2 | -179.4 | -74.5 | -71.4 | 0 | 0 | 0 | 113.8 | G217 T218 V220 H284 | D214-G217 WeakPolarHBondContact O-CA 3.18Å; D214-G217 PolarHBondContact O-N 2.96Å; D214-T218 WeakPolarHBondContact CB-OG1 3.41Å; D214-V220 HydrophobicContact CB-CG2 4.18Å; D214-V220 VanDerWaalsContact OD2-CG2 3.27Å; D214-V220 WeakPolarHBondContact OD2-CG2 3.43Å; D214-H284 IonicContact OD2-CE1 3.73Å; D214-H284 PolarHBondContact OD2-CE1 3.16Å; D214-H284 VanDerWaalsContact OD2-CE1 3.31Å | ||
| 215 | F | 96.9 | Very high | 97.5 | Very high | 37 Ų | 37 | 16.1 Ų | 16.1 | 16% | 0.162 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -67 | 135.3 | -164.5 | 53.1 | -96.9 | 0 | 0 | 0 | 113.2 | V196 Y199 G217 T218 N298 E315 F324 Y326 | V196-F215 HydrophobicContact CB-CE2 4.05Å; V196-F215 HydrophobicContact CB-CZ 3.96Å; V196-F215 HydrophobicContact CG1-CE2 3.75Å; V196-F215 HydrophobicContact CG1-CZ 3.88Å; V196-F215 HydrophobicContact CG2-CE2 4.4Å; Y199-F215 HydrophobicContact CE2-CZ 4.33Å; F215-G217 PolarHBondContact O-N 3.28Å; F215-G217 VanDerWaalsContact O-N 3.16Å; F215-T218 HydrophobicContact CE2-CG2 4.39Å; F215-T218 WeakPolarHBondContact O-CG2 3.43Å; F215-T218 PolarHBondContact O-N 3.44Å; F215-T218 PolarHBondContact O-OG1 3.31Å; F215-T218 VanDerWaalsContact O-OG1 3.12Å; F215-N298 HydrophobicContact CE2-CB 4.3Å; F215-N298 HydrophobicContact CZ-CB 3.82Å; F215-E315 VanDerWaalsContact CA-OE1 3.27Å; F215-E315 WeakPolarHBondContact CA-OE1 3.24Å; F215-F324 WeakPolarHBondContact CB-O 3.44Å; F215-Y326 AromaticContact CD2-CD2 3.91Å; F215-Y326 HydrophobicContact CD2-CD2 3.91Å; F215-Y326 HydrophobicContact CD2-CG 4.36Å; F215-Y326 AromaticContact CE2-CD2 3.84Å; F215-Y326 HydrophobicContact CE2-CD2 3.84Å |
| 216 | G | 96 | Very high | 97.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | 61.5 | 12 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E315 Y329 | G216-E315 PolarHBondContact N-OE1 2.93Å; G216-Y329 WeakPolarHBondContact O-CE2 3.33Å |
| 217 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | 69.5 | 34.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D214 F215 S280 | D214-G217 WeakPolarHBondContact O-CA 3.18Å; D214-G217 PolarHBondContact O-N 2.96Å; F215-G217 PolarHBondContact O-N 3.28Å; F215-G217 VanDerWaalsContact O-N 3.16Å; G217-S280 WeakPolarHBondContact O-CA 3.22Å; G217-S280 WeakPolarHBondContact O-CB 3.31Å; G217-S280 PolarHBondContact O-OG 2.88Å |
| 218 | T | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | trans | -57 | 147.4 | 174.9 | 36.1 | 0 | 0 | 0 | 0 | 112.7 | D214 F215 N298 F299 L300 Y326 | D214-T218 WeakPolarHBondContact CB-OG1 3.41Å; F215-T218 HydrophobicContact CE2-CG2 4.39Å; F215-T218 WeakPolarHBondContact O-CG2 3.43Å; F215-T218 PolarHBondContact O-N 3.44Å; F215-T218 PolarHBondContact O-OG1 3.31Å; F215-T218 VanDerWaalsContact O-OG1 3.12Å; T218-N298 WeakPolarHBondContact CB-OD1 3.24Å; T218-N298 HydrophobicContact CG2-CB 4.06Å; T218-N298 PolarHBondContact OG1-OD1 3.11Å; T218-F299 WeakPolarHBondContact CA-O 3.32Å; T218-F299 WeakPolarHBondContact CB-O 3.43Å; T218-L300 HydrophobicContact CG2-CD2 3.65Å; T218-L300 HydrophobicContact CG2-CG 3.87Å; T218-Y326 HydrophobicContact CG2-CD2 3.66Å; T218-Y326 HydrophobicContact CG2-CE2 3.73Å | ||
| 219 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 150.6 | 158.5 | -67.3 | 0 | 0 | 0 | 0 | 108.9 | I278 S280 F299 H301 | S219-I278 CarbonylContact C-O 3.58Å; S219-I278 VanDerWaalsContact CA-O 3.27Å; S219-I278 WeakPolarHBondContact CA-O 3.43Å; S219-I278 WeakPolarHBondContact CB-O 3.29Å; S219-S280 PolarHBondContact OG-N 2.85Å; S219-F299 VanDerWaalsContact CB-CZ 3.46Å; S219-F299 PolarHBondContact N-O 2.82Å; S219-F299 WeakPolarHBondContact O-CD1 3.34Å; S219-F299 PolarHBondContact O-N 2.96Å; S219-H301 PolarHBondContact OG-CD2 2.88Å; S219-H301 PolarHBondContact OG-NE2 2.75Å |
| 220 | V | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 14 Ų | 14 | 5% | 0.048 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141 | -176.5 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | D214 Y222 V277 I278 G297 N298 | D214-V220 HydrophobicContact CB-CG2 4.18Å; D214-V220 VanDerWaalsContact OD2-CG2 3.27Å; D214-V220 WeakPolarHBondContact OD2-CG2 3.43Å; V220-Y222 HydrophobicContact CG1-CD2 4.35Å; V220-V277 CarbonylContact O-C 3.46Å; V220-V277 VanDerWaalsContact O-CA 3.27Å; V220-V277 WeakPolarHBondContact O-CA 3.46Å; V220-I278 HydrophobicContact CB-CB 4.24Å; V220-I278 PolarHBondContact N-O 3.06Å; V220-I278 PolarHBondContact O-N 3.35Å; V220-G297 WeakPolarHBondContact CA-O 3.36Å; V220-N298 WeakPolarHBondContact CG2-OD1 3.38Å |
| 221 | W | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.5 | 162.2 | 72.7 | -84.7 | 0 | 0 | 0 | 109.3 | M88 V157 R159 H223 F276 V277 F295 G296 G297 F299 | M88-W221 HydrophobicContact CE-CH2 4.15Å; M88-W221 HydrophobicContact CE-CZ3 3.79Å; V157-W221 HydrophobicContact CG1-CH2 3.96Å; R159-W221 HydrophobicContact CB-CD2 3.8Å; R159-W221 HydrophobicContact CB-CE3 4.34Å; R159-W221 HydrophobicContact CB-CG 4.35Å; R159-W221 HydrophobicContact CB-CH2 4.08Å; R159-W221 HydrophobicContact CB-CZ2 3.49Å; R159-W221 VanDerWaalsContact CB-CZ2 3.49Å; R159-W221 HydrophobicContact CB-CZ3 4.46Å; W221-H223 HydrophobicContact CZ3-CB 4.19Å; W221-F276 CarbonylContact C-O 3.57Å; W221-F276 WeakPolarHBondContact CA-O 3.42Å; W221-V277 HydrophobicContact CB-CG2 4.46Å; W221-F295 HydrophobicContact CH2-CB 4.44Å; W221-F295 WeakPolarHBondContact CZ3-O 3.46Å; W221-G296 VanDerWaalsContact CE2-C 3.4Å; W221-G296 WeakPolarHBondContact CZ2-O 3.45Å; W221-G296 CarbonylContact O-C 3.15Å; W221-G296 WeakPolarHBondContact O-CA 3.42Å; W221-G297 VanDerWaalsContact CD1-O 3.23Å; W221-G297 PolarHBondContact N-O 2.94Å; W221-G297 VanDerWaalsContact NE1-CA 3.32Å; W221-G297 PolarHBondContact O-N 2.63Å; W221-F299 HydrophobicContact CB-CE1 4.43Å |
| 222 | Y | 98.3 | Very high | 98.1 | Very high | 16 Ų | 16 | 13.1 Ų | 13.1 | 6% | 0.063 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 112.9 | -164.5 | -159 | -85.5 | 0 | 0 | 0 | 110.6 | L201 V220 I224 K229 F231 L270 T275 F276 V294 | L201-Y222 HydrophobicContact CD1-CE2 4.29Å; L201-Y222 HydrophobicContact CD2-CE2 3.73Å; V220-Y222 HydrophobicContact CG1-CD2 4.35Å; Y222-I224 HydrophobicContact CD1-CD1 3.8Å; Y222-I224 HydrophobicContact CE1-CD1 3.59Å; Y222-K229 HydrophobicContact CE1-CG 4.11Å; Y222-K229 WeakPolarHBondContact OH-CE 3.49Å; Y222-F231 HydrophobicContact CD1-CE2 4.49Å; Y222-F231 HydrophobicContact CD1-CZ 4.27Å; Y222-F231 HydrophobicContact CE1-CE2 4.1Å; Y222-F231 AromaticContact CE1-CZ 3.97Å; Y222-F231 HydrophobicContact CE1-CZ 3.97Å; Y222-F231 HydrophobicContact CE2-CZ 4.24Å; Y222-F231 AromaticContact CZ-CZ 3.95Å; Y222-L270 HydrophobicContact CD1-CD1 4.25Å; Y222-T275 CarbonylContact O-C 3.56Å; Y222-T275 WeakPolarHBondContact O-CA 3.45Å; Y222-F276 PolarHBondContact N-O 2.59Å; Y222-F276 PolarHBondContact O-N 3.07Å; Y222-V294 HydrophobicContact CD1-CG1 3.52Å; Y222-V294 HydrophobicContact CD2-CG1 4.17Å; Y222-V294 HydrophobicContact CE1-CB 4.19Å; Y222-V294 HydrophobicContact CE1-CG1 3.38Å; Y222-V294 HydrophobicContact CE1-CG2 3.8Å; Y222-V294 HydrophobicContact CE2-CG1 4.07Å; Y222-V294 HydrophobicContact CG-CG1 3.92Å |
| 223 | H | 98.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 10.9 Ų | 10.9 | 7% | 0.065 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.7 | -175.9 | -178 | 82.7 | 0 | 0 | 0 | 112 | I86 M88 W221 H225 G273 Y274 T275 V294 F295 | I86-H223 WeakPolarHBondContact CD1-ND1 3.31Å; M88-H223 HydrophobicContact CE-CB 3.87Å; W221-H223 HydrophobicContact CZ3-CB 4.19Å; H223-H225 PolarHBondContact O-N 2.68Å; H223-H225 VanDerWaalsContact O-N 3.14Å; H223-G273 PolarHBondContact CE1-O 3.23Å; H223-G273 VanDerWaalsContact CE1-O 3.26Å; H223-Y274 WeakPolarHBondContact CA-O 3.43Å; H223-T275 HydrophobicContact CB-CG2 4.42Å; H223-T275 PolarHBondContact ND1-OG1 3.02Å; H223-V294 WeakPolarHBondContact O-CA 3.47Å; H223-V294 VanDerWaalsContact O-CG1 3.24Å; H223-V294 WeakPolarHBondContact O-CG1 3.43Å; H223-F295 WeakPolarHBondContact CB-O 3.49Å; H223-F295 PolarHBondContact N-O 2.99Å; H223-F295 PolarHBondContact O-N 2.95Å; H223-F295 VanDerWaalsContact O-N 3.11Å |
| 224 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 97.1 | 179.6 | -48.1 | -57.4 | 0 | 0 | 0 | 109.5 | Y222 G227 K229 L270 K271 G273 Y274 V294 | Y222-I224 HydrophobicContact CD1-CD1 3.8Å; Y222-I224 HydrophobicContact CE1-CD1 3.59Å; I224-G227 WeakPolarHBondContact CG2-O 3.46Å; I224-K229 HydrophobicContact CD1-CB 4.26Å; I224-K229 HydrophobicContact CD1-CG 3.82Å; I224-L270 HydrophobicContact CD1-CB 4.11Å; I224-L270 HydrophobicContact CD1-CD1 4.17Å; I224-L270 HydrophobicContact CG1-CB 3.81Å; I224-L270 HydrophobicContact CG1-CD1 4.45Å; I224-K271 WeakPolarHBondContact CB-O 3.39Å; I224-G273 PolarHBondContact O-N 2.51Å; I224-Y274 PolarHBondContact N-O 2.92Å; I224-V294 HydrophobicContact CD1-CG2 3.95Å |
| 225 | H | 98.2 | Very high | 98.2 | Very high | 11 Ų | 11 | 9.8 Ų | 9.8 | 5% | 0.051 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -41.3 | -178.9 | 177.5 | -99.1 | 0 | 0 | 0 | 112 | P89 D90 H223 Q272 L293 F295 | P89-H225 PolarHBondContact O-NE2 2.99Å; D90-H225 PolarHBondContact O-CE1 2.92Å; D90-H225 PolarHBondContact O-NE2 2.82Å; H223-H225 PolarHBondContact O-N 2.68Å; H223-H225 VanDerWaalsContact O-N 3.14Å; H225-Q272 WeakPolarHBondContact O-CG 3.4Å; H225-Q272 PolarHBondContact O-NE2 3.22Å; H225-L293 PolarHBondContact N-O 3.25Å; H225-F295 HydrophobicContact CB-CD2 3.92Å; H225-F295 HydrophobicContact CB-CE2 4.02Å; H225-F295 AromaticContact CG-CE2 3.86Å |
| 226 | Q | 97.4 | Very high | 98.3 | Very high | 47 Ų | 47 | 9.1 Ų | 9.1 | 22% | 0.22 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144.5 | 171.8 | -68.7 | 165.8 | -1.8 | 0 | 0 | 110.1 | P91 F93 T292 L293 | P91-Q226 PolarHBondContact O-NE2 2.84Å; F93-Q226 PolarHBondContact O-NE2 2.92Å; Q226-T292 WeakPolarHBondContact O-CA 3.41Å; Q226-T292 WeakPolarHBondContact O-CG2 3.38Å; Q226-L293 HydrophobicContact CB-CB 4.2Å; Q226-L293 PolarHBondContact N-O 2.86Å; Q226-L293 VanDerWaalsContact N-O 3.11Å; Q226-L293 PolarHBondContact O-N 2.85Å |
| 227 | G | 97.6 | Very high | 98.4 | Very high | 23 Ų | 23 | 12 Ų | 12 | 24% | 0.237 | 7% | 0.073 | C | C | . | . | S | Bend | trans | 86.2 | -139.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | I224 Q272 | I224-G227 WeakPolarHBondContact CG2-O 3.46Å; G227-Q272 PolarHBondContact O-N 3.17Å |
| 228 | G | 97.5 | Very high | 98.3 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 6% | 0.062 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 165.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L270 P289 T292 | G228-L270 CarbonylContact C-O 3.52Å; G228-L270 VanDerWaalsContact CA-O 3.25Å; G228-L270 WeakPolarHBondContact CA-O 3.39Å; G228-P289 WeakPolarHBondContact O-CD 3.5Å; G228-T292 PolarHBondContact N-OG1 2.81Å; G228-T292 PolarHBondContact O-OG1 2.83Å |
| 229 | K | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.013 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.6 | 179.8 | -70.4 | -65 | -169.8 | 160.7 | 0 | 111.3 | S203 Y222 I224 F231 E269 L270 V286 Y287 T288 T292 | S203-K229 PolarHBondContact OG-NZ 3.4Å; Y222-K229 HydrophobicContact CE1-CG 4.11Å; Y222-K229 WeakPolarHBondContact OH-CE 3.49Å; I224-K229 HydrophobicContact CD1-CB 4.26Å; I224-K229 HydrophobicContact CD1-CG 3.82Å; K229-F231 HydrophobicContact CB-CD2 4.03Å; K229-F231 HydrophobicContact CB-CE2 3.7Å; K229-F231 HydrophobicContact CG-CE2 4.27Å; K229-E269 CarbonylContact O-C 3.52Å; K229-E269 WeakPolarHBondContact O-CA 2.9Å; K229-L270 HydrophobicContact CB-CB 4.35Å; K229-L270 PolarHBondContact N-O 3.05Å; K229-L270 PolarHBondContact O-N 2.91Å; K229-V286 HydrophobicContact CB-CG1 4.44Å; K229-V286 HydrophobicContact CD-CG1 3.9Å; K229-V286 HydrophobicContact CG-CG1 4.46Å; K229-Y287 WeakPolarHBondContact CD-O 3.27Å; K229-T288 HydrophobicContact CD-CG2 4.22Å; K229-T288 PolarHBondContact NZ-OG1 3.04Å; K229-T292 HydrophobicContact CD-CG2 4.25Å; K229-T292 HydrophobicContact CG-CG2 4.22Å |
| 230 | V | 98.7 | Very high | 98.2 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 10% | 0.103 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.4 | 167.7 | 179.2 | 0 | 0 | 0 | 0 | 108 | L44 W232 R267 I268 E269 V286 Y287 P289 | L44-V230 HydrophobicContact CD2-CB 4.31Å; L44-V230 HydrophobicContact CD2-CG1 4.08Å; L44-V230 HydrophobicContact CD2-CG2 4.43Å; V230-W232 HydrophobicContact CG1-CH2 4.42Å; V230-R267 HydrophobicContact CG1-CG 3.53Å; V230-I268 CarbonylContact C-O 3.57Å; V230-I268 WeakPolarHBondContact CA-O 3.42Å; V230-E269 HydrophobicContact CG2-CG 4.45Å; V230-V286 CarbonylContact O-C 3.49Å; V230-V286 WeakPolarHBondContact O-CA 3.43Å; V230-Y287 HydrophobicContact CB-CD1 4.4Å; V230-Y287 HydrophobicContact CG2-CD1 4.41Å; V230-Y287 PolarHBondContact N-O 3.18Å; V230-Y287 PolarHBondContact O-N 3.12Å; V230-P289 HydrophobicContact CG2-CG 4.4Å |
| 231 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.3 | 177 | -81.1 | -107.6 | 0 | 0 | 0 | 109.8 | Y222 K229 L233 R267 I268 L270 F276 I278 H284 A285 V286 | Y222-F231 HydrophobicContact CD1-CE2 4.49Å; Y222-F231 HydrophobicContact CD1-CZ 4.27Å; Y222-F231 HydrophobicContact CE1-CE2 4.1Å; Y222-F231 AromaticContact CE1-CZ 3.97Å; Y222-F231 HydrophobicContact CE1-CZ 3.97Å; Y222-F231 HydrophobicContact CE2-CZ 4.24Å; Y222-F231 AromaticContact CZ-CZ 3.95Å; K229-F231 HydrophobicContact CB-CD2 4.03Å; K229-F231 HydrophobicContact CB-CE2 3.7Å; K229-F231 HydrophobicContact CG-CE2 4.27Å; F231-L233 HydrophobicContact CB-CD2 4.11Å; F231-L233 HydrophobicContact CB-CG 4.42Å; F231-L233 HydrophobicContact CD1-CD2 4.24Å; F231-R267 CarbonylContact O-C 3.58Å; F231-R267 VanDerWaalsContact O-CA 3.28Å; F231-R267 WeakPolarHBondContact O-CA 3.43Å; F231-I268 HydrophobicContact CB-CG2 4.08Å; F231-I268 PolarHBondContact N-O 3.4Å; F231-I268 PolarHBondContact O-N 2.87Å; F231-L270 HydrophobicContact CD2-CD1 3.73Å; F231-L270 HydrophobicContact CD2-CG 4.01Å; F231-L270 HydrophobicContact CE2-CD1 3.44Å; F231-L270 VanDerWaalsContact CE2-CD1 3.44Å; F231-L270 HydrophobicContact CE2-CG 4.19Å; F231-L270 HydrophobicContact CZ-CD1 4.28Å; F231-F276 AromaticContact CD1-CE1 3.86Å; F231-F276 HydrophobicContact CD1-CE1 3.86Å; F231-F276 HydrophobicContact CE1-CD1 4.33Å; F231-F276 HydrophobicContact CE1-CE1 4.04Å; F231-F276 HydrophobicContact CE2-CD1 4.49Å; F231-F276 HydrophobicContact CG-CE1 4.13Å; F231-F276 HydrophobicContact CZ-CD1 4.32Å; F231-F276 HydrophobicContact CZ-CE1 4.45Å; F231-I278 HydrophobicContact CD1-CD1 4.32Å; F231-I278 HydrophobicContact CE1-CD1 3.71Å; F231-H284 AromaticContact CD1-CD2 3.77Å; F231-H284 AromaticContact CE1-CD2 3.66Å; F231-A285 WeakPolarHBondContact CA-O 3.4Å; F231-V286 HydrophobicContact CD1-CG2 3.76Å; F231-V286 HydrophobicContact CD2-CG1 4.21Å; F231-V286 HydrophobicContact CE1-CG1 4.36Å; F231-V286 HydrophobicContact CE1-CG2 3.46Å; F231-V286 VanDerWaalsContact CE1-CG2 3.46Å; F231-V286 HydrophobicContact CE2-CG1 3.86Å; F231-V286 HydrophobicContact CE2-CG2 4.44Å; F231-V286 HydrophobicContact CG-CG2 4.38Å; F231-V286 HydrophobicContact CZ-CG1 3.95Å; F231-V286 HydrophobicContact CZ-CG2 3.84Å |
| 232 | W | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.9 | 158.4 | -65.6 | -100.3 | 0 | 0 | 0 | 108 | L40 K43 L44 Y49 Y208 F211 V230 F257 Q266 R267 H284 A285 | L40-W232 HydrophobicContact CD1-CH2 4.24Å; K43-W232 HydrophobicContact CB-CZ2 4.01Å; K43-W232 WeakPolarHBondContact O-CZ2 3.14Å; K43-W232 PolarHBondContact O-NE1 2.86Å; L44-W232 HydrophobicContact CD2-CH2 3.58Å; L44-W232 HydrophobicContact CD2-CZ2 3.84Å; L44-W232 HydrophobicContact CG-CH2 4.06Å; L44-W232 HydrophobicContact CG-CZ2 4.13Å; Y49-W232 AromaticContact CD2-CD1 3.62Å; Y49-W232 AromaticContact CD2-NE1 3.38Å; Y49-W232 AromaticContact CE2-CD1 3.83Å; Y49-W232 AromaticContact CE2-NE1 3.36Å; Y49-W232 AromaticContact CG-CD1 3.96Å; Y208-W232 HydrophobicContact CD2-CZ3 4.16Å; Y208-W232 HydrophobicContact CE2-CE3 4.39Å; Y208-W232 HydrophobicContact CE2-CH2 4.42Å; Y208-W232 AromaticContact CE2-CZ3 3.86Å; Y208-W232 HydrophobicContact CE2-CZ3 3.86Å; F211-W232 HydrophobicContact CE1-CB 3.88Å; F211-W232 HydrophobicContact CZ-CB 3.89Å; F211-W232 HydrophobicContact CZ-CG 4.42Å; V230-W232 HydrophobicContact CG1-CH2 4.42Å; W232-F257 AromaticContact CD1-CZ 3.69Å; W232-F257 AromaticContact CD2-CZ 3.85Å; W232-F257 HydrophobicContact CD2-CZ 3.85Å; W232-F257 AromaticContact CE2-CZ 3.73Å; W232-F257 AromaticContact CG-CZ 3.83Å; W232-F257 HydrophobicContact CG-CZ 3.83Å; W232-F257 HydrophobicContact CZ2-CZ 4.35Å; W232-F257 AromaticContact NE1-CZ 3.61Å; W232-Q266 CarbonylContact C-O 3.48Å; W232-Q266 WeakPolarHBondContact CA-O 3.4Å; W232-R267 HydrophobicContact CD2-CG 4.28Å; W232-R267 HydrophobicContact CG-CB 4.43Å; W232-R267 HydrophobicContact CG-CG 4.3Å; W232-H284 WeakPolarHBondContact O-CA 3.44Å; W232-H284 VanDerWaalsContact O-CB 3.23Å; W232-H284 WeakPolarHBondContact O-CB 3.15Å; W232-A285 HydrophobicContact CE3-CB 4.13Å; W232-A285 PolarHBondContact N-O 3.07Å; W232-A285 PolarHBondContact O-N 2.98Å; W232-A285 VanDerWaalsContact O-N 3.11Å |
| 233 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.8 | -173.7 | -54.9 | 174.6 | 0 | 0 | 0 | 110 | F53 V54 P75 F231 C265 Q266 I268 F276 W282 H284 | F53-L233 HydrophobicContact CD2-CB 4.46Å; V54-L233 HydrophobicContact CG2-CD1 3.39Å; P75-L233 HydrophobicContact CB-CD1 4.35Å; P75-L233 HydrophobicContact CG-CD1 4.43Å; F231-L233 HydrophobicContact CB-CD2 4.11Å; F231-L233 HydrophobicContact CB-CG 4.42Å; F231-L233 HydrophobicContact CD1-CD2 4.24Å; L233-C265 WeakPolarHBondContact O-CA 3.43Å; L233-C265 PolarHBondContact O-SG 2.72Å; L233-C265 VanDerWaalsContact O-SG 3.35Å; L233-Q266 HydrophobicContact CB-CB 4.43Å; L233-Q266 PolarHBondContact N-O 2.69Å; L233-Q266 PolarHBondContact O-N 2.82Å; L233-I268 HydrophobicContact CD1-CG2 3.99Å; L233-F276 HydrophobicContact CD1-CZ 3.84Å; L233-F276 HydrophobicContact CD2-CE1 4.24Å; L233-F276 HydrophobicContact CD2-CZ 3.92Å; L233-W282 HydrophobicContact CB-CE3 4.2Å; L233-W282 HydrophobicContact CB-CZ3 4.22Å; L233-H284 HydrophobicContact CD2-CB 3.96Å |
| 234 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.6 | 177.8 | -61.8 | 175.4 | 0 | 0 | 0 | 107.9 | F211 N240 L258 V262 C265 I283 | F211-I234 HydrophobicContact CD1-CD1 3.88Å; F211-I234 HydrophobicContact CE1-CD1 3.55Å; F211-I234 HydrophobicContact CE1-CG1 4.16Å; F211-I234 HydrophobicContact CZ-CD1 4.27Å; I234-N240 HydrophobicContact CG2-CB 3.93Å; I234-N240 WeakPolarHBondContact CG2-ND2 3.49Å; I234-L258 HydrophobicContact CD1-CD2 4.49Å; I234-L258 HydrophobicContact CD1-CG 4.21Å; I234-V262 HydrophobicContact CD1-CG1 4.35Å; I234-V262 HydrophobicContact CD1-CG2 3.92Å; I234-V262 HydrophobicContact CG1-CG2 4.02Å; I234-V262 HydrophobicContact CG2-CB 4.4Å; I234-V262 HydrophobicContact CG2-CG1 3.91Å; I234-V262 HydrophobicContact CG2-CG2 4.14Å; I234-C265 HydrophobicContact CG1-CB 4.18Å; I234-I283 HydrophobicContact CB-CB 4.11Å; I234-I283 WeakPolarHBondContact CB-O 3.42Å; I234-I283 HydrophobicContact CG2-CB 4.41Å; I234-I283 HydrophobicContact CG2-CD1 4.13Å; I234-I283 PolarHBondContact N-O 3.12Å; I234-I283 PolarHBondContact O-N 2.76Å; I234-I283 VanDerWaalsContact O-N 3.16Å |
| 235 | P | 98.5 | Very high | 98 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | trans | -68.9 | 146.5 | -175.1 | 24.6 | -31.8 | 0 | 0 | 0 | 111.6 | F53 T237 N240 W282 | F53-P235 HydrophobicContact CE1-CG 3.93Å; F53-P235 HydrophobicContact CE2-CG 4.29Å; F53-P235 VanDerWaalsContact CZ-CD 3.49Å; F53-P235 HydrophobicContact CZ-CG 3.7Å; P235-T237 HydrophobicContact CB-CG2 4.21Å; P235-T237 HydrophobicContact CG-CG2 4.12Å; P235-T237 PolarHBondContact O-N 2.92Å; P235-N240 VanDerWaalsContact O-CB 3.31Å; P235-N240 WeakPolarHBondContact O-CB 3.43Å; P235-N240 PolarHBondContact O-ND2 2.7Å; P235-W282 VanDerWaalsContact CA-CZ3 3.49Å; P235-W282 HydrophobicContact CB-CE3 4.5Å; P235-W282 HydrophobicContact CB-CH2 3.59Å; P235-W282 HydrophobicContact CB-CZ2 4.06Å; P235-W282 HydrophobicContact CB-CZ3 3.85Å | ||
| 236 | P | 98.2 | Very high | 97.8 | Very high | 24 Ų | 24 | 32.2 Ų | 32.2 | 16% | 0.156 | 18% | 0.183 | C | C | . | . | trans | -77.4 | 46.4 | -176.7 | 33 | -37.2 | 0 | 0 | 0 | 113.8 | L241 G281 W282 M307 | P236-L241 HydrophobicContact CB-CD1 4.06Å; P236-L241 HydrophobicContact CB-CG 4.36Å; P236-L241 WeakPolarHBondContact O-CD1 3.32Å; P236-G281 WeakPolarHBondContact CB-O 3.49Å; P236-W282 HydrophobicContact CG-CG 4.44Å; P236-M307 HydrophobicContact CB-CE 3.77Å; P236-M307 HydrophobicContact CB-SD 4.03Å; P236-M307 HydrophobicContact CG-CE 4.07Å | ||
| 237 | T | 98.2 | Very high | 97.7 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | trans | -62.1 | 160 | 173.9 | 75.4 | 0 | 0 | 0 | 0 | 110.5 | P235 H239 N240 L241 | P235-T237 HydrophobicContact CB-CG2 4.21Å; P235-T237 HydrophobicContact CG-CG2 4.12Å; P235-T237 PolarHBondContact O-N 2.92Å; T237-H239 VanDerWaalsContact C-N 3.27Å; T237-H239 PolarHBondContact O-N 3.38Å; T237-N240 PolarHBondContact O-N 2.86Å; T237-N240 VanDerWaalsContact OG1-CB 3.32Å; T237-N240 WeakPolarHBondContact OG1-CB 3.35Å; T237-N240 PolarHBondContact OG1-N 3.12Å; T237-N240 PolarHBondContact OG1-ND2 3.22Å; T237-N240 PolarHBondContact OG1-OD1 3.14Å; T237-L241 WeakPolarHBondContact O-CB 3.43Å; T237-L241 WeakPolarHBondContact O-CG 3.25Å; T237-L241 PolarHBondContact O-N 2.89Å; T237-L241 VanDerWaalsContact O-N 3.07Å | ||
| 238 | A | 96.8 | Very high | 97.4 | Very high | 71 Ų | 71 | 31.4 Ų | 31.4 | 59% | 0.587 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -56.8 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E242 | A238-E242 PolarHBondContact O-N 3.08Å; A238-E242 VanDerWaalsContact O-N 3.15Å |
| 239 | H | 97.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 36 Ų | 36 | 47% | 0.472 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.3 | -46 | 177.9 | -174.1 | 60 | 0 | 0 | 0 | 112.9 | T237 L241 E242 L243 | T237-H239 VanDerWaalsContact C-N 3.27Å; T237-H239 PolarHBondContact O-N 3.38Å; H239-L241 VanDerWaalsContact C-N 3.32Å; H239-L241 PolarHBondContact O-N 2.99Å; H239-E242 PolarHBondContact O-N 2.82Å; H239-L243 WeakPolarHBondContact NE2-CD1 3.38Å; H239-L243 WeakPolarHBondContact O-CG 3.42Å; H239-L243 PolarHBondContact O-N 2.8Å |
| 240 | N | 98.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | -178.6 | -68.8 | -6.7 | 0 | 0 | 0 | 112.1 | I234 P235 T237 L243 Y244 V262 I283 | I234-N240 HydrophobicContact CG2-CB 3.93Å; I234-N240 WeakPolarHBondContact CG2-ND2 3.49Å; P235-N240 VanDerWaalsContact O-CB 3.31Å; P235-N240 WeakPolarHBondContact O-CB 3.43Å; P235-N240 PolarHBondContact O-ND2 2.7Å; T237-N240 PolarHBondContact O-N 2.86Å; T237-N240 VanDerWaalsContact OG1-CB 3.32Å; T237-N240 WeakPolarHBondContact OG1-CB 3.35Å; T237-N240 PolarHBondContact OG1-N 3.12Å; T237-N240 PolarHBondContact OG1-ND2 3.22Å; T237-N240 PolarHBondContact OG1-OD1 3.14Å; N240-L243 PolarHBondContact O-N 3.15Å; N240-Y244 VanDerWaalsContact O-CB 3.3Å; N240-Y244 WeakPolarHBondContact O-CB 3.19Å; N240-Y244 PolarHBondContact O-N 2.86Å; N240-V262 HydrophobicContact CB-CG1 4.46Å; N240-V262 WeakPolarHBondContact OD1-CG1 3.29Å; N240-I283 HydrophobicContact CB-CD1 4.06Å; N240-I283 WeakPolarHBondContact O-CD1 3.39Å |
| 241 | L | 98.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.6 | -33.5 | 175.3 | -72.1 | 168.9 | 0 | 0 | 0 | 112.6 | P236 T237 H239 E245 I283 M307 K310 I311 I314 | P236-L241 HydrophobicContact CB-CD1 4.06Å; P236-L241 HydrophobicContact CB-CG 4.36Å; P236-L241 WeakPolarHBondContact O-CD1 3.32Å; T237-L241 WeakPolarHBondContact O-CB 3.43Å; T237-L241 WeakPolarHBondContact O-CG 3.25Å; T237-L241 PolarHBondContact O-N 2.89Å; T237-L241 VanDerWaalsContact O-N 3.07Å; H239-L241 VanDerWaalsContact C-N 3.32Å; H239-L241 PolarHBondContact O-N 2.99Å; L241-E245 WeakPolarHBondContact O-CB 3.43Å; L241-E245 PolarHBondContact O-N 2.85Å; L241-I283 HydrophobicContact CD2-CD1 4.06Å; L241-I283 HydrophobicContact CD2-CG1 4.17Å; L241-M307 HydrophobicContact CD1-CE 4.19Å; L241-M307 HydrophobicContact CD1-SD 3.75Å; L241-K310 HydrophobicContact CD1-CD 3.82Å; L241-I311 HydrophobicContact CD1-CD1 4.46Å; L241-I311 HydrophobicContact CD2-CD1 3.66Å; L241-I314 HydrophobicContact CB-CD1 4.28Å; L241-I314 HydrophobicContact CD2-CD1 4.07Å |
| 242 | E | 97.4 | Very high | 95 | Very high | 116 Ų | 116 | 46.2 Ų | 46.2 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 171.1 | 177.4 | 174.7 | -148.4 | 0 | 0 | 111.7 | A238 H239 Y244 E245 N246 | A238-E242 PolarHBondContact O-N 3.08Å; A238-E242 VanDerWaalsContact O-N 3.15Å; H239-E242 PolarHBondContact O-N 2.82Å; E242-Y244 VanDerWaalsContact C-N 3.33Å; E242-Y244 PolarHBondContact O-N 3.35Å; E242-E245 PolarHBondContact O-N 2.97Å; E242-N246 WeakPolarHBondContact CG-ND2 3.34Å; E242-N246 WeakPolarHBondContact O-CB 3.24Å; E242-N246 PolarHBondContact O-N 3Å; E242-N246 PolarHBondContact O-ND2 2.95Å |
| 243 | L | 97.1 | Very high | 94.2 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 173 | -73.5 | 175.9 | 0 | 0 | 0 | 111.6 | H239 N240 W247 R261 V262 | H239-L243 WeakPolarHBondContact NE2-CD1 3.38Å; H239-L243 WeakPolarHBondContact O-CG 3.42Å; H239-L243 PolarHBondContact O-N 2.8Å; N240-L243 PolarHBondContact O-N 3.15Å; L243-W247 WeakPolarHBondContact O-CB 3.4Å; L243-W247 PolarHBondContact O-N 2.92Å; L243-R261 WeakPolarHBondContact CD1-O 3.41Å; L243-V262 HydrophobicContact CD1-CG1 3.98Å |
| 244 | Y | 97.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 7% | 0.071 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 176.7 | 172.5 | -112.3 | 0 | 0 | 0 | 112.5 | H212 V213 N240 E242 N246 W247 L248 L258 I283 | H212-Y244 WeakPolarHBondContact CA-OH 3.27Å; V213-Y244 HydrophobicContact CB-CE1 4.17Å; V213-Y244 HydrophobicContact CG2-CD1 4.11Å; V213-Y244 HydrophobicContact CG2-CE1 3.63Å; V213-Y244 PolarHBondContact N-OH 2.74Å; V213-Y244 VanDerWaalsContact N-OH 3.09Å; N240-Y244 VanDerWaalsContact O-CB 3.3Å; N240-Y244 WeakPolarHBondContact O-CB 3.19Å; N240-Y244 PolarHBondContact O-N 2.86Å; E242-Y244 VanDerWaalsContact C-N 3.33Å; E242-Y244 PolarHBondContact O-N 3.35Å; Y244-N246 PolarHBondContact O-N 3.49Å; Y244-W247 HydrophobicContact CD2-CE3 4.08Å; Y244-W247 HydrophobicContact CD2-CZ3 4.32Å; Y244-W247 HydrophobicContact CE2-CE3 4.25Å; Y244-W247 HydrophobicContact CE2-CZ3 4.08Å; Y244-W247 PolarHBondContact O-N 3.47Å; Y244-L248 HydrophobicContact CD1-CD1 4.22Å; Y244-L248 HydrophobicContact CD2-CG 4.37Å; Y244-L248 HydrophobicContact CE1-CD1 3.65Å; Y244-L248 HydrophobicContact CE1-CG 4.41Å; Y244-L248 HydrophobicContact CE2-CD1 4.07Å; Y244-L248 HydrophobicContact CE2-CD2 4.19Å; Y244-L248 HydrophobicContact CE2-CG 4Å; Y244-L248 WeakPolarHBondContact O-CG 3.43Å; Y244-L248 PolarHBondContact O-N 3.17Å; Y244-L258 HydrophobicContact CD2-CD2 3.83Å; Y244-I283 HydrophobicContact CD1-CG1 4.34Å; Y244-I283 HydrophobicContact CD2-CG1 4.42Å; Y244-I283 HydrophobicContact CD2-CG2 3.78Å; Y244-I283 HydrophobicContact CE2-CG2 4.18Å; Y244-I283 HydrophobicContact CG-CD1 4.19Å; Y244-I283 HydrophobicContact CG-CG1 4.08Å; Y244-I283 HydrophobicContact CG-CG2 4.26Å |
| 245 | E | 96.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.5 | -180 | 166.5 | -177.2 | 0 | 0 | 111.7 | L241 E242 L248 L249 I314 R317 T318 | L241-E245 WeakPolarHBondContact O-CB 3.43Å; L241-E245 PolarHBondContact O-N 2.85Å; E242-E245 PolarHBondContact O-N 2.97Å; E245-L248 PolarHBondContact O-N 3.1Å; E245-L249 HydrophobicContact CG-CD1 3.98Å; E245-L249 HydrophobicContact CG-CG 4.47Å; E245-L249 WeakPolarHBondContact O-CB 3.34Å; E245-L249 VanDerWaalsContact O-CG 3.28Å; E245-L249 WeakPolarHBondContact O-CG 3.4Å; E245-L249 PolarHBondContact O-N 3.24Å; E245-I314 HydrophobicContact CB-CG2 4.25Å; E245-I314 HydrophobicContact CG-CG2 4.33Å; E245-R317 VanDerWaalsContact CD-NE 3.34Å; E245-R317 WeakPolarHBondContact OE1-CB 3.41Å; E245-R317 WeakPolarHBondContact OE1-CD 3.38Å; E245-R317 IonicContact OE1-CZ 3.63Å; E245-R317 IonicContact OE1-NE 3.89Å; E245-R317 PolarHBondContact OE1-NE 2.66Å; E245-R317 IonicContact OE1-NH2 2.87Å; E245-R317 IonicContact OE2-CZ 3.8Å; E245-R317 VanDerWaalsContact OE2-CZ 3.3Å; E245-R317 IonicContact OE2-NE 2.81Å; E245-R317 PolarHBondContact OE2-NE 2.8Å; E245-R317 VanDerWaalsContact OE2-NE 3.1Å; E245-R317 IonicContact OE2-NH2 2.81Å; E245-R317 PolarHBondContact OE2-NH2 3.48Å; E245-T318 HydrophobicContact CG-CG2 3.92Å |
| 246 | N | 94.8 | Very high | 92.4 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 175.8 | -76.2 | -55.8 | 0 | 0 | 0 | 112.4 | E242 Y244 L249 S250 | E242-N246 WeakPolarHBondContact CG-ND2 3.34Å; E242-N246 WeakPolarHBondContact O-CB 3.24Å; E242-N246 PolarHBondContact O-N 3Å; E242-N246 PolarHBondContact O-ND2 2.95Å; Y244-N246 PolarHBondContact O-N 3.49Å; N246-L249 PolarHBondContact O-N 3.01Å; N246-S250 WeakPolarHBondContact O-CB 3.34Å; N246-S250 PolarHBondContact O-N 2.93Å |
| 247 | W | 95.1 | Very high | 92.2 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 5% | 0.045 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 173.8 | 174.5 | 90 | 0 | 0 | 0 | 111.5 | F211 L243 Y244 L249 S250 Q253 I256 L258 | F211-W247 HydrophobicContact CB-CH2 4Å; F211-W247 HydrophobicContact CB-CZ2 4.46Å; F211-W247 HydrophobicContact CB-CZ3 4.33Å; F211-W247 WeakPolarHBondContact O-CH2 3.41Å; F211-W247 VanDerWaalsContact O-CZ3 3.23Å; F211-W247 WeakPolarHBondContact O-CZ3 3.48Å; L243-W247 WeakPolarHBondContact O-CB 3.4Å; L243-W247 PolarHBondContact O-N 2.92Å; Y244-W247 HydrophobicContact CD2-CE3 4.08Å; Y244-W247 HydrophobicContact CD2-CZ3 4.32Å; Y244-W247 HydrophobicContact CE2-CE3 4.25Å; Y244-W247 HydrophobicContact CE2-CZ3 4.08Å; Y244-W247 PolarHBondContact O-N 3.47Å; W247-L249 PolarHBondContact O-N 3.36Å; W247-S250 PolarHBondContact O-N 3.15Å; W247-S250 PolarHBondContact O-OG 3.2Å; W247-Q253 HydrophobicContact CD2-CG 4.14Å; W247-Q253 HydrophobicContact CE3-CG 4.2Å; W247-Q253 HydrophobicContact CH2-CB 3.96Å; W247-Q253 HydrophobicContact CH2-CG 3.8Å; W247-Q253 HydrophobicContact CZ2-CB 3.6Å; W247-Q253 HydrophobicContact CZ2-CG 3.73Å; W247-Q253 HydrophobicContact CZ3-CG 4.03Å; W247-I256 PolarHBondContact NE1-O 3.11Å; W247-L258 HydrophobicContact CB-CD1 4.01Å; W247-L258 HydrophobicContact CD2-CD1 4.48Å; W247-L258 HydrophobicContact CD2-CD2 4.44Å; W247-L258 HydrophobicContact CE3-CD2 4.44Å; W247-L258 HydrophobicContact CG-CD1 3.97Å |
| 248 | L | 92.1 | Very high | 92.1 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 173.4 | -75.8 | 179.6 | 0 | 0 | 0 | 111.8 | Y244 E245 S250 G251 T318 | Y244-L248 HydrophobicContact CD1-CD1 4.22Å; Y244-L248 HydrophobicContact CD2-CG 4.37Å; Y244-L248 HydrophobicContact CE1-CD1 3.65Å; Y244-L248 HydrophobicContact CE1-CG 4.41Å; Y244-L248 HydrophobicContact CE2-CD1 4.07Å; Y244-L248 HydrophobicContact CE2-CD2 4.19Å; Y244-L248 HydrophobicContact CE2-CG 4Å; Y244-L248 WeakPolarHBondContact O-CG 3.43Å; Y244-L248 PolarHBondContact O-N 3.17Å; E245-L248 PolarHBondContact O-N 3.1Å; L248-S250 VanDerWaalsContact C-N 3.3Å; L248-S250 PolarHBondContact O-N 3.2Å; L248-G251 PolarHBondContact O-N 2.83Å; L248-T318 HydrophobicContact CB-CG2 4.12Å; L248-T318 HydrophobicContact CD1-CG2 3.89Å |
| 249 | L | 91.3 | Very high | 92.1 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 53% | 0.534 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.8 | -27 | -179.3 | -70 | 172.1 | 0 | 0 | 0 | 113.3 | E245 N246 W247 G251 T318 | E245-L249 HydrophobicContact CG-CD1 3.98Å; E245-L249 HydrophobicContact CG-CG 4.47Å; E245-L249 WeakPolarHBondContact O-CB 3.34Å; E245-L249 VanDerWaalsContact O-CG 3.28Å; E245-L249 WeakPolarHBondContact O-CG 3.4Å; E245-L249 PolarHBondContact O-N 3.24Å; N246-L249 PolarHBondContact O-N 3.01Å; W247-L249 PolarHBondContact O-N 3.36Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 3.15Å; L249-T318 HydrophobicContact CD2-CG2 4.3Å; L249-T318 HydrophobicContact CG-CG2 4.29Å |
| 250 | S | 90 | Very high | 92 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.4 | -27.4 | 179.4 | 79.5 | 0 | 0 | 0 | 0 | 113.9 | N246 W247 L248 K252 | N246-S250 WeakPolarHBondContact O-CB 3.34Å; N246-S250 PolarHBondContact O-N 2.93Å; W247-S250 PolarHBondContact O-N 3.15Å; W247-S250 PolarHBondContact O-OG 3.2Å; L248-S250 VanDerWaalsContact C-N 3.3Å; L248-S250 PolarHBondContact O-N 3.2Å; S250-K252 PolarHBondContact O-N 2.84Å; S250-K252 PolarHBondContact OG-N 3.35Å; S250-K252 VanDerWaalsContact OG-N 3.08Å |
| 251 | G | 80 | Confident | 91.9 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | trans | 70.1 | -3.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L248 L249 Q253 | L248-G251 PolarHBondContact O-N 2.83Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 3.15Å; G251-Q253 PolarHBondContact O-N 3.43Å; G251-Q253 VanDerWaalsContact O-N 3.14Å | ||
| 252 | K | 80.8 | Confident | 91.8 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | trans | -86.6 | 36.2 | -177.1 | -63.7 | -166 | 177.9 | -171.3 | 0 | 113.7 | S250 G254 D255 I256 | S250-K252 PolarHBondContact O-N 2.84Å; S250-K252 PolarHBondContact OG-N 3.35Å; S250-K252 VanDerWaalsContact OG-N 3.08Å; K252-G254 PolarHBondContact O-N 3.46Å; K252-D255 HydrophobicContact CB-CB 4.21Å; K252-D255 WeakPolarHBondContact CB-OD2 3.24Å; K252-D255 WeakPolarHBondContact O-CB 3.32Å; K252-D255 PolarHBondContact O-N 3.29Å; K252-D255 VanDerWaalsContact O-N 3.1Å; K252-I256 HydrophobicContact CB-CD1 4.32Å; K252-I256 PolarHBondContact O-N 2.89Å | ||
| 253 | Q | 81.8 | Confident | 91.7 | Very high | 67 Ų | 67 | 55 Ų | 55 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -45.6 | -171.2 | -64.5 | 168.9 | 2.6 | 0 | 0 | 111.4 | W247 G251 D255 I256 | W247-Q253 HydrophobicContact CD2-CG 4.14Å; W247-Q253 HydrophobicContact CE3-CG 4.2Å; W247-Q253 HydrophobicContact CH2-CB 3.96Å; W247-Q253 HydrophobicContact CH2-CG 3.8Å; W247-Q253 HydrophobicContact CZ2-CB 3.6Å; W247-Q253 HydrophobicContact CZ2-CG 3.73Å; W247-Q253 HydrophobicContact CZ3-CG 4.03Å; G251-Q253 PolarHBondContact O-N 3.43Å; G251-Q253 VanDerWaalsContact O-N 3.14Å; Q253-D255 PolarHBondContact O-N 3.44Å; Q253-I256 PolarHBondContact O-N 2.77Å |
| 254 | G | 79.4 | Confident | 91.6 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R36 T37 F38 K252 | R36-G254 WeakPolarHBondContact CA-O 3.38Å; T37-G254 PolarHBondContact N-O 2.88Å; F38-G254 WeakPolarHBondContact CD1-O 3.5Å; K252-G254 PolarHBondContact O-N 3.46Å |
| 255 | D | 86.8 | Confident | 91.7 | Very high | 78 Ų | 78 | 57 Ų | 57 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -33 | 179.7 | -55.4 | -19.4 | 0 | 0 | 0 | 111.9 | T37 K252 Q253 | T37-D255 WeakPolarHBondContact OG1-CA 3.43Å; T37-D255 PolarHBondContact OG1-O 2.85Å; K252-D255 HydrophobicContact CB-CB 4.21Å; K252-D255 WeakPolarHBondContact CB-OD2 3.24Å; K252-D255 WeakPolarHBondContact O-CB 3.32Å; K252-D255 PolarHBondContact O-N 3.29Å; K252-D255 VanDerWaalsContact O-N 3.1Å; Q253-D255 PolarHBondContact O-N 3.44Å |
| 256 | I | 91.6 | Very high | 91.7 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | trans | -123.7 | 107.4 | -166 | -58.2 | 172.7 | 0 | 0 | 0 | 110.4 | W247 K252 Q253 L258 R261 | W247-I256 PolarHBondContact NE1-O 3.11Å; K252-I256 HydrophobicContact CB-CD1 4.32Å; K252-I256 PolarHBondContact O-N 2.89Å; Q253-I256 PolarHBondContact O-N 2.77Å; I256-L258 PolarHBondContact O-N 2.85Å; I256-R261 HydrophobicContact CG2-CG 3.52Å | ||
| 257 | F | 95.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | trans | -67.2 | 110.8 | 166.8 | -170 | -98.2 | 0 | 0 | 0 | 109.8 | F38 K43 Y49 Y208 F211 W232 G259 D260 | F38-F257 HydrophobicContact CB-CB 4.38Å; F38-F257 HydrophobicContact CD1-CB 4.08Å; F38-F257 HydrophobicContact CD2-CB 3.98Å; F38-F257 AromaticContact CD2-CD2 3.85Å; F38-F257 HydrophobicContact CD2-CD2 3.85Å; F38-F257 HydrophobicContact CD2-CG 4.32Å; F38-F257 HydrophobicContact CE1-CB 4.28Å; F38-F257 HydrophobicContact CE2-CB 4.21Å; F38-F257 AromaticContact CE2-CD2 3.42Å; F38-F257 HydrophobicContact CE2-CD2 3.42Å; F38-F257 VanDerWaalsContact CE2-CD2 3.42Å; F38-F257 HydrophobicContact CE2-CE2 4.24Å; F38-F257 HydrophobicContact CE2-CG 4.27Å; F38-F257 HydrophobicContact CG-CB 3.91Å; F38-F257 HydrophobicContact CZ-CB 4.34Å; F38-F257 AromaticContact CZ-CD2 3.81Å; F38-F257 HydrophobicContact CZ-CD2 3.81Å; K43-F257 HydrophobicContact CB-CE1 4.48Å; K43-F257 HydrophobicContact CB-CE2 4.2Å; K43-F257 HydrophobicContact CB-CZ 4.11Å; K43-F257 HydrophobicContact CG-CD1 3.98Å; K43-F257 HydrophobicContact CG-CD2 3.83Å; K43-F257 HydrophobicContact CG-CE1 4.02Å; K43-F257 HydrophobicContact CG-CE2 3.85Å; K43-F257 HydrophobicContact CG-CG 3.89Å; K43-F257 HydrophobicContact CG-CZ 3.94Å; Y49-F257 AromaticContact CE1-CE1 3.95Å; Y49-F257 HydrophobicContact CE1-CE1 3.95Å; Y49-F257 HydrophobicContact CE2-CE1 4.17Å; Y49-F257 AromaticContact CZ-CE1 3.48Å; Y49-F257 VanDerWaalsContact CZ-CE1 3.48Å; Y49-F257 VanDerWaalsContact OH-CD1 3.31Å; Y49-F257 WeakPolarHBondContact OH-CD1 3.31Å; Y49-F257 WeakPolarHBondContact OH-CE1 3.41Å; Y208-F257 HydrophobicContact CE2-CE2 4.46Å; F211-F257 HydrophobicContact CE2-CD1 4.01Å; F211-F257 AromaticContact CE2-CD2 3.68Å; F211-F257 HydrophobicContact CE2-CD2 3.68Å; F211-F257 AromaticContact CE2-CE1 3.8Å; F211-F257 HydrophobicContact CE2-CE1 3.8Å; F211-F257 AromaticContact CE2-CE2 3.49Å; F211-F257 HydrophobicContact CE2-CE2 3.49Å; F211-F257 VanDerWaalsContact CE2-CE2 3.49Å; F211-F257 AromaticContact CE2-CG 3.96Å; F211-F257 HydrophobicContact CE2-CG 3.96Å; F211-F257 AromaticContact CE2-CZ 3.54Å; F211-F257 HydrophobicContact CE2-CZ 3.54Å; F211-F257 HydrophobicContact CZ-CD1 4.3Å; F211-F257 HydrophobicContact CZ-CD2 4.49Å; F211-F257 AromaticContact CZ-CE1 3.7Å; F211-F257 HydrophobicContact CZ-CE1 3.7Å; F211-F257 AromaticContact CZ-CE2 3.96Å; F211-F257 HydrophobicContact CZ-CE2 3.96Å; F211-F257 AromaticContact CZ-CZ 3.52Å; F211-F257 HydrophobicContact CZ-CZ 3.52Å; W232-F257 AromaticContact CD1-CZ 3.69Å; W232-F257 AromaticContact CD2-CZ 3.85Å; W232-F257 HydrophobicContact CD2-CZ 3.85Å; W232-F257 AromaticContact CE2-CZ 3.73Å; W232-F257 AromaticContact CG-CZ 3.83Å; W232-F257 HydrophobicContact CG-CZ 3.83Å; W232-F257 HydrophobicContact CZ2-CZ 4.35Å; W232-F257 AromaticContact NE1-CZ 3.61Å; F257-G259 PolarHBondContact O-N 2.79Å; F257-D260 HydrophobicContact CD1-CB 4.5Å; F257-D260 PolarHBondContact O-N 3.43Å | ||
| 258 | L | 96.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -64 | -27.9 | -171.2 | -170.4 | 63.9 | 0 | 0 | 0 | 113.3 | F211 I234 Y244 W247 I256 D260 R261 I283 | F211-L258 HydrophobicContact CB-CB 4.07Å; F211-L258 HydrophobicContact CB-CD2 3.97Å; F211-L258 HydrophobicContact CD1-CB 4.28Å; F211-L258 HydrophobicContact CD2-CB 3.57Å; F211-L258 HydrophobicContact CE2-CB 4.01Å; F211-L258 HydrophobicContact CG-CB 3.7Å; F211-L258 HydrophobicContact CG-CD2 4.25Å; I234-L258 HydrophobicContact CD1-CD2 4.49Å; I234-L258 HydrophobicContact CD1-CG 4.21Å; Y244-L258 HydrophobicContact CD2-CD2 3.83Å; W247-L258 HydrophobicContact CB-CD1 4.01Å; W247-L258 HydrophobicContact CD2-CD1 4.48Å; W247-L258 HydrophobicContact CD2-CD2 4.44Å; W247-L258 HydrophobicContact CE3-CD2 4.44Å; W247-L258 HydrophobicContact CG-CD1 3.97Å; I256-L258 PolarHBondContact O-N 2.85Å; L258-D260 PolarHBondContact O-N 3.37Å; L258-R261 HydrophobicContact CD1-CB 4.23Å; L258-R261 WeakPolarHBondContact O-CB 3.38Å; L258-R261 PolarHBondContact O-N 3.03Å; L258-I283 HydrophobicContact CD2-CG2 3.83Å |
| 259 | G | 96.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 58 Ų | 58 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -63.5 | -13.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115 | F257 | F257-G259 PolarHBondContact O-N 2.79Š|
| 260 | D | 96 | Very high | 92.7 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -95 | 9.1 | 172.5 | -71.4 | 8.4 | 0 | 0 | 0 | 112.1 | K43 K48 Y49 F257 L258 | K43-D260 WeakPolarHBondContact CE-OD2 3.15Å; K43-D260 IonicContact NZ-OD2 2.79Å; K43-D260 PolarHBondContact NZ-OD2 3.21Å; K48-D260 WeakPolarHBondContact CE-OD1 3.49Å; K48-D260 IonicContact NZ-OD1 2.84Å; K48-D260 PolarHBondContact NZ-OD1 3.45Å; K48-D260 IonicContact NZ-OD2 3.58Å; K48-D260 PolarHBondContact NZ-OD2 3.47Å; Y49-D260 VanDerWaalsContact CE1-OD1 3.31Å; Y49-D260 WeakPolarHBondContact CE1-OD1 3.46Å; Y49-D260 VanDerWaalsContact CZ-OD1 3.31Å; Y49-D260 PolarHBondContact OH-OD1 3.36Å; F257-D260 HydrophobicContact CD1-CB 4.5Å; F257-D260 PolarHBondContact O-N 3.43Å; L258-D260 PolarHBondContact O-N 3.37Å |
| 261 | R | 95.2 | Very high | 93 | Very high | 155 Ų | 155 | 55 Ų | 55 | 59% | 0.585 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -119.2 | -6.7 | -176.1 | -60 | -63.2 | -61.2 | 174.1 | 1.9 | 114.3 | L243 I256 L258 | L243-R261 WeakPolarHBondContact CD1-O 3.41Å; I256-R261 HydrophobicContact CG2-CG 3.52Å; L258-R261 HydrophobicContact CD1-CB 4.23Å; L258-R261 WeakPolarHBondContact O-CB 3.38Å; L258-R261 PolarHBondContact O-N 3.03Å |
| 262 | V | 96.7 | Very high | 93.9 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -112.4 | 156.2 | 179.1 | -63.5 | 0 | 0 | 0 | 0 | 109.7 | I234 N240 L243 C265 | I234-V262 HydrophobicContact CD1-CG1 4.35Å; I234-V262 HydrophobicContact CD1-CG2 3.92Å; I234-V262 HydrophobicContact CG1-CG2 4.02Å; I234-V262 HydrophobicContact CG2-CB 4.4Å; I234-V262 HydrophobicContact CG2-CG1 3.91Å; I234-V262 HydrophobicContact CG2-CG2 4.14Å; N240-V262 HydrophobicContact CB-CG1 4.46Å; N240-V262 WeakPolarHBondContact OD1-CG1 3.29Å; L243-V262 HydrophobicContact CD1-CG1 3.98Å; V262-C265 HydrophobicContact CG2-CB 4.08Å |
| 263 | S | 94.6 | Very high | 94.7 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 76% | 0.755 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -60.1 | -47.4 | 177.2 | -45.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 264 | D | 96.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | trans | -129.2 | 125.7 | -170.6 | -59.8 | -85.7 | 0 | 0 | 0 | 110.8 | A51 F53 | A51-D264 HydrophobicContact CB-CB 4.08Å; F53-D264 HydrophobicContact CE1-CB 4.42Å; F53-D264 HydrophobicContact CZ-CB 3.71Å | ||
| 265 | C | 98.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | trans | -140.5 | 136 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | Y49 A51 L233 I234 V262 | Y49-C265 CarbonylContact C-O 3.59Å; Y49-C265 WeakPolarHBondContact CA-O 3.46Å; Y49-C265 WeakPolarHBondContact CB-O 3.41Å; Y49-C265 HydrophobicContact CD1-CB 4.06Å; A51-C265 PolarHBondContact N-O 2.88Å; L233-C265 WeakPolarHBondContact O-CA 3.43Å; L233-C265 PolarHBondContact O-SG 2.72Å; L233-C265 VanDerWaalsContact O-SG 3.35Å; I234-C265 HydrophobicContact CG1-CB 4.18Å; V262-C265 HydrophobicContact CG2-CB 4.08Å | ||
| 266 | Q | 98.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.1 | 175.5 | -179 | 167.3 | 33.9 | 0 | 0 | 109.7 | A51 F53 V54 W232 L233 I268 | A51-Q266 HydrophobicContact CB-CB 4.3Å; A51-Q266 WeakPolarHBondContact O-CB 3.49Å; A51-Q266 WeakPolarHBondContact O-CG 3.1Å; A51-Q266 PolarHBondContact O-NE2 2.94Å; A51-Q266 VanDerWaalsContact O-NE2 3.13Å; F53-Q266 HydrophobicContact CD2-CB 3.61Å; F53-Q266 HydrophobicContact CE2-CB 4.04Å; V54-Q266 VanDerWaalsContact CG2-OE1 3.27Å; W232-Q266 CarbonylContact C-O 3.48Å; W232-Q266 WeakPolarHBondContact CA-O 3.4Å; L233-Q266 HydrophobicContact CB-CB 4.43Å; L233-Q266 PolarHBondContact N-O 2.69Å; L233-Q266 PolarHBondContact O-N 2.82Å; Q266-I268 HydrophobicContact CG-CB 4.46Å |
| 267 | R | 98.4 | Very high | 97.3 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 21% | 0.211 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.4 | 163.1 | -171 | -174.4 | 66.4 | -126 | -10.8 | 109.6 | K43 L44 T46 Y49 V230 F231 W232 | K43-R267 PolarHBondContact O-NH1 2.97Å; L44-R267 VanDerWaalsContact C-NH1 3.34Å; L44-R267 PolarHBondContact O-NE 3Å; L44-R267 PolarHBondContact O-NH1 3.29Å; L44-R267 PolarHBondContact O-NH2 3.33Å; T46-R267 VanDerWaalsContact O-CZ 3.22Å; T46-R267 PolarHBondContact O-NH1 2.94Å; T46-R267 PolarHBondContact O-NH2 3.17Å; Y49-R267 HydrophobicContact CD2-CB 4.14Å; Y49-R267 HydrophobicContact CG-CB 4.33Å; Y49-R267 PolarHBondContact O-N 2.88Å; V230-R267 HydrophobicContact CG1-CG 3.53Å; F231-R267 CarbonylContact O-C 3.58Å; F231-R267 VanDerWaalsContact O-CA 3.28Å; F231-R267 WeakPolarHBondContact O-CA 3.43Å; W232-R267 HydrophobicContact CD2-CG 4.28Å; W232-R267 HydrophobicContact CG-CB 4.43Å; W232-R267 HydrophobicContact CG-CG 4.3Å |
| 268 | I | 98.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.7 | -178.8 | -163.3 | 160.3 | 0 | 0 | 0 | 112.8 | V54 F56 I77 V230 F231 L233 Q266 | V54-I268 HydrophobicContact CB-CD1 3.81Å; V54-I268 HydrophobicContact CG1-CD1 3.83Å; V54-I268 HydrophobicContact CG2-CD1 3.79Å; V54-I268 HydrophobicContact CG2-CG2 4.41Å; F56-I268 HydrophobicContact CZ-CD1 4.03Å; I77-I268 HydrophobicContact CD1-CD1 3.5Å; I77-I268 HydrophobicContact CD1-CG1 4.07Å; V230-I268 CarbonylContact C-O 3.57Å; V230-I268 WeakPolarHBondContact CA-O 3.42Å; F231-I268 HydrophobicContact CB-CG2 4.08Å; F231-I268 PolarHBondContact N-O 3.4Å; F231-I268 PolarHBondContact O-N 2.87Å; L233-I268 HydrophobicContact CD1-CG2 3.99Å; Q266-I268 HydrophobicContact CG-CB 4.46Å |
| 269 | E | 98.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.5 | 179.6 | -167.9 | -163.7 | 167.2 | 0 | 0 | 110.5 | K229 V230 K271 | K229-E269 CarbonylContact O-C 3.52Å; K229-E269 WeakPolarHBondContact O-CA 2.9Å; V230-E269 HydrophobicContact CG2-CG 4.45Å; E269-K271 WeakPolarHBondContact OE1-CE 3.24Å; E269-K271 IonicContact OE1-NZ 3.96Å; E269-K271 WeakPolarHBondContact OE2-CE 3.33Å; E269-K271 IonicContact OE2-NZ 2.97Å; E269-K271 PolarHBondContact OE2-NZ 3.19Å |
| 270 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127 | 169.3 | -52.7 | -174.4 | 0 | 0 | 0 | 109.8 | I77 Y222 I224 G228 K229 F231 F276 | I77-L270 HydrophobicContact CD1-CD2 3.36Å; I77-L270 HydrophobicContact CG1-CD2 3.88Å; Y222-L270 HydrophobicContact CD1-CD1 4.25Å; I224-L270 HydrophobicContact CD1-CB 4.11Å; I224-L270 HydrophobicContact CD1-CD1 4.17Å; I224-L270 HydrophobicContact CG1-CB 3.81Å; I224-L270 HydrophobicContact CG1-CD1 4.45Å; G228-L270 CarbonylContact C-O 3.52Å; G228-L270 VanDerWaalsContact CA-O 3.25Å; G228-L270 WeakPolarHBondContact CA-O 3.39Å; K229-L270 HydrophobicContact CB-CB 4.35Å; K229-L270 PolarHBondContact N-O 3.05Å; K229-L270 PolarHBondContact O-N 2.91Å; F231-L270 HydrophobicContact CD2-CD1 3.73Å; F231-L270 HydrophobicContact CD2-CG 4.01Å; F231-L270 HydrophobicContact CE2-CD1 3.44Å; F231-L270 VanDerWaalsContact CE2-CD1 3.44Å; F231-L270 HydrophobicContact CE2-CG 4.19Å; F231-L270 HydrophobicContact CZ-CD1 4.28Å; L270-F276 HydrophobicContact CD1-CB 3.61Å; L270-F276 HydrophobicContact CD1-CD1 3.67Å; L270-F276 HydrophobicContact CD1-CG 3.86Å; L270-F276 HydrophobicContact CD2-CB 4.01Å; L270-F276 HydrophobicContact CD2-CD1 4.37Å; L270-F276 HydrophobicContact CD2-CD2 4.33Å; L270-F276 HydrophobicContact CD2-CG 4.01Å; L270-F276 HydrophobicContact CG-CB 4.49Å |
| 271 | K | 97.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 41 Ų | 41 | 43% | 0.43 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 163.4 | -179.4 | -66.6 | 179.9 | 175.5 | 171.5 | 0 | 110.9 | I224 E269 G273 Y274 | I224-K271 WeakPolarHBondContact CB-O 3.39Å; E269-K271 WeakPolarHBondContact OE1-CE 3.24Å; E269-K271 IonicContact OE1-NZ 3.96Å; E269-K271 WeakPolarHBondContact OE2-CE 3.33Å; E269-K271 IonicContact OE2-NZ 2.97Å; E269-K271 PolarHBondContact OE2-NZ 3.19Å; K271-G273 PolarHBondContact O-N 3.25Å; K271-Y274 HydrophobicContact CB-CD1 4.21Å; K271-Y274 HydrophobicContact CB-CD2 4.44Å; K271-Y274 HydrophobicContact CB-CE1 4.09Å; K271-Y274 HydrophobicContact CB-CE2 4.33Å; K271-Y274 HydrophobicContact CB-CG 4.4Å; K271-Y274 WeakPolarHBondContact O-CB 3.41Å; K271-Y274 PolarHBondContact O-N 3.22Å |
| 272 | Q | 98 | Very high | 97.9 | Very high | 111 Ų | 111 | 34.3 Ų | 34.3 | 52% | 0.519 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 137.4 | 175.2 | -168.2 | 174.5 | 3.1 | 0 | 0 | 111.5 | H225 G227 Y274 | H225-Q272 WeakPolarHBondContact O-CG 3.4Å; H225-Q272 PolarHBondContact O-NE2 3.22Å; G227-Q272 PolarHBondContact O-N 3.17Å; Q272-Y274 VanDerWaalsContact C-N 3.26Å; Q272-Y274 PolarHBondContact O-N 2.75Å |
| 273 | G | 96.6 | Very high | 98 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -16.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | H223 I224 K271 | H223-G273 PolarHBondContact CE1-O 3.23Å; H223-G273 VanDerWaalsContact CE1-O 3.26Å; I224-G273 PolarHBondContact O-N 2.51Å; K271-G273 PolarHBondContact O-N 3.25Å |
| 274 | Y | 98.6 | Very high | 98.2 | Very high | 47 Ų | 47 | 28.6 Ų | 28.6 | 18% | 0.184 | 14% | 0.139 | C | C | . | . | trans | -69.3 | 138 | 179.4 | -73.7 | 18.7 | 0 | 0 | 0 | 110.4 | I77 F78 K79 H223 I224 K271 Q272 | I77-Y274 HydrophobicContact CG2-CD2 3.68Å; I77-Y274 HydrophobicContact CG2-CE2 4.11Å; I77-Y274 HydrophobicContact CG2-CG 4.28Å; F78-Y274 WeakPolarHBondContact O-CA 3.48Å; K79-Y274 HydrophobicContact CB-CD1 4.35Å; K79-Y274 HydrophobicContact CB-CE1 3.88Å; K79-Y274 HydrophobicContact CG-CE1 4.03Å; K79-Y274 HydrophobicContact CG-CE2 4.26Å; K79-Y274 WeakPolarHBondContact O-CD1 3.1Å; H223-Y274 WeakPolarHBondContact CA-O 3.43Å; I224-Y274 PolarHBondContact N-O 2.92Å; K271-Y274 HydrophobicContact CB-CD1 4.21Å; K271-Y274 HydrophobicContact CB-CD2 4.44Å; K271-Y274 HydrophobicContact CB-CE1 4.09Å; K271-Y274 HydrophobicContact CB-CE2 4.33Å; K271-Y274 HydrophobicContact CB-CG 4.4Å; K271-Y274 WeakPolarHBondContact O-CB 3.41Å; K271-Y274 PolarHBondContact O-N 3.22Å; Q272-Y274 VanDerWaalsContact C-N 3.26Å; Q272-Y274 PolarHBondContact O-N 2.75Å | ||
| 275 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.8 | 166.4 | -46.7 | 0 | 0 | 0 | 0 | 108.3 | F78 L84 Y222 H223 | F78-T275 WeakPolarHBondContact CD2-O 3.16Å; F78-T275 PolarHBondContact N-O 3.3Å; F78-T275 PolarHBondContact O-N 3.14Å; L84-T275 HydrophobicContact CD1-CG2 4.02Å; Y222-T275 CarbonylContact O-C 3.56Å; Y222-T275 WeakPolarHBondContact O-CA 3.45Å; H223-T275 HydrophobicContact CB-CG2 4.42Å; H223-T275 PolarHBondContact ND1-OG1 3.02Å |
| 276 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.5 | 179.7 | -177.3 | -135.7 | 0 | 0 | 0 | 109.7 | V54 P75 L76 I77 W221 Y222 F231 L233 L270 I278 | V54-F276 HydrophobicContact CG2-CE2 4.2Å; P75-F276 HydrophobicContact CB-CE2 3.75Å; P75-F276 HydrophobicContact CB-CZ 4.01Å; L76-F276 CarbonylContact O-C 3.46Å; L76-F276 VanDerWaalsContact O-CA 3.3Å; L76-F276 WeakPolarHBondContact O-CA 3.5Å; L76-F276 VanDerWaalsContact O-CD2 3.31Å; L76-F276 WeakPolarHBondContact O-CD2 3.42Å; I77-F276 HydrophobicContact CD1-CD2 4.3Å; I77-F276 HydrophobicContact CG1-CD2 3.48Å; I77-F276 VanDerWaalsContact CG1-CD2 3.48Å; I77-F276 HydrophobicContact CG1-CE2 4.06Å; I77-F276 HydrophobicContact CG1-CG 4.32Å; W221-F276 CarbonylContact C-O 3.57Å; W221-F276 WeakPolarHBondContact CA-O 3.42Å; Y222-F276 PolarHBondContact N-O 2.59Å; Y222-F276 PolarHBondContact O-N 3.07Å; F231-F276 AromaticContact CD1-CE1 3.86Å; F231-F276 HydrophobicContact CD1-CE1 3.86Å; F231-F276 HydrophobicContact CE1-CD1 4.33Å; F231-F276 HydrophobicContact CE1-CE1 4.04Å; F231-F276 HydrophobicContact CE2-CD1 4.49Å; F231-F276 HydrophobicContact CG-CE1 4.13Å; F231-F276 HydrophobicContact CZ-CD1 4.32Å; F231-F276 HydrophobicContact CZ-CE1 4.45Å; L233-F276 HydrophobicContact CD1-CZ 3.84Å; L233-F276 HydrophobicContact CD2-CE1 4.24Å; L233-F276 HydrophobicContact CD2-CZ 3.92Å; L270-F276 HydrophobicContact CD1-CB 3.61Å; L270-F276 HydrophobicContact CD1-CD1 3.67Å; L270-F276 HydrophobicContact CD1-CG 3.86Å; L270-F276 HydrophobicContact CD2-CB 4.01Å; L270-F276 HydrophobicContact CD2-CD1 4.37Å; L270-F276 HydrophobicContact CD2-CD2 4.33Å; L270-F276 HydrophobicContact CD2-CG 4.01Å; L270-F276 HydrophobicContact CG-CB 4.49Å; F276-I278 HydrophobicContact CD1-CD1 4.04Å; F276-I278 HydrophobicContact CD1-CG1 3.72Å; F276-I278 HydrophobicContact CE1-CD1 3.67Å; F276-I278 HydrophobicContact CE1-CG1 3.32Å; F276-I278 HydrophobicContact CZ-CG1 3.83Å |
| 277 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.8 | 173.7 | 179 | 0 | 0 | 0 | 0 | 108.9 | F62 L72 P75 L76 F78 V220 W221 | F62-V277 HydrophobicContact CZ-CG2 4.44Å; L72-V277 HydrophobicContact CD1-CG1 4.13Å; L72-V277 HydrophobicContact CD2-CG1 4.42Å; P75-V277 WeakPolarHBondContact CA-O 3.17Å; L76-V277 HydrophobicContact CB-CB 4.16Å; L76-V277 HydrophobicContact CD1-CB 4.41Å; L76-V277 HydrophobicContact CG-CB 4.4Å; L76-V277 PolarHBondContact N-O 3.4Å; L76-V277 PolarHBondContact O-N 2.89Å; F78-V277 HydrophobicContact CE2-CG2 3.99Å; V220-V277 CarbonylContact O-C 3.46Å; V220-V277 VanDerWaalsContact O-CA 3.27Å; V220-V277 WeakPolarHBondContact O-CA 3.46Å; W221-V277 HydrophobicContact CB-CG2 4.46Å |
| 278 | I | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.3 | 177.5 | -56 | 171.2 | 0 | 0 | 0 | 107.6 | S219 V220 F231 F276 W282 | S219-I278 CarbonylContact C-O 3.58Å; S219-I278 VanDerWaalsContact CA-O 3.27Å; S219-I278 WeakPolarHBondContact CA-O 3.43Å; S219-I278 WeakPolarHBondContact CB-O 3.29Å; V220-I278 HydrophobicContact CB-CB 4.24Å; V220-I278 PolarHBondContact N-O 3.06Å; V220-I278 PolarHBondContact O-N 3.35Å; F231-I278 HydrophobicContact CD1-CD1 4.32Å; F231-I278 HydrophobicContact CE1-CD1 3.71Å; F276-I278 HydrophobicContact CD1-CD1 4.04Å; F276-I278 HydrophobicContact CD1-CG1 3.72Å; F276-I278 HydrophobicContact CE1-CD1 3.67Å; F276-I278 HydrophobicContact CE1-CG1 3.32Å; F276-I278 HydrophobicContact CZ-CG1 3.83Å; I278-W282 HydrophobicContact CG2-CB 3.78Å |
| 279 | P | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | trans | -73.3 | 157.7 | 176.6 | -18.7 | 32 | 0 | 0 | 0 | 113.3 | L72 R73 D74 G281 W282 | L72-P279 WeakPolarHBondContact O-CB 2.97Å; R73-P279 WeakPolarHBondContact O-CG 3.48Å; D74-P279 WeakPolarHBondContact O-CG 3.34Å; P279-G281 PolarHBondContact O-N 2.87Å; P279-W282 PolarHBondContact O-N 2.86Å | ||
| 280 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.1 | 127.3 | 170.1 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | G217 S219 M307 Q308 | G217-S280 WeakPolarHBondContact O-CA 3.22Å; G217-S280 WeakPolarHBondContact O-CB 3.31Å; G217-S280 PolarHBondContact O-OG 2.88Å; S219-S280 PolarHBondContact OG-N 2.85Å; S280-M307 WeakPolarHBondContact O-CG 3.28Å; S280-Q308 WeakPolarHBondContact OG-CG 3.45Å; S280-Q308 PolarHBondContact OG-N 3.12Å |
| 281 | G | 98 | Very high | 98.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -15.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | V213 P236 P279 I283 | V213-G281 WeakPolarHBondContact CG2-O 3.49Å; P236-G281 WeakPolarHBondContact CB-O 3.49Å; P279-G281 PolarHBondContact O-N 2.87Å; G281-I283 PolarHBondContact O-N 3Å |
| 282 | W | 98.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 19.3 Ų | 19.3 | 6% | 0.061 | 11% | 0.105 | C | C | . | . | trans | -61.8 | 120.7 | -176.1 | -82.1 | 76.5 | 0 | 0 | 0 | 112.3 | F53 R73 P75 L233 P235 P236 I278 P279 H284 | F53-W282 HydrophobicContact CB-CH2 3.56Å; F53-W282 HydrophobicContact CB-CZ3 3.9Å; F53-W282 HydrophobicContact CD1-CH2 4Å; F53-W282 AromaticContact CD2-CH2 3.99Å; F53-W282 HydrophobicContact CD2-CH2 3.99Å; F53-W282 AromaticContact CD2-CZ3 3.69Å; F53-W282 HydrophobicContact CD2-CZ3 3.69Å; F53-W282 HydrophobicContact CE2-CZ3 4.33Å; F53-W282 AromaticContact CG-CH2 3.59Å; F53-W282 HydrophobicContact CG-CH2 3.59Å; F53-W282 AromaticContact CG-CZ3 3.79Å; F53-W282 HydrophobicContact CG-CZ3 3.79Å; R73-W282 PolarHBondContact O-NE1 2.71Å; P75-W282 HydrophobicContact CG-CD2 3.8Å; P75-W282 HydrophobicContact CG-CE3 3.88Å; P75-W282 HydrophobicContact CG-CH2 3.89Å; P75-W282 HydrophobicContact CG-CZ2 3.78Å; P75-W282 HydrophobicContact CG-CZ3 3.92Å; L233-W282 HydrophobicContact CB-CE3 4.2Å; L233-W282 HydrophobicContact CB-CZ3 4.22Å; P235-W282 VanDerWaalsContact CA-CZ3 3.49Å; P235-W282 HydrophobicContact CB-CE3 4.5Å; P235-W282 HydrophobicContact CB-CH2 3.59Å; P235-W282 HydrophobicContact CB-CZ2 4.06Å; P235-W282 HydrophobicContact CB-CZ3 3.85Å; P236-W282 HydrophobicContact CG-CG 4.44Å; I278-W282 HydrophobicContact CG2-CB 3.78Å; P279-W282 PolarHBondContact O-N 2.86Å; W282-H284 PolarHBondContact O-ND1 2.96Å | ||
| 283 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.4 | 179.4 | -54.4 | 148.6 | 0 | 0 | 0 | 107.3 | F211 H212 V213 I234 N240 L241 Y244 L258 G281 | F211-I283 HydrophobicContact CB-CG2 4.29Å; F211-I283 HydrophobicContact CD1-CG2 4.2Å; H212-I283 CarbonylContact O-C 3.53Å; H212-I283 WeakPolarHBondContact O-CA 3.46Å; V213-I283 HydrophobicContact CG2-CB 4.04Å; V213-I283 HydrophobicContact CG2-CG1 3.44Å; V213-I283 VanDerWaalsContact CG2-CG1 3.44Å; V213-I283 HydrophobicContact CG2-CG2 4.5Å; I234-I283 HydrophobicContact CB-CB 4.11Å; I234-I283 WeakPolarHBondContact CB-O 3.42Å; I234-I283 HydrophobicContact CG2-CB 4.41Å; I234-I283 HydrophobicContact CG2-CD1 4.13Å; I234-I283 PolarHBondContact N-O 3.12Å; I234-I283 PolarHBondContact O-N 2.76Å; I234-I283 VanDerWaalsContact O-N 3.16Å; N240-I283 HydrophobicContact CB-CD1 4.06Å; N240-I283 WeakPolarHBondContact O-CD1 3.39Å; L241-I283 HydrophobicContact CD2-CD1 4.06Å; L241-I283 HydrophobicContact CD2-CG1 4.17Å; Y244-I283 HydrophobicContact CD1-CG1 4.34Å; Y244-I283 HydrophobicContact CD2-CG1 4.42Å; Y244-I283 HydrophobicContact CD2-CG2 3.78Å; Y244-I283 HydrophobicContact CE2-CG2 4.18Å; Y244-I283 HydrophobicContact CG-CD1 4.19Å; Y244-I283 HydrophobicContact CG-CG1 4.08Å; Y244-I283 HydrophobicContact CG-CG2 4.26Å; L258-I283 HydrophobicContact CD2-CG2 3.83Å; G281-I283 PolarHBondContact O-N 3Å |
| 284 | H | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 12.7 Ų | 12.7 | 3% | 0.028 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 151.3 | -174.3 | 70.4 | -78.5 | 0 | 0 | 0 | 113.9 | F211 H212 D214 F231 W232 L233 W282 | F211-H284 CarbonylContact C-O 3.54Å; F211-H284 WeakPolarHBondContact CA-O 3.41Å; H212-H284 AromaticContact CE1-NE2 3.67Å; H212-H284 PolarHBondContact N-O 2.75Å; H212-H284 PolarHBondContact ND1-O 2.8Å; H212-H284 VanDerWaalsContact ND1-O 3.15Å; H212-H284 AromaticContact NE2-CE1 3.92Å; H212-H284 AromaticContact NE2-NE2 3.68Å; H212-H284 PolarHBondContact O-N 3.04Å; D214-H284 IonicContact OD2-CE1 3.73Å; D214-H284 PolarHBondContact OD2-CE1 3.16Å; D214-H284 VanDerWaalsContact OD2-CE1 3.31Å; F231-H284 AromaticContact CD1-CD2 3.77Å; F231-H284 AromaticContact CE1-CD2 3.66Å; W232-H284 WeakPolarHBondContact O-CA 3.44Å; W232-H284 VanDerWaalsContact O-CB 3.23Å; W232-H284 WeakPolarHBondContact O-CB 3.15Å; L233-H284 HydrophobicContact CD2-CB 3.96Å; W282-H284 PolarHBondContact O-ND1 2.96Å |
| 285 | A | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 154.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y208 F211 F231 W232 | Y208-A285 HydrophobicContact CE2-CB 3.97Å; F211-A285 HydrophobicContact CB-CB 4.5Å; F211-A285 HydrophobicContact CD1-CB 3.71Å; F211-A285 HydrophobicContact CD2-CB 3.83Å; F211-A285 HydrophobicContact CE1-CB 3.76Å; F211-A285 HydrophobicContact CE2-CB 3.89Å; F211-A285 HydrophobicContact CG-CB 3.76Å; F211-A285 HydrophobicContact CZ-CB 3.86Å; F231-A285 WeakPolarHBondContact CA-O 3.4Å; W232-A285 HydrophobicContact CE3-CB 4.13Å; W232-A285 PolarHBondContact N-O 3.07Å; W232-A285 PolarHBondContact O-N 2.98Å; W232-A285 VanDerWaalsContact O-N 3.11Å |
| 286 | V | 98.4 | Very high | 98.4 | Very high | 10 Ų | 10 | 10.5 Ų | 10.5 | 6% | 0.061 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 123.2 | -170.9 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | Y208 T209 K229 V230 F231 | Y208-V286 CarbonylContact C-O 3.38Å; Y208-V286 WeakPolarHBondContact CA-O 3.38Å; T209-V286 PolarHBondContact N-O 3.23Å; T209-V286 PolarHBondContact O-N 3.43Å; K229-V286 HydrophobicContact CB-CG1 4.44Å; K229-V286 HydrophobicContact CD-CG1 3.9Å; K229-V286 HydrophobicContact CG-CG1 4.46Å; V230-V286 CarbonylContact O-C 3.49Å; V230-V286 WeakPolarHBondContact O-CA 3.43Å; F231-V286 HydrophobicContact CD1-CG2 3.76Å; F231-V286 HydrophobicContact CD2-CG1 4.21Å; F231-V286 HydrophobicContact CE1-CG1 4.36Å; F231-V286 HydrophobicContact CE1-CG2 3.46Å; F231-V286 VanDerWaalsContact CE1-CG2 3.46Å; F231-V286 HydrophobicContact CE2-CG1 3.86Å; F231-V286 HydrophobicContact CE2-CG2 4.44Å; F231-V286 HydrophobicContact CG-CG2 4.38Å; F231-V286 HydrophobicContact CZ-CG1 3.95Å; F231-V286 HydrophobicContact CZ-CG2 3.84Å |
| 287 | Y | 98.3 | Very high | 98.3 | Very high | 25 Ų | 25 | 10.6 Ų | 10.6 | 10% | 0.098 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 157.5 | 169.5 | 176.3 | -107.5 | 0 | 0 | 0 | 112.2 | L40 L44 C207 K229 V230 P289 | L40-Y287 HydrophobicContact CD2-CD2 3.52Å; L40-Y287 HydrophobicContact CD2-CE2 3.73Å; L40-Y287 HydrophobicContact CD2-CG 4.33Å; L44-Y287 HydrophobicContact CD1-CD1 3.74Å; L44-Y287 HydrophobicContact CD1-CD2 4.27Å; L44-Y287 HydrophobicContact CD1-CE1 3.48Å; L44-Y287 VanDerWaalsContact CD1-CE1 3.48Å; L44-Y287 HydrophobicContact CD1-CE2 4.05Å; L44-Y287 HydrophobicContact CD1-CG 4.09Å; L44-Y287 HydrophobicContact CD2-CD1 3.35Å; L44-Y287 HydrophobicContact CD2-CE1 3.85Å; L44-Y287 HydrophobicContact CD2-CG 3.86Å; L44-Y287 HydrophobicContact CG-CD1 4.2Å; L44-Y287 HydrophobicContact CG-CE1 4.34Å; C207-Y287 CarbonylContact O-C 3.59Å; C207-Y287 WeakPolarHBondContact O-CA 3.49Å; K229-Y287 WeakPolarHBondContact CD-O 3.27Å; V230-Y287 HydrophobicContact CB-CD1 4.4Å; V230-Y287 HydrophobicContact CG2-CD1 4.41Å; V230-Y287 PolarHBondContact N-O 3.18Å; V230-Y287 PolarHBondContact O-N 3.12Å; Y287-P289 HydrophobicContact CD1-CB 4.42Å; Y287-P289 HydrophobicContact CE1-CB 3.97Å |
| 288 | T | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -126 | 94.6 | -174.1 | -43.8 | 0 | 0 | 0 | 0 | 109.8 | V204 R205 G206 C207 K229 T290 | V204-T288 WeakPolarHBondContact O-CB 3.27Å; V204-T288 WeakPolarHBondContact O-CG2 3.3Å; R205-T288 WeakPolarHBondContact CA-O 3.48Å; G206-T288 PolarHBondContact N-O 2.67Å; C207-T288 WeakPolarHBondContact CB-OG1 3.47Å; C207-T288 VanDerWaalsContact O-CB 3.31Å; C207-T288 WeakPolarHBondContact O-CB 3.39Å; C207-T288 PolarHBondContact O-N 3.45Å; C207-T288 PolarHBondContact O-OG1 2.79Å; K229-T288 HydrophobicContact CD-CG2 4.22Å; K229-T288 PolarHBondContact NZ-OG1 3.04Å; T288-T290 VanDerWaalsContact C-N 3.33Å; T288-T290 WeakPolarHBondContact CG2-O 3.37Å; T288-T290 PolarHBondContact O-N 2.83Å | ||
| 289 | P | 97.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 11 Ų | 11 | 25% | 0.247 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -71.4 | -22.4 | -175.8 | 27.6 | -36 | 0 | 0 | 0 | 114.5 | R205 G228 V230 Y287 | R205-P289 VanDerWaalsContact CD-O 3.28Å; R205-P289 WeakPolarHBondContact CD-O 3.27Å; R205-P289 WeakPolarHBondContact CG-O 3.23Å; R205-P289 PolarHBondContact NE-O 3.47Å; G228-P289 WeakPolarHBondContact O-CD 3.5Å; V230-P289 HydrophobicContact CG2-CG 4.4Å; Y287-P289 HydrophobicContact CD1-CB 4.42Å; Y287-P289 HydrophobicContact CE1-CB 3.97Å |
| 290 | T | 97.4 | Very high | 98.3 | Very high | 65 Ų | 65 | 11 Ų | 11 | 40% | 0.399 | 6% | 0.061 | S | C | . | . | S | Bend | trans | -143.2 | 158.4 | 179.8 | 52 | 0 | 0 | 0 | 0 | 110.2 | T288 T292 | T288-T290 VanDerWaalsContact C-N 3.33Å; T288-T290 WeakPolarHBondContact CG2-O 3.37Å; T288-T290 PolarHBondContact O-N 2.83Å; T290-T292 WeakPolarHBondContact O-CB 3.27Å; T290-T292 PolarHBondContact O-N 3.11Å; T290-T292 PolarHBondContact O-OG1 3.02Å |
| 291 | D | 98.1 | Very high | 98.3 | Very high | 54 Ų | 54 | 11 Ų | 11 | 29% | 0.289 | 6% | 0.061 | S | C | . | . | trans | -54.4 | 124.6 | 170.9 | -76.5 | 9.4 | 0 | 0 | 0 | 110.1 | Y130 R137 V204 R205 | Y130-D291 HydrophobicContact CE1-CB 4.43Å; R137-D291 IonicContact CZ-OD1 2.84Å; R137-D291 IonicContact CZ-OD2 2.67Å; R137-D291 IonicContact NH1-OD1 2.62Å; R137-D291 PolarHBondContact NH1-OD1 3Å; R137-D291 IonicContact NH1-OD2 3.3Å; R137-D291 PolarHBondContact NH1-OD2 2.69Å; R137-D291 IonicContact NH2-OD1 2.96Å; R137-D291 IonicContact NH2-OD2 3.85Å; R137-D291 PolarHBondContact NH2-OD2 2.81Å; V204-D291 VanDerWaalsContact CA-OD1 3.24Å; V204-D291 WeakPolarHBondContact CA-OD1 3.38Å; V204-D291 WeakPolarHBondContact CB-OD1 3.35Å; R205-D291 PolarHBondContact N-OD1 3.1Å | ||
| 292 | T | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 133.1 | -160.7 | -69.5 | 0 | 0 | 0 | 0 | 112.2 | Y130 S203 Q226 G228 K229 T290 V294 | Y130-T292 PolarHBondContact OH-N 3.41Å; Y130-T292 PolarHBondContact OH-O 3.14Å; S203-T292 PolarHBondContact N-O 2.92Å; S203-T292 PolarHBondContact O-N 3.26Å; Q226-T292 WeakPolarHBondContact O-CA 3.41Å; Q226-T292 WeakPolarHBondContact O-CG2 3.38Å; G228-T292 PolarHBondContact N-OG1 2.81Å; G228-T292 PolarHBondContact O-OG1 2.83Å; K229-T292 HydrophobicContact CD-CG2 4.25Å; K229-T292 HydrophobicContact CG-CG2 4.22Å; T290-T292 WeakPolarHBondContact O-CB 3.27Å; T290-T292 PolarHBondContact O-N 3.11Å; T290-T292 PolarHBondContact O-OG1 3.02Å; T292-V294 HydrophobicContact CG2-CG2 3.79Å |
| 293 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130 | 175.5 | -177.8 | 64.4 | 0 | 0 | 0 | 110 | F93 V95 V98 M202 H225 Q226 F295 | F93-L293 HydrophobicContact CD1-CD2 4.37Å; F93-L293 WeakPolarHBondContact O-CD2 3.49Å; V95-L293 HydrophobicContact CG2-CD1 4.45Å; V98-L293 HydrophobicContact CG2-CD1 4.19Å; M202-L293 HydrophobicContact CG-CD1 3.65Å; H225-L293 PolarHBondContact N-O 3.25Å; Q226-L293 HydrophobicContact CB-CB 4.2Å; Q226-L293 PolarHBondContact N-O 2.86Å; Q226-L293 VanDerWaalsContact N-O 3.11Å; Q226-L293 PolarHBondContact O-N 2.85Å; L293-F295 HydrophobicContact CD1-CZ 4.5Å; L293-F295 HydrophobicContact CD2-CE2 4.37Å; L293-F295 HydrophobicContact CD2-CZ 4.27Å; L293-F295 HydrophobicContact CG-CE2 4.42Å; L293-F295 HydrophobicContact CG-CZ 4.38Å |
| 294 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 141.3 | -175.8 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | C200 L201 Y222 H223 I224 T292 | C200-V294 WeakPolarHBondContact CA-O 3.46Å; L201-V294 HydrophobicContact CB-CB 4.15Å; L201-V294 HydrophobicContact CD1-CB 4.27Å; L201-V294 HydrophobicContact CD1-CG1 4.13Å; L201-V294 PolarHBondContact N-O 3.06Å; L201-V294 PolarHBondContact O-N 3.22Å; Y222-V294 HydrophobicContact CD1-CG1 3.52Å; Y222-V294 HydrophobicContact CD2-CG1 4.17Å; Y222-V294 HydrophobicContact CE1-CB 4.19Å; Y222-V294 HydrophobicContact CE1-CG1 3.38Å; Y222-V294 HydrophobicContact CE1-CG2 3.8Å; Y222-V294 HydrophobicContact CE2-CG1 4.07Å; Y222-V294 HydrophobicContact CG-CG1 3.92Å; H223-V294 WeakPolarHBondContact O-CA 3.47Å; H223-V294 VanDerWaalsContact O-CG1 3.24Å; H223-V294 WeakPolarHBondContact O-CG1 3.43Å; I224-V294 HydrophobicContact CD1-CG2 3.95Å; T292-V294 HydrophobicContact CG2-CG2 3.79Å |
| 295 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.2 | 162.8 | -61.7 | -67.5 | 0 | 0 | 0 | 109.9 | M88 P89 F93 F148 L153 V157 C200 W221 H223 H225 L293 | M88-F295 HydrophobicContact CE-CB 4.34Å; M88-F295 HydrophobicContact SD-CB 3.85Å; M88-F295 HydrophobicContact SD-CD2 3.78Å; M88-F295 HydrophobicContact SD-CG 4.16Å; P89-F295 HydrophobicContact CG-CD2 4.33Å; P89-F295 HydrophobicContact CG-CE2 3.6Å; P89-F295 HydrophobicContact CG-CZ 3.83Å; F93-F295 HydrophobicContact CD1-CZ 4.26Å; F93-F295 HydrophobicContact CE1-CZ 4.22Å; F148-F295 AromaticContact CE1-CD1 3.81Å; F148-F295 HydrophobicContact CE1-CD1 3.81Å; F148-F295 HydrophobicContact CE1-CE1 4.37Å; F148-F295 AromaticContact CZ-CD1 3.96Å; F148-F295 HydrophobicContact CZ-CD1 3.96Å; L153-F295 HydrophobicContact CD2-CE1 4.07Å; V157-F295 HydrophobicContact CG1-CB 3.95Å; V157-F295 HydrophobicContact CG1-CG 4.34Å; V157-F295 HydrophobicContact CG2-CB 4.46Å; V157-F295 HydrophobicContact CG2-CD1 3.87Å; V157-F295 HydrophobicContact CG2-CD2 4.36Å; V157-F295 HydrophobicContact CG2-CE1 4.23Å; V157-F295 HydrophobicContact CG2-CG 3.94Å; C200-F295 HydrophobicContact CB-CD1 4.11Å; C200-F295 HydrophobicContact CB-CE1 3.95Å; W221-F295 HydrophobicContact CH2-CB 4.44Å; W221-F295 WeakPolarHBondContact CZ3-O 3.46Å; H223-F295 WeakPolarHBondContact CB-O 3.49Å; H223-F295 PolarHBondContact N-O 2.99Å; H223-F295 PolarHBondContact O-N 2.95Å; H223-F295 VanDerWaalsContact O-N 3.11Å; H225-F295 HydrophobicContact CB-CD2 3.92Å; H225-F295 HydrophobicContact CB-CE2 4.02Å; H225-F295 AromaticContact CG-CE2 3.86Å; L293-F295 HydrophobicContact CD1-CZ 4.5Å; L293-F295 HydrophobicContact CD2-CE2 4.37Å; L293-F295 HydrophobicContact CD2-CZ 4.27Å; L293-F295 HydrophobicContact CG-CE2 4.42Å; L293-F295 HydrophobicContact CG-CZ 4.38Å |
| 296 | G | 97.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -169.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K198 Y199 W221 | K198-G296 CarbonylContact C-O 3.56Å; K198-G296 WeakPolarHBondContact CA-O 3.21Å; Y199-G296 PolarHBondContact N-O 2.88Å; Y199-G296 PolarHBondContact O-N 3.43Å; W221-G296 VanDerWaalsContact CE2-C 3.4Å; W221-G296 WeakPolarHBondContact CZ2-O 3.45Å; W221-G296 CarbonylContact O-C 3.15Å; W221-G296 WeakPolarHBondContact O-CA 3.42Å |
| 297 | G | 97.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | 153.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q197 V220 W221 | Q197-G297 WeakPolarHBondContact O-CA 3.35Å; V220-G297 WeakPolarHBondContact CA-O 3.36Å; W221-G297 VanDerWaalsContact CD1-O 3.23Å; W221-G297 PolarHBondContact N-O 2.94Å; W221-G297 VanDerWaalsContact NE1-CA 3.32Å; W221-G297 PolarHBondContact O-N 2.63Å |
| 298 | N | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 11.3 Ų | 11.3 | 6% | 0.064 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 142.1 | 177.9 | -81.3 | -89.1 | 0 | 0 | 0 | 110 | V196 Y199 F215 T218 V220 | V196-N298 HydrophobicContact CB-CB 4.37Å; V196-N298 HydrophobicContact CG2-CB 4.37Å; V196-N298 PolarHBondContact O-N 2.91Å; V196-N298 VanDerWaalsContact O-N 3.15Å; Y199-N298 HydrophobicContact CE2-CB 4.47Å; F215-N298 HydrophobicContact CE2-CB 4.3Å; F215-N298 HydrophobicContact CZ-CB 3.82Å; T218-N298 WeakPolarHBondContact CB-OD1 3.24Å; T218-N298 HydrophobicContact CG2-CB 4.06Å; T218-N298 PolarHBondContact OG1-OD1 3.11Å; V220-N298 WeakPolarHBondContact CG2-OD1 3.38Å |
| 299 | F | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 152.1 | 175.5 | 62.5 | -80.8 | 0 | 0 | 0 | 111.8 | L72 V163 I166 D167 T218 S219 W221 H301 | L72-F299 HydrophobicContact CD2-CE2 4.07Å; L72-F299 HydrophobicContact CD2-CZ 4.02Å; V163-F299 HydrophobicContact CG1-CB 4.19Å; V163-F299 HydrophobicContact CG1-CD1 3.56Å; V163-F299 HydrophobicContact CG1-CD2 3.97Å; V163-F299 HydrophobicContact CG1-CE1 3.81Å; V163-F299 HydrophobicContact CG1-CE2 4.19Å; V163-F299 HydrophobicContact CG1-CG 3.65Å; V163-F299 HydrophobicContact CG1-CZ 4.11Å; V163-F299 HydrophobicContact CG2-CE1 4.14Å; V163-F299 HydrophobicContact CG2-CZ 4.12Å; I166-F299 HydrophobicContact CD1-CE2 3.91Å; I166-F299 HydrophobicContact CG1-CD2 4.39Å; I166-F299 HydrophobicContact CG1-CE2 4.17Å; D167-F299 HydrophobicContact CB-CB 3.94Å; T218-F299 WeakPolarHBondContact CA-O 3.32Å; T218-F299 WeakPolarHBondContact CB-O 3.43Å; S219-F299 VanDerWaalsContact CB-CZ 3.46Å; S219-F299 PolarHBondContact N-O 2.82Å; S219-F299 WeakPolarHBondContact O-CD1 3.34Å; S219-F299 PolarHBondContact O-N 2.96Å; W221-F299 HydrophobicContact CB-CE1 4.43Å; F299-H301 HydrophobicContact CD2-CB 4.46Å |
| 300 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -106.9 | 149 | 168 | -64.2 | 171.5 | 0 | 0 | 0 | 108.4 | D167 W168 T218 Q308 Y326 Y329 | D167-L300 WeakPolarHBondContact CA-O 3.28Å; W168-L300 HydrophobicContact CB-CB 4.19Å; W168-L300 HydrophobicContact CD2-CB 3.64Å; W168-L300 HydrophobicContact CE3-CB 3.42Å; W168-L300 VanDerWaalsContact CE3-CB 3.42Å; W168-L300 HydrophobicContact CE3-CD1 3.63Å; W168-L300 HydrophobicContact CE3-CG 4.15Å; W168-L300 HydrophobicContact CG-CB 3.97Å; W168-L300 HydrophobicContact CZ3-CB 4.13Å; W168-L300 HydrophobicContact CZ3-CD1 3.94Å; W168-L300 PolarHBondContact N-O 2.85Å; T218-L300 HydrophobicContact CG2-CD2 3.65Å; T218-L300 HydrophobicContact CG2-CG 3.87Å; L300-Q308 VanDerWaalsContact CA-OE1 3.28Å; L300-Q308 HydrophobicContact CD2-CB 4.2Å; L300-Q308 VanDerWaalsContact CD2-CD 3.47Å; L300-Q308 HydrophobicContact CD2-CG 3.81Å; L300-Y326 HydrophobicContact CD1-CD1 4.16Å; L300-Y326 HydrophobicContact CD1-CD2 3.93Å; L300-Y326 HydrophobicContact CD1-CE1 3.78Å; L300-Y326 HydrophobicContact CD1-CE2 3.53Å; L300-Y326 HydrophobicContact CD1-CG 4.24Å; L300-Y326 VanDerWaalsContact CD1-CZ 3.45Å; L300-Y326 HydrophobicContact CG-CD2 4.23Å; L300-Y326 HydrophobicContact CG-CE2 3.71Å; L300-Y329 HydrophobicContact CD1-CD2 3.95Å; L300-Y329 HydrophobicContact CD1-CE2 3.8Å; L300-Y329 HydrophobicContact CD2-CE2 4.28Å | ||
| 301 | H | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -146.3 | 158.2 | -178.1 | 67 | 102.6 | 0 | 0 | 0 | 111.8 | G71 L72 I166 W168 S219 F299 F303 N304 Q308 | G71-H301 PolarHBondContact O-CE1 3.04Å; L72-H301 VanDerWaalsContact CB-CE1 3.42Å; L72-H301 WeakPolarHBondContact CB-CE1 3.12Å; I166-H301 HydrophobicContact CB-CB 4.17Å; I166-H301 HydrophobicContact CD1-CB 4.19Å; I166-H301 HydrophobicContact CG1-CB 4.08Å; W168-H301 VanDerWaalsContact NE1-C 3.33Å; S219-H301 PolarHBondContact OG-CD2 2.88Å; S219-H301 PolarHBondContact OG-NE2 2.75Å; F299-H301 HydrophobicContact CD2-CB 4.46Å; H301-F303 VanDerWaalsContact C-N 3.27Å; H301-F303 VanDerWaalsContact CE1-C 3.48Å; H301-F303 AromaticContact ND1-CD2 3.92Å; H301-F303 PolarHBondContact ND1-N 2.86Å; H301-F303 PolarHBondContact O-N 2.83Å; H301-N304 WeakPolarHBondContact CE1-CB 3.17Å; H301-N304 PolarHBondContact CE1-N 3.49Å; H301-Q308 PolarHBondContact O-NE2 2.99Å; H301-Q308 PolarHBondContact O-OE1 3.12Å | ||
| 302 | S | 98.2 | Very high | 98.3 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 3% | 0.028 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.2 | -170.6 | -48.9 | 0 | 0 | 0 | 0 | 115.2 | W168 I305 Y340 | W168-S302 PolarHBondContact NE1-OG 2.64Å; W168-S302 VanDerWaalsContact NE1-OG 3.15Å; S302-I305 WeakPolarHBondContact O-CG1 3.42Å; S302-Y340 WeakPolarHBondContact CB-OH 3.2Å; S302-Y340 PolarHBondContact OG-OH 2.98Å |
| 303 | F | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 1% | 0.013 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -0.3 | -171.1 | -54.1 | -86.6 | 0 | 0 | 0 | 113.7 | I67 Q68 R73 I166 H301 T454 F456 E457 | I67-F303 HydrophobicContact CG2-CB 4.2Å; I67-F303 HydrophobicContact CG2-CD1 4.49Å; I67-F303 HydrophobicContact CG2-CD2 3.38Å; I67-F303 HydrophobicContact CG2-CE2 3.82Å; I67-F303 HydrophobicContact CG2-CG 3.77Å; Q68-F303 HydrophobicContact CB-CE1 4.48Å; Q68-F303 HydrophobicContact CG-CE1 3.81Å; Q68-F303 HydrophobicContact CG-CZ 3.99Å; R73-F303 PolarHBondContact NH2-O 3.31Å; I166-F303 HydrophobicContact CG2-CE2 4.19Å; H301-F303 VanDerWaalsContact C-N 3.27Å; H301-F303 VanDerWaalsContact CE1-C 3.48Å; H301-F303 AromaticContact ND1-CD2 3.92Å; H301-F303 PolarHBondContact ND1-N 2.86Å; H301-F303 PolarHBondContact O-N 2.83Å; F303-T454 HydrophobicContact CE1-CG2 4.19Å; F303-F456 HydrophobicContact CB-CB 4.27Å; F303-F456 HydrophobicContact CD1-CB 4.42Å; F303-F456 WeakPolarHBondContact O-CB 3.44Å; F303-E457 HydrophobicContact CD1-CG 3.89Å; F303-E457 VanDerWaalsContact CE1-CD 3.46Å; F303-E457 HydrophobicContact CE1-CG 3.76Å; F303-E457 WeakPolarHBondContact CE1-OE2 3.15Å; F303-E457 HydrophobicContact CZ-CG 4.44Å |
| 304 | N | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -144.8 | 35.3 | 174.1 | -158.6 | -1 | 0 | 0 | 0 | 113.2 | R73 H301 P306 M307 Q308 | R73-N304 WeakPolarHBondContact CD-ND2 3.5Å; R73-N304 VanDerWaalsContact CZ-CG 3.46Å; R73-N304 PolarHBondContact NH1-OD1 2.86Å; R73-N304 PolarHBondContact NH2-OD1 2.77Å; H301-N304 WeakPolarHBondContact CE1-CB 3.17Å; H301-N304 PolarHBondContact CE1-N 3.49Å; N304-P306 VanDerWaalsContact C-CD 3.41Å; N304-M307 PolarHBondContact O-N 3.05Å; N304-M307 VanDerWaalsContact O-N 3.17Å; N304-M307 WeakPolarHBondContact OD1-CB 3.21Å; N304-Q308 WeakPolarHBondContact O-CG 3.47Å; N304-Q308 PolarHBondContact O-N 2.94Å |
| 305 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -55.9 | -40.3 | -179.4 | -46 | 177.4 | 0 | 0 | 0 | 113.6 | W168 S302 M307 Q308 L309 L464 | W168-I305 HydrophobicContact CH2-CD1 4.26Å; W168-I305 HydrophobicContact CH2-CG1 4.15Å; W168-I305 HydrophobicContact CH2-CG2 4.03Å; W168-I305 HydrophobicContact CZ2-CD1 3.68Å; W168-I305 HydrophobicContact CZ2-CG1 3.71Å; W168-I305 HydrophobicContact CZ2-CG2 4.44Å; S302-I305 WeakPolarHBondContact O-CG1 3.42Å; I305-M307 VanDerWaalsContact C-N 3.25Å; I305-M307 PolarHBondContact O-N 2.82Å; I305-Q308 PolarHBondContact O-N 3.3Å; I305-Q308 VanDerWaalsContact O-N 3.17Å; I305-L309 HydrophobicContact CG2-CD1 4.14Å; I305-L309 HydrophobicContact CG2-CG 4.1Å; I305-L309 WeakPolarHBondContact O-CG 3.34Å; I305-L309 PolarHBondContact O-N 3.39Å; I305-L464 HydrophobicContact CD1-CD1 4.14Å; I305-L464 HydrophobicContact CD1-CG 4.35Å; I305-L464 HydrophobicContact CG2-CD1 4.48Å; I305-L464 HydrophobicContact CG2-CD2 3.56Å; I305-L464 HydrophobicContact CG2-CG 3.81Å |
| 306 | P | 98.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 16 Ų | 16 | 18% | 0.182 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.2 | -36.3 | 178.4 | -25 | 35.5 | 0 | 0 | 0 | 112.9 | N304 K310 E459 | N304-P306 VanDerWaalsContact C-CD 3.41Å; P306-K310 VanDerWaalsContact O-CB 3.3Å; P306-K310 WeakPolarHBondContact O-CB 3.47Å; P306-K310 PolarHBondContact O-N 2.88Å; P306-E459 HydrophobicContact CG-CG 3.89Å |
| 307 | M | 98.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 22 Ų | 22 | 13% | 0.128 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -73 | -44.4 | 175.1 | -169.8 | 59 | 68 | 0 | 0 | 112.1 | P236 L241 S280 N304 I305 L309 K310 I311 | P236-M307 HydrophobicContact CB-CE 3.77Å; P236-M307 HydrophobicContact CB-SD 4.03Å; P236-M307 HydrophobicContact CG-CE 4.07Å; L241-M307 HydrophobicContact CD1-CE 4.19Å; L241-M307 HydrophobicContact CD1-SD 3.75Å; S280-M307 WeakPolarHBondContact O-CG 3.28Å; N304-M307 PolarHBondContact O-N 3.05Å; N304-M307 VanDerWaalsContact O-N 3.17Å; N304-M307 WeakPolarHBondContact OD1-CB 3.21Å; I305-M307 VanDerWaalsContact C-N 3.25Å; I305-M307 PolarHBondContact O-N 2.82Å; M307-L309 VanDerWaalsContact C-N 3.26Å; M307-L309 PolarHBondContact O-N 3.33Å; M307-K310 HydrophobicContact CE-CD 4.42Å; M307-K310 WeakPolarHBondContact O-CA 3.42Å; M307-K310 WeakPolarHBondContact O-CB 3.23Å; M307-K310 PolarHBondContact O-N 2.91Å; M307-K310 HydrophobicContact SD-CB 4.29Å; M307-K310 HydrophobicContact SD-CD 3.99Å; M307-I311 HydrophobicContact CG-CG1 4.45Å; M307-I311 WeakPolarHBondContact O-CG1 3.34Å; M307-I311 PolarHBondContact O-N 2.87Å; M307-I311 HydrophobicContact SD-CD1 4.18Å; M307-I311 HydrophobicContact SD-CG1 4.46Å |
| 308 | Q | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -52.4 | -48.5 | 175.3 | -62 | 175.6 | 156.5 | 0 | 0 | 110.3 | S280 L300 H301 N304 I305 I311 Y312 Y329 | S280-Q308 WeakPolarHBondContact OG-CG 3.45Å; S280-Q308 PolarHBondContact OG-N 3.12Å; L300-Q308 VanDerWaalsContact CA-OE1 3.28Å; L300-Q308 HydrophobicContact CD2-CB 4.2Å; L300-Q308 VanDerWaalsContact CD2-CD 3.47Å; L300-Q308 HydrophobicContact CD2-CG 3.81Å; H301-Q308 PolarHBondContact O-NE2 2.99Å; H301-Q308 PolarHBondContact O-OE1 3.12Å; N304-Q308 WeakPolarHBondContact O-CG 3.47Å; N304-Q308 PolarHBondContact O-N 2.94Å; I305-Q308 PolarHBondContact O-N 3.3Å; I305-Q308 VanDerWaalsContact O-N 3.17Å; Q308-I311 PolarHBondContact O-N 2.96Å; Q308-Y312 PolarHBondContact O-N 2.72Å; Q308-Y329 WeakPolarHBondContact CB-OH 3.44Å; Q308-Y329 PolarHBondContact O-OH 3.05Å; Q308-Y329 VanDerWaalsContact O-OH 3.07Å |
| 309 | L | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.3 | -67.6 | 178.4 | 0 | 0 | 0 | 112.6 | I305 M307 I311 Y312 N313 Y329 C463 L464 K467 | I305-L309 HydrophobicContact CG2-CD1 4.14Å; I305-L309 HydrophobicContact CG2-CG 4.1Å; I305-L309 WeakPolarHBondContact O-CG 3.34Å; I305-L309 PolarHBondContact O-N 3.39Å; M307-L309 VanDerWaalsContact C-N 3.26Å; M307-L309 PolarHBondContact O-N 3.33Å; L309-I311 VanDerWaalsContact C-N 3.34Å; L309-I311 PolarHBondContact O-N 2.88Å; L309-Y312 PolarHBondContact O-N 2.9Å; L309-N313 WeakPolarHBondContact O-CB 3.34Å; L309-N313 VanDerWaalsContact O-CG 3.24Å; L309-N313 PolarHBondContact O-N 3.15Å; L309-N313 PolarHBondContact O-ND2 3.5Å; L309-Y329 HydrophobicContact CD2-CE1 4.03Å; L309-Y329 PolarHBondContact N-OH 3.34Å; L309-C463 HydrophobicContact CD1-CB 3.81Å; L309-C463 WeakPolarHBondContact CD1-O 3.31Å; L309-L464 HydrophobicContact CD1-CD2 4.27Å; L309-L464 HydrophobicContact CD2-CD2 4.26Å; L309-K467 HydrophobicContact CD1-CB 4.2Å; L309-K467 HydrophobicContact CD2-CG 4.09Å |
| 310 | K | 98.1 | Very high | 96.6 | Very high | 72 Ų | 72 | 35 Ų | 35 | 31% | 0.313 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 177.7 | -169.9 | 176.4 | -177.7 | -176.6 | 0 | 111.7 | L241 P306 M307 N313 I314 | L241-K310 HydrophobicContact CD1-CD 3.82Å; P306-K310 VanDerWaalsContact O-CB 3.3Å; P306-K310 WeakPolarHBondContact O-CB 3.47Å; P306-K310 PolarHBondContact O-N 2.88Å; M307-K310 HydrophobicContact CE-CD 4.42Å; M307-K310 WeakPolarHBondContact O-CA 3.42Å; M307-K310 WeakPolarHBondContact O-CB 3.23Å; M307-K310 PolarHBondContact O-N 2.91Å; M307-K310 HydrophobicContact SD-CB 4.29Å; M307-K310 HydrophobicContact SD-CD 3.99Å; K310-N313 PolarHBondContact O-N 3.42Å; K310-I314 WeakPolarHBondContact O-CG1 3.18Å; K310-I314 PolarHBondContact O-N 3.08Å; K310-I314 VanDerWaalsContact O-N 3.1Å |
| 311 | I | 98.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.1 | -44.3 | 175.3 | -55.8 | -47.9 | 0 | 0 | 0 | 111.4 | V213 L241 M307 Q308 L309 N313 I314 E315 | V213-I311 HydrophobicContact CB-CG2 4.45Å; V213-I311 HydrophobicContact CG1-CD1 3.92Å; V213-I311 HydrophobicContact CG1-CG1 3.9Å; V213-I311 HydrophobicContact CG1-CG2 3.82Å; L241-I311 HydrophobicContact CD1-CD1 4.46Å; L241-I311 HydrophobicContact CD2-CD1 3.66Å; M307-I311 HydrophobicContact CG-CG1 4.45Å; M307-I311 WeakPolarHBondContact O-CG1 3.34Å; M307-I311 PolarHBondContact O-N 2.87Å; M307-I311 HydrophobicContact SD-CD1 4.18Å; M307-I311 HydrophobicContact SD-CG1 4.46Å; Q308-I311 PolarHBondContact O-N 2.96Å; L309-I311 VanDerWaalsContact C-N 3.34Å; L309-I311 PolarHBondContact O-N 2.88Å; I311-N313 PolarHBondContact O-N 3.24Å; I311-I314 HydrophobicContact CD1-CD1 3.97Å; I311-I314 WeakPolarHBondContact O-CA 3.32Å; I311-I314 WeakPolarHBondContact O-CB 3.41Å; I311-I314 PolarHBondContact O-N 3Å; I311-E315 PolarHBondContact O-N 2.94Å |
| 312 | Y | 97.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -34.4 | 175.8 | -163.9 | -81.2 | 0 | 0 | 0 | 112.3 | Q308 L309 D316 R325 Y329 Y330 | Q308-Y312 PolarHBondContact O-N 2.72Å; L309-Y312 PolarHBondContact O-N 2.9Å; Y312-D316 PolarHBondContact O-N 3Å; Y312-D316 VanDerWaalsContact O-N 3.1Å; Y312-R325 VanDerWaalsContact CE2-NH2 3.35Å; Y312-R325 PolarHBondContact O-NH2 2.98Å; Y312-Y329 HydrophobicContact CD1-CD1 4.34Å; Y312-Y329 HydrophobicContact CD1-CE1 4.34Å; Y312-Y329 AromaticContact CD2-CD1 3.34Å; Y312-Y329 HydrophobicContact CD2-CD1 3.34Å; Y312-Y329 AromaticContact CD2-CD2 3.74Å; Y312-Y329 HydrophobicContact CD2-CD2 3.74Å; Y312-Y329 AromaticContact CD2-CE1 3.53Å; Y312-Y329 HydrophobicContact CD2-CE1 3.53Å; Y312-Y329 AromaticContact CD2-CE2 3.89Å; Y312-Y329 HydrophobicContact CD2-CE2 3.89Å; Y312-Y329 AromaticContact CD2-CG 3.44Å; Y312-Y329 HydrophobicContact CD2-CG 3.44Å; Y312-Y329 VanDerWaalsContact CD2-CG 3.44Å; Y312-Y329 AromaticContact CD2-CZ 3.79Å; Y312-Y329 HydrophobicContact CE1-CD1 4.43Å; Y312-Y329 VanDerWaalsContact CE2-CB 3.47Å; Y312-Y329 AromaticContact CE2-CD1 3.43Å; Y312-Y329 HydrophobicContact CE2-CD1 3.43Å; Y312-Y329 VanDerWaalsContact CE2-CD1 3.43Å; Y312-Y329 HydrophobicContact CE2-CD2 4Å; Y312-Y329 HydrophobicContact CE2-CE1 4.12Å; Y312-Y329 AromaticContact CE2-CG 3.35Å; Y312-Y329 HydrophobicContact CE2-CG 3.35Å; Y312-Y329 AromaticContact CG-CD1 3.82Å; Y312-Y329 HydrophobicContact CG-CD1 3.82Å; Y312-Y329 AromaticContact CG-CE1 3.65Å; Y312-Y329 HydrophobicContact CG-CE1 3.65Å; Y312-Y329 HydrophobicContact CG-CG 4.36Å; Y312-Y329 AromaticContact CZ-CD1 3.99Å; Y312-Y330 HydrophobicContact CD1-CE2 4.22Å; Y312-Y330 AromaticContact CD1-CZ 3.8Å; Y312-Y330 VanDerWaalsContact CD1-OH 3.31Å; Y312-Y330 WeakPolarHBondContact CD1-OH 3.43Å; Y312-Y330 HydrophobicContact CE1-CD2 4.34Å; Y312-Y330 HydrophobicContact CE1-CE1 4.42Å; Y312-Y330 AromaticContact CE1-CE2 3.38Å; Y312-Y330 HydrophobicContact CE1-CE2 3.38Å; Y312-Y330 AromaticContact CE1-CZ 3.43Å; Y312-Y330 VanDerWaalsContact CE1-CZ 3.43Å; Y312-Y330 VanDerWaalsContact CE1-OH 3.22Å; Y312-Y330 WeakPolarHBondContact CE1-OH 3.25Å; Y312-Y330 AromaticContact CZ-CE2 3.78Å |
| 313 | N | 96.5 | Very high | 94.7 | Very high | 46 Ų | 46 | 50.9 Ų | 50.9 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.2 | -33.9 | 172.9 | -69.1 | -50 | 0 | 0 | 0 | 112.9 | L309 K310 I311 D316 R317 K467 | L309-N313 WeakPolarHBondContact O-CB 3.34Å; L309-N313 VanDerWaalsContact O-CG 3.24Å; L309-N313 PolarHBondContact O-N 3.15Å; L309-N313 PolarHBondContact O-ND2 3.5Å; K310-N313 PolarHBondContact O-N 3.42Å; I311-N313 PolarHBondContact O-N 3.24Å; N313-D316 PolarHBondContact O-N 2.82Å; N313-R317 WeakPolarHBondContact O-CG 3.04Å; N313-R317 PolarHBondContact O-N 3.07Å; N313-R317 VanDerWaalsContact O-N 3.16Å; N313-K467 PolarHBondContact OD1-NZ 2.66Å |
| 314 | I | 96.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 172.2 | -68.2 | 160.5 | 0 | 0 | 0 | 110.1 | L241 E245 K310 I311 D316 R317 T318 | L241-I314 HydrophobicContact CB-CD1 4.28Å; L241-I314 HydrophobicContact CD2-CD1 4.07Å; E245-I314 HydrophobicContact CB-CG2 4.25Å; E245-I314 HydrophobicContact CG-CG2 4.33Å; K310-I314 WeakPolarHBondContact O-CG1 3.18Å; K310-I314 PolarHBondContact O-N 3.08Å; K310-I314 VanDerWaalsContact O-N 3.1Å; I311-I314 HydrophobicContact CD1-CD1 3.97Å; I311-I314 WeakPolarHBondContact O-CA 3.32Å; I311-I314 WeakPolarHBondContact O-CB 3.41Å; I311-I314 PolarHBondContact O-N 3Å; I314-D316 VanDerWaalsContact C-N 3.31Å; I314-D316 PolarHBondContact O-N 3.4Å; I314-R317 VanDerWaalsContact CG1-NH2 3.3Å; I314-R317 PolarHBondContact O-N 3.37Å; I314-T318 HydrophobicContact CG2-CG2 4.05Å; I314-T318 WeakPolarHBondContact O-CB 3.23Å; I314-T318 WeakPolarHBondContact O-CG2 3.44Å; I314-T318 PolarHBondContact O-N 2.62Å; I314-T318 PolarHBondContact O-OG1 3.44Å |
| 315 | E | 97 | Very high | 94.2 | Very high | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 174.7 | -68.4 | -178.7 | 151.9 | 0 | 0 | 112.6 | F215 G216 I311 T318 R319 V320 R325 | F215-E315 VanDerWaalsContact CA-OE1 3.27Å; F215-E315 WeakPolarHBondContact CA-OE1 3.24Å; G216-E315 PolarHBondContact N-OE1 2.93Å; I311-E315 PolarHBondContact O-N 2.94Å; E315-T318 WeakPolarHBondContact CA-OG1 3.24Å; E315-T318 PolarHBondContact O-OG1 2.9Å; E315-R319 WeakPolarHBondContact O-CA 2.97Å; E315-R319 PolarHBondContact O-N 3.28Å; E315-V320 HydrophobicContact CB-CB 4.17Å; E315-V320 HydrophobicContact CB-CG2 4Å; E315-V320 HydrophobicContact CG-CB 4.44Å; E315-V320 HydrophobicContact CG-CG2 4.1Å; E315-V320 PolarHBondContact O-N 3.34Å; E315-R325 VanDerWaalsContact CB-NH2 3.28Å; E315-R325 IonicContact OE2-CZ 2.96Å; E315-R325 IonicContact OE2-NE 3.33Å; E315-R325 PolarHBondContact OE2-NE 3.39Å; E315-R325 IonicContact OE2-NH2 3.61Å; E315-R325 PolarHBondContact OE2-NH2 3.18Å |
| 316 | D | 91.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 58 Ų | 58 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 176.3 | -88.2 | -28.7 | 0 | 0 | 0 | 111.8 | Y312 N313 I314 R325 | Y312-D316 PolarHBondContact O-N 3Å; Y312-D316 VanDerWaalsContact O-N 3.1Å; N313-D316 PolarHBondContact O-N 2.82Å; I314-D316 VanDerWaalsContact C-N 3.31Å; I314-D316 PolarHBondContact O-N 3.4Å; D316-R325 IonicContact OD1-CZ 2.7Å; D316-R325 IonicContact OD1-NH1 3.75Å; D316-R325 PolarHBondContact OD1-NH1 3.47Å; D316-R325 IonicContact OD1-NH2 3.87Å |
| 317 | R | 94.5 | Very high | 94 | Very high | 128 Ų | 128 | 57.7 Ų | 57.7 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.8 | -43.7 | -179.9 | -70.7 | -171.6 | -59.8 | -98.9 | 5.8 | 112.8 | E245 N313 I314 R319 | E245-R317 VanDerWaalsContact CD-NE 3.34Å; E245-R317 WeakPolarHBondContact OE1-CB 3.41Å; E245-R317 WeakPolarHBondContact OE1-CD 3.38Å; E245-R317 IonicContact OE1-CZ 3.63Å; E245-R317 IonicContact OE1-NE 3.89Å; E245-R317 PolarHBondContact OE1-NE 2.66Å; E245-R317 IonicContact OE1-NH2 2.87Å; E245-R317 IonicContact OE2-CZ 3.8Å; E245-R317 VanDerWaalsContact OE2-CZ 3.3Å; E245-R317 IonicContact OE2-NE 2.81Å; E245-R317 PolarHBondContact OE2-NE 2.8Å; E245-R317 VanDerWaalsContact OE2-NE 3.1Å; E245-R317 IonicContact OE2-NH2 2.81Å; E245-R317 PolarHBondContact OE2-NH2 3.48Å; N313-R317 WeakPolarHBondContact O-CG 3.04Å; N313-R317 PolarHBondContact O-N 3.07Å; N313-R317 VanDerWaalsContact O-N 3.16Å; I314-R317 VanDerWaalsContact CG1-NH2 3.3Å; I314-R317 PolarHBondContact O-N 3.37Å; R317-R319 PolarHBondContact O-N 2.92Å |
| 318 | T | 91.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75 | -12.4 | 176.1 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | E245 L248 L249 I314 E315 | E245-T318 HydrophobicContact CG-CG2 3.92Å; L248-T318 HydrophobicContact CB-CG2 4.12Å; L248-T318 HydrophobicContact CD1-CG2 3.89Å; L249-T318 HydrophobicContact CD2-CG2 4.3Å; L249-T318 HydrophobicContact CG-CG2 4.29Å; I314-T318 HydrophobicContact CG2-CG2 4.05Å; I314-T318 WeakPolarHBondContact O-CB 3.23Å; I314-T318 WeakPolarHBondContact O-CG2 3.44Å; I314-T318 PolarHBondContact O-N 2.62Å; I314-T318 PolarHBondContact O-OG1 3.44Å; E315-T318 WeakPolarHBondContact CA-OG1 3.24Å; E315-T318 PolarHBondContact O-OG1 2.9Å |
| 319 | R | 93.1 | Very high | 93.9 | Very high | 215 Ų | 215 | 59.1 Ų | 59.1 | 81% | 0.811 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 44.4 | 174.5 | -50.5 | 175.3 | -175.8 | 164 | 2.3 | 113.5 | E315 R317 | E315-R319 WeakPolarHBondContact O-CA 2.97Å; E315-R319 PolarHBondContact O-N 3.28Å; R317-R319 PolarHBondContact O-N 2.92Å |
| 320 | V | 89.1 | Confident | 93.8 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | trans | -55.2 | 127.1 | 176 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | E315 F324 R325 | E315-V320 HydrophobicContact CB-CB 4.17Å; E315-V320 HydrophobicContact CB-CG2 4Å; E315-V320 HydrophobicContact CG-CB 4.44Å; E315-V320 HydrophobicContact CG-CG2 4.1Å; E315-V320 PolarHBondContact O-N 3.34Å; V320-F324 HydrophobicContact CG1-CB 4Å; V320-R325 HydrophobicContact CB-CG 4.11Å; V320-R325 HydrophobicContact CG1-CG 3.71Å; V320-R325 WeakPolarHBondContact O-CD 3.37Å | ||
| 321 | P | 87.9 | Confident | 93.8 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 51% | 0.506 | 27% | 0.272 | S | S | . | . | trans | -63.8 | 137.9 | 179 | -21.9 | 32.2 | 0 | 0 | 0 | 112.3 | K323 F324 | P321-K323 PolarHBondContact O-N 3.38Å; P321-F324 HydrophobicContact CB-CD2 4.09Å; P321-F324 HydrophobicContact CB-CE2 4.42Å; P321-F324 HydrophobicContact CG-CD2 4.24Å; P321-F324 HydrophobicContact CG-CE2 4.47Å; P321-F324 PolarHBondContact O-N 3.15Å | ||
| 322 | N | 83.5 | Confident | 93.7 | Very high | 144 Ų | 144 | 57.9 Ų | 57.9 | 77% | 0.77 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -54.6 | -15.4 | -174.9 | -59.2 | 26.2 | 0 | 0 | 0 | 116.2 | F324 | N322-F324 PolarHBondContact O-N 3.47Š|
| 323 | K | 85.3 | Confident | 93.8 | Very high | 114 Ų | 114 | 56.6 Ų | 56.6 | 50% | 0.496 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -66 | -25.2 | 171.4 | -173.3 | 177.4 | -178.4 | -173.7 | 0 | 112.1 | D109 E120 P321 | D109-K323 IonicContact OD1-NZ 3.25Å; D109-K323 PolarHBondContact OD1-NZ 3.05Å; D109-K323 WeakPolarHBondContact OD2-CE 3.09Å; D109-K323 IonicContact OD2-NZ 2.66Å; D109-K323 PolarHBondContact OD2-NZ 2.81Å; E120-K323 IonicContact OE1-NZ 2.98Å; E120-K323 PolarHBondContact OE1-NZ 3.3Å; P321-K323 PolarHBondContact O-N 3.38Å |
| 324 | F | 90.3 | Very high | 93.8 | Very high | 122 Ų | 122 | 54.4 Ų | 54.4 | 54% | 0.535 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -113.5 | 19.5 | -173.7 | -49.4 | -67 | 0 | 0 | 0 | 112.9 | F215 V320 P321 N322 | F215-F324 WeakPolarHBondContact CB-O 3.44Å; V320-F324 HydrophobicContact CG1-CB 4Å; P321-F324 HydrophobicContact CB-CD2 4.09Å; P321-F324 HydrophobicContact CB-CE2 4.42Å; P321-F324 HydrophobicContact CG-CD2 4.24Å; P321-F324 HydrophobicContact CG-CE2 4.47Å; P321-F324 PolarHBondContact O-N 3.15Å; N322-F324 PolarHBondContact O-N 3.47Å |
| 325 | R | 94.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -114 | 158 | 177.5 | -60.4 | -166.3 | 71.4 | 178.3 | 7.9 | 110.3 | Y312 E315 D316 V320 P327 | Y312-R325 VanDerWaalsContact CE2-NH2 3.35Å; Y312-R325 PolarHBondContact O-NH2 2.98Å; E315-R325 VanDerWaalsContact CB-NH2 3.28Å; E315-R325 IonicContact OE2-CZ 2.96Å; E315-R325 IonicContact OE2-NE 3.33Å; E315-R325 PolarHBondContact OE2-NE 3.39Å; E315-R325 IonicContact OE2-NH2 3.61Å; E315-R325 PolarHBondContact OE2-NH2 3.18Å; D316-R325 IonicContact OD1-CZ 2.7Å; D316-R325 IonicContact OD1-NH1 3.75Å; D316-R325 PolarHBondContact OD1-NH1 3.47Å; D316-R325 IonicContact OD1-NH2 3.87Å; V320-R325 HydrophobicContact CB-CG 4.11Å; V320-R325 HydrophobicContact CG1-CG 3.71Å; V320-R325 WeakPolarHBondContact O-CD 3.37Å; R325-P327 WeakPolarHBondContact O-CD 3.48Å |
| 326 | Y | 97.3 | Very high | 94 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | trans | -58.3 | 122.7 | 176.1 | -165.9 | -81.9 | 0 | 0 | 0 | 111.2 | V169 P194 V196 F215 T218 L300 Y329 | V169-Y326 VanDerWaalsContact CG2-OH 3.29Å; V169-Y326 WeakPolarHBondContact CG2-OH 3.22Å; P194-Y326 HydrophobicContact CB-CD1 4.41Å; P194-Y326 HydrophobicContact CB-CE1 3.53Å; P194-Y326 WeakPolarHBondContact CB-OH 3.45Å; P194-Y326 HydrophobicContact CG-CE1 3.73Å; V196-Y326 HydrophobicContact CG2-CD2 4.5Å; V196-Y326 HydrophobicContact CG2-CE2 3.81Å; F215-Y326 AromaticContact CD2-CD2 3.91Å; F215-Y326 HydrophobicContact CD2-CD2 3.91Å; F215-Y326 HydrophobicContact CD2-CG 4.36Å; F215-Y326 AromaticContact CE2-CD2 3.84Å; F215-Y326 HydrophobicContact CE2-CD2 3.84Å; T218-Y326 HydrophobicContact CG2-CD2 3.66Å; T218-Y326 HydrophobicContact CG2-CE2 3.73Å; L300-Y326 HydrophobicContact CD1-CD1 4.16Å; L300-Y326 HydrophobicContact CD1-CD2 3.93Å; L300-Y326 HydrophobicContact CD1-CE1 3.78Å; L300-Y326 HydrophobicContact CD1-CE2 3.53Å; L300-Y326 HydrophobicContact CD1-CG 4.24Å; L300-Y326 VanDerWaalsContact CD1-CZ 3.45Å; L300-Y326 HydrophobicContact CG-CD2 4.23Å; L300-Y326 HydrophobicContact CG-CE2 3.71Å; Y326-Y329 AromaticContact CD1-CD2 3.76Å; Y326-Y329 HydrophobicContact CD1-CD2 3.76Å; Y326-Y329 HydrophobicContact CD1-CG 4.35Å; Y326-Y329 AromaticContact CG-CD2 3.82Å; Y326-Y329 HydrophobicContact CG-CD2 3.82Å | ||
| 327 | P | 96.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 137.4 | 177.9 | -19.1 | 31.8 | 0 | 0 | 0 | 111.6 | I188 M191 P194 V196 R325 Y329 | I188-P327 HydrophobicContact CD1-CB 4.03Å; M191-P327 HydrophobicContact SD-CB 3.78Å; M191-P327 HydrophobicContact SD-CG 3.86Å; P194-P327 WeakPolarHBondContact CG-O 3.28Å; V196-P327 HydrophobicContact CG1-CG 4.29Å; R325-P327 WeakPolarHBondContact O-CD 3.48Å; P327-Y329 VanDerWaalsContact C-N 3.31Å; P327-Y329 PolarHBondContact O-N 2.67Å |
| 328 | F | 96.3 | Very high | 94.4 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 24% | 0.237 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 39.3 | 174.2 | -41.5 | -68.1 | 0 | 0 | 0 | 114.6 | W173 I188 M191 P194 E331 M332 | W173-F328 HydrophobicContact CH2-CB 3.7Å; W173-F328 HydrophobicContact CH2-CD2 4.3Å; W173-F328 HydrophobicContact CH2-CG 4.07Å; W173-F328 HydrophobicContact CZ3-CB 4.02Å; I188-F328 HydrophobicContact CD1-CE1 4.43Å; I188-F328 HydrophobicContact CD1-CE2 4.18Å; I188-F328 HydrophobicContact CD1-CZ 3.86Å; M191-F328 HydrophobicContact CB-CE2 4.33Å; M191-F328 HydrophobicContact CG-CE2 3.97Å; M191-F328 WeakPolarHBondContact O-CZ 3.32Å; M191-F328 HydrophobicContact SD-CE2 4.01Å; P194-F328 HydrophobicContact CG-CB 4.35Å; P194-F328 HydrophobicContact CG-CD2 4.27Å; F328-E331 VanDerWaalsContact CA-OE2 3.22Å; F328-E331 WeakPolarHBondContact CA-OE2 3.34Å; F328-E331 HydrophobicContact CB-CB 4Å; F328-E331 HydrophobicContact CB-CG 4.28Å; F328-M332 WeakPolarHBondContact O-CB 3.45Å; F328-M332 PolarHBondContact O-N 3.44Å |
| 329 | Y | 97.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | -171.3 | -174.8 | -91.8 | 0 | 0 | 0 | 114.3 | G216 L300 Q308 L309 Y312 Y326 P327 E331 M332 C333 | G216-Y329 WeakPolarHBondContact O-CE2 3.33Å; L300-Y329 HydrophobicContact CD1-CD2 3.95Å; L300-Y329 HydrophobicContact CD1-CE2 3.8Å; L300-Y329 HydrophobicContact CD2-CE2 4.28Å; Q308-Y329 WeakPolarHBondContact CB-OH 3.44Å; Q308-Y329 PolarHBondContact O-OH 3.05Å; Q308-Y329 VanDerWaalsContact O-OH 3.07Å; L309-Y329 HydrophobicContact CD2-CE1 4.03Å; L309-Y329 PolarHBondContact N-OH 3.34Å; Y312-Y329 HydrophobicContact CD1-CD1 4.34Å; Y312-Y329 HydrophobicContact CD1-CE1 4.34Å; Y312-Y329 AromaticContact CD2-CD1 3.34Å; Y312-Y329 HydrophobicContact CD2-CD1 3.34Å; Y312-Y329 AromaticContact CD2-CD2 3.74Å; Y312-Y329 HydrophobicContact CD2-CD2 3.74Å; Y312-Y329 AromaticContact CD2-CE1 3.53Å; Y312-Y329 HydrophobicContact CD2-CE1 3.53Å; Y312-Y329 AromaticContact CD2-CE2 3.89Å; Y312-Y329 HydrophobicContact CD2-CE2 3.89Å; Y312-Y329 AromaticContact CD2-CG 3.44Å; Y312-Y329 HydrophobicContact CD2-CG 3.44Å; Y312-Y329 VanDerWaalsContact CD2-CG 3.44Å; Y312-Y329 AromaticContact CD2-CZ 3.79Å; Y312-Y329 HydrophobicContact CE1-CD1 4.43Å; Y312-Y329 VanDerWaalsContact CE2-CB 3.47Å; Y312-Y329 AromaticContact CE2-CD1 3.43Å; Y312-Y329 HydrophobicContact CE2-CD1 3.43Å; Y312-Y329 VanDerWaalsContact CE2-CD1 3.43Å; Y312-Y329 HydrophobicContact CE2-CD2 4Å; Y312-Y329 HydrophobicContact CE2-CE1 4.12Å; Y312-Y329 AromaticContact CE2-CG 3.35Å; Y312-Y329 HydrophobicContact CE2-CG 3.35Å; Y312-Y329 AromaticContact CG-CD1 3.82Å; Y312-Y329 HydrophobicContact CG-CD1 3.82Å; Y312-Y329 AromaticContact CG-CE1 3.65Å; Y312-Y329 HydrophobicContact CG-CE1 3.65Å; Y312-Y329 HydrophobicContact CG-CG 4.36Å; Y312-Y329 AromaticContact CZ-CD1 3.99Å; Y326-Y329 AromaticContact CD1-CD2 3.76Å; Y326-Y329 HydrophobicContact CD1-CD2 3.76Å; Y326-Y329 HydrophobicContact CD1-CG 4.35Å; Y326-Y329 AromaticContact CG-CD2 3.82Å; Y326-Y329 HydrophobicContact CG-CD2 3.82Å; P327-Y329 VanDerWaalsContact C-N 3.31Å; P327-Y329 PolarHBondContact O-N 2.67Å; Y329-E331 PolarHBondContact N-OE2 2.9Å; Y329-M332 PolarHBondContact O-N 3.48Å; Y329-C333 PolarHBondContact O-N 2.65Å; Y329-C333 VanDerWaalsContact O-N 3.1Å; Y329-C333 PolarHBondContact O-SG 3.2Å |
| 330 | Y | 97.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 33 Ų | 33 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -77.5 | -33.8 | 179.5 | -70.3 | -58.7 | 0 | 0 | 0 | 111.1 | Y312 M332 C333 W334 K467 L468 L471 | Y312-Y330 HydrophobicContact CD1-CE2 4.22Å; Y312-Y330 AromaticContact CD1-CZ 3.8Å; Y312-Y330 VanDerWaalsContact CD1-OH 3.31Å; Y312-Y330 WeakPolarHBondContact CD1-OH 3.43Å; Y312-Y330 HydrophobicContact CE1-CD2 4.34Å; Y312-Y330 HydrophobicContact CE1-CE1 4.42Å; Y312-Y330 AromaticContact CE1-CE2 3.38Å; Y312-Y330 HydrophobicContact CE1-CE2 3.38Å; Y312-Y330 AromaticContact CE1-CZ 3.43Å; Y312-Y330 VanDerWaalsContact CE1-CZ 3.43Å; Y312-Y330 VanDerWaalsContact CE1-OH 3.22Å; Y312-Y330 WeakPolarHBondContact CE1-OH 3.25Å; Y312-Y330 AromaticContact CZ-CE2 3.78Å; Y330-M332 VanDerWaalsContact C-N 3.26Å; Y330-M332 PolarHBondContact O-N 3.31Å; Y330-C333 WeakPolarHBondContact O-CB 3.07Å; Y330-C333 PolarHBondContact O-N 3.04Å; Y330-C333 VanDerWaalsContact O-N 3.1Å; Y330-W334 PolarHBondContact O-N 2.91Å; Y330-K467 HydrophobicContact CE1-CG 4.15Å; Y330-K467 WeakPolarHBondContact OH-CE 3.42Å; Y330-K467 PolarHBondContact OH-NZ 3.14Å; Y330-L468 HydrophobicContact CD1-CD2 4.1Å; Y330-L471 HydrophobicContact CD1-CD1 3.78Å; Y330-L471 HydrophobicContact CD2-CD1 4.21Å; Y330-L471 HydrophobicContact CE1-CD1 3.87Å; Y330-L471 HydrophobicContact CE1-CD2 4.46Å; Y330-L471 HydrophobicContact CE2-CD1 4.3Å; Y330-L471 HydrophobicContact CE2-CD2 4.27Å; Y330-L471 HydrophobicContact CG-CD1 3.96Å |
| 331 | E | 97.1 | Very high | 95.2 | Very high | 49 Ų | 49 | 31 Ų | 31 | 23% | 0.229 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.5 | -41.1 | 169.8 | -60.3 | 84.4 | 155.2 | 0 | 0 | 111.2 | W173 F328 Y329 W334 Y335 C477 P479 | W173-E331 HydrophobicContact CH2-CB 4.29Å; W173-E331 HydrophobicContact CZ3-CB 4.17Å; F328-E331 VanDerWaalsContact CA-OE2 3.22Å; F328-E331 WeakPolarHBondContact CA-OE2 3.34Å; F328-E331 HydrophobicContact CB-CB 4Å; F328-E331 HydrophobicContact CB-CG 4.28Å; Y329-E331 PolarHBondContact N-OE2 2.9Å; E331-W334 PolarHBondContact O-N 3.18Å; E331-Y335 WeakPolarHBondContact O-CD2 3.47Å; E331-Y335 PolarHBondContact O-N 3.17Å; E331-C477 HydrophobicContact CG-CB 4.28Å; E331-P479 HydrophobicContact CB-CB 4.24Å |
| 332 | M | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 172.1 | -179.4 | 65 | 77.5 | 0 | 0 | 111.8 | W168 V169 M172 W173 P194 F328 Y329 Y330 W334 Y335 V336 | W168-M332 HydrophobicContact CB-CE 4.36Å; W168-M332 HydrophobicContact CB-CG 4.17Å; W168-M332 HydrophobicContact CB-SD 3.83Å; W168-M332 HydrophobicContact CD2-CG 4.38Å; W168-M332 HydrophobicContact CE3-CG 3.64Å; W168-M332 HydrophobicContact CZ3-CG 4.37Å; V169-M332 HydrophobicContact CG2-CE 3.94Å; M172-M332 HydrophobicContact CB-SD 3.94Å; W173-M332 HydrophobicContact CB-CE 4.04Å; W173-M332 HydrophobicContact CD2-CE 4.26Å; W173-M332 HydrophobicContact CE3-CE 3.61Å; W173-M332 HydrophobicContact CE3-SD 4.04Å; W173-M332 HydrophobicContact CG-CE 4.48Å; W173-M332 HydrophobicContact CZ3-CB 4.43Å; W173-M332 HydrophobicContact CZ3-CE 4.42Å; P194-M332 HydrophobicContact CG-CE 3.72Å; F328-M332 WeakPolarHBondContact O-CB 3.45Å; F328-M332 PolarHBondContact O-N 3.44Å; Y329-M332 PolarHBondContact O-N 3.48Å; Y330-M332 VanDerWaalsContact C-N 3.26Å; Y330-M332 PolarHBondContact O-N 3.31Å; M332-W334 PolarHBondContact O-N 3.01Å; M332-Y335 PolarHBondContact O-N 3.46Å; M332-Y335 VanDerWaalsContact O-N 3.12Å; M332-V336 WeakPolarHBondContact O-CG2 3.46Å; M332-V336 PolarHBondContact O-N 3.06Å |
| 333 | C | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.6 | -37.6 | 176.9 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | Y329 Y330 V336 L337 L464 L468 | Y329-C333 PolarHBondContact O-N 2.65Å; Y329-C333 VanDerWaalsContact O-N 3.1Å; Y329-C333 PolarHBondContact O-SG 3.2Å; Y330-C333 WeakPolarHBondContact O-CB 3.07Å; Y330-C333 PolarHBondContact O-N 3.04Å; Y330-C333 VanDerWaalsContact O-N 3.1Å; C333-V336 WeakPolarHBondContact O-CB 3.41Å; C333-V336 PolarHBondContact O-N 2.93Å; C333-L337 PolarHBondContact O-N 3.15Å; C333-L464 HydrophobicContact CB-CD2 3.87Å; C333-L468 HydrophobicContact CB-CD1 4.28Å; C333-L468 HydrophobicContact CB-CD2 4.41Å |
| 334 | W | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 173.6 | -80.3 | 113.5 | 0 | 0 | 0 | 113 | Y330 E331 M332 V336 L337 E338 L468 K476 C477 V478 P479 I482 E485 L488 I489 | Y330-W334 PolarHBondContact O-N 2.91Å; E331-W334 PolarHBondContact O-N 3.18Å; M332-W334 PolarHBondContact O-N 3.01Å; W334-V336 VanDerWaalsContact C-N 3.32Å; W334-V336 PolarHBondContact O-N 3.36Å; W334-L337 PolarHBondContact O-N 2.91Å; W334-E338 PolarHBondContact O-N 2.86Å; W334-E338 VanDerWaalsContact O-N 3.12Å; W334-L468 HydrophobicContact CD2-CD1 3.88Å; W334-L468 HydrophobicContact CE3-CD1 4.12Å; W334-L468 HydrophobicContact CG-CD1 4.33Å; W334-L468 HydrophobicContact CH2-CB 4.24Å; W334-L468 HydrophobicContact CH2-CD1 4.38Å; W334-L468 HydrophobicContact CZ2-CB 3.94Å; W334-L468 HydrophobicContact CZ2-CD1 4.16Å; W334-L468 HydrophobicContact CZ2-CD2 4.25Å; W334-L468 HydrophobicContact CZ2-CG 4.34Å; W334-L468 HydrophobicContact CZ3-CD1 4.36Å; W334-K476 PolarHBondContact NE1-O 2.8Å; W334-C477 VanDerWaalsContact CD1-O 3.28Å; W334-V478 HydrophobicContact CZ2-CG2 3.96Å; W334-P479 VanDerWaalsContact CB-CD 3.41Å; W334-P479 HydrophobicContact CB-CG 3.84Å; W334-I482 HydrophobicContact CB-CD1 3.79Å; W334-I482 HydrophobicContact CE3-CD1 4.45Å; W334-E485 HydrophobicContact CH2-CB 3.7Å; W334-E485 HydrophobicContact CH2-CG 4.49Å; W334-E485 HydrophobicContact CZ2-CB 4.27Å; W334-E485 HydrophobicContact CZ3-CB 3.86Å; W334-L488 HydrophobicContact CE3-CD2 4.06Å; W334-L488 HydrophobicContact CZ3-CD2 4.39Å; W334-I489 HydrophobicContact CH2-CD1 4.01Å; W334-I489 HydrophobicContact CH2-CG1 3.77Å; W334-I489 HydrophobicContact CZ3-CD1 3.97Å; W334-I489 HydrophobicContact CZ3-CG1 3.79Å |
| 335 | Y | 97.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.9 | -34.7 | 174.6 | -71.6 | -56.2 | 0 | 0 | 0 | 112.4 | W173 P174 E331 M332 L337 E338 R339 L350 F354 P479 | W173-Y335 HydrophobicContact CD2-CD2 4.32Å; W173-Y335 HydrophobicContact CD2-CE2 4.32Å; W173-Y335 AromaticContact CE3-CD2 3.65Å; W173-Y335 HydrophobicContact CE3-CD2 3.65Å; W173-Y335 AromaticContact CE3-CE2 3.91Å; W173-Y335 HydrophobicContact CE3-CE2 3.91Å; W173-Y335 HydrophobicContact CH2-CE2 4.15Å; W173-Y335 AromaticContact CZ3-CD2 3.8Å; W173-Y335 HydrophobicContact CZ3-CD2 3.8Å; W173-Y335 AromaticContact CZ3-CE2 3.83Å; W173-Y335 HydrophobicContact CZ3-CE2 3.83Å; P174-Y335 HydrophobicContact CG-CD1 4.02Å; P174-Y335 HydrophobicContact CG-CD2 4.44Å; P174-Y335 HydrophobicContact CG-CE1 3.5Å; P174-Y335 HydrophobicContact CG-CE2 3.96Å; P174-Y335 HydrophobicContact CG-CG 4.47Å; P174-Y335 VanDerWaalsContact CG-CZ 3.45Å; E331-Y335 WeakPolarHBondContact O-CD2 3.47Å; E331-Y335 PolarHBondContact O-N 3.17Å; M332-Y335 PolarHBondContact O-N 3.46Å; M332-Y335 VanDerWaalsContact O-N 3.12Å; Y335-L337 VanDerWaalsContact C-N 3.34Å; Y335-L337 PolarHBondContact O-N 3.32Å; Y335-E338 PolarHBondContact O-N 3.04Å; Y335-R339 VanDerWaalsContact O-CB 3.28Å; Y335-R339 WeakPolarHBondContact O-CB 3.42Å; Y335-R339 WeakPolarHBondContact O-CG 3.48Å; Y335-R339 PolarHBondContact O-N 2.94Å; Y335-L350 HydrophobicContact CD1-CD2 3.95Å; Y335-L350 HydrophobicContact CE1-CD2 3.71Å; Y335-F354 WeakPolarHBondContact OH-CE1 3.43Å; Y335-P479 HydrophobicContact CD1-CG 4.34Å; Y335-P479 HydrophobicContact CD2-CB 4.37Å; Y335-P479 HydrophobicContact CD2-CG 4.15Å; Y335-P479 HydrophobicContact CE1-CB 4.32Å; Y335-P479 HydrophobicContact CE1-CG 3.97Å; Y335-P479 HydrophobicContact CE2-CB 3.59Å; Y335-P479 HydrophobicContact CE2-CG 3.79Å; Y335-P479 HydrophobicContact CG-CG 4.42Å |
| 336 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 172.7 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | W168 M172 M332 C333 W334 R339 Y340 L464 | W168-V336 HydrophobicContact CD2-CG2 3.51Å; W168-V336 VanDerWaalsContact CE2-CG2 3.49Å; W168-V336 HydrophobicContact CE3-CG2 3.77Å; W168-V336 HydrophobicContact CG-CG2 3.99Å; W168-V336 HydrophobicContact CH2-CG2 3.97Å; W168-V336 HydrophobicContact CZ2-CB 4.43Å; W168-V336 HydrophobicContact CZ2-CG1 4Å; W168-V336 HydrophobicContact CZ2-CG2 3.72Å; W168-V336 HydrophobicContact CZ3-CG2 4Å; M172-V336 HydrophobicContact CB-CG2 4.1Å; M172-V336 HydrophobicContact CG-CG2 3.75Å; M172-V336 HydrophobicContact SD-CB 4.29Å; M172-V336 HydrophobicContact SD-CG1 4.34Å; M172-V336 HydrophobicContact SD-CG2 4.03Å; M332-V336 WeakPolarHBondContact O-CG2 3.46Å; M332-V336 PolarHBondContact O-N 3.06Å; C333-V336 WeakPolarHBondContact O-CB 3.41Å; C333-V336 PolarHBondContact O-N 2.93Å; W334-V336 VanDerWaalsContact C-N 3.32Å; W334-V336 PolarHBondContact O-N 3.36Å; V336-R339 PolarHBondContact O-N 3.34Å; V336-Y340 HydrophobicContact CG1-CD2 3.99Å; V336-Y340 HydrophobicContact CG1-CE2 4.1Å; V336-Y340 WeakPolarHBondContact O-CD2 3.33Å; V336-Y340 PolarHBondContact O-N 2.95Å; V336-L464 HydrophobicContact CB-CD1 4.11Å; V336-L464 HydrophobicContact CG1-CD1 3.74Å |
| 337 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 178.4 | -69.3 | -168.6 | 0 | 0 | 0 | 112.6 | C333 W334 Y335 R339 Y340 V341 L461 L464 V465 L468 L488 I489 V492 | C333-L337 PolarHBondContact O-N 3.15Å; W334-L337 PolarHBondContact O-N 2.91Å; Y335-L337 VanDerWaalsContact C-N 3.34Å; Y335-L337 PolarHBondContact O-N 3.32Å; L337-R339 VanDerWaalsContact C-N 3.28Å; L337-R339 PolarHBondContact O-N 2.99Å; L337-Y340 PolarHBondContact O-N 3.29Å; L337-V341 WeakPolarHBondContact O-CG2 3.41Å; L337-V341 PolarHBondContact O-N 3.44Å; L337-V341 VanDerWaalsContact O-N 3.1Å; L337-L461 HydrophobicContact CD2-CD2 3.69Å; L337-L464 HydrophobicContact CD1-CB 4.5Å; L337-L464 HydrophobicContact CD2-CB 3.94Å; L337-L464 HydrophobicContact CD2-CD1 3.85Å; L337-L464 HydrophobicContact CG-CB 4.37Å; L337-L464 HydrophobicContact CG-CD1 4.24Å; L337-V465 HydrophobicContact CD1-CG2 4.22Å; L337-L468 HydrophobicContact CD1-CD1 3.72Å; L337-L468 HydrophobicContact CG-CD1 4.45Å; L337-L488 HydrophobicContact CB-CD1 4.47Å; L337-L488 HydrophobicContact CB-CD2 4.24Å; L337-L488 HydrophobicContact CB-CG 4.38Å; L337-I489 HydrophobicContact CD1-CD1 3.79Å; L337-V492 HydrophobicContact CB-CG2 4.04Å; L337-V492 HydrophobicContact CD1-CG2 4.33Å; L337-V492 HydrophobicContact CD2-CG1 4.09Å; L337-V492 HydrophobicContact CD2-CG2 4.11Å; L337-V492 HydrophobicContact CG-CG2 4.39Å |
| 338 | E | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 177.3 | -164.8 | -75.9 | 158.2 | 0 | 0 | 111.5 | W334 Y335 V341 Y342 S348 H349 L350 L488 | W334-E338 PolarHBondContact O-N 2.86Å; W334-E338 VanDerWaalsContact O-N 3.12Å; Y335-E338 PolarHBondContact O-N 3.04Å; E338-V341 PolarHBondContact O-N 2.62Å; E338-Y342 WeakPolarHBondContact O-CB 2.98Å; E338-Y342 PolarHBondContact O-N 3.34Å; E338-S348 WeakPolarHBondContact OE1-CA 3.44Å; E338-S348 WeakPolarHBondContact OE1-CB 3.48Å; E338-S348 PolarHBondContact OE1-OG 3.41Å; E338-H349 HydrophobicContact CG-CB 4.05Å; E338-H349 PolarHBondContact OE1-N 3.29Å; E338-L350 HydrophobicContact CG-CD2 4.16Å; E338-L350 HydrophobicContact CG-CG 3.99Å; E338-L350 PolarHBondContact OE1-N 3.1Å; E338-L488 HydrophobicContact CB-CD1 4.45Å; E338-L488 HydrophobicContact CB-CD2 4.07Å |
| 339 | R | 96.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.2 | -35.4 | -174.3 | -68 | -74 | -59.5 | 123 | 1 | 112.8 | N171 M172 Y335 V336 L337 C343 V514 Q515 W516 | N171-R339 PolarHBondContact O-NE 3.25Å; M172-R339 HydrophobicContact SD-CB 3.92Å; M172-R339 HydrophobicContact SD-CG 4.47Å; Y335-R339 VanDerWaalsContact O-CB 3.28Å; Y335-R339 WeakPolarHBondContact O-CB 3.42Å; Y335-R339 WeakPolarHBondContact O-CG 3.48Å; Y335-R339 PolarHBondContact O-N 2.94Å; V336-R339 PolarHBondContact O-N 3.34Å; L337-R339 VanDerWaalsContact C-N 3.28Å; L337-R339 PolarHBondContact O-N 2.99Å; R339-C343 PolarHBondContact NH1-SG 3.47Å; R339-C343 VanDerWaalsContact NH1-SG 3.36Å; R339-C343 VanDerWaalsContact O-CB 3.28Å; R339-C343 WeakPolarHBondContact O-CB 3.25Å; R339-C343 PolarHBondContact O-N 3.25Å; R339-V514 HydrophobicContact CB-CG1 3.9Å; R339-V514 HydrophobicContact CB-CG2 4.49Å; R339-Q515 PolarHBondContact NH2-O 3.46Å; R339-W516 VanDerWaalsContact CD-CH2 3.48Å |
| 340 | Y | 96.9 | Very high | 96 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.2 | -46.6 | 170.4 | -90.6 | -92.2 | 0 | 0 | 0 | 111.6 | M172 S302 V336 L337 Y342 C343 I344 L453 E457 L461 I513 V514 | M172-Y340 HydrophobicContact CE-CE2 3.92Å; S302-Y340 WeakPolarHBondContact CB-OH 3.2Å; S302-Y340 PolarHBondContact OG-OH 2.98Å; V336-Y340 HydrophobicContact CG1-CD2 3.99Å; V336-Y340 HydrophobicContact CG1-CE2 4.1Å; V336-Y340 WeakPolarHBondContact O-CD2 3.33Å; V336-Y340 PolarHBondContact O-N 2.95Å; L337-Y340 PolarHBondContact O-N 3.29Å; Y340-Y342 PolarHBondContact O-N 3.19Å; Y340-C343 PolarHBondContact O-N 3.17Å; Y340-I344 HydrophobicContact CD1-CD1 4.14Å; Y340-I344 WeakPolarHBondContact O-CB 3.21Å; Y340-I344 VanDerWaalsContact O-CG1 3.3Å; Y340-I344 WeakPolarHBondContact O-CG1 3.49Å; Y340-I344 PolarHBondContact O-N 2.84Å; Y340-L453 HydrophobicContact CD1-CD1 4.44Å; Y340-L453 HydrophobicContact CE1-CD2 4.17Å; Y340-E457 WeakPolarHBondContact CE1-OE1 3.05Å; Y340-E457 PolarHBondContact OH-OE1 3.11Å; Y340-L461 HydrophobicContact CD1-CD1 3.81Å; Y340-L461 HydrophobicContact CD1-CD2 4.46Å; Y340-L461 HydrophobicContact CD2-CD2 3.92Å; Y340-L461 HydrophobicContact CE1-CD1 4.2Å; Y340-L461 HydrophobicContact CE2-CD2 4.43Å; Y340-L461 HydrophobicContact CG-CD1 4.08Å; Y340-L461 HydrophobicContact CG-CD2 3.95Å; Y340-I513 HydrophobicContact CD1-CG2 3.97Å; Y340-I513 HydrophobicContact CE1-CG2 3.43Å; Y340-I513 VanDerWaalsContact CE1-CG2 3.43Å; Y340-V514 HydrophobicContact CD1-CG2 4.19Å; Y340-V514 HydrophobicContact CD2-CG2 3.62Å; Y340-V514 HydrophobicContact CE1-CG2 4.22Å; Y340-V514 HydrophobicContact CE2-CG2 3.64Å; Y340-V514 HydrophobicContact CG-CG2 3.89Å |
| 341 | V | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 176.5 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L337 E338 I344 T345 L488 D491 V492 L495 | L337-V341 WeakPolarHBondContact O-CG2 3.41Å; L337-V341 PolarHBondContact O-N 3.44Å; L337-V341 VanDerWaalsContact O-N 3.1Å; E338-V341 PolarHBondContact O-N 2.62Å; V341-I344 PolarHBondContact O-N 3.36Å; V341-T345 HydrophobicContact CG1-CG2 4.37Å; V341-T345 WeakPolarHBondContact O-CB 2.99Å; V341-T345 PolarHBondContact O-N 3.4Å; V341-T345 PolarHBondContact O-OG1 3.26Å; V341-L488 HydrophobicContact CB-CD1 4.27Å; V341-L488 HydrophobicContact CG2-CD1 3.92Å; V341-D491 HydrophobicContact CG1-CB 4.12Å; V341-D491 HydrophobicContact CG2-CB 4.34Å; V341-V492 HydrophobicContact CG2-CB 4.47Å; V341-V492 HydrophobicContact CG2-CG2 3.47Å; V341-V492 VanDerWaalsContact CG2-CG2 3.47Å; V341-L495 HydrophobicContact CG2-CD1 4.3Å |
| 342 | Y | 95.2 | Very high | 95.5 | Very high | 80 Ų | 80 | 33.4 Ų | 33.4 | 31% | 0.314 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.6 | -48.3 | 179.4 | -178.5 | -101.4 | 0 | 0 | 0 | 113 | E338 Y340 I344 N346 R347 | E338-Y342 WeakPolarHBondContact O-CB 2.98Å; E338-Y342 PolarHBondContact O-N 3.34Å; Y340-Y342 PolarHBondContact O-N 3.19Å; Y342-I344 PolarHBondContact O-N 3.27Å; Y342-N346 WeakPolarHBondContact O-CA 3.47Å; Y342-N346 PolarHBondContact O-N 3.07Å; Y342-R347 WeakPolarHBondContact CA-O 3.47Å |
| 343 | C | 94.1 | Very high | 95.2 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.8 | -17.6 | -177.8 | -77.6 | 0 | 0 | 0 | 0 | 114.1 | R339 Y340 | R339-C343 PolarHBondContact NH1-SG 3.47Å; R339-C343 VanDerWaalsContact NH1-SG 3.36Å; R339-C343 VanDerWaalsContact O-CB 3.28Å; R339-C343 WeakPolarHBondContact O-CB 3.25Å; R339-C343 PolarHBondContact O-N 3.25Å; Y340-C343 PolarHBondContact O-N 3.17Å |
| 344 | I | 93.6 | Very high | 95 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -101.7 | -44.7 | -179.9 | -64.4 | 172.2 | 0 | 0 | 0 | 111.8 | Y340 V341 Y342 V451 L453 L495 L499 I513 | Y340-I344 HydrophobicContact CD1-CD1 4.14Å; Y340-I344 WeakPolarHBondContact O-CB 3.21Å; Y340-I344 VanDerWaalsContact O-CG1 3.3Å; Y340-I344 WeakPolarHBondContact O-CG1 3.49Å; Y340-I344 PolarHBondContact O-N 2.84Å; V341-I344 PolarHBondContact O-N 3.36Å; Y342-I344 PolarHBondContact O-N 3.27Å; I344-V451 HydrophobicContact CD1-CG1 4.4Å; I344-V451 HydrophobicContact CG1-CG1 4.27Å; I344-V451 HydrophobicContact CG2-CB 4.45Å; I344-V451 HydrophobicContact CG2-CG2 4.31Å; I344-L453 HydrophobicContact CD1-CD1 4.08Å; I344-L453 HydrophobicContact CD1-CD2 4.18Å; I344-L453 HydrophobicContact CD1-CG 4.47Å; I344-L495 HydrophobicContact CB-CD1 3.99Å; I344-L495 HydrophobicContact CD1-CD1 4.05Å; I344-L495 HydrophobicContact CD1-CD2 4.31Å; I344-L495 HydrophobicContact CG2-CD1 3.92Å; I344-L495 HydrophobicContact CG2-CG 4.48Å; I344-L499 HydrophobicContact CD1-CD1 4.07Å; I344-L499 HydrophobicContact CG2-CD1 4.27Å; I344-I513 HydrophobicContact CD1-CG1 4.31Å; I344-I513 HydrophobicContact CG1-CD1 4.45Å; I344-I513 HydrophobicContact CG1-CG1 3.83Å |
| 345 | T | 93.2 | Very high | 94.5 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 41% | 0.405 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -102 | -11.8 | -173.4 | 71.9 | 0 | 0 | 0 | 0 | 114.2 | V341 R347 L495 | V341-T345 HydrophobicContact CG1-CG2 4.37Å; V341-T345 WeakPolarHBondContact O-CB 2.99Å; V341-T345 PolarHBondContact O-N 3.4Å; V341-T345 PolarHBondContact O-OG1 3.26Å; T345-R347 PolarHBondContact O-N 3.3Å; T345-R347 WeakPolarHBondContact OG1-CB 3.38Å; T345-R347 PolarHBondContact OG1-N 3.41Å; T345-R347 VanDerWaalsContact OG1-N 3.16Å; T345-L495 HydrophobicContact CG2-CD1 4.06Å |
| 346 | N | 92.3 | Very high | 94.1 | Very high | 126 Ų | 126 | 49.8 Ų | 49.8 | 67% | 0.674 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 59.6 | 15.1 | -169.6 | -160.7 | 63.5 | 0 | 0 | 0 | 114.8 | Y342 | Y342-N346 WeakPolarHBondContact O-CA 3.47Å; Y342-N346 PolarHBondContact O-N 3.07Å |
| 347 | R | 92.9 | Very high | 93.7 | Very high | 123 Ų | 123 | 53.5 Ų | 53.5 | 46% | 0.464 | 26% | 0.255 | S | S | . | . | trans | -97.3 | 118.7 | 171.2 | 179.2 | 172.9 | 167.6 | -157.3 | -14.3 | 109.9 | Y342 T345 H349 D491 | Y342-R347 WeakPolarHBondContact CA-O 3.47Å; T345-R347 PolarHBondContact O-N 3.3Å; T345-R347 WeakPolarHBondContact OG1-CB 3.38Å; T345-R347 PolarHBondContact OG1-N 3.41Å; T345-R347 VanDerWaalsContact OG1-N 3.16Å; R347-H349 PolarHBondContact NH2-CE1 3.21Å; R347-D491 VanDerWaalsContact CD-OD2 3.28Å; R347-D491 WeakPolarHBondContact CD-OD2 3.28Å; R347-D491 VanDerWaalsContact CZ-CG 3.43Å; R347-D491 IonicContact CZ-OD1 3.68Å; R347-D491 IonicContact CZ-OD2 2.69Å; R347-D491 IonicContact NE-OD2 2.8Å; R347-D491 PolarHBondContact NE-OD2 3.13Å; R347-D491 IonicContact NH1-OD1 3.06Å; R347-D491 PolarHBondContact NH1-OD1 2.73Å; R347-D491 IonicContact NH1-OD2 2.82Å; R347-D491 PolarHBondContact NH1-OD2 3.04Å; R347-D491 IonicContact NH2-OD1 3.81Å; R347-D491 PolarHBondContact NH2-OD1 3.18Å; R347-D491 IonicContact NH2-OD2 3.21Å; R347-D491 PolarHBondContact NH2-OD2 3.4Å | ||
| 348 | S | 94.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | trans | -93.7 | 138.3 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | E338 L350 | E338-S348 WeakPolarHBondContact OE1-CA 3.44Å; E338-S348 WeakPolarHBondContact OE1-CB 3.48Å; E338-S348 PolarHBondContact OE1-OG 3.41Å; S348-L350 WeakPolarHBondContact OG-CB 3.5Å; S348-L350 PolarHBondContact OG-N 3.34Å; S348-L350 VanDerWaalsContact OG-N 3.13Å | ||
| 349 | H | 95.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | trans | -104.9 | 6.3 | 170.2 | -62.6 | -105.5 | 0 | 0 | 0 | 112.2 | E338 R347 I482 E483 A487 L488 D491 | E338-H349 HydrophobicContact CG-CB 4.05Å; E338-H349 PolarHBondContact OE1-N 3.29Å; R347-H349 PolarHBondContact NH2-CE1 3.21Å; H349-I482 WeakPolarHBondContact O-CA 3.35Å; H349-E483 PolarHBondContact O-N 3.1Å; H349-A487 PolarHBondContact CE1-O 3.05Å; H349-L488 HydrophobicContact CB-CB 4.21Å; H349-L488 HydrophobicContact CB-CD1 4.23Å; H349-D491 IonicContact CE1-OD2 3.97Å; H349-D491 PolarHBondContact CE1-OD2 3.45Å; H349-D491 VanDerWaalsContact CE1-OD2 3.25Å; H349-D491 IonicContact NE2-OD2 2.78Å; H349-D491 PolarHBondContact NE2-OD2 2.67Å | ||
| 350 | L | 94.9 | Very high | 92 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 155.8 | 170 | -67.3 | 175.8 | 0 | 0 | 0 | 112 | Y335 E338 S348 F354 Q355 G481 I482 | Y335-L350 HydrophobicContact CD1-CD2 3.95Å; Y335-L350 HydrophobicContact CE1-CD2 3.71Å; E338-L350 HydrophobicContact CG-CD2 4.16Å; E338-L350 HydrophobicContact CG-CG 3.99Å; E338-L350 PolarHBondContact OE1-N 3.1Å; S348-L350 WeakPolarHBondContact OG-CB 3.5Å; S348-L350 PolarHBondContact OG-N 3.34Å; S348-L350 VanDerWaalsContact OG-N 3.13Å; L350-F354 HydrophobicContact CB-CB 4.03Å; L350-F354 HydrophobicContact CD1-CB 4.43Å; L350-Q355 HydrophobicContact CB-CG 4.02Å; L350-Q355 PolarHBondContact O-NE2 2.74Å; L350-G481 CarbonylContact C-O 3.45Å; L350-G481 WeakPolarHBondContact CA-O 3.12Å; L350-G481 WeakPolarHBondContact CD2-O 3.28Å; L350-I482 HydrophobicContact CD2-CG1 4.45Å |
| 351 | T | 94.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | trans | -65.3 | 153.9 | 175.7 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | E353 F354 Q355 G481 E483 | T351-E353 PolarHBondContact O-N 2.96Å; T351-E353 VanDerWaalsContact O-N 3.09Å; T351-F354 CarbonylContact O-C 3.58Å; T351-F354 PolarHBondContact O-N 3.15Å; T351-F354 VanDerWaalsContact OG1-CD2 3.24Å; T351-F354 WeakPolarHBondContact OG1-CD2 3.33Å; T351-F354 PolarHBondContact OG1-N 2.75Å; T351-Q355 WeakPolarHBondContact O-CG 3.49Å; T351-Q355 PolarHBondContact O-N 3.18Å; T351-G481 PolarHBondContact N-O 3.42Å; T351-E483 WeakPolarHBondContact CA-OE1 3.49Å; T351-E483 HydrophobicContact CG2-CG 4.06Å | ||
| 352 | K | 90.9 | Very high | 90.3 | Very high | 141 Ų | 141 | 62.5 Ų | 62.5 | 61% | 0.613 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -57.5 | -26.4 | 178.6 | -63.9 | -65.8 | 160.9 | -163.7 | 0 | 113.9 | K356 E483 | K352-K356 WeakPolarHBondContact O-CB 3.48Å; K352-K356 PolarHBondContact O-N 2.78Å; K352-E483 PolarHBondContact N-OE1 2.87Å |
| 353 | E | 91.3 | Very high | 89.3 | Confident | 146 Ų | 146 | 64.2 Ų | 64.2 | 68% | 0.682 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69.1 | -51.3 | 169.9 | -60.6 | -176.4 | 164.4 | 0 | 0 | 110.9 | T351 Q355 K356 E357 | T351-E353 PolarHBondContact O-N 2.96Å; T351-E353 VanDerWaalsContact O-N 3.09Å; E353-Q355 PolarHBondContact O-N 2.92Å; E353-K356 WeakPolarHBondContact O-CB 3.49Å; E353-K356 PolarHBondContact O-N 2.93Å; E353-K356 VanDerWaalsContact O-N 3.14Å; E353-E357 WeakPolarHBondContact O-CG 3.49Å; E353-E357 PolarHBondContact O-N 2.9Å |
| 354 | F | 92.1 | Very high | 87.9 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 10% | 0.096 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.8 | -36.4 | -179.1 | -82 | -123.7 | 0 | 0 | 0 | 112.9 | P174 H176 L177 Y335 L350 T351 E357 S358 | P174-F354 HydrophobicContact CB-CD1 4.06Å; P174-F354 HydrophobicContact CB-CE1 4.06Å; P174-F354 HydrophobicContact CG-CD1 3.91Å; P174-F354 HydrophobicContact CG-CE1 3.87Å; H176-F354 AromaticContact CE1-CD1 3.67Å; H176-F354 AromaticContact CE1-CE1 3.76Å; H176-F354 AromaticContact CE1-CG 3.96Å; H176-F354 AromaticContact NE2-CE1 3.9Å; H176-F354 AromaticContact NE2-CZ 3.91Å; L177-F354 HydrophobicContact CD1-CE1 3.98Å; L177-F354 HydrophobicContact CD1-CZ 4.26Å; L177-F354 HydrophobicContact CG-CE1 4.46Å; Y335-F354 WeakPolarHBondContact OH-CE1 3.43Å; L350-F354 HydrophobicContact CB-CB 4.03Å; L350-F354 HydrophobicContact CD1-CB 4.43Å; T351-F354 CarbonylContact O-C 3.58Å; T351-F354 PolarHBondContact O-N 3.15Å; T351-F354 VanDerWaalsContact OG1-CD2 3.24Å; T351-F354 WeakPolarHBondContact OG1-CD2 3.33Å; T351-F354 PolarHBondContact OG1-N 2.75Å; F354-E357 PolarHBondContact O-N 3.02Å; F354-S358 PolarHBondContact O-N 2.92Å |
| 355 | Q | 89.6 | Confident | 86.1 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 170.5 | -69 | -178.3 | 11.9 | 0 | 0 | 110.5 | L350 T351 E353 S358 L359 | L350-Q355 HydrophobicContact CB-CG 4.02Å; L350-Q355 PolarHBondContact O-NE2 2.74Å; T351-Q355 WeakPolarHBondContact O-CG 3.49Å; T351-Q355 PolarHBondContact O-N 3.18Å; E353-Q355 PolarHBondContact O-N 2.92Å; Q355-S358 PolarHBondContact O-N 3.04Å; Q355-L359 WeakPolarHBondContact O-CB 3.3Å; Q355-L359 VanDerWaalsContact O-CG 3.26Å; Q355-L359 WeakPolarHBondContact O-CG 3.18Å; Q355-L359 PolarHBondContact O-N 2.88Å |
| 356 | K | 89.3 | Confident | 83.8 | Confident | 141 Ų | 141 | 69 Ų | 69 | 61% | 0.613 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 178.6 | -175.5 | -166.7 | 169.7 | -154.1 | 0 | 112.1 | K352 E353 L359 S360 | K352-K356 WeakPolarHBondContact O-CB 3.48Å; K352-K356 PolarHBondContact O-N 2.78Å; E353-K356 WeakPolarHBondContact O-CB 3.49Å; E353-K356 PolarHBondContact O-N 2.93Å; E353-K356 VanDerWaalsContact O-N 3.14Å; K356-L359 PolarHBondContact O-N 2.92Å; K356-S360 WeakPolarHBondContact O-CB 3.37Å; K356-S360 PolarHBondContact O-N 3.24Å |
| 357 | E | 89.1 | Confident | 81.4 | Confident | 78 Ų | 78 | 66.2 Ų | 66.2 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 177.3 | -68 | -55 | 134.8 | 0 | 0 | 111.5 | H176 E353 F354 S360 M361 | H176-E357 HydrophobicContact CB-CB 4.4Å; H176-E357 WeakPolarHBondContact ND1-CB 3.49Å; E353-E357 WeakPolarHBondContact O-CG 3.49Å; E353-E357 PolarHBondContact O-N 2.9Å; F354-E357 PolarHBondContact O-N 3.02Å; E357-S360 PolarHBondContact O-N 3.11Å; E357-M361 WeakPolarHBondContact O-CG 3.46Å; E357-M361 PolarHBondContact O-N 3.45Å |
| 358 | S | 88.1 | Confident | 78.9 | Confident | 20 Ų | 20 | 66.5 Ų | 66.5 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 173.9 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | R175 F354 Q355 S360 M361 D362 | R175-S358 PolarHBondContact NH2-OG 3.5Å; F354-S358 PolarHBondContact O-N 2.92Å; Q355-S358 PolarHBondContact O-N 3.04Å; S358-S360 VanDerWaalsContact C-N 3.27Å; S358-S360 PolarHBondContact O-N 2.8Å; S358-M361 PolarHBondContact O-N 3.03Å; S358-M361 VanDerWaalsContact O-N 3.13Å; S358-D362 VanDerWaalsContact O-CG 3.23Å; S358-D362 PolarHBondContact O-N 2.89Å; S358-D362 PolarHBondContact OG-OD2 2.72Å |
| 359 | L | 84.2 | Confident | 76.2 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -34.7 | 179 | -71.7 | 168.8 | 0 | 0 | 0 | 112.5 | Q355 K356 D362 L363 | Q355-L359 WeakPolarHBondContact O-CB 3.3Å; Q355-L359 VanDerWaalsContact O-CG 3.26Å; Q355-L359 WeakPolarHBondContact O-CG 3.18Å; Q355-L359 PolarHBondContact O-N 2.88Å; K356-L359 PolarHBondContact O-N 2.92Å; L359-D362 PolarHBondContact O-N 3.22Å; L359-L363 WeakPolarHBondContact O-CB 3.5Å; L359-L363 WeakPolarHBondContact O-CG 3.45Å; L359-L363 PolarHBondContact O-N 2.65Å |
| 360 | S | 83.4 | Confident | 73.2 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 173.9 | -162.7 | 0 | 0 | 0 | 0 | 111.1 | K356 E357 S358 D362 L363 E364 | K356-S360 WeakPolarHBondContact O-CB 3.37Å; K356-S360 PolarHBondContact O-N 3.24Å; E357-S360 PolarHBondContact O-N 3.11Å; S358-S360 VanDerWaalsContact C-N 3.27Å; S358-S360 PolarHBondContact O-N 2.8Å; S360-D362 PolarHBondContact O-N 2.93Å; S360-L363 PolarHBondContact O-N 2.98Å; S360-E364 WeakPolarHBondContact O-CG 3.22Å; S360-E364 PolarHBondContact O-N 3.47Å |
| 361 | M | 79.3 | Confident | 70.3 | Confident | 11 Ų | 11 | 80.6 Ų | 80.6 | 5% | 0.054 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.5 | -22.4 | 178.4 | -66.1 | -177.5 | 82.1 | 0 | 0 | 113.9 | R175 H176 E179 E357 S358 L365 R519 | R175-M361 HydrophobicContact CB-CE 3.6Å; R175-M361 HydrophobicContact CB-SD 3.67Å; H176-M361 HydrophobicContact CB-SD 3.74Å; H176-M361 PolarHBondContact N-SD 2.99Å; E179-M361 HydrophobicContact CG-CE 4.27Å; E179-M361 WeakPolarHBondContact OE1-CE 3.44Å; E179-M361 WeakPolarHBondContact OE2-CE 3.49Å; E357-M361 WeakPolarHBondContact O-CG 3.46Å; E357-M361 PolarHBondContact O-N 3.45Å; S358-M361 PolarHBondContact O-N 3.03Å; S358-M361 VanDerWaalsContact O-N 3.13Å; M361-L365 WeakPolarHBondContact O-CG 3.27Å; M361-R519 PolarHBondContact O-NH2 3.32Å |
| 362 | D | 79.5 | Confident | 67.1 | Low | 23 Ų | 23 | 88.3 Ų | 88.3 | 12% | 0.123 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -85.2 | -40.2 | 174.4 | -65.6 | -38.5 | 0 | 0 | 0 | 112 | R175 S358 L359 S360 E364 L365 N366 P517 | R175-D362 IonicContact CZ-OD1 3.83Å; R175-D362 IonicContact CZ-OD2 2.92Å; R175-D362 IonicContact NH1-OD1 2.68Å; R175-D362 PolarHBondContact NH1-OD1 2.89Å; R175-D362 IonicContact NH2-OD1 2.67Å; R175-D362 PolarHBondContact NH2-OD1 3.39Å; R175-D362 IonicContact NH2-OD2 2.63Å; R175-D362 PolarHBondContact NH2-OD2 3.2Å; S358-D362 VanDerWaalsContact O-CG 3.23Å; S358-D362 PolarHBondContact O-N 2.89Å; S358-D362 PolarHBondContact OG-OD2 2.72Å; L359-D362 PolarHBondContact O-N 3.22Å; S360-D362 PolarHBondContact O-N 2.93Å; D362-E364 VanDerWaalsContact C-N 3.35Å; D362-E364 PolarHBondContact O-N 2.96Å; D362-L365 WeakPolarHBondContact O-CB 3.48Å; D362-L365 PolarHBondContact O-N 3.39Å; D362-L365 VanDerWaalsContact O-N 3.17Å; D362-N366 PolarHBondContact O-N 3.01Å; D362-P517 HydrophobicContact CB-CG 4.44Å; D362-P517 WeakPolarHBondContact OD1-CD 3.37Å; D362-P517 VanDerWaalsContact OD1-CG 3.3Å; D362-P517 WeakPolarHBondContact OD1-CG 3.31Å |
| 363 | L | 72.8 | Confident | 64.1 | Low | 116 Ų | 116 | 85 Ų | 85 | 61% | 0.607 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.3 | -31.1 | 175.5 | -73.6 | 169.4 | 0 | 0 | 0 | 113 | L359 S360 L365 N366 G367 | L359-L363 WeakPolarHBondContact O-CB 3.5Å; L359-L363 WeakPolarHBondContact O-CG 3.45Å; L359-L363 PolarHBondContact O-N 2.65Å; S360-L363 PolarHBondContact O-N 2.98Å; L363-L365 PolarHBondContact O-N 2.87Å; L363-L365 VanDerWaalsContact O-N 3.16Å; L363-N366 PolarHBondContact O-N 3.09Å; L363-G367 PolarHBondContact O-N 2.94Å |
| 364 | E | 65.8 | Low | 61.2 | Low | 111 Ų | 111 | 85.4 Ų | 85.4 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.1 | -22.4 | 170.4 | -81 | 178.5 | 171.9 | 0 | 0 | 113.5 | S360 D362 R519 | S360-E364 WeakPolarHBondContact O-CG 3.22Å; S360-E364 PolarHBondContact O-N 3.47Å; D362-E364 VanDerWaalsContact C-N 3.35Å; D362-E364 PolarHBondContact O-N 2.96Å; E364-R519 IonicContact OE2-NH2 3.2Å; E364-R519 PolarHBondContact OE2-NH2 2.77Å |
| 365 | L | 56.1 | Low | 58.2 | Low | 35 Ų | 35 | 92.5 Ų | 92.5 | 18% | 0.183 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -84.8 | -53.6 | 178.8 | -47.1 | 179.1 | 0 | 0 | 0 | 110.2 | M361 D362 L363 G367 L368 P517 R519 | M361-L365 WeakPolarHBondContact O-CG 3.27Å; D362-L365 WeakPolarHBondContact O-CB 3.48Å; D362-L365 PolarHBondContact O-N 3.39Å; D362-L365 VanDerWaalsContact O-N 3.17Å; L363-L365 PolarHBondContact O-N 2.87Å; L363-L365 VanDerWaalsContact O-N 3.16Å; L365-G367 PolarHBondContact O-N 2.93Å; L365-L368 PolarHBondContact O-N 3.36Å; L365-P517 HydrophobicContact CD1-CB 4.29Å; L365-R519 HydrophobicContact CD1-CG 3.87Å; L365-R519 HydrophobicContact CD2-CG 3.4Å; L365-R519 VanDerWaalsContact CD2-CG 3.4Å; L365-R519 HydrophobicContact CG-CG 4.28Å |
| 366 | N | 45 | Very low | 55.2 | Low | 98 Ų | 98 | 98.6 Ų | 98.6 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.3 | -30.6 | -179.2 | -59.1 | -5.8 | 0 | 0 | 0 | 111.9 | D362 L363 L368 E369 | D362-N366 PolarHBondContact O-N 3.01Å; L363-N366 PolarHBondContact O-N 3.09Å; N366-L368 PolarHBondContact O-N 3.05Å; N366-E369 PolarHBondContact O-N 3.09Å |
| 367 | G | 41 | Very low | 52.2 | Low | 66 Ų | 66 | 95.8 Ų | 95.8 | 68% | 0.68 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -11.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L363 L365 | L363-G367 PolarHBondContact O-N 2.94Å; L365-G367 PolarHBondContact O-N 2.93Å |
| 368 | L | 41.2 | Very low | 49.2 | Very low | 129 Ų | 129 | 98.8 Ų | 98.8 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -12.2 | 179.5 | -76.5 | 164.5 | 0 | 0 | 0 | 114.1 | L365 N366 | L365-L368 PolarHBondContact O-N 3.36Å; N366-L368 PolarHBondContact O-N 3.05Å |
| 369 | E | 36 | Very low | 46.2 | Very low | 170 Ų | 170 | 104.4 Ų | 104.4 | 79% | 0.794 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -86 | -10.8 | -177 | -64.1 | -166.1 | 135.4 | 0 | 0 | 114.2 | N366 | N366-E369 PolarHBondContact O-N 3.09Š|
| 370 | S | 34.2 | Very low | 43.4 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 85% | 0.846 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -106.6 | 38.2 | -176.1 | -64.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 371 | G | 32.4 | Very low | 40.6 | Very low | 59 Ų | 59 | 115.2 Ų | 115.2 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | trans | -151.4 | 62.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 372 | N | 28.6 | Very low | 38.2 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 97% | 0.968 | 68% | 0.682 | S | S | * | * | trans | -147.1 | 123.8 | 158.2 | -91.7 | -43.9 | 0 | 0 | 0 | 110.4 | ||||
| 373 | G | 27.5 | Very low | 35.5 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | trans | 177.7 | 122.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 374 | D | 29.4 | Very low | 33.2 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | -76 | 167.9 | -171.2 | -45.9 | -79.9 | 0 | 0 | 0 | 111.7 | ||||
| 375 | E | 30 | Very low | 31.2 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | cis | -160.7 | 179.9 | 12.7 | -146.3 | 168.8 | -156.4 | 0 | 0 | 111.5 | ||||
| 376 | E | 26.3 | Very low | 29.6 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 61.2 | 103.7 | 152.3 | -67.1 | -113.8 | 111.1 | 0 | 0 | 123.5 | ||||
| 377 | A | 26.2 | Very low | 28.5 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | 98 | 157.3 | 109.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 378 | V | 26.6 | Very low | 27.8 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | 76.9 | 91.7 | 163.8 | -157.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 379 | D | 25.1 | Very low | 27 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -21.3 | 133.8 | 149.3 | 175 | 39.2 | 0 | 0 | 0 | 119.7 | ||||
| 380 | R | 25.4 | Very low | 26.4 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -173.7 | 134 | 134.8 | -103.7 | 162.1 | -171 | -159.1 | 2 | 114.5 | ||||
| 381 | E | 23.4 | Very low | 26 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -65.5 | 160.2 | 159.9 | -95.6 | -153.2 | 151.9 | 0 | 0 | 111.2 | R383 | E381-R383 WeakPolarHBondContact OE1-CD 3.37Å; E381-R383 WeakPolarHBondContact OE1-CG 3.39Å; E381-R383 IonicContact OE1-NE 2.73Å; E381-R383 PolarHBondContact OE1-NE 2.84Å | ||
| 382 | P | 29.8 | Very low | 25.6 | Very low | 130 Ų | 130 | 155.2 Ų | 155.2 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -140 | 137.9 | 109.8 | 36.4 | -25.1 | 0 | 0 | 0 | 115.5 | |||||
| 383 | R | 22.1 | Very low | 25.5 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 75% | 0.751 | 79% | 0.788 | S | S | * | * | trans | -104.7 | 128.5 | 160.7 | -65.5 | 172.6 | 173.7 | -144.6 | -9.2 | 110.9 | E381 | E381-R383 WeakPolarHBondContact OE1-CD 3.37Å; E381-R383 WeakPolarHBondContact OE1-CG 3.39Å; E381-R383 IonicContact OE1-NE 2.73Å; E381-R383 PolarHBondContact OE1-NE 2.84Å | ||
| 384 | R | 25.1 | Very low | 25.3 | Very low | 238 Ų | 238 | 154.3 Ų | 154.3 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | 151 | 115.3 | 125.3 | -84.1 | 176.6 | 177.9 | -178 | 1 | 115.4 | |||||
| 385 | L | 23.6 | Very low | 25.7 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 55.5 | 122.3 | 115.5 | -161.1 | 84.5 | 0 | 0 | 0 | 120.6 | |||||
| 386 | S | 22.3 | Very low | 25.4 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -158.5 | 118.4 | 137.1 | -91 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 387 | S | 23.3 | Very low | 25.3 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | 47.2 | 123.9 | 132.9 | -145.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 388 | R | 25.1 | Very low | 25.3 | Very low | 233 Ų | 233 | 149.7 Ų | 149.7 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | 30.2 | 140.8 | 126 | -54.9 | 172.9 | 173 | 178.9 | -3.4 | 118.4 | |||||
| 389 | R | 25.2 | Very low | 25.1 | Very low | 239 Ų | 239 | 146 Ų | 146 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | cis | -163.7 | 169.8 | 46.6 | -152.5 | 173.5 | -172.7 | 170.8 | 0.2 | 112.4 | ||||
| 390 | S | 24.1 | Very low | 25.1 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 158.8 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 391 | V | 25.2 | Very low | 25.1 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | 172.2 | 130.2 | 113.3 | 138.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 392 | L | 24.1 | Very low | 25.2 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 58.7 | 153.9 | 149.2 | -68 | 175.3 | 0 | 0 | 0 | 126.4 | ||||
| 393 | T | 25.3 | Very low | 25 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 73.7 | 107.4 | 149.4 | 36.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 394 | S | 23.6 | Very low | 25.1 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -73 | 163.2 | 145.3 | -161.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 395 | P | 37.3 | Very low | 25.1 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | -150.9 | 149.2 | 87.2 | 39 | -20.6 | 0 | 0 | 0 | 118 | |||||
| 396 | V | 23.7 | Very low | 25.2 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 61.5 | 116.1 | 131.5 | 179.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 397 | A | 24.5 | Very low | 25.4 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | 43.7 | 125.8 | 138.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 398 | N | 26.7 | Very low | 25.4 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | -152.6 | 164.8 | 93.3 | -83.9 | -42.9 | 0 | 0 | 0 | 107.6 | |||||
| 399 | G | 22.8 | Very low | 25.5 | Very low | 63 Ų | 63 | 133.9 Ų | 133.9 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | 75.8 | 121.4 | 47 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 400 | V | 24.5 | Very low | 25.5 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | cis | -153.8 | 158.2 | 23.6 | 160.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 401 | N | 25.7 | Very low | 25.5 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -67 | 147.1 | 171.1 | -70.6 | -28.1 | 0 | 0 | 0 | 112.3 | ||||
| 402 | L | 24.6 | Very low | 25.6 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -172.3 | 135.5 | 132.7 | -107 | 158.1 | 0 | 0 | 0 | 112.8 | ||||
| 403 | D | 25.4 | Very low | 25.7 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 153.3 | 162.3 | -41.3 | -97.4 | 0 | 0 | 0 | 110.8 | ||||
| 404 | Y | 25.3 | Very low | 26.2 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | -172.9 | 141.8 | 117.8 | -128.9 | -123.3 | 0 | 0 | 0 | 116.4 | |||||
| 405 | D | 25.5 | Very low | 26.8 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 65% | 0.652 | 79% | 0.791 | S | S | * | * | trans | 78.3 | 156.7 | 139.9 | -122.1 | -19.6 | 0 | 0 | 0 | 126 | L407 | D405-L407 WeakPolarHBondContact OD1-CD1 3.38Š| ||
| 406 | G | 24.1 | Very low | 26.4 | Very low | 63 Ų | 63 | 136.8 Ų | 136.8 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | 110.8 | 74.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 407 | L | 27 | Very low | 26.6 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | 41.7 | 117.3 | 61.4 | -79.1 | 175.7 | 0 | 0 | 0 | 113.1 | D405 | D405-L407 WeakPolarHBondContact OD1-CD1 3.38Š| |||
| 408 | G | 23.6 | Very low | 26.8 | Very low | 60 Ų | 60 | 144.3 Ų | 144.3 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | cis | 142.2 | 156.5 | 1.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 409 | K | 26.8 | Very low | 26.8 | Very low | 216 Ų | 216 | 146.5 Ų | 146.5 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -175 | 157.1 | 160.2 | -107.4 | 148 | -169.5 | 172 | 0 | 114.6 | ||||
| 410 | T | 25.7 | Very low | 26.9 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -121.9 | 161 | 176 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 411 | C | 24.1 | Very low | 27 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -171.8 | 175 | 133.7 | -115.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 412 | R | 28 | Very low | 27 | Very low | 235 Ų | 235 | 148.7 Ų | 148.7 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -111 | 171.2 | -173.7 | -69.4 | 179.4 | 170.3 | -176.4 | -2.8 | 113.3 | ||||
| 413 | S | 25.7 | Very low | 27 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | 108.8 | 156.4 | 145.7 | 76.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 414 | L | 34.4 | Very low | 26.9 | Very low | 156 Ų | 156 | 145 Ų | 145 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | trans | -111 | 157.5 | -167.1 | -103.9 | 160.9 | 0 | 0 | 0 | 109.2 | ||||
| 415 | P | 37.4 | Very low | 26.9 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | -153.9 | -176.4 | 77.4 | 40.4 | -18.9 | 0 | 0 | 0 | 118.1 | |||||
| 416 | S | 29 | Very low | 26.8 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -64.9 | 157.5 | -172 | -35.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 417 | L | 26.9 | Very low | 26.9 | Very low | 178 Ų | 178 | 142 Ų | 142 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | -170.9 | 177.4 | 103 | -123.4 | 108.9 | 0 | 0 | 0 | 114.9 | |||||
| 418 | K | 29.5 | Very low | 26.7 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 81% | 0.809 | 82% | 0.815 | S | S | * | * | trans | -106.2 | 160.5 | -171.2 | -55.2 | 177.1 | 178.2 | -179.3 | 0 | 114.5 | ||||
| 419 | K | 26.1 | Very low | 27 | Very low | 206 Ų | 206 | 143.3 Ų | 143.3 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | -164.9 | 171.4 | 123.2 | -111 | 174.8 | -177.1 | -177.8 | 0 | 113.5 | |||||
| 420 | T | 25.7 | Very low | 27 | Very low | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -149.9 | 153 | -161.4 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 421 | L | 25.7 | Very low | 27 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | 176.4 | 179.1 | 126.2 | -95 | 163.3 | 0 | 0 | 0 | 112.9 | |||||
| 422 | S | 26.1 | Very low | 26.9 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -137.3 | 172.4 | -155 | 52.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 423 | G | 24.4 | Very low | 26.8 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 179.4 | 150.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 424 | D | 23.7 | Very low | 26.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -118.1 | 172.3 | -161.1 | -57.3 | -68.1 | 0 | 0 | 0 | 116.3 | ||||
| 425 | S | 26.2 | Very low | 26.4 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 86.1 | 111.2 | 150.9 | -59.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 426 | S | 23.3 | Very low | 25.9 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 26.6 | 132.7 | 137.5 | 63.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 427 | S | 24.8 | Very low | 25.7 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | -178.7 | 165 | 50.7 | 55.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 428 | D | 23.6 | Very low | 25.9 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | 81.5 | 115.5 | 149.6 | -141.8 | 3.9 | 0 | 0 | 0 | 123.6 | ||||
| 429 | S | 30.4 | Very low | 25.5 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | 22.5 | 130.1 | 150.6 | -50.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 430 | S | 26.4 | Very low | 25.8 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | 174.4 | 166.5 | 67.5 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 431 | R | 25.4 | Very low | 25.9 | Very low | 248 Ų | 248 | 134.4 Ų | 134.4 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | 64.2 | 117.9 | 161.3 | -71.9 | 176.3 | 164.4 | 162.8 | -4.2 | 120.9 | ||||
| 432 | G | 23.1 | Very low | 26.2 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | 113.7 | 89.1 | 109.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 433 | S | 24.9 | Very low | 26.2 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 73.9 | 150.9 | 144.7 | -151.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 434 | H | 25.7 | Very low | 26.2 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | 77 | 119 | 167.4 | -56.2 | -64.3 | 0 | 0 | 0 | 120.9 | ||||
| 435 | N | 25.4 | Very low | 26.7 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | 42.5 | 97.4 | 149.4 | -66.5 | 8.8 | 0 | 0 | 0 | 119.9 | ||||
| 436 | G | 26.8 | Very low | 27 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | 117.6 | 92.9 | 124.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 437 | Q | 26.7 | Very low | 27.3 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | -172.2 | 151.1 | 124.2 | -105.5 | 177.9 | -16.7 | 0 | 0 | 112.5 | |||||
| 438 | V | 30.6 | Very low | 28 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | 34.5 | 120.2 | 149.2 | -174.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 439 | W | 20.8 | Very low | 29.5 | Very low | 261 Ų | 261 | 148 Ų | 148 | 99% | 0.989 | 79% | 0.791 | S | S | * | * | trans | -115.4 | 151.5 | 144.7 | -97.2 | 4.6 | 0 | 0 | 0 | 110.7 | ||||
| 440 | D | 32.4 | Very low | 31.5 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | -104.8 | 120.9 | -164.4 | 169.5 | 38.8 | 0 | 0 | 0 | 111.7 | ||||
| 441 | P | 27.2 | Very low | 34.5 | Very low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -89.7 | 104.8 | 164 | 32.6 | -26.1 | 0 | 0 | 0 | 109.8 | C443 | P441-C443 PolarHBondContact O-N 2.92Š| ||
| 442 | Q | 32.2 | Very low | 37.7 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | trans | -56.9 | 97.6 | -173.7 | -67.5 | 177 | -19.3 | 0 | 0 | 114.1 | ||||
| 443 | C | 27.3 | Very low | 41.1 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -138 | 77.8 | 158.5 | -151.9 | 0 | 0 | 0 | 0 | 109.8 | P441 | P441-C443 PolarHBondContact O-N 2.92Š| ||
| 444 | A | 24.5 | Very low | 44.5 | Very low | 83 Ų | 83 | 128 Ų | 128 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | trans | -59.8 | 132 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | R446 | A444-R446 PolarHBondContact O-N 3.04Å; A444-R446 VanDerWaalsContact O-N 3.09Å | ||
| 445 | P | 33 | Very low | 47.8 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | trans | -62.1 | 117.7 | 174 | 26.2 | -33.1 | 0 | 0 | 0 | 108.4 | K447 | P445-K447 PolarHBondContact O-N 3.26Š| ||
| 446 | R | 31.7 | Very low | 51.3 | Low | 221 Ų | 221 | 118.9 Ų | 118.9 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | trans | -67.1 | 93.2 | 179.4 | -74.1 | -172.7 | 177.2 | -172.8 | 2.4 | 109.8 | A444 D448 | A444-R446 PolarHBondContact O-N 3.04Å; A444-R446 VanDerWaalsContact O-N 3.09Å; R446-D448 PolarHBondContact O-N 3.14Å | ||
| 447 | K | 31.4 | Very low | 54.6 | Low | 183 Ų | 183 | 115.5 Ų | 115.5 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | trans | -56.4 | 131.1 | 157.4 | -74.6 | -174.7 | 171.8 | -174.7 | 0 | 109 | P445 R449 | P445-K447 PolarHBondContact O-N 3.26Å; K447-R449 PolarHBondContact O-N 3.19Å; K447-R449 VanDerWaalsContact O-N 3.14Å | ||
| 448 | D | 39.5 | Very low | 57.9 | Low | 163 Ų | 163 | 107.9 Ų | 107.9 | 87% | 0.872 | 54% | 0.539 | S | S | * | . | trans | 33.5 | 66.8 | 151.5 | -46.8 | -32 | 0 | 0 | 0 | 115.4 | R446 | R446-D448 PolarHBondContact O-N 3.14Š| ||
| 449 | R | 54.2 | Low | 61 | Low | 203 Ų | 203 | 106.6 Ų | 106.6 | 77% | 0.766 | 53% | 0.525 | S | S | * | . | trans | -114.8 | 94.4 | 163.2 | -160.5 | 172.9 | -172.6 | 179.1 | 0.6 | 108.1 | K447 V451 | K447-R449 PolarHBondContact O-N 3.19Å; K447-R449 VanDerWaalsContact O-N 3.14Å; R449-V451 PolarHBondContact O-N 2.6Å | ||
| 450 | Q | 72.3 | Confident | 64.7 | Low | 129 Ų | 129 | 94.2 Ų | 94.2 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | trans | -51.5 | 128.8 | 179.2 | -170.4 | 172.1 | 6.7 | 0 | 0 | 109.8 | ||||
| 451 | V | 89.1 | Confident | 67.8 | Low | 36 Ų | 36 | 88.6 Ų | 88.6 | 22% | 0.218 | 45% | 0.448 | C | S | . | . | trans | -77.7 | 140.2 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | I344 R449 L453 L499 I513 | I344-V451 HydrophobicContact CD1-CG1 4.4Å; I344-V451 HydrophobicContact CG1-CG1 4.27Å; I344-V451 HydrophobicContact CG2-CB 4.45Å; I344-V451 HydrophobicContact CG2-CG2 4.31Å; R449-V451 PolarHBondContact O-N 2.6Å; V451-L453 HydrophobicContact CG1-CD2 4.17Å; V451-L499 WeakPolarHBondContact O-CD2 3.45Å; V451-I513 HydrophobicContact CG1-CD1 3.92Å; V451-I513 HydrophobicContact CG1-CG1 4.11Å; V451-I513 HydrophobicContact CG2-CD1 4.31Å | ||
| 452 | H | 92.9 | Very high | 71.1 | Confident | 34 Ų | 34 | 91 Ų | 91 | 16% | 0.157 | 44% | 0.442 | C | S | . | . | trans | -121.6 | 127.6 | 171 | -61.6 | -70.9 | 0 | 0 | 0 | 108.1 | D503 L506 A507 | H452-D503 PolarHBondContact ND1-N 3.16Å; H452-L506 HydrophobicContact CB-CB 4.14Å; H452-L506 VanDerWaalsContact CD2-CB 3.4Å; H452-L506 WeakPolarHBondContact CD2-CB 3.36Å; H452-L506 WeakPolarHBondContact NE2-CD1 3.2Å; H452-A507 HydrophobicContact CB-CB 4.2Å | ||
| 453 | L | 94.4 | Very high | 74.2 | Confident | 4 Ų | 4 | 84.1 Ų | 84.1 | 2% | 0.021 | 41% | 0.413 | C | S | . | . | trans | -100.8 | 153.5 | 177.4 | -65.4 | -177.8 | 0 | 0 | 0 | 110.4 | Y340 I344 V451 E457 L458 L461 L499 S502 I513 | Y340-L453 HydrophobicContact CD1-CD1 4.44Å; Y340-L453 HydrophobicContact CE1-CD2 4.17Å; I344-L453 HydrophobicContact CD1-CD1 4.08Å; I344-L453 HydrophobicContact CD1-CD2 4.18Å; I344-L453 HydrophobicContact CD1-CG 4.47Å; V451-L453 HydrophobicContact CG1-CD2 4.17Å; L453-E457 HydrophobicContact CB-CB 4.4Å; L453-L458 HydrophobicContact CB-CD2 4.02Å; L453-L458 HydrophobicContact CB-CG 3.95Å; L453-L458 HydrophobicContact CD1-CD2 3.94Å; L453-L461 HydrophobicContact CD1-CD1 4.06Å; L453-L499 HydrophobicContact CD1-CD1 3.74Å; L453-L499 HydrophobicContact CG-CD1 3.96Å; L453-S502 PolarHBondContact N-OG 3.3Å; L453-S502 WeakPolarHBondContact O-CB 3.49Å; L453-I513 HydrophobicContact CD2-CB 4.4Å; L453-I513 HydrophobicContact CD2-CG2 3.8Å | ||
| 454 | T | 96.5 | Very high | 77.6 | Confident | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | trans | -69.5 | 150.7 | 171.7 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | Q68 F303 F456 E457 L458 A507 | Q68-T454 HydrophobicContact CB-CG2 3.79Å; Q68-T454 HydrophobicContact CG-CG2 4.09Å; F303-T454 HydrophobicContact CE1-CG2 4.19Å; T454-F456 PolarHBondContact O-N 3.26Å; T454-E457 WeakPolarHBondContact CB-OE2 3.17Å; T454-E457 PolarHBondContact N-OE2 3.33Å; T454-E457 PolarHBondContact O-N 2.99Å; T454-E457 WeakPolarHBondContact OG1-CG 3.27Å; T454-E457 PolarHBondContact OG1-N 2.85Å; T454-E457 PolarHBondContact OG1-OE2 3.26Å; T454-L458 PolarHBondContact O-N 3.02Å; T454-A507 HydrophobicContact CG2-CB 4.09Å | ||
| 455 | H | 95.9 | Very high | 81 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.4 | -32.7 | 176.3 | 71.2 | -84.3 | 0 | 0 | 0 | 112.1 | E457 L458 E459 | H455-E457 PolarHBondContact O-N 3.38Å; H455-L458 PolarHBondContact O-N 3.31Å; H455-E459 WeakPolarHBondContact O-CB 3.49Å; H455-E459 PolarHBondContact O-N 2.88Å |
| 456 | F | 97.1 | Very high | 84.1 | Confident | 21 Ų | 21 | 73 Ų | 73 | 9% | 0.092 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | 172.8 | -59.7 | -58.2 | 0 | 0 | 0 | 113.5 | R73 F303 T454 G460 | R73-F456 VanDerWaalsContact NH2-CD1 3.27Å; F303-F456 HydrophobicContact CB-CB 4.27Å; F303-F456 HydrophobicContact CD1-CB 4.42Å; F303-F456 WeakPolarHBondContact O-CB 3.44Å; T454-F456 PolarHBondContact O-N 3.26Å; F456-G460 PolarHBondContact O-N 3.14Å |
| 457 | E | 96.8 | Very high | 87.1 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.7 | -40.8 | 177.6 | -70.5 | 166 | 106 | 0 | 0 | 111.3 | F303 Y340 L453 T454 H455 G460 L461 | F303-E457 HydrophobicContact CD1-CG 3.89Å; F303-E457 VanDerWaalsContact CE1-CD 3.46Å; F303-E457 HydrophobicContact CE1-CG 3.76Å; F303-E457 WeakPolarHBondContact CE1-OE2 3.15Å; F303-E457 HydrophobicContact CZ-CG 4.44Å; Y340-E457 WeakPolarHBondContact CE1-OE1 3.05Å; Y340-E457 PolarHBondContact OH-OE1 3.11Å; L453-E457 HydrophobicContact CB-CB 4.4Å; T454-E457 WeakPolarHBondContact CB-OE2 3.17Å; T454-E457 PolarHBondContact N-OE2 3.33Å; T454-E457 PolarHBondContact O-N 2.99Å; T454-E457 WeakPolarHBondContact OG1-CG 3.27Å; T454-E457 PolarHBondContact OG1-N 2.85Å; T454-E457 PolarHBondContact OG1-OE2 3.26Å; H455-E457 PolarHBondContact O-N 3.38Å; E457-G460 PolarHBondContact O-N 3.17Å; E457-L461 VanDerWaalsContact O-CB 3.28Å; E457-L461 WeakPolarHBondContact O-CB 3.24Å; E457-L461 WeakPolarHBondContact O-CG 3.37Å; E457-L461 PolarHBondContact O-N 3.36Å |
| 458 | L | 96.3 | Very high | 90.2 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 177 | -68 | 171.4 | 0 | 0 | 0 | 111.8 | L453 T454 H455 R462 L496 L499 | L453-L458 HydrophobicContact CB-CD2 4.02Å; L453-L458 HydrophobicContact CB-CG 3.95Å; L453-L458 HydrophobicContact CD1-CD2 3.94Å; T454-L458 PolarHBondContact O-N 3.02Å; H455-L458 PolarHBondContact O-N 3.31Å; L458-R462 WeakPolarHBondContact O-CB 3.43Å; L458-R462 PolarHBondContact O-N 2.7Å; L458-R462 VanDerWaalsContact O-N 3.15Å; L458-L496 HydrophobicContact CD2-CD2 3.89Å; L458-L499 HydrophobicContact CD2-CB 4.08Å |
| 459 | E | 96.5 | Very high | 92.8 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.3 | -48.8 | 171.8 | -172.8 | -162.7 | 178.4 | 0 | 0 | 110.5 | P306 H455 R462 C463 | P306-E459 HydrophobicContact CG-CG 3.89Å; H455-E459 WeakPolarHBondContact O-CB 3.49Å; H455-E459 PolarHBondContact O-N 2.88Å; E459-R462 PolarHBondContact O-N 3.42Å; E459-C463 PolarHBondContact O-N 3.03Å; E459-C463 PolarHBondContact O-SG 2.63Å; E459-C463 VanDerWaalsContact O-SG 3.37Å |
| 460 | G | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F456 E457 C463 L464 | F456-G460 PolarHBondContact O-N 3.14Å; E457-G460 PolarHBondContact O-N 3.17Å; G460-C463 PolarHBondContact O-N 2.7Å; G460-L464 PolarHBondContact O-N 3.47Å |
| 461 | L | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 175.9 | -73.5 | 170.6 | 0 | 0 | 0 | 111.2 | L337 Y340 L453 E457 L464 V465 L496 | L337-L461 HydrophobicContact CD2-CD2 3.69Å; Y340-L461 HydrophobicContact CD1-CD1 3.81Å; Y340-L461 HydrophobicContact CD1-CD2 4.46Å; Y340-L461 HydrophobicContact CD2-CD2 3.92Å; Y340-L461 HydrophobicContact CE1-CD1 4.2Å; Y340-L461 HydrophobicContact CE2-CD2 4.43Å; Y340-L461 HydrophobicContact CG-CD1 4.08Å; Y340-L461 HydrophobicContact CG-CD2 3.95Å; L453-L461 HydrophobicContact CD1-CD1 4.06Å; E457-L461 VanDerWaalsContact O-CB 3.28Å; E457-L461 WeakPolarHBondContact O-CB 3.24Å; E457-L461 WeakPolarHBondContact O-CG 3.37Å; E457-L461 PolarHBondContact O-N 3.36Å; L461-L464 WeakPolarHBondContact O-CB 3.23Å; L461-L464 PolarHBondContact O-N 2.93Å; L461-V465 PolarHBondContact O-N 2.84Å; L461-L496 HydrophobicContact CB-CD1 4.42Å; L461-L496 HydrophobicContact CB-CD2 3.98Å; L461-L496 HydrophobicContact CD1-CD2 4.47Å |
| 462 | R | 97.7 | Very high | 95.3 | Very high | 166 Ų | 166 | 41.6 Ų | 41.6 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.5 | -46.4 | 173.5 | -170.7 | 174.2 | -172.9 | 141.8 | 5.2 | 111.3 | L458 E459 L464 V465 D466 L496 | L458-R462 WeakPolarHBondContact O-CB 3.43Å; L458-R462 PolarHBondContact O-N 2.7Å; L458-R462 VanDerWaalsContact O-N 3.15Å; E459-R462 PolarHBondContact O-N 3.42Å; R462-L464 VanDerWaalsContact C-N 3.3Å; R462-L464 PolarHBondContact O-N 3.33Å; R462-V465 PolarHBondContact O-N 3.3Å; R462-D466 PolarHBondContact O-N 2.74Å; R462-L496 HydrophobicContact CB-CD1 4.11Å |
| 463 | C | 97.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 46.9 Ų | 46.9 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.8 | -31.3 | 174.3 | -69.6 | 0 | 0 | 0 | 0 | 113.6 | L309 E459 G460 K467 | L309-C463 HydrophobicContact CD1-CB 3.81Å; L309-C463 WeakPolarHBondContact CD1-O 3.31Å; E459-C463 PolarHBondContact O-N 3.03Å; E459-C463 PolarHBondContact O-SG 2.63Å; E459-C463 VanDerWaalsContact O-SG 3.37Å; G460-C463 PolarHBondContact O-N 2.7Å; C463-K467 WeakPolarHBondContact O-CB 3.3Å; C463-K467 PolarHBondContact O-N 2.71Å |
| 464 | L | 97.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 170.9 | -72.9 | -173.9 | 0 | 0 | 0 | 111.6 | I305 L309 C333 V336 L337 G460 L461 R462 K467 L468 | I305-L464 HydrophobicContact CD1-CD1 4.14Å; I305-L464 HydrophobicContact CD1-CG 4.35Å; I305-L464 HydrophobicContact CG2-CD1 4.48Å; I305-L464 HydrophobicContact CG2-CD2 3.56Å; I305-L464 HydrophobicContact CG2-CG 3.81Å; L309-L464 HydrophobicContact CD1-CD2 4.27Å; L309-L464 HydrophobicContact CD2-CD2 4.26Å; C333-L464 HydrophobicContact CB-CD2 3.87Å; V336-L464 HydrophobicContact CB-CD1 4.11Å; V336-L464 HydrophobicContact CG1-CD1 3.74Å; L337-L464 HydrophobicContact CD1-CB 4.5Å; L337-L464 HydrophobicContact CD2-CB 3.94Å; L337-L464 HydrophobicContact CD2-CD1 3.85Å; L337-L464 HydrophobicContact CG-CB 4.37Å; L337-L464 HydrophobicContact CG-CD1 4.24Å; G460-L464 PolarHBondContact O-N 3.47Å; L461-L464 WeakPolarHBondContact O-CB 3.23Å; L461-L464 PolarHBondContact O-N 2.93Å; R462-L464 VanDerWaalsContact C-N 3.3Å; R462-L464 PolarHBondContact O-N 3.33Å; L464-K467 PolarHBondContact O-N 3.22Å; L464-L468 WeakPolarHBondContact O-CB 3.49Å; L464-L468 VanDerWaalsContact O-CG 3.25Å; L464-L468 WeakPolarHBondContact O-CG 3.41Å; L464-L468 PolarHBondContact O-N 3.09Å |
| 465 | V | 97.3 | Very high | 93 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -56.9 | 178.2 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | L337 L461 R462 K467 L468 E469 I489 V492 K493 | L337-V465 HydrophobicContact CD1-CG2 4.22Å; L461-V465 PolarHBondContact O-N 2.84Å; R462-V465 PolarHBondContact O-N 3.3Å; V465-K467 PolarHBondContact O-N 2.99Å; V465-L468 PolarHBondContact O-N 3.41Å; V465-L468 VanDerWaalsContact O-N 3.15Å; V465-E469 PolarHBondContact O-N 3Å; V465-I489 HydrophobicContact CB-CD1 4.49Å; V465-I489 HydrophobicContact CG1-CD1 4.37Å; V465-I489 HydrophobicContact CG1-CG2 4.17Å; V465-I489 HydrophobicContact CG2-CD1 4.19Å; V465-V492 HydrophobicContact CG2-CB 4.04Å; V465-V492 HydrophobicContact CG2-CG1 3.44Å; V465-V492 VanDerWaalsContact CG2-CG1 3.44Å; V465-K493 HydrophobicContact CG1-CD 4.37Å; V465-K493 HydrophobicContact CG1-CG 4.11Å |
| 466 | D | 96.7 | Very high | 92.4 | Very high | 88 Ų | 88 | 54.7 Ų | 54.7 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.7 | -40.1 | -180 | -65.6 | -25.9 | 0 | 0 | 0 | 111.1 | R462 S470 | R462-D466 PolarHBondContact O-N 2.74Å; D466-S470 WeakPolarHBondContact O-CB 3.24Å; D466-S470 PolarHBondContact O-N 3.41Å |
| 467 | K | 96.4 | Very high | 92.1 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -49 | 177.3 | -179.3 | 64.5 | -178.9 | 179.4 | 0 | 112.4 | L309 N313 Y330 C463 L464 V465 E469 S470 L471 | L309-K467 HydrophobicContact CD1-CB 4.2Å; L309-K467 HydrophobicContact CD2-CG 4.09Å; N313-K467 PolarHBondContact OD1-NZ 2.66Å; Y330-K467 HydrophobicContact CE1-CG 4.15Å; Y330-K467 WeakPolarHBondContact OH-CE 3.42Å; Y330-K467 PolarHBondContact OH-NZ 3.14Å; C463-K467 WeakPolarHBondContact O-CB 3.3Å; C463-K467 PolarHBondContact O-N 2.71Å; L464-K467 PolarHBondContact O-N 3.22Å; V465-K467 PolarHBondContact O-N 2.99Å; K467-E469 VanDerWaalsContact C-N 3.31Å; K467-E469 PolarHBondContact O-N 3.3Å; K467-S470 PolarHBondContact O-N 2.67Å; K467-S470 VanDerWaalsContact O-N 3.17Å; K467-S470 PolarHBondContact O-OG 3.27Å; K467-L471 WeakPolarHBondContact O-CG 3.39Å; K467-L471 PolarHBondContact O-N 2.78Å |
| 468 | L | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.2 | -25.2 | -176.7 | -68.9 | 174.5 | 0 | 0 | 0 | 112.6 | Y330 C333 W334 L337 L464 V465 L471 K476 I489 | Y330-L468 HydrophobicContact CD1-CD2 4.1Å; C333-L468 HydrophobicContact CB-CD1 4.28Å; C333-L468 HydrophobicContact CB-CD2 4.41Å; W334-L468 HydrophobicContact CD2-CD1 3.88Å; W334-L468 HydrophobicContact CE3-CD1 4.12Å; W334-L468 HydrophobicContact CG-CD1 4.33Å; W334-L468 HydrophobicContact CH2-CB 4.24Å; W334-L468 HydrophobicContact CH2-CD1 4.38Å; W334-L468 HydrophobicContact CZ2-CB 3.94Å; W334-L468 HydrophobicContact CZ2-CD1 4.16Å; W334-L468 HydrophobicContact CZ2-CD2 4.25Å; W334-L468 HydrophobicContact CZ2-CG 4.34Å; W334-L468 HydrophobicContact CZ3-CD1 4.36Å; L337-L468 HydrophobicContact CD1-CD1 3.72Å; L337-L468 HydrophobicContact CG-CD1 4.45Å; L464-L468 WeakPolarHBondContact O-CB 3.49Å; L464-L468 VanDerWaalsContact O-CG 3.25Å; L464-L468 WeakPolarHBondContact O-CG 3.41Å; L464-L468 PolarHBondContact O-N 3.09Å; V465-L468 PolarHBondContact O-N 3.41Å; V465-L468 VanDerWaalsContact O-N 3.15Å; L468-L471 HydrophobicContact CD2-CD1 3.86Å; L468-K476 PolarHBondContact O-NZ 2.89Å; L468-I489 HydrophobicContact CB-CD1 4.44Å |
| 469 | E | 95.1 | Very high | 91.7 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.2 | -40.4 | 166.4 | -70.9 | -168.6 | 133.2 | 0 | 0 | 112.2 | V465 K467 L471 I489 K493 | V465-E469 PolarHBondContact O-N 3Å; K467-E469 VanDerWaalsContact C-N 3.31Å; K467-E469 PolarHBondContact O-N 3.3Å; E469-L471 PolarHBondContact O-N 3.48Å; E469-I489 HydrophobicContact CG-CG2 4.06Å; E469-I489 WeakPolarHBondContact OE1-CG2 3.49Å; E469-K493 IonicContact OE1-NZ 3.58Å; E469-K493 PolarHBondContact OE1-NZ 3.5Å; E469-K493 WeakPolarHBondContact OE2-CE 3.4Å; E469-K493 IonicContact OE2-NZ 2.71Å; E469-K493 PolarHBondContact OE2-NZ 2.91Å |
| 470 | S | 94.5 | Very high | 91.1 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 57% | 0.573 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.7 | -16.5 | 177.7 | 79.2 | 0 | 0 | 0 | 0 | 114.9 | D466 K467 | D466-S470 WeakPolarHBondContact O-CB 3.24Å; D466-S470 PolarHBondContact O-N 3.41Å; K467-S470 PolarHBondContact O-N 2.67Å; K467-S470 VanDerWaalsContact O-N 3.17Å; K467-S470 PolarHBondContact O-OG 3.27Å |
| 471 | L | 89.8 | Confident | 90.7 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -73.1 | 128.7 | 179.2 | -71.5 | 174.7 | 0 | 0 | 0 | 111.2 | Y330 K467 L468 E469 K476 | Y330-L471 HydrophobicContact CD1-CD1 3.78Å; Y330-L471 HydrophobicContact CD2-CD1 4.21Å; Y330-L471 HydrophobicContact CE1-CD1 3.87Å; Y330-L471 HydrophobicContact CE1-CD2 4.46Å; Y330-L471 HydrophobicContact CE2-CD1 4.3Å; Y330-L471 HydrophobicContact CE2-CD2 4.27Å; Y330-L471 HydrophobicContact CG-CD1 3.96Å; K467-L471 WeakPolarHBondContact O-CG 3.39Å; K467-L471 PolarHBondContact O-N 2.78Å; L468-L471 HydrophobicContact CD2-CD1 3.86Å; E469-L471 PolarHBondContact O-N 3.48Å; L471-K476 HydrophobicContact CB-CG 4.14Å |
| 472 | P | 84.1 | Confident | 90.5 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | trans | -64.6 | 141.4 | 174.6 | 29.1 | -34.7 | 0 | 0 | 0 | 109.5 | H474 K475 K476 | P472-H474 VanDerWaalsContact C-N 3.26Å; P472-H474 PolarHBondContact O-N 3.32Å; P472-K475 HydrophobicContact CG-CB 4.18Å; P472-K475 HydrophobicContact CG-CD 4.08Å; P472-K475 HydrophobicContact CG-CG 4.15Å; P472-K475 CarbonylContact O-C 3.52Å; P472-K475 WeakPolarHBondContact O-CA 3.18Å; P472-K475 PolarHBondContact O-N 3.42Å; P472-K476 PolarHBondContact O-N 3.17Å | ||
| 473 | L | 78.6 | Confident | 90.1 | Very high | 145 Ų | 145 | 56.9 Ų | 56.9 | 76% | 0.759 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -39.8 | -47.9 | -171.4 | -59.9 | 174.8 | 0 | 0 | 0 | 114.8 | K475 K476 | L473-K475 PolarHBondContact O-N 3.07Å; L473-K476 HydrophobicContact CD2-CD 4.18Å; L473-K476 PolarHBondContact O-N 2.7Å; L473-K476 VanDerWaalsContact O-N 3.17Å |
| 474 | H | 76.3 | Confident | 89.9 | Confident | 156 Ų | 156 | 58.7 Ų | 58.7 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -68.3 | 2.6 | 179.4 | 73.6 | -87.1 | 0 | 0 | 0 | 115.8 | P472 | P472-H474 VanDerWaalsContact C-N 3.26Å; P472-H474 PolarHBondContact O-N 3.32Å |
| 475 | K | 80.8 | Confident | 89.8 | Confident | 115 Ų | 115 | 61.7 Ų | 61.7 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -134.5 | 7.1 | 175.8 | -58.4 | -170.1 | -178.4 | -177.1 | 0 | 113.3 | P472 L473 C477 | P472-K475 HydrophobicContact CG-CB 4.18Å; P472-K475 HydrophobicContact CG-CD 4.08Å; P472-K475 HydrophobicContact CG-CG 4.15Å; P472-K475 CarbonylContact O-C 3.52Å; P472-K475 WeakPolarHBondContact O-CA 3.18Å; P472-K475 PolarHBondContact O-N 3.42Å; L473-K475 PolarHBondContact O-N 3.07Å; K475-C477 PolarHBondContact O-N 3.05Å |
| 476 | K | 82.7 | Confident | 89.6 | Confident | 17 Ų | 17 | 66.5 Ų | 66.5 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | trans | -58.9 | -28.3 | 174.6 | -86.3 | -177.8 | 171 | -84.3 | 0 | 111.6 | W334 L468 L471 P472 L473 V478 | W334-K476 PolarHBondContact NE1-O 2.8Å; L468-K476 PolarHBondContact O-NZ 2.89Å; L471-K476 HydrophobicContact CB-CG 4.14Å; P472-K476 PolarHBondContact O-N 3.17Å; L473-K476 HydrophobicContact CD2-CD 4.18Å; L473-K476 PolarHBondContact O-N 2.7Å; L473-K476 VanDerWaalsContact O-N 3.17Å; K476-V478 VanDerWaalsContact C-N 3.26Å; K476-V478 HydrophobicContact CB-CG2 4.05Å; K476-V478 PolarHBondContact O-N 3.15Å | ||
| 477 | C | 89.9 | Confident | 89.5 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | trans | 52.5 | 43.9 | 178.9 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | E331 W334 K475 | E331-C477 HydrophobicContact CG-CB 4.28Å; W334-C477 VanDerWaalsContact CD1-O 3.28Å; K475-C477 PolarHBondContact O-N 3.05Å | ||
| 478 | V | 93.1 | Very high | 89.6 | Confident | 42 Ų | 42 | 62 Ų | 62 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | trans | -61 | 123.7 | 172 | -173.7 | 0 | 0 | 0 | 0 | 108.1 | W334 K476 I482 E485 | W334-V478 HydrophobicContact CZ2-CG2 3.96Å; K476-V478 VanDerWaalsContact C-N 3.26Å; K476-V478 HydrophobicContact CB-CG2 4.05Å; K476-V478 PolarHBondContact O-N 3.15Å; V478-I482 HydrophobicContact CG1-CB 4.3Å; V478-I482 HydrophobicContact CG1-CG2 4.4Å; V478-E485 HydrophobicContact CG1-CB 4.07Å; V478-E485 HydrophobicContact CG2-CB 3.8Å; V478-E485 HydrophobicContact CG2-CG 3.98Å | ||
| 479 | P | 91.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 7% | 0.065 | 34% | 0.335 | C | S | . | . | trans | -73.7 | 150.1 | -179.9 | 31.1 | -35.4 | 0 | 0 | 0 | 110.7 | E331 W334 Y335 G481 I482 | E331-P479 HydrophobicContact CB-CB 4.24Å; W334-P479 VanDerWaalsContact CB-CD 3.41Å; W334-P479 HydrophobicContact CB-CG 3.84Å; Y335-P479 HydrophobicContact CD1-CG 4.34Å; Y335-P479 HydrophobicContact CD2-CB 4.37Å; Y335-P479 HydrophobicContact CD2-CG 4.15Å; Y335-P479 HydrophobicContact CE1-CB 4.32Å; Y335-P479 HydrophobicContact CE1-CG 3.97Å; Y335-P479 HydrophobicContact CE2-CB 3.59Å; Y335-P479 HydrophobicContact CE2-CG 3.79Å; Y335-P479 HydrophobicContact CG-CG 4.42Å; P479-G481 PolarHBondContact O-N 3.12Å; P479-I482 HydrophobicContact CG-CD1 3.85Å; P479-I482 HydrophobicContact CG-CG1 4.2Å; P479-I482 PolarHBondContact O-N 3.48Å | ||
| 480 | T | 84.6 | Confident | 89.7 | Confident | 126 Ų | 126 | 60.5 Ų | 60.5 | 77% | 0.773 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -5.2 | -179.2 | 56.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 481 | G | 88.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -4.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L350 T351 P479 | L350-G481 CarbonylContact C-O 3.45Å; L350-G481 WeakPolarHBondContact CA-O 3.12Å; L350-G481 WeakPolarHBondContact CD2-O 3.28Å; T351-G481 PolarHBondContact N-O 3.42Å; P479-G481 PolarHBondContact O-N 3.12Å |
| 482 | I | 94.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -108.4 | 141.9 | -179.5 | -68.7 | 175 | 0 | 0 | 0 | 110.9 | W334 H349 L350 V478 P479 L488 | W334-I482 HydrophobicContact CB-CD1 3.79Å; W334-I482 HydrophobicContact CE3-CD1 4.45Å; H349-I482 WeakPolarHBondContact O-CA 3.35Å; L350-I482 HydrophobicContact CD2-CG1 4.45Å; V478-I482 HydrophobicContact CG1-CB 4.3Å; V478-I482 HydrophobicContact CG1-CG2 4.4Å; P479-I482 HydrophobicContact CG-CD1 3.85Å; P479-I482 HydrophobicContact CG-CG1 4.2Å; P479-I482 PolarHBondContact O-N 3.48Å; I482-L488 HydrophobicContact CD1-CD2 3.88Å |
| 483 | E | 89.2 | Confident | 90.7 | Very high | 113 Ų | 113 | 57.6 Ų | 57.6 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -81 | -45.8 | 178.7 | -65.4 | -83.4 | -179.7 | 0 | 0 | 113.2 | H349 T351 K352 | H349-E483 PolarHBondContact O-N 3.1Å; T351-E483 WeakPolarHBondContact CA-OE1 3.49Å; T351-E483 HydrophobicContact CG2-CG 4.06Å; K352-E483 PolarHBondContact N-OE1 2.87Å |
| 484 | D | 92.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 29% | 0.292 | S | S | . | . | trans | -147 | 110.8 | -170.5 | -175.2 | -31.5 | 0 | 0 | 0 | 109.6 | D486 A487 L488 | D484-D486 PolarHBondContact OD1-N 3.29Å; D484-A487 HydrophobicContact CB-CB 3.94Å; D484-A487 VanDerWaalsContact CG-CB 3.41Å; D484-A487 WeakPolarHBondContact OD1-CB 3.45Å; D484-A487 PolarHBondContact OD1-N 3.48Å; D484-L488 PolarHBondContact O-N 3.24Å | ||
| 485 | E | 94.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.6 | -29.8 | -178 | 64.6 | -104.8 | -127.3 | 0 | 0 | 114.2 | W334 V478 I489 | W334-E485 HydrophobicContact CH2-CB 3.7Å; W334-E485 HydrophobicContact CH2-CG 4.49Å; W334-E485 HydrophobicContact CZ2-CB 4.27Å; W334-E485 HydrophobicContact CZ3-CB 3.86Å; V478-E485 HydrophobicContact CG1-CB 4.07Å; V478-E485 HydrophobicContact CG2-CB 3.8Å; V478-E485 HydrophobicContact CG2-CG 3.98Å; E485-I489 VanDerWaalsContact O-CG1 3.31Å; E485-I489 WeakPolarHBondContact O-CG1 3.32Å; E485-I489 PolarHBondContact O-N 3.11Å; E485-I489 VanDerWaalsContact O-N 3.14Å |
| 486 | D | 93.9 | Very high | 93.1 | Very high | 105 Ų | 105 | 43.5 Ų | 43.5 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -83.7 | -35.5 | -174.8 | -72.5 | -26.5 | 0 | 0 | 0 | 110.3 | D484 L488 I489 A490 | D484-D486 PolarHBondContact OD1-N 3.29Å; D486-L488 VanDerWaalsContact C-N 3.33Å; D486-I489 PolarHBondContact O-N 2.77Å; D486-A490 WeakPolarHBondContact O-CB 3.44Å; D486-A490 PolarHBondContact O-N 3.22Å |
| 487 | A | 95.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 21% | 0.207 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H349 D484 D491 | H349-A487 PolarHBondContact CE1-O 3.05Å; D484-A487 HydrophobicContact CB-CB 3.94Å; D484-A487 VanDerWaalsContact CG-CB 3.41Å; D484-A487 WeakPolarHBondContact OD1-CB 3.45Å; D484-A487 PolarHBondContact OD1-N 3.48Å; A487-D491 PolarHBondContact O-N 3.36Å |
| 488 | L | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 173.8 | 175.2 | 58 | 0 | 0 | 0 | 111.5 | W334 L337 E338 V341 H349 I482 D484 D486 A490 D491 V492 | W334-L488 HydrophobicContact CE3-CD2 4.06Å; W334-L488 HydrophobicContact CZ3-CD2 4.39Å; L337-L488 HydrophobicContact CB-CD1 4.47Å; L337-L488 HydrophobicContact CB-CD2 4.24Å; L337-L488 HydrophobicContact CB-CG 4.38Å; E338-L488 HydrophobicContact CB-CD1 4.45Å; E338-L488 HydrophobicContact CB-CD2 4.07Å; V341-L488 HydrophobicContact CB-CD1 4.27Å; V341-L488 HydrophobicContact CG2-CD1 3.92Å; H349-L488 HydrophobicContact CB-CB 4.21Å; H349-L488 HydrophobicContact CB-CD1 4.23Å; I482-L488 HydrophobicContact CD1-CD2 3.88Å; D484-L488 PolarHBondContact O-N 3.24Å; D486-L488 VanDerWaalsContact C-N 3.33Å; L488-A490 VanDerWaalsContact C-N 3.32Å; L488-A490 PolarHBondContact O-N 3.18Å; L488-D491 PolarHBondContact O-N 2.89Å; L488-V492 HydrophobicContact CD1-CG2 4.21Å; L488-V492 WeakPolarHBondContact O-CG2 3.28Å; L488-V492 PolarHBondContact O-N 2.68Å |
| 489 | I | 97.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.3 | -71.4 | -70.9 | 0 | 0 | 0 | 111.6 | W334 L337 V465 L468 E469 E485 D486 V492 K493 | W334-I489 HydrophobicContact CH2-CD1 4.01Å; W334-I489 HydrophobicContact CH2-CG1 3.77Å; W334-I489 HydrophobicContact CZ3-CD1 3.97Å; W334-I489 HydrophobicContact CZ3-CG1 3.79Å; L337-I489 HydrophobicContact CD1-CD1 3.79Å; V465-I489 HydrophobicContact CB-CD1 4.49Å; V465-I489 HydrophobicContact CG1-CD1 4.37Å; V465-I489 HydrophobicContact CG1-CG2 4.17Å; V465-I489 HydrophobicContact CG2-CD1 4.19Å; L468-I489 HydrophobicContact CB-CD1 4.44Å; E469-I489 HydrophobicContact CG-CG2 4.06Å; E469-I489 WeakPolarHBondContact OE1-CG2 3.49Å; E485-I489 VanDerWaalsContact O-CG1 3.31Å; E485-I489 WeakPolarHBondContact O-CG1 3.32Å; E485-I489 PolarHBondContact O-N 3.11Å; E485-I489 VanDerWaalsContact O-N 3.14Å; D486-I489 PolarHBondContact O-N 2.77Å; I489-V492 PolarHBondContact O-N 3.04Å; I489-K493 HydrophobicContact CG2-CD 4.29Å; I489-K493 WeakPolarHBondContact O-CG 3.33Å; I489-K493 PolarHBondContact O-N 2.96Å; I489-K493 VanDerWaalsContact O-N 3.07Å |
| 490 | A | 95.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D486 L488 V492 K493 I494 | D486-A490 WeakPolarHBondContact O-CB 3.44Å; D486-A490 PolarHBondContact O-N 3.22Å; L488-A490 VanDerWaalsContact C-N 3.32Å; L488-A490 PolarHBondContact O-N 3.18Å; A490-V492 PolarHBondContact O-N 3.18Å; A490-K493 PolarHBondContact O-N 2.86Å; A490-I494 WeakPolarHBondContact O-CG1 3.4Å; A490-I494 PolarHBondContact O-N 3.2Å; A490-I494 VanDerWaalsContact O-N 3.09Å |
| 491 | D | 96 | Very high | 93.9 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 176.3 | -86.3 | 29.2 | 0 | 0 | 0 | 112.5 | V341 R347 H349 A487 L488 K493 I494 L495 | V341-D491 HydrophobicContact CG1-CB 4.12Å; V341-D491 HydrophobicContact CG2-CB 4.34Å; R347-D491 VanDerWaalsContact CD-OD2 3.28Å; R347-D491 WeakPolarHBondContact CD-OD2 3.28Å; R347-D491 VanDerWaalsContact CZ-CG 3.43Å; R347-D491 IonicContact CZ-OD1 3.68Å; R347-D491 IonicContact CZ-OD2 2.69Å; R347-D491 IonicContact NE-OD2 2.8Å; R347-D491 PolarHBondContact NE-OD2 3.13Å; R347-D491 IonicContact NH1-OD1 3.06Å; R347-D491 PolarHBondContact NH1-OD1 2.73Å; R347-D491 IonicContact NH1-OD2 2.82Å; R347-D491 PolarHBondContact NH1-OD2 3.04Å; R347-D491 IonicContact NH2-OD1 3.81Å; R347-D491 PolarHBondContact NH2-OD1 3.18Å; R347-D491 IonicContact NH2-OD2 3.21Å; R347-D491 PolarHBondContact NH2-OD2 3.4Å; H349-D491 IonicContact CE1-OD2 3.97Å; H349-D491 PolarHBondContact CE1-OD2 3.45Å; H349-D491 VanDerWaalsContact CE1-OD2 3.25Å; H349-D491 IonicContact NE2-OD2 2.78Å; H349-D491 PolarHBondContact NE2-OD2 2.67Å; A487-D491 PolarHBondContact O-N 3.36Å; L488-D491 PolarHBondContact O-N 2.89Å; D491-K493 VanDerWaalsContact C-N 3.33Å; D491-K493 PolarHBondContact O-N 2.63Å; D491-I494 PolarHBondContact O-N 3.39Å; D491-L495 VanDerWaalsContact O-CB 3.31Å; D491-L495 WeakPolarHBondContact O-CB 3.3Å; D491-L495 PolarHBondContact O-N 3.15Å |
| 492 | V | 96.6 | Very high | 94 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | L337 V341 V465 L488 I489 A490 L495 L496 | L337-V492 HydrophobicContact CB-CG2 4.04Å; L337-V492 HydrophobicContact CD1-CG2 4.33Å; L337-V492 HydrophobicContact CD2-CG1 4.09Å; L337-V492 HydrophobicContact CD2-CG2 4.11Å; L337-V492 HydrophobicContact CG-CG2 4.39Å; V341-V492 HydrophobicContact CG2-CB 4.47Å; V341-V492 HydrophobicContact CG2-CG2 3.47Å; V341-V492 VanDerWaalsContact CG2-CG2 3.47Å; V465-V492 HydrophobicContact CG2-CB 4.04Å; V465-V492 HydrophobicContact CG2-CG1 3.44Å; V465-V492 VanDerWaalsContact CG2-CG1 3.44Å; L488-V492 HydrophobicContact CD1-CG2 4.21Å; L488-V492 WeakPolarHBondContact O-CG2 3.28Å; L488-V492 PolarHBondContact O-N 2.68Å; I489-V492 PolarHBondContact O-N 3.04Å; A490-V492 PolarHBondContact O-N 3.18Å; V492-L495 PolarHBondContact O-N 3.35Å; V492-L496 HydrophobicContact CG1-CD1 3.93Å; V492-L496 HydrophobicContact CG1-CG 4.26Å; V492-L496 WeakPolarHBondContact O-CB 3.44Å; V492-L496 VanDerWaalsContact O-CG 3.3Å; V492-L496 WeakPolarHBondContact O-CG 3.42Å; V492-L496 PolarHBondContact O-N 3.47Å |
| 493 | K | 96.8 | Very high | 93.8 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.2 | -75.9 | 175.2 | 174.3 | -178.1 | 0 | 111.8 | V465 E469 I489 A490 D491 L495 L496 E497 | V465-K493 HydrophobicContact CG1-CD 4.37Å; V465-K493 HydrophobicContact CG1-CG 4.11Å; E469-K493 IonicContact OE1-NZ 3.58Å; E469-K493 PolarHBondContact OE1-NZ 3.5Å; E469-K493 WeakPolarHBondContact OE2-CE 3.4Å; E469-K493 IonicContact OE2-NZ 2.71Å; E469-K493 PolarHBondContact OE2-NZ 2.91Å; I489-K493 HydrophobicContact CG2-CD 4.29Å; I489-K493 WeakPolarHBondContact O-CG 3.33Å; I489-K493 PolarHBondContact O-N 2.96Å; I489-K493 VanDerWaalsContact O-N 3.07Å; A490-K493 PolarHBondContact O-N 2.86Å; D491-K493 VanDerWaalsContact C-N 3.33Å; D491-K493 PolarHBondContact O-N 2.63Å; K493-L495 PolarHBondContact O-N 3.01Å; K493-L496 PolarHBondContact O-N 3.39Å; K493-E497 WeakPolarHBondContact O-CG 3.49Å; K493-E497 PolarHBondContact O-N 3.02Å |
| 494 | I | 95.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 46% | 0.456 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 174.8 | -64.8 | 163.5 | 0 | 0 | 0 | 110.3 | A490 D491 L496 E497 E498 | A490-I494 WeakPolarHBondContact O-CG1 3.4Å; A490-I494 PolarHBondContact O-N 3.2Å; A490-I494 VanDerWaalsContact O-N 3.09Å; D491-I494 PolarHBondContact O-N 3.39Å; I494-L496 VanDerWaalsContact C-N 3.32Å; I494-L496 PolarHBondContact O-N 2.59Å; I494-E497 PolarHBondContact O-N 3.17Å; I494-E497 VanDerWaalsContact O-N 3.11Å; I494-E498 HydrophobicContact CG2-CG 4.39Å; I494-E498 WeakPolarHBondContact O-CG 3.29Å; I494-E498 PolarHBondContact O-N 2.99Å |
| 495 | L | 94.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 177.9 | -178.8 | 154.8 | 0 | 0 | 0 | 112.7 | V341 I344 T345 D491 V492 K493 L499 | V341-L495 HydrophobicContact CG2-CD1 4.3Å; I344-L495 HydrophobicContact CB-CD1 3.99Å; I344-L495 HydrophobicContact CD1-CD1 4.05Å; I344-L495 HydrophobicContact CD1-CD2 4.31Å; I344-L495 HydrophobicContact CG2-CD1 3.92Å; I344-L495 HydrophobicContact CG2-CG 4.48Å; T345-L495 HydrophobicContact CG2-CD1 4.06Å; D491-L495 VanDerWaalsContact O-CB 3.31Å; D491-L495 WeakPolarHBondContact O-CB 3.3Å; D491-L495 PolarHBondContact O-N 3.15Å; V492-L495 PolarHBondContact O-N 3.35Å; K493-L495 PolarHBondContact O-N 3.01Å; L495-L499 HydrophobicContact CD2-CD1 3.79Å; L495-L499 HydrophobicContact CD2-CG 4.47Å; L495-L499 HydrophobicContact CG-CD1 4.05Å; L495-L499 VanDerWaalsContact O-CB 3.28Å; L495-L499 WeakPolarHBondContact O-CB 3.41Å; L495-L499 VanDerWaalsContact O-CG 3.28Å; L495-L499 WeakPolarHBondContact O-CG 3.43Å; L495-L499 PolarHBondContact O-N 3.23Å |
| 496 | L | 94.9 | Very high | 93.7 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 14% | 0.141 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.6 | -30.3 | 175.7 | -75.5 | 171.8 | 0 | 0 | 0 | 113 | L458 L461 R462 V492 K493 I494 A500 | L458-L496 HydrophobicContact CD2-CD2 3.89Å; L461-L496 HydrophobicContact CB-CD1 4.42Å; L461-L496 HydrophobicContact CB-CD2 3.98Å; L461-L496 HydrophobicContact CD1-CD2 4.47Å; R462-L496 HydrophobicContact CB-CD1 4.11Å; V492-L496 HydrophobicContact CG1-CD1 3.93Å; V492-L496 HydrophobicContact CG1-CG 4.26Å; V492-L496 WeakPolarHBondContact O-CB 3.44Å; V492-L496 VanDerWaalsContact O-CG 3.3Å; V492-L496 WeakPolarHBondContact O-CG 3.42Å; V492-L496 PolarHBondContact O-N 3.47Å; K493-L496 PolarHBondContact O-N 3.39Å; I494-L496 VanDerWaalsContact C-N 3.32Å; I494-L496 PolarHBondContact O-N 2.59Å; L496-A500 WeakPolarHBondContact O-CB 3.42Å; L496-A500 PolarHBondContact O-N 3.21Å |
| 497 | E | 93.6 | Very high | 93.7 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 70% | 0.701 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -74.1 | -43.5 | 173.2 | -71.1 | 173.6 | -167 | 0 | 0 | 111.3 | K493 I494 A500 | K493-E497 WeakPolarHBondContact O-CG 3.49Å; K493-E497 PolarHBondContact O-N 3.02Å; I494-E497 PolarHBondContact O-N 3.17Å; I494-E497 VanDerWaalsContact O-N 3.11Å; E497-A500 WeakPolarHBondContact O-CB 3.03Å |
| 498 | E | 92.9 | Very high | 93.6 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 59% | 0.593 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 175.5 | -72 | 179.4 | 174.5 | 0 | 0 | 112.8 | I494 | I494-E498 HydrophobicContact CG2-CG 4.39Å; I494-E498 WeakPolarHBondContact O-CG 3.29Å; I494-E498 PolarHBondContact O-N 2.99Å |
| 499 | L | 92.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3 | -176 | -58.6 | -173.2 | 0 | 0 | 0 | 114.4 | I344 V451 L453 L458 L495 N501 S502 | I344-L499 HydrophobicContact CD1-CD1 4.07Å; I344-L499 HydrophobicContact CG2-CD1 4.27Å; V451-L499 WeakPolarHBondContact O-CD2 3.45Å; L453-L499 HydrophobicContact CD1-CD1 3.74Å; L453-L499 HydrophobicContact CG-CD1 3.96Å; L458-L499 HydrophobicContact CD2-CB 4.08Å; L495-L499 HydrophobicContact CD2-CD1 3.79Å; L495-L499 HydrophobicContact CD2-CG 4.47Å; L495-L499 HydrophobicContact CG-CD1 4.05Å; L495-L499 VanDerWaalsContact O-CB 3.28Å; L495-L499 WeakPolarHBondContact O-CB 3.41Å; L495-L499 VanDerWaalsContact O-CG 3.28Å; L495-L499 WeakPolarHBondContact O-CG 3.43Å; L495-L499 PolarHBondContact O-N 3.23Å; L499-N501 PolarHBondContact O-N 2.97Å; L499-N501 VanDerWaalsContact O-N 3.12Å; L499-S502 WeakPolarHBondContact O-CB 3.31Å; L499-S502 PolarHBondContact O-N 3.5Å; L499-S502 VanDerWaalsContact O-N 3.1Å; L499-S502 PolarHBondContact O-OG 2.78Å |
| 500 | A | 90.5 | Very high | 93.1 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 51% | 0.512 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -33.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | L496 E497 S502 | L496-A500 WeakPolarHBondContact O-CB 3.42Å; L496-A500 PolarHBondContact O-N 3.21Å; E497-A500 WeakPolarHBondContact O-CB 3.03Å; A500-S502 VanDerWaalsContact C-N 3.35Å; A500-S502 PolarHBondContact O-N 3.32Å |
| 501 | N | 89.7 | Confident | 92.8 | Very high | 145 Ų | 145 | 66.8 Ų | 66.8 | 78% | 0.775 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 35.8 | -179.5 | -57.9 | -62.5 | 0 | 0 | 0 | 112.7 | L499 D503 | L499-N501 PolarHBondContact O-N 2.97Å; L499-N501 VanDerWaalsContact O-N 3.12Å; N501-D503 PolarHBondContact O-N 3.1Å |
| 502 | S | 90.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 12% | 0.119 | 36% | 0.361 | C | S | . | . | trans | -67 | 124.9 | 178.5 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | L453 L499 A500 P504 | L453-S502 PolarHBondContact N-OG 3.3Å; L453-S502 WeakPolarHBondContact O-CB 3.49Å; L499-S502 WeakPolarHBondContact O-CB 3.31Å; L499-S502 PolarHBondContact O-N 3.5Å; L499-S502 VanDerWaalsContact O-N 3.1Å; L499-S502 PolarHBondContact O-OG 2.78Å; A500-S502 VanDerWaalsContact C-N 3.35Å; A500-S502 PolarHBondContact O-N 3.32Å; S502-P504 WeakPolarHBondContact O-CD 3.35Å | ||
| 503 | D | 91.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 35% | 0.353 | 37% | 0.373 | S | S | . | . | trans | -68.9 | 125.4 | 175.3 | 177.1 | -81.9 | 0 | 0 | 0 | 110.9 | H452 N501 K505 L506 A507 | H452-D503 PolarHBondContact ND1-N 3.16Å; N501-D503 PolarHBondContact O-N 3.1Å; D503-K505 VanDerWaalsContact C-N 3.27Å; D503-K505 PolarHBondContact O-N 3.1Å; D503-K505 WeakPolarHBondContact OD1-CA 3.35Å; D503-K505 VanDerWaalsContact OD1-CB 3.28Å; D503-K505 WeakPolarHBondContact OD1-CB 3.47Å; D503-K505 PolarHBondContact OD1-N 3.39Å; D503-L506 HydrophobicContact CB-CB 4.13Å; D503-L506 HydrophobicContact CB-CD1 4.02Å; D503-L506 HydrophobicContact CB-CG 4.02Å; D503-L506 PolarHBondContact O-N 3.45Å; D503-L506 PolarHBondContact OD1-N 2.88Å; D503-A507 PolarHBondContact O-N 3.12Å | ||
| 504 | P | 91.3 | Very high | 92.3 | Very high | 94 Ų | 94 | 65.3 Ų | 65.3 | 61% | 0.61 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.5 | -176.3 | -26.1 | 35.6 | 0 | 0 | 0 | 115.5 | S502 | S502-P504 WeakPolarHBondContact O-CD 3.35Š|
| 505 | K | 91.1 | Very high | 91.7 | Very high | 171 Ų | 171 | 63.6 Ų | 63.6 | 74% | 0.743 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -40.3 | 177.7 | -59.5 | 173.8 | -178.4 | 170.9 | 0 | 110.7 | D503 A507 L508 | D503-K505 VanDerWaalsContact C-N 3.27Å; D503-K505 PolarHBondContact O-N 3.1Å; D503-K505 WeakPolarHBondContact OD1-CA 3.35Å; D503-K505 VanDerWaalsContact OD1-CB 3.28Å; D503-K505 WeakPolarHBondContact OD1-CB 3.47Å; D503-K505 PolarHBondContact OD1-N 3.39Å; K505-A507 PolarHBondContact O-N 2.93Å; K505-L508 PolarHBondContact O-N 3.24Å; K505-L508 VanDerWaalsContact O-N 3.13Å |
| 506 | L | 92 | Very high | 91.1 | Very high | 106 Ų | 106 | 65.2 Ų | 65.2 | 56% | 0.555 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23.2 | 175.4 | -59.8 | -178.3 | 0 | 0 | 0 | 112.5 | H452 D503 L508 | H452-L506 HydrophobicContact CB-CB 4.14Å; H452-L506 VanDerWaalsContact CD2-CB 3.4Å; H452-L506 WeakPolarHBondContact CD2-CB 3.36Å; H452-L506 WeakPolarHBondContact NE2-CD1 3.2Å; D503-L506 HydrophobicContact CB-CB 4.13Å; D503-L506 HydrophobicContact CB-CD1 4.02Å; D503-L506 HydrophobicContact CB-CG 4.02Å; D503-L506 PolarHBondContact O-N 3.45Å; D503-L506 PolarHBondContact OD1-N 2.88Å; L506-L508 VanDerWaalsContact C-N 3.32Å |
| 507 | A | 92.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q68 H452 T454 D503 K505 T509 | Q68-A507 PolarHBondContact NE2-O 2.98Å; H452-A507 HydrophobicContact CB-CB 4.2Å; T454-A507 HydrophobicContact CG2-CB 4.09Å; D503-A507 PolarHBondContact O-N 3.12Å; K505-A507 PolarHBondContact O-N 2.93Å; A507-T509 PolarHBondContact O-N 3Å |
| 508 | L | 94.1 | Very high | 87.9 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | trans | -81.1 | 64.7 | 175.3 | -59.6 | -172.5 | 0 | 0 | 0 | 111.1 | E65 Q68 R69 K505 L506 G510 | E65-L508 HydrophobicContact CG-CB 4.05Å; Q68-L508 HydrophobicContact CB-CD2 3.67Å; R69-L508 HydrophobicContact CB-CD1 4.4Å; R69-L508 HydrophobicContact CB-CD2 3.98Å; R69-L508 HydrophobicContact CG-CD1 4.28Å; K505-L508 PolarHBondContact O-N 3.24Å; K505-L508 VanDerWaalsContact O-N 3.13Å; L506-L508 VanDerWaalsContact C-N 3.32Å; L508-G510 VanDerWaalsContact C-N 3.3Å; L508-G510 PolarHBondContact O-N 3.46Å | ||
| 509 | T | 92.6 | Very high | 85.7 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | trans | -74.3 | -16 | -178 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | Q68 A507 V511 | Q68-T509 PolarHBondContact NE2-OG1 3.21Å; A507-T509 PolarHBondContact O-N 3Å; T509-V511 PolarHBondContact O-N 3.22Å; T509-V511 PolarHBondContact OG1-N 2.85Å; T509-V511 PolarHBondContact OG1-O 3.36Å | ||
| 510 | G | 90.9 | Very high | 82.8 | Confident | 30 Ų | 30 | 73 Ų | 73 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 70 | 5.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L508 | L508-G510 VanDerWaalsContact C-N 3.3Å; L508-G510 PolarHBondContact O-N 3.46Å |
| 511 | V | 90.4 | Very high | 80.1 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -147.5 | 129.6 | -177.8 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | T509 | T509-V511 PolarHBondContact O-N 3.22Å; T509-V511 PolarHBondContact OG1-N 2.85Å; T509-V511 PolarHBondContact OG1-O 3.36Å |
| 512 | P | 91.8 | Very high | 77.4 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | trans | -66.3 | 144.3 | -177.8 | 30.2 | -35.6 | 0 | 0 | 0 | 111 | V64 F165 V514 Q515 | V64-P512 HydrophobicContact CG1-CB 4.44Å; V64-P512 HydrophobicContact CG1-CG 4.49Å; F165-P512 HydrophobicContact CB-CG 4.43Å; F165-P512 WeakPolarHBondContact O-CG 3.36Å; P512-V514 VanDerWaalsContact C-N 3.31Å; P512-V514 PolarHBondContact O-N 3.13Å; P512-Q515 HydrophobicContact CG-CG 4.18Å | ||
| 513 | I | 92.5 | Very high | 74.4 | Confident | 53 Ų | 53 | 85.5 Ų | 85.5 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -64.9 | -35.1 | 179.8 | -173.6 | 59.7 | 0 | 0 | 0 | 112.3 | Y340 I344 V451 L453 Q515 | Y340-I513 HydrophobicContact CD1-CG2 3.97Å; Y340-I513 HydrophobicContact CE1-CG2 3.43Å; Y340-I513 VanDerWaalsContact CE1-CG2 3.43Å; I344-I513 HydrophobicContact CD1-CG1 4.31Å; I344-I513 HydrophobicContact CG1-CD1 4.45Å; I344-I513 HydrophobicContact CG1-CG1 3.83Å; V451-I513 HydrophobicContact CG1-CD1 3.92Å; V451-I513 HydrophobicContact CG1-CG1 4.11Å; V451-I513 HydrophobicContact CG2-CD1 4.31Å; L453-I513 HydrophobicContact CD2-CB 4.4Å; L453-I513 HydrophobicContact CD2-CG2 3.8Å; I513-Q515 PolarHBondContact O-N 2.89Å |
| 514 | V | 92.8 | Very high | 71.3 | Confident | 2 Ų | 2 | 91.6 Ų | 91.6 | 1% | 0.012 | 46% | 0.458 | C | S | . | . | trans | -86.6 | 108.9 | 172.5 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | N171 M172 R339 Y340 P512 | N171-V514 WeakPolarHBondContact O-CG1 3.43Å; M172-V514 HydrophobicContact CE-CB 3.88Å; M172-V514 HydrophobicContact CE-CG1 3.93Å; M172-V514 HydrophobicContact CE-CG2 4.05Å; M172-V514 HydrophobicContact SD-CB 4.3Å; M172-V514 HydrophobicContact SD-CG1 3.76Å; M172-V514 HydrophobicContact SD-CG2 4.33Å; R339-V514 HydrophobicContact CB-CG1 3.9Å; R339-V514 HydrophobicContact CB-CG2 4.49Å; Y340-V514 HydrophobicContact CD1-CG2 4.19Å; Y340-V514 HydrophobicContact CD2-CG2 3.62Å; Y340-V514 HydrophobicContact CE1-CG2 4.22Å; Y340-V514 HydrophobicContact CE2-CG2 3.64Å; Y340-V514 HydrophobicContact CG-CG2 3.89Å; P512-V514 VanDerWaalsContact C-N 3.31Å; P512-V514 PolarHBondContact O-N 3.13Å | ||
| 515 | Q | 84.3 | Confident | 68.2 | Low | 53 Ų | 53 | 92.9 Ų | 92.9 | 25% | 0.248 | 47% | 0.466 | C | S | . | . | trans | -135.9 | 159.2 | 166.6 | -98.6 | 178.4 | 13.2 | 0 | 0 | 110.8 | R339 P512 I513 | R339-Q515 PolarHBondContact NH2-O 3.46Å; P512-Q515 HydrophobicContact CG-CG 4.18Å; I513-Q515 PolarHBondContact O-N 2.89Å | ||
| 516 | W | 80.5 | Confident | 65.2 | Low | 36 Ų | 36 | 90.6 Ų | 90.6 | 14% | 0.136 | 47% | 0.467 | C | S | . | . | trans | -95.2 | 158.1 | 162.4 | -60.8 | 115.5 | 0 | 0 | 0 | 110 | D170 N171 R175 R339 | D170-W516 PolarHBondContact O-NE1 3.41Å; N171-W516 PolarHBondContact O-NE1 3.13Å; R175-W516 HydrophobicContact CG-CD2 4.31Å; R175-W516 HydrophobicContact CG-CG 4.4Å; R175-W516 HydrophobicContact CG-CZ2 4.41Å; R175-W516 VanDerWaalsContact NE-CD2 3.33Å; R339-W516 VanDerWaalsContact CD-CH2 3.48Å | ||
| 517 | P | 69.9 | Low | 62.3 | Low | 68 Ų | 68 | 96.6 Ų | 96.6 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | trans | -51.8 | 139.9 | 166.1 | -28.1 | 38.5 | 0 | 0 | 0 | 111.7 | D362 L365 R519 | D362-P517 HydrophobicContact CB-CG 4.44Å; D362-P517 WeakPolarHBondContact OD1-CD 3.37Å; D362-P517 VanDerWaalsContact OD1-CG 3.3Å; D362-P517 WeakPolarHBondContact OD1-CG 3.31Å; L365-P517 HydrophobicContact CD1-CB 4.29Å; P517-R519 PolarHBondContact O-N 3.38Å | ||
| 518 | K | 51.5 | Low | 59.2 | Low | 176 Ų | 176 | 102.4 Ų | 102.4 | 77% | 0.765 | 52% | 0.519 | S | S | * | . | trans | -70.2 | 113.9 | -169.5 | -72.2 | -176.6 | 177.2 | 178.6 | 0 | 111.7 | D520 | K518-D520 PolarHBondContact O-N 2.78Š| ||
| 519 | R | 46.8 | Very low | 56.1 | Low | 84 Ų | 84 | 109.1 Ų | 109.1 | 32% | 0.317 | 55% | 0.547 | S | S | . | . | trans | -78.5 | 102.7 | 160.1 | -92.9 | 177.3 | 179.8 | -146.7 | -15.5 | 109.3 | E179 M361 E364 L365 P517 K521 | E179-R519 IonicContact OE1-CZ 3.22Å; E179-R519 IonicContact OE1-NH1 2.71Å; E179-R519 PolarHBondContact OE1-NH1 3.3Å; E179-R519 IonicContact OE2-CZ 3.61Å; E179-R519 IonicContact OE2-NH1 3.22Å; E179-R519 PolarHBondContact OE2-NH1 2.71Å; M361-R519 PolarHBondContact O-NH2 3.32Å; E364-R519 IonicContact OE2-NH2 3.2Å; E364-R519 PolarHBondContact OE2-NH2 2.77Å; L365-R519 HydrophobicContact CD1-CG 3.87Å; L365-R519 HydrophobicContact CD2-CG 3.4Å; L365-R519 VanDerWaalsContact CD2-CG 3.4Å; L365-R519 HydrophobicContact CG-CG 4.28Å; P517-R519 PolarHBondContact O-N 3.38Å; R519-K521 PolarHBondContact O-N 3.45Å | ||
| 520 | D | 31.6 | Very low | 53 | Low | 151 Ų | 151 | 111.5 Ų | 111.5 | 81% | 0.807 | 56% | 0.56 | S | S | * | * | trans | -64.8 | 132.2 | 170.2 | -131.9 | 21.6 | 0 | 0 | 0 | 109.2 | K518 L522 | K518-D520 PolarHBondContact O-N 2.78Å; D520-L522 PolarHBondContact O-N 2.79Å | ||
| 521 | K | 35.4 | Very low | 49.9 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 68% | 0.683 | 59% | 0.589 | S | S | * | * | trans | -77.1 | 67.6 | -164.1 | -70.4 | 176.6 | 177.8 | 171.8 | 0 | 111.8 | D164 R519 K523 | D164-K521 IonicContact OD2-NZ 3.36Å; D164-K521 PolarHBondContact OD2-NZ 3.09Å; R519-K521 PolarHBondContact O-N 3.45Å; K521-K523 PolarHBondContact O-N 3.04Å | ||
| 522 | L | 31.7 | Very low | 47.1 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 126.4 | -179.7 | -114.1 | 167.3 | 0 | 0 | 0 | 111.3 | D520 F524 | D520-L522 PolarHBondContact O-N 2.79Å; L522-F524 PolarHBondContact O-N 2.9Å |
| 523 | K | 27.5 | Very low | 44.1 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 121.4 | 174.9 | -64 | 164.2 | -174.3 | 163.4 | 0 | 108.3 | K521 | K521-K523 PolarHBondContact O-N 3.04Š|
| 524 | F | 27 | Very low | 41 | Very low | 194 Ų | 194 | 132.8 Ų | 132.8 | 85% | 0.851 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 125.6 | 170 | -82.8 | -83.4 | 0 | 0 | 0 | 110 | L522 T526 | L522-F524 PolarHBondContact O-N 2.9Å; F524-T526 PolarHBondContact O-N 2.81Å |
| 525 | P | 26.3 | Very low | 38 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 116.3 | -175.4 | 23.1 | -32.5 | 0 | 0 | 0 | 110.1 | R527 | P525-R527 PolarHBondContact O-N 2.94Š|
| 526 | T | 27.4 | Very low | 35.4 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 124.7 | 169.3 | 28.1 | 0 | 0 | 0 | 0 | 109.4 | F524 | F524-T526 PolarHBondContact O-N 2.81Š|
| 527 | R | 30.9 | Very low | 33 | Very low | 231 Ų | 231 | 148.4 Ų | 148.4 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -47 | 135.2 | 169.2 | -72.3 | -177 | 174.1 | -175.9 | -1.2 | 109.5 | P525 K529 | P525-R527 PolarHBondContact O-N 2.94Å; R527-K529 PolarHBondContact O-N 3.36Å; R527-K529 VanDerWaalsContact O-N 3.17Å |
| 528 | P | 26.8 | Very low | 31 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -59 | 121.1 | -167.9 | 20.4 | -32.4 | 0 | 0 | 0 | 111.7 | V530 | P528-V530 PolarHBondContact O-N 2.99Å; P528-V530 VanDerWaalsContact O-N 3.14Å |
| 529 | K | 28.8 | Very low | 29.8 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -73.3 | 100.7 | 172.5 | -69.9 | -177.1 | -179.4 | 178 | 0 | 109 | R527 R531 | R527-K529 PolarHBondContact O-N 3.36Å; R527-K529 VanDerWaalsContact O-N 3.17Å; K529-R531 PolarHBondContact O-N 2.64Å | ||
| 530 | V | 29.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 152.9 Ų | 152.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -59.5 | 118.3 | 164.2 | 178.6 | 0 | 0 | 0 | 0 | 108 | P528 V532 | P528-V530 PolarHBondContact O-N 2.99Å; P528-V530 VanDerWaalsContact O-N 3.14Å; V530-V532 PolarHBondContact O-N 2.86Å | ||
| 531 | R | 25.8 | Very low | 29.3 | Very low | 241 Ų | 241 | 153.3 Ų | 153.3 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -69.7 | 126.1 | 174.1 | -70.9 | 179.5 | 175.5 | 173.7 | -1.8 | 108.9 | K529 | K529-R531 PolarHBondContact O-N 2.64Š| ||
| 532 | V | 31.3 | Very low | 29.1 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -105.5 | 135.4 | 163.5 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | V530 | V530-V532 PolarHBondContact O-N 2.86Š| ||
| 533 | P | 28.6 | Very low | 28.8 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -65.9 | 148 | -174.3 | -22.4 | 34.2 | 0 | 0 | 0 | 113.9 | ||||
| 534 | T | 26.6 | Very low | 28.7 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -85.3 | 130.7 | 171.7 | -51.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 535 | I | 31.4 | Very low | 29.1 | Very low | 150 Ų | 150 | 150 Ų | 150 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -128.8 | 137 | 167.9 | -64.7 | -177.1 | 0 | 0 | 0 | 106.7 | ||||
| 536 | P | 28 | Very low | 28.9 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -80.8 | 166.9 | -156.8 | 30.7 | -37 | 0 | 0 | 0 | 115.8 | ||||
| 537 | I | 30.3 | Very low | 29.1 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -78.1 | 132 | -174.2 | -61.1 | 167.1 | 0 | 0 | 0 | 111.8 | ||||
| 538 | T | 28.1 | Very low | 28.8 | Very low | 137 Ų | 137 | 148 Ų | 148 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -131.7 | 156.7 | 152.8 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 539 | K | 27.2 | Very low | 28.7 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -132 | 174.9 | 172.5 | -66.2 | -177.9 | 179.9 | 175.9 | 0 | 106.7 | ||||
| 540 | P | 42.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 146 Ų | 146 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | cis | -131.8 | -167.3 | -8.2 | 14 | 13.8 | 0 | 0 | 0 | 114 | ||||
| 541 | H | 25.8 | Very low | 28.4 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 101.4 | 116.4 | 151.1 | -63.5 | -68.1 | 0 | 0 | 0 | 122.4 | ||||
| 542 | T | 30.6 | Very low | 28.6 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | 45.9 | 114.4 | 138 | 59.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 543 | M | 26.1 | Very low | 28.3 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | -173.6 | 178.8 | 106.8 | -103.4 | -60.4 | 138.7 | 0 | 0 | 113.8 | |||||
| 544 | K | 23.8 | Very low | 28.2 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -100.6 | 167.3 | 179.9 | -95.1 | -176.5 | 174.8 | 177.9 | 0 | 113.1 | ||||
| 545 | P | 35.2 | Very low | 28.3 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -113.7 | 159.5 | -150.4 | 41.1 | -35.6 | 0 | 0 | 0 | 117.4 | ||||
| 546 | A | 23.2 | Very low | 28.1 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -170.8 | 175.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 547 | P | 31.8 | Very low | 28.2 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | -137.1 | 156.2 | -85.4 | 39.5 | -21.8 | 0 | 0 | 0 | 117.6 | |||||
| 548 | R | 24.7 | Very low | 28 | Very low | 224 Ų | 224 | 139.7 Ų | 139.7 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 64 | 162.8 | 166.6 | -66.1 | -175.1 | 178.7 | -123.5 | 0.2 | 115.8 | ||||
| 549 | L | 23.3 | Very low | 28 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | cis | -123.5 | 171.9 | 6.4 | -77.1 | 167.3 | 0 | 0 | 0 | 112.6 | ||||
| 550 | T | 27 | Very low | 28.1 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -95.5 | 162.1 | 178 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 551 | P | 26.2 | Very low | 27.4 | Very low | 135 Ų | 135 | 137 Ų | 137 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | -123.6 | 171.3 | 121.1 | -0.9 | 22 | 0 | 0 | 0 | 114.1 | |||||
| 552 | V | 28.4 | Very low | 27.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -109.3 | 145.5 | -163.9 | 175.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 553 | R | 25.5 | Very low | 27.6 | Very low | 239 Ų | 239 | 132.5 Ų | 132.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -153.2 | 161.3 | 146.8 | -105.8 | -173.3 | 178.2 | -175 | -1.2 | 111.3 | ||||
| 554 | P | 27.2 | Very low | 28 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 162 | -146.1 | 36.7 | -39.5 | 0 | 0 | 0 | 116.5 | ||
| 555 | A | 28.1 | Very low | 29.2 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 147.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 556 | A | 27.8 | Very low | 30.2 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 145.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 557 | A | 28.8 | Very low | 31.8 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 88% | 0.876 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 155.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 558 | S | 26.8 | Very low | 33.8 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -113.9 | 149.3 | 169.1 | -65 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 559 | P | 29 | Very low | 36.4 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | trans | -66.8 | 142.9 | -179.4 | 27.3 | -34.4 | 0 | 0 | 0 | 112.2 | ||||
| 560 | I | 28.2 | Very low | 39.1 | Very low | 100 Ų | 100 | 119.2 Ų | 119.2 | 51% | 0.513 | 69% | 0.69 | S | S | . | * | trans | -94.3 | 132.1 | -174.1 | -65 | 173.9 | 0 | 0 | 0 | 110.5 | E647 | I560-E647 HydrophobicContact CD1-CG 3.97Š| ||
| 561 | V | 27.9 | Very low | 41.5 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 81% | 0.806 | 66% | 0.661 | S | S | * | * | trans | -88.3 | 109 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 562 | S | 27.3 | Very low | 44 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 139.1 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 563 | G | 33.6 | Very low | 46.2 | Very low | 71 Ų | 71 | 118.7 Ų | 118.7 | 73% | 0.732 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.9 | -15 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 564 | A | 34.6 | Very low | 48.6 | Very low | 72 Ų | 72 | 108.5 Ų | 108.5 | 60% | 0.595 | 62% | 0.615 | S | S | * | * | trans | -102 | 87.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R566 | A564-R566 PolarHBondContact O-N 2.82Š| ||
| 565 | R | 47.7 | Very low | 50.9 | Low | 157 Ų | 157 | 110.6 Ų | 110.6 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | trans | -54.8 | 129 | 169.3 | -86.3 | -166.4 | 177.6 | -165.7 | 0.2 | 110.5 | ||||
| 566 | R | 56.9 | Low | 53.4 | Low | 134 Ų | 134 | 106.2 Ų | 106.2 | 51% | 0.506 | 58% | 0.575 | S | S | . | * | trans | -74 | 150.3 | -172.7 | -57.4 | -176.4 | -172.1 | -170.9 | 2.2 | 110.8 | A564 R568 | A564-R566 PolarHBondContact O-N 2.82Å; R566-R568 PolarHBondContact O-N 3.12Å | ||
| 567 | R | 56.9 | Low | 55.9 | Low | 237 Ų | 237 | 101.9 Ų | 101.9 | 89% | 0.894 | 54% | 0.538 | S | S | * | . | trans | -70.3 | 101.2 | 177.6 | -78 | -172.5 | 177.8 | 178.3 | 0.6 | 110.5 | ||||
| 568 | R | 74.5 | Confident | 58.3 | Low | 53 Ų | 53 | 101.6 Ų | 101.6 | 20% | 0.2 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 146.9 | 173.5 | -73.7 | 167.9 | 163.2 | -104.7 | -2.6 | 112 | R566 P612 R613 L614 E641 P667 N668 | R566-R568 PolarHBondContact O-N 3.12Å; R568-P612 HydrophobicContact CB-CB 3.96Å; R568-P612 PolarHBondContact NH1-O 2.91Å; R568-P612 VanDerWaalsContact NH1-O 3.07Å; R568-R613 CarbonylContact C-O 3.59Å; R568-R613 WeakPolarHBondContact CA-O 3.48Å; R568-R613 VanDerWaalsContact CB-O 3.28Å; R568-R613 WeakPolarHBondContact CB-O 3.24Å; R568-L614 HydrophobicContact CG-CD2 4.39Å; R568-E641 IonicContact CZ-OE2 3.15Å; R568-E641 IonicContact NE-OE2 2.97Å; R568-E641 PolarHBondContact NE-OE2 3.09Å; R568-E641 IonicContact NH2-OE2 3.15Å; R568-E641 PolarHBondContact NH2-OE2 3.43Å; R568-P667 PolarHBondContact NH1-O 2.9Å; R568-N668 PolarHBondContact NH2-O 2.66Å |
| 569 | V | 78.9 | Confident | 60.9 | Low | 54 Ų | 54 | 100.3 Ų | 100.3 | 33% | 0.327 | 51% | 0.509 | S | S | . | . | B | Isolated β-bridge | trans | -96.3 | 158.8 | -176.3 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | C571 P612 R613 L614 P615 | V569-C571 PolarHBondContact O-N 3.01Å; V569-P612 CarbonylContact O-C 3.6Å; V569-P612 VanDerWaalsContact O-CA 3.25Å; V569-P612 WeakPolarHBondContact O-CA 3.22Å; V569-R613 WeakPolarHBondContact CG2-O 3.22Å; V569-R613 PolarHBondContact N-O 2.7Å; V569-R613 PolarHBondContact O-N 2.7Å; V569-L614 WeakPolarHBondContact CG2-O 3.33Å; V569-P615 HydrophobicContact CG1-CB 4.02Å; V569-P615 HydrophobicContact CG1-CG 4.04Å |
| 570 | R | 79.8 | Confident | 63.3 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 38% | 0.381 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 128.8 | 174.9 | -58 | -179.1 | 178.8 | -130.9 | -20.7 | 109.6 | R572 S603 R607 C609 | R570-R572 PolarHBondContact O-N 3.12Å; R570-S603 VanDerWaalsContact NH2-CB 3.33Å; R570-S603 PolarHBondContact NH2-OG 3.45Å; R570-R607 VanDerWaalsContact CZ-O 3.3Å; R570-R607 PolarHBondContact NH1-O 3.02Å; R570-C609 HydrophobicContact CB-CB 4.07Å; R570-C609 HydrophobicContact CG-CB 3.96Å |
| 571 | C | 78.4 | Confident | 65.9 | Low | 19 Ų | 19 | 94.1 Ų | 94.1 | 13% | 0.128 | 48% | 0.48 | C | S | . | . | trans | -64 | -7.5 | 177.5 | 65.2 | 0 | 0 | 0 | 0 | 115.3 | V569 K573 C574 C609 A611 R613 | V569-C571 PolarHBondContact O-N 3.01Å; C571-K573 PolarHBondContact O-N 3.12Å; C571-C574 VanDerWaalsContact SG-SG 3.67Å; C571-C609 PolarHBondContact N-SG 2.97Å; C571-C609 VanDerWaalsContact N-SG 3.39Å; C571-A611 VanDerWaalsContact CB-O 3.31Å; C571-A611 WeakPolarHBondContact CB-O 3.29Å; C571-R613 HydrophobicContact CB-CG 4.26Å | ||
| 572 | R | 77.8 | Confident | 68.7 | Low | 209 Ų | 209 | 89.8 Ų | 89.8 | 79% | 0.789 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 58.4 | -21.4 | -174.8 | -58.2 | -173.3 | -177.4 | -166.2 | 0.4 | 116.5 | R570 C577 V578 | R570-R572 PolarHBondContact O-N 3.12Å; R572-C577 WeakPolarHBondContact O-CB 3.49Å; R572-V578 VanDerWaalsContact O-CG1 3.28Å; R572-V578 WeakPolarHBondContact O-CG1 3.48Å |
| 573 | K | 74.3 | Confident | 71.2 | Confident | 145 Ų | 145 | 85.5 Ų | 85.5 | 63% | 0.63 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -93 | -26.6 | -172.6 | -63.7 | 171.2 | 177.8 | 178.7 | 0 | 115.1 | C571 E630 | C571-K573 PolarHBondContact O-N 3.12Å; K573-E630 IonicContact NZ-OE2 3.99Å; K573-E630 PolarHBondContact NZ-OE2 3.11Å |
| 574 | C | 75.6 | Confident | 73.3 | Confident | 26 Ų | 26 | 87 Ų | 87 | 18% | 0.176 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -74 | 158.2 | -178.2 | 80.9 | 0 | 0 | 0 | 0 | 113.5 | C571 A576 C577 V578 | C571-C574 VanDerWaalsContact SG-SG 3.67Å; C574-A576 VanDerWaalsContact C-N 3.33Å; C574-A576 PolarHBondContact O-N 2.81Å; C574-A576 VanDerWaalsContact O-N 3.16Å; C574-C577 WeakPolarHBondContact O-CA 3.3Å; C574-C577 WeakPolarHBondContact O-CB 3.38Å; C574-C577 PolarHBondContact O-N 2.88Å; C574-V578 PolarHBondContact O-N 3.48Å |
| 575 | K | 75.9 | Confident | 75.7 | Confident | 163 Ų | 163 | 84.7 Ų | 84.7 | 71% | 0.709 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -46.5 | -49.3 | -175.8 | -173.2 | 170.6 | -178.6 | 173 | 0 | 113.6 | C577 V578 Q579 | K575-C577 VanDerWaalsContact C-N 3.33Å; K575-C577 PolarHBondContact O-N 2.82Å; K575-V578 VanDerWaalsContact O-CG2 3.28Å; K575-V578 WeakPolarHBondContact O-CG2 3.29Å; K575-V578 PolarHBondContact O-N 3.21Å; K575-Q579 WeakPolarHBondContact O-CB 3.42Å; K575-Q579 PolarHBondContact O-N 2.79Å |
| 576 | A | 81.6 | Confident | 77.5 | Confident | 9 Ų | 9 | 83.2 Ų | 83.2 | 7% | 0.074 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.4 | -28.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C574 L606 R607 Q608 L610 | C574-A576 VanDerWaalsContact C-N 3.33Å; C574-A576 PolarHBondContact O-N 2.81Å; C574-A576 VanDerWaalsContact O-N 3.16Å; A576-L606 WeakPolarHBondContact CB-O 3.4Å; A576-R607 VanDerWaalsContact O-CA 3.24Å; A576-R607 WeakPolarHBondContact O-CA 3.35Å; A576-Q608 WeakPolarHBondContact CB-O 3.31Å; A576-L610 HydrophobicContact CB-CG 4.25Å |
| 577 | C | 79.1 | Confident | 79 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.3 | -44.3 | 176.2 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | R572 C574 K575 R607 C609 | R572-C577 WeakPolarHBondContact O-CB 3.49Å; C574-C577 WeakPolarHBondContact O-CA 3.3Å; C574-C577 WeakPolarHBondContact O-CB 3.38Å; C574-C577 PolarHBondContact O-N 2.88Å; K575-C577 VanDerWaalsContact C-N 3.33Å; K575-C577 PolarHBondContact O-N 2.82Å; C577-R607 PolarHBondContact O-NH2 2.68Å; C577-R607 VanDerWaalsContact O-NH2 3.15Å; C577-C609 PolarHBondContact SG-SG 3.27Å |
| 578 | V | 80.2 | Confident | 80.3 | Confident | 101 Ų | 101 | 69 Ų | 69 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -79.7 | -24.2 | -178.9 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | R572 C574 K575 | R572-V578 VanDerWaalsContact O-CG1 3.28Å; R572-V578 WeakPolarHBondContact O-CG1 3.48Å; C574-V578 PolarHBondContact O-N 3.48Å; K575-V578 VanDerWaalsContact O-CG2 3.28Å; K575-V578 WeakPolarHBondContact O-CG2 3.29Å; K575-V578 PolarHBondContact O-N 3.21Å |
| 579 | Q | 80.2 | Confident | 80.9 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 35% | 0.346 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -61.3 | 140.9 | 177.2 | -177 | 166.1 | -7.7 | 0 | 0 | 111.7 | K575 R607 | K575-Q579 WeakPolarHBondContact O-CB 3.42Å; K575-Q579 PolarHBondContact O-N 2.79Å; Q579-R607 VanDerWaalsContact O-CD 3.24Å; Q579-R607 WeakPolarHBondContact O-CD 3.44Å; Q579-R607 WeakPolarHBondContact O-CG 3.29Å; Q579-R607 PolarHBondContact O-NE 3.12Å |
| 580 | G | 79.5 | Confident | 81.2 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 54% | 0.536 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 172 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 581 | E | 84.2 | Confident | 81.6 | Confident | 49 Ų | 49 | 69.4 Ų | 69.4 | 23% | 0.229 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 124.2 | 176.2 | -69.8 | 168.7 | -153 | 0 | 0 | 109.7 | G583 K593 F594 C604 R607 | E581-G583 PolarHBondContact O-N 3.01Å; E581-G583 VanDerWaalsContact O-N 3.11Å; E581-K593 VanDerWaalsContact CD-NZ 3.32Å; E581-K593 IonicContact OE1-NZ 3.94Å; E581-K593 PolarHBondContact OE1-NZ 3.17Å; E581-K593 WeakPolarHBondContact OE2-CE 3.19Å; E581-K593 IonicContact OE2-NZ 3.92Å; E581-K593 PolarHBondContact OE2-NZ 3.05Å; E581-F594 HydrophobicContact CB-CE2 3.84Å; E581-F594 HydrophobicContact CB-CZ 3.9Å; E581-C604 HydrophobicContact CB-CB 4.23Å; E581-C604 HydrophobicContact CG-CB 3.92Å; E581-R607 HydrophobicContact CG-CG 4.47Å; E581-R607 IonicContact OE1-CZ 3.77Å; E581-R607 IonicContact OE1-NH1 2.68Å; E581-R607 PolarHBondContact OE1-NH1 3.12Å |
| 582 | C | 84.8 | Confident | 81.9 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 28% | 0.284 | 37% | 0.374 | S | S | . | . | trans | -72.9 | -4.9 | -164.8 | 67.3 | 0 | 0 | 0 | 0 | 115.9 | V584 C585 L606 | C582-V584 HydrophobicContact CB-CG2 4.44Å; C582-V584 PolarHBondContact O-N 2.99Å; C582-C585 VanDerWaalsContact SG-CB 3.56Å; C582-C585 PolarHBondContact SG-N 2.86Å; C582-C585 VanDerWaalsContact SG-N 3.44Å; C582-L606 HydrophobicContact CB-CD1 3.96Å | ||
| 583 | G | 81.6 | Confident | 82.2 | Confident | 16 Ų | 16 | 73 Ų | 73 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 68.5 | -42.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E581 C588 | E581-G583 PolarHBondContact O-N 3.01Å; E581-G583 VanDerWaalsContact O-N 3.11Å; G583-C588 VanDerWaalsContact C-CB 3.41Å; G583-C588 VanDerWaalsContact O-CB 3.23Å; G583-C588 WeakPolarHBondContact O-CB 3.32Å |
| 584 | V | 77.1 | Confident | 82.7 | Confident | 104 Ų | 104 | 70.2 Ų | 70.2 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -90.7 | -24.8 | -164.4 | -59.6 | 0 | 0 | 0 | 0 | 115.7 | C582 R589 | C582-V584 HydrophobicContact CB-CG2 4.44Å; C582-V584 PolarHBondContact O-N 2.99Å; V584-R589 WeakPolarHBondContact O-CD 3.49Å; V584-R589 PolarHBondContact O-NE 3.36Å |
| 585 | C | 85.2 | Confident | 82.6 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -68.7 | 155.4 | 178.6 | 81.4 | 0 | 0 | 0 | 0 | 111.2 | C582 Y587 C588 R589 V605 | C582-C585 VanDerWaalsContact SG-CB 3.56Å; C582-C585 PolarHBondContact SG-N 2.86Å; C582-C585 VanDerWaalsContact SG-N 3.44Å; C585-Y587 VanDerWaalsContact C-N 3.28Å; C585-Y587 PolarHBondContact O-N 2.83Å; C585-Y587 VanDerWaalsContact O-N 3.15Å; C585-C588 CarbonylContact O-C 3.52Å; C585-C588 WeakPolarHBondContact O-CA 3.35Å; C585-C588 WeakPolarHBondContact O-CB 3.25Å; C585-C588 PolarHBondContact O-N 3.16Å; C585-C588 VanDerWaalsContact SG-SG 3.62Å; C585-R589 PolarHBondContact O-N 2.69Å; C585-V605 HydrophobicContact CB-CB 4.38Å; C585-V605 HydrophobicContact CB-CG2 4.12Å; C585-V605 PolarHBondContact SG-N 3.46Å; C585-V605 VanDerWaalsContact SG-N 3.43Å |
| 586 | H | 85.4 | Confident | 83 | Confident | 125 Ų | 125 | 65.3 Ų | 65.3 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -51.5 | -42.7 | -175.5 | -176.2 | 41.1 | 0 | 0 | 0 | 113.6 | C588 R589 D590 | H586-C588 VanDerWaalsContact C-N 3.35Å; H586-C588 PolarHBondContact O-N 2.84Å; H586-R589 PolarHBondContact O-N 2.76Å; H586-D590 PolarHBondContact O-N 2.87Å |
| 587 | Y | 88.4 | Confident | 82.8 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 28% | 0.282 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.1 | -22.8 | 177.1 | -53 | -32.9 | 0 | 0 | 0 | 114.2 | C585 M591 M600 Q602 S603 V605 | C585-Y587 VanDerWaalsContact C-N 3.28Å; C585-Y587 PolarHBondContact O-N 2.83Å; C585-Y587 VanDerWaalsContact O-N 3.15Å; Y587-M591 WeakPolarHBondContact O-CG 3.48Å; Y587-M600 HydrophobicContact CD1-CE 4.3Å; Y587-M600 HydrophobicContact CD1-SD 4.1Å; Y587-M600 HydrophobicContact CE1-CE 4.05Å; Y587-M600 HydrophobicContact CE1-SD 4.45Å; Y587-Q602 HydrophobicContact CD1-CB 3.9Å; Y587-Q602 HydrophobicContact CD1-CG 4.26Å; Y587-Q602 HydrophobicContact CD2-CB 3.98Å; Y587-Q602 HydrophobicContact CE1-CB 4.39Å; Y587-Q602 HydrophobicContact CE1-CG 4.34Å; Y587-Q602 HydrophobicContact CE2-CB 4.46Å; Y587-Q602 HydrophobicContact CG-CB 3.69Å; Y587-Q602 HydrophobicContact CG-CG 4.49Å; Y587-S603 WeakPolarHBondContact CD2-O 3.5Å; Y587-V605 HydrophobicContact CD2-CG2 3.46Å; Y587-V605 VanDerWaalsContact CD2-CG2 3.46Å; Y587-V605 HydrophobicContact CE2-CG2 3.68Å; Y587-V605 HydrophobicContact CG-CG2 4.33Å |
| 588 | C | 85.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -77.8 | -41.9 | 168.4 | -74.6 | 0 | 0 | 0 | 0 | 111.1 | G583 C585 H586 D590 M591 F594 C604 | G583-C588 VanDerWaalsContact C-CB 3.41Å; G583-C588 VanDerWaalsContact O-CB 3.23Å; G583-C588 WeakPolarHBondContact O-CB 3.32Å; C585-C588 CarbonylContact O-C 3.52Å; C585-C588 WeakPolarHBondContact O-CA 3.35Å; C585-C588 WeakPolarHBondContact O-CB 3.25Å; C585-C588 PolarHBondContact O-N 3.16Å; C585-C588 VanDerWaalsContact SG-SG 3.62Å; H586-C588 VanDerWaalsContact C-N 3.35Å; H586-C588 PolarHBondContact O-N 2.84Å; C588-D590 PolarHBondContact O-N 3.1Å; C588-M591 WeakPolarHBondContact O-CB 3.48Å; C588-M591 PolarHBondContact O-N 2.87Å; C588-F594 HydrophobicContact CB-CD2 3.93Å; C588-F594 HydrophobicContact CB-CE2 4.12Å; C588-F594 WeakPolarHBondContact O-CB 3.45Å; C588-F594 WeakPolarHBondContact O-CD2 3.24Å; C588-C604 WeakPolarHBondContact SG-CB 3.32Å; C588-C604 VanDerWaalsContact SG-SG 3.67Å |
| 589 | R | 85.3 | Confident | 82.8 | Confident | 173 Ų | 173 | 73 Ų | 73 | 65% | 0.653 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.2 | -18.3 | 174.9 | -71.2 | -176.2 | 170.3 | -168.7 | -2.4 | 113.8 | V584 C585 H586 G596 | V584-R589 WeakPolarHBondContact O-CD 3.49Å; V584-R589 PolarHBondContact O-NE 3.36Å; C585-R589 PolarHBondContact O-N 2.69Å; H586-R589 PolarHBondContact O-N 2.76Å; R589-G596 WeakPolarHBondContact O-CA 3.09Å |
| 590 | D | 86.4 | Confident | 82.7 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.064 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -27.4 | 166.8 | 174.8 | 69.9 | 0 | 0 | 0 | 113.2 | H586 C588 K592 G596 G598 R599 M600 K601 | H586-D590 PolarHBondContact O-N 2.87Å; C588-D590 PolarHBondContact O-N 3.1Å; D590-K592 PolarHBondContact O-N 2.73Å; D590-G596 CarbonylContact O-C 3.49Å; D590-G596 VanDerWaalsContact O-CA 3.3Å; D590-G596 WeakPolarHBondContact O-CA 2.99Å; D590-G598 WeakPolarHBondContact O-CA 3.46Å; D590-G598 PolarHBondContact O-N 3.25Å; D590-G598 PolarHBondContact OD1-N 3.39Å; D590-R599 PolarHBondContact OD1-N 2.96Å; D590-R599 PolarHBondContact OD2-N 2.88Å; D590-M600 HydrophobicContact CB-CB 4.23Å; D590-M600 HydrophobicContact CB-CG 4.01Å; D590-M600 HydrophobicContact CB-SD 4.07Å; D590-M600 VanDerWaalsContact CG-N 3.31Å; D590-M600 PolarHBondContact OD1-N 2.93Å; D590-M600 WeakPolarHBondContact OD2-CA 3.47Å; D590-M600 VanDerWaalsContact OD2-CB 3.31Å; D590-M600 WeakPolarHBondContact OD2-CB 3.44Å; D590-M600 PolarHBondContact OD2-N 3.43Å; D590-K601 PolarHBondContact OD2-N 3.12Å |
| 591 | M | 87.4 | Confident | 82.7 | Confident | 32 Ų | 32 | 79.3 Ų | 79.3 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -70.5 | 134 | -175.1 | -67.2 | 166.5 | 169.8 | 0 | 0 | 112.3 | Y587 C588 K593 F594 G596 Q602 | Y587-M591 WeakPolarHBondContact O-CG 3.48Å; C588-M591 WeakPolarHBondContact O-CB 3.48Å; C588-M591 PolarHBondContact O-N 2.87Å; M591-K593 VanDerWaalsContact C-N 3.25Å; M591-K593 HydrophobicContact CB-CG 4.44Å; M591-K593 PolarHBondContact O-N 3.2Å; M591-K593 VanDerWaalsContact O-N 3.11Å; M591-F594 HydrophobicContact CB-CD2 4.09Å; M591-F594 PolarHBondContact O-N 3.02Å; M591-F594 HydrophobicContact SD-CD2 4.2Å; M591-F594 HydrophobicContact SD-CE2 4.11Å; M591-G596 PolarHBondContact O-N 3.47Å; M591-G596 VanDerWaalsContact O-N 3.08Å; M591-Q602 VanDerWaalsContact CE-O 3.23Å; M591-Q602 WeakPolarHBondContact CE-O 3.42Å |
| 592 | K | 86 | Confident | 82.6 | Confident | 163 Ų | 163 | 82 Ų | 82 | 71% | 0.709 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -50.7 | -38.5 | 179.8 | -62.6 | -164.3 | 172.6 | -165.3 | 0 | 114.6 | D590 F594 G595 G596 P597 | D590-K592 PolarHBondContact O-N 2.73Å; K592-F594 PolarHBondContact O-N 2.79Å; K592-G595 PolarHBondContact O-N 3.03Å; K592-G596 VanDerWaalsContact CA-O 3.25Å; K592-G596 WeakPolarHBondContact CA-O 3.4Å; K592-P597 WeakPolarHBondContact CE-O 3.44Å |
| 593 | K | 83.4 | Confident | 82.4 | Confident | 140 Ų | 140 | 81.4 Ų | 81.4 | 61% | 0.609 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -71.4 | -5.9 | 178 | 70.3 | -177.5 | 179.9 | -173.6 | 0 | 115.5 | E581 M591 | E581-K593 VanDerWaalsContact CD-NZ 3.32Å; E581-K593 IonicContact OE1-NZ 3.94Å; E581-K593 PolarHBondContact OE1-NZ 3.17Å; E581-K593 WeakPolarHBondContact OE2-CE 3.19Å; E581-K593 IonicContact OE2-NZ 3.92Å; E581-K593 PolarHBondContact OE2-NZ 3.05Å; M591-K593 VanDerWaalsContact C-N 3.25Å; M591-K593 HydrophobicContact CB-CG 4.44Å; M591-K593 PolarHBondContact O-N 3.2Å; M591-K593 VanDerWaalsContact O-N 3.11Å |
| 594 | F | 83.8 | Confident | 82.6 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 38% | 0.382 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -117 | 22.2 | 170 | -60.5 | -64.3 | 0 | 0 | 0 | 111.2 | E581 C588 M591 K592 | E581-F594 HydrophobicContact CB-CE2 3.84Å; E581-F594 HydrophobicContact CB-CZ 3.9Å; C588-F594 HydrophobicContact CB-CD2 3.93Å; C588-F594 HydrophobicContact CB-CE2 4.12Å; C588-F594 WeakPolarHBondContact O-CB 3.45Å; C588-F594 WeakPolarHBondContact O-CD2 3.24Å; M591-F594 HydrophobicContact CB-CD2 4.09Å; M591-F594 PolarHBondContact O-N 3.02Å; M591-F594 HydrophobicContact SD-CD2 4.2Å; M591-F594 HydrophobicContact SD-CE2 4.11Å; K592-F594 PolarHBondContact O-N 2.79Å |
| 595 | G | 74.9 | Confident | 82.9 | Confident | 76 Ų | 76 | 78.6 Ų | 78.6 | 78% | 0.784 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 4.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K592 | K592-G595 PolarHBondContact O-N 3.03Š|
| 596 | G | 82.8 | Confident | 82.7 | Confident | 10 Ų | 10 | 81.6 Ų | 81.6 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | trans | -83.4 | 161.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R589 D590 M591 K592 G598 | R589-G596 WeakPolarHBondContact O-CA 3.09Å; D590-G596 CarbonylContact O-C 3.49Å; D590-G596 VanDerWaalsContact O-CA 3.3Å; D590-G596 WeakPolarHBondContact O-CA 2.99Å; M591-G596 PolarHBondContact O-N 3.47Å; M591-G596 VanDerWaalsContact O-N 3.08Å; K592-G596 VanDerWaalsContact CA-O 3.25Å; K592-G596 WeakPolarHBondContact CA-O 3.4Å; G596-G598 VanDerWaalsContact C-N 3.27Å; G596-G598 PolarHBondContact O-N 2.92Å | ||
| 597 | P | 78.6 | Confident | 82.8 | Confident | 83 Ų | 83 | 78.6 Ų | 78.6 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | trans | -71.4 | -15.6 | -177.4 | 29.6 | -36.5 | 0 | 0 | 0 | 114.5 | K592 R599 | K592-P597 WeakPolarHBondContact CE-O 3.44Å; P597-R599 HydrophobicContact CB-CG 4.13Å; P597-R599 HydrophobicContact CG-CG 4.41Å | ||
| 598 | G | 79 | Confident | 82.5 | Confident | 16 Ų | 16 | 80.2 Ų | 80.2 | 17% | 0.165 | 39% | 0.394 | C | S | . | . | trans | 77.9 | 24.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D590 G596 K601 | D590-G598 WeakPolarHBondContact O-CA 3.46Å; D590-G598 PolarHBondContact O-N 3.25Å; D590-G598 PolarHBondContact OD1-N 3.39Å; G596-G598 VanDerWaalsContact C-N 3.27Å; G596-G598 PolarHBondContact O-N 2.92Å; G598-K601 WeakPolarHBondContact O-CG 3.36Å | ||
| 599 | R | 78.7 | Confident | 82.3 | Confident | 185 Ų | 185 | 81.4 Ų | 81.4 | 70% | 0.698 | 40% | 0.402 | S | S | * | . | trans | -86.1 | -37.2 | -169.9 | -71.2 | -179.8 | 171.9 | -148.9 | -12.1 | 112.5 | E138 D590 P597 | E138-R599 IonicContact OE1-NH2 3.78Å; D590-R599 PolarHBondContact OD1-N 2.96Å; D590-R599 PolarHBondContact OD2-N 2.88Å; P597-R599 HydrophobicContact CB-CG 4.13Å; P597-R599 HydrophobicContact CG-CG 4.41Å | ||
| 600 | M | 78.4 | Confident | 81.8 | Confident | 76 Ų | 76 | 79.5 Ų | 79.5 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -78.7 | -30 | -175.6 | -50.5 | -175.9 | 90.6 | 0 | 0 | 113.3 | Y587 D590 Q602 | Y587-M600 HydrophobicContact CD1-CE 4.3Å; Y587-M600 HydrophobicContact CD1-SD 4.1Å; Y587-M600 HydrophobicContact CE1-CE 4.05Å; Y587-M600 HydrophobicContact CE1-SD 4.45Å; D590-M600 HydrophobicContact CB-CB 4.23Å; D590-M600 HydrophobicContact CB-CG 4.01Å; D590-M600 HydrophobicContact CB-SD 4.07Å; D590-M600 VanDerWaalsContact CG-N 3.31Å; D590-M600 PolarHBondContact OD1-N 2.93Å; D590-M600 WeakPolarHBondContact OD2-CA 3.47Å; D590-M600 VanDerWaalsContact OD2-CB 3.31Å; D590-M600 WeakPolarHBondContact OD2-CB 3.44Å; D590-M600 PolarHBondContact OD2-N 3.43Å; M600-Q602 HydrophobicContact CB-CG 4.4Å; M600-Q602 PolarHBondContact O-N 3.33Å; M600-Q602 PolarHBondContact O-NE2 3.12Å |
| 601 | K | 79.3 | Confident | 81.1 | Confident | 182 Ų | 182 | 80.5 Ų | 80.5 | 79% | 0.791 | 41% | 0.414 | S | S | * | . | trans | 54 | 22.9 | 177.7 | -60.4 | 178 | 177.2 | 171.5 | 0 | 114.6 | D590 G598 | D590-K601 PolarHBondContact OD2-N 3.12Å; G598-K601 WeakPolarHBondContact O-CG 3.36Å | ||
| 602 | Q | 82.1 | Confident | 80.7 | Confident | 104 Ų | 104 | 80.6 Ų | 80.6 | 49% | 0.486 | 42% | 0.417 | S | S | . | . | trans | -86.5 | 149.2 | 176.3 | -61.3 | -47.4 | -60 | 0 | 0 | 111.1 | Y587 M591 M600 | Y587-Q602 HydrophobicContact CD1-CB 3.9Å; Y587-Q602 HydrophobicContact CD1-CG 4.26Å; Y587-Q602 HydrophobicContact CD2-CB 3.98Å; Y587-Q602 HydrophobicContact CE1-CB 4.39Å; Y587-Q602 HydrophobicContact CE1-CG 4.34Å; Y587-Q602 HydrophobicContact CE2-CB 4.46Å; Y587-Q602 HydrophobicContact CG-CB 3.69Å; Y587-Q602 HydrophobicContact CG-CG 4.49Å; M591-Q602 VanDerWaalsContact CE-O 3.23Å; M591-Q602 WeakPolarHBondContact CE-O 3.42Å; M600-Q602 HydrophobicContact CB-CG 4.4Å; M600-Q602 PolarHBondContact O-N 3.33Å; M600-Q602 PolarHBondContact O-NE2 3.12Å | ||
| 603 | S | 81.3 | Confident | 80.4 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 21% | 0.21 | 40% | 0.398 | C | S | . | . | trans | -70.2 | 151.3 | 169.7 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | R570 Y587 V605 | R570-S603 VanDerWaalsContact NH2-CB 3.33Å; R570-S603 PolarHBondContact NH2-OG 3.45Å; Y587-S603 WeakPolarHBondContact CD2-O 3.5Å; S603-V605 PolarHBondContact O-N 2.95Å | ||
| 604 | C | 85.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | trans | -32 | 131.2 | 161.1 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | E581 C588 L606 R607 | E581-C604 HydrophobicContact CB-CB 4.23Å; E581-C604 HydrophobicContact CG-CB 3.92Å; C588-C604 WeakPolarHBondContact SG-CB 3.32Å; C588-C604 VanDerWaalsContact SG-SG 3.67Å; C604-L606 VanDerWaalsContact C-N 3.3Å; C604-L606 PolarHBondContact O-N 2.91Å; C604-L606 PolarHBondContact SG-N 3.24Å; C604-R607 HydrophobicContact CB-CB 4.02Å; C604-R607 HydrophobicContact CB-CG 3.79Å; C604-R607 WeakPolarHBondContact O-CA 3.49Å; C604-R607 PolarHBondContact O-N 3.33Å | ||
| 605 | V | 84.6 | Confident | 80.1 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -56.7 | -44.8 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | C585 Y587 S603 R607 Q608 | C585-V605 HydrophobicContact CB-CB 4.38Å; C585-V605 HydrophobicContact CB-CG2 4.12Å; C585-V605 PolarHBondContact SG-N 3.46Å; C585-V605 VanDerWaalsContact SG-N 3.43Å; Y587-V605 HydrophobicContact CD2-CG2 3.46Å; Y587-V605 VanDerWaalsContact CD2-CG2 3.46Å; Y587-V605 HydrophobicContact CE2-CG2 3.68Å; Y587-V605 HydrophobicContact CG-CG2 4.33Å; S603-V605 PolarHBondContact O-N 2.95Å; V605-R607 PolarHBondContact O-N 2.87Å; V605-Q608 WeakPolarHBondContact O-CG 3.4Å; V605-Q608 PolarHBondContact O-N 2.83Å; V605-Q608 VanDerWaalsContact O-N 3.07Å |
| 606 | L | 79.9 | Confident | 79.9 | Confident | 86 Ų | 86 | 71 Ų | 71 | 45% | 0.45 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -69.2 | -2.8 | 178 | -52.3 | -173 | 0 | 0 | 0 | 113.7 | A576 C582 C604 | A576-L606 WeakPolarHBondContact CB-O 3.4Å; C582-L606 HydrophobicContact CB-CD1 3.96Å; C604-L606 VanDerWaalsContact C-N 3.3Å; C604-L606 PolarHBondContact O-N 2.91Å; C604-L606 PolarHBondContact SG-N 3.24Å |
| 607 | R | 87.3 | Confident | 79.5 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -106.6 | 16.6 | 171.8 | -58.4 | -174.1 | 78.9 | -157.5 | 1.6 | 113.8 | R570 A576 C577 Q579 E581 C604 V605 | R570-R607 VanDerWaalsContact CZ-O 3.3Å; R570-R607 PolarHBondContact NH1-O 3.02Å; A576-R607 VanDerWaalsContact O-CA 3.24Å; A576-R607 WeakPolarHBondContact O-CA 3.35Å; C577-R607 PolarHBondContact O-NH2 2.68Å; C577-R607 VanDerWaalsContact O-NH2 3.15Å; Q579-R607 VanDerWaalsContact O-CD 3.24Å; Q579-R607 WeakPolarHBondContact O-CD 3.44Å; Q579-R607 WeakPolarHBondContact O-CG 3.29Å; Q579-R607 PolarHBondContact O-NE 3.12Å; E581-R607 HydrophobicContact CG-CG 4.47Å; E581-R607 IonicContact OE1-CZ 3.77Å; E581-R607 IonicContact OE1-NH1 2.68Å; E581-R607 PolarHBondContact OE1-NH1 3.12Å; C604-R607 HydrophobicContact CB-CB 4.02Å; C604-R607 HydrophobicContact CB-CG 3.79Å; C604-R607 WeakPolarHBondContact O-CA 3.49Å; C604-R607 PolarHBondContact O-N 3.33Å; V605-R607 PolarHBondContact O-N 2.87Å |
| 608 | Q | 82.9 | Confident | 79.7 | Confident | 105 Ų | 105 | 72.5 Ų | 72.5 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -71.6 | 128.6 | 169.6 | -69.7 | -178.3 | -3.9 | 0 | 0 | 109.8 | A576 V605 L610 | A576-Q608 WeakPolarHBondContact CB-O 3.31Å; V605-Q608 WeakPolarHBondContact O-CG 3.4Å; V605-Q608 PolarHBondContact O-N 2.83Å; V605-Q608 VanDerWaalsContact O-N 3.07Å; Q608-L610 PolarHBondContact O-N 2.97Å |
| 609 | C | 81.4 | Confident | 80.1 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 17% | 0.169 | 38% | 0.378 | C | S | . | . | trans | -73.8 | 124.6 | -171.9 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | R570 C571 C577 A611 | R570-C609 HydrophobicContact CB-CB 4.07Å; R570-C609 HydrophobicContact CG-CB 3.96Å; C571-C609 PolarHBondContact N-SG 2.97Å; C571-C609 VanDerWaalsContact N-SG 3.39Å; C577-C609 PolarHBondContact SG-SG 3.27Å; C609-A611 VanDerWaalsContact C-N 3.34Å; C609-A611 PolarHBondContact O-N 3.13Å | ||
| 610 | L | 74.3 | Confident | 80.5 | Confident | 134 Ų | 134 | 66.1 Ų | 66.1 | 70% | 0.702 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -72.4 | -24.6 | -177.8 | -57.7 | 177.6 | 0 | 0 | 0 | 113.6 | A576 Q608 | A576-L610 HydrophobicContact CB-CG 4.25Å; Q608-L610 PolarHBondContact O-N 2.97Å |
| 611 | A | 72.1 | Confident | 80.8 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -135.4 | 75.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | C571 C609 R613 P667 | C571-A611 VanDerWaalsContact CB-O 3.31Å; C571-A611 WeakPolarHBondContact CB-O 3.29Å; C609-A611 VanDerWaalsContact C-N 3.34Å; C609-A611 PolarHBondContact O-N 3.13Å; A611-R613 PolarHBondContact O-N 3.13Å; A611-P667 HydrophobicContact CB-CG 4.1Å |
| 612 | P | 79.2 | Confident | 81 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 21% | 0.214 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 120 | -174.1 | 31.6 | -34.7 | 0 | 0 | 0 | 112.2 | R568 V569 L666 | R568-P612 HydrophobicContact CB-CB 3.96Å; R568-P612 PolarHBondContact NH1-O 2.91Å; R568-P612 VanDerWaalsContact NH1-O 3.07Å; V569-P612 CarbonylContact O-C 3.6Å; V569-P612 VanDerWaalsContact O-CA 3.25Å; V569-P612 WeakPolarHBondContact O-CA 3.22Å; P612-L666 HydrophobicContact CG-CD2 4.38Å |
| 613 | R | 79.2 | Confident | 81.1 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -89.3 | 167.1 | -175.2 | -69 | -174.5 | 173.6 | -173.5 | -8.2 | 112.4 | R568 V569 C571 A611 E630 P667 | R568-R613 CarbonylContact C-O 3.59Å; R568-R613 WeakPolarHBondContact CA-O 3.48Å; R568-R613 VanDerWaalsContact CB-O 3.28Å; R568-R613 WeakPolarHBondContact CB-O 3.24Å; V569-R613 WeakPolarHBondContact CG2-O 3.22Å; V569-R613 PolarHBondContact N-O 2.7Å; V569-R613 PolarHBondContact O-N 2.7Å; C571-R613 HydrophobicContact CB-CG 4.26Å; A611-R613 PolarHBondContact O-N 3.13Å; R613-E630 IonicContact CZ-OE1 2.71Å; R613-E630 VanDerWaalsContact NH1-CD 3.28Å; R613-E630 IonicContact NH1-OE1 2.73Å; R613-E630 PolarHBondContact NH1-OE1 3.12Å; R613-E630 IonicContact NH1-OE2 2.94Å; R613-E630 PolarHBondContact NH1-OE2 3.39Å; R613-P667 HydrophobicContact CG-CB 4.23Å |
| 614 | L | 81 | Confident | 81 | Confident | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 147.4 | 165.6 | -64.5 | 177.9 | 0 | 0 | 0 | 110.7 | R568 V569 L639 E641 I648 N668 | R568-L614 HydrophobicContact CG-CD2 4.39Å; V569-L614 WeakPolarHBondContact CG2-O 3.33Å; L614-L639 HydrophobicContact CD1-CB 4.32Å; L614-E641 HydrophobicContact CD1-CB 4.25Å; L614-E641 HydrophobicContact CD2-CB 4.07Å; L614-I648 HydrophobicContact CD1-CD1 4.4Å; L614-I648 HydrophobicContact CD1-CG2 3.81Å; L614-I648 HydrophobicContact CD2-CD1 4.12Å; L614-N668 HydrophobicContact CD1-CB 3.76Å; L614-N668 HydrophobicContact CG-CB 3.87Å |
| 615 | P | 79.3 | Confident | 80.7 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 138.1 | 170.6 | -12.9 | 22.7 | 0 | 0 | 0 | 111.6 | V569 S617 V618 | V569-P615 HydrophobicContact CG1-CB 4.02Å; V569-P615 HydrophobicContact CG1-CG 4.04Å; P615-S617 PolarHBondContact O-N 3.02Å; P615-V618 HydrophobicContact CB-CG2 4.14Å; P615-V618 HydrophobicContact CG-CG2 3.98Å; P615-V618 WeakPolarHBondContact O-CB 3.27Å; P615-V618 WeakPolarHBondContact O-CG2 3.45Å; P615-V618 PolarHBondContact O-N 2.86Å |
| 616 | H | 71.1 | Confident | 80.5 | Confident | 143 Ų | 143 | 65.1 Ų | 65.1 | 66% | 0.662 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.4 | 177.3 | -54.1 | -77.6 | 0 | 0 | 0 | 114.7 | E630 | H616-E630 IonicContact CE1-OE1 3.84Š|
| 617 | S | 73.5 | Confident | 80.1 | Confident | 108 Ų | 108 | 63.8 Ų | 63.8 | 76% | 0.755 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 9 | 174.8 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | P615 | P615-S617 PolarHBondContact O-N 3.02Š|
| 618 | V | 83.2 | Confident | 78.7 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 10% | 0.097 | 37% | 0.372 | C | S | . | . | trans | -87 | 139.7 | 173.3 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | P615 L639 I648 | P615-V618 HydrophobicContact CB-CG2 4.14Å; P615-V618 HydrophobicContact CG-CG2 3.98Å; P615-V618 WeakPolarHBondContact O-CB 3.27Å; P615-V618 WeakPolarHBondContact O-CG2 3.45Å; P615-V618 PolarHBondContact O-N 2.86Å; V618-L639 HydrophobicContact CG1-CD1 4.42Å; V618-L639 WeakPolarHBondContact O-CD1 3.16Å; V618-I648 HydrophobicContact CG1-CB 4.31Å; V618-I648 HydrophobicContact CG1-CD1 3.76Å; V618-I648 HydrophobicContact CG1-CG2 3.89Å | ||
| 619 | T | 87.2 | Confident | 77.2 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 41% | 0.405 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -113.2 | 158.2 | 177.4 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | G624 E625 V626 | T619-G624 VanDerWaalsContact CB-O 3.31Å; T619-G624 WeakPolarHBondContact CB-O 3.47Å; T619-G624 WeakPolarHBondContact CG2-O 3.45Å; T619-E625 CarbonylContact C-O 3.28Å; T619-E625 WeakPolarHBondContact CA-O 3.33Å; T619-E625 WeakPolarHBondContact CB-O 3.32Å; T619-V626 HydrophobicContact CG2-CG1 3.6Å |
| 620 | C | 87.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | trans | -65.5 | 129.2 | 170.3 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | L622 C623 G624 E625 L639 I648 H650 | C620-L622 PolarHBondContact O-N 2.84Å; C620-L622 VanDerWaalsContact O-N 3.12Å; C620-L622 PolarHBondContact SG-N 3.04Å; C620-L622 VanDerWaalsContact SG-N 3.43Å; C620-C623 VanDerWaalsContact CB-SG 3.55Å; C620-C623 VanDerWaalsContact SG-SG 3.69Å; C620-G624 VanDerWaalsContact O-CA 3.26Å; C620-G624 WeakPolarHBondContact O-CA 3.45Å; C620-G624 PolarHBondContact O-N 3.2Å; C620-E625 PolarHBondContact N-O 3.08Å; C620-L639 HydrophobicContact CB-CD2 3.64Å; C620-I648 CarbonylContact C-O 3.46Å; C620-I648 WeakPolarHBondContact CA-O 3.22Å; C620-H650 PolarHBondContact SG-N 3.3Å; C620-H650 VanDerWaalsContact SG-N 3.43Å | ||
| 621 | S | 84.8 | Confident | 74.6 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 48% | 0.483 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 2.7 | 179.1 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | I648 V649 | S621-I648 PolarHBondContact N-O 3.06Å; S621-I648 PolarHBondContact OG-O 2.81Å; S621-V649 VanDerWaalsContact OG-CG1 3.3Å; S621-V649 WeakPolarHBondContact OG-CG1 3.5Å |
| 622 | L | 83.7 | Confident | 73.6 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 45% | 0.45 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -48.4 | 177.6 | -61.4 | 174.2 | 0 | 0 | 0 | 112.7 | C620 V649 C653 L654 | C620-L622 PolarHBondContact O-N 2.84Å; C620-L622 VanDerWaalsContact O-N 3.12Å; C620-L622 PolarHBondContact SG-N 3.04Å; C620-L622 VanDerWaalsContact SG-N 3.43Å; L622-V649 HydrophobicContact CD1-CB 4.18Å; L622-V649 HydrophobicContact CD1-CG1 3.75Å; L622-V649 HydrophobicContact CG-CG1 3.78Å; L622-C653 HydrophobicContact CB-CB 3.95Å; L622-C653 HydrophobicContact CD1-CB 3.92Å; L622-C653 WeakPolarHBondContact CD1-O 3.26Å; L622-L654 HydrophobicContact CD1-CD2 3.78Å; L622-L654 HydrophobicContact CD1-CG 4.15Å |
| 623 | C | 83.2 | Confident | 72.4 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -12.3 | 178.3 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | C620 E625 H650 | C620-C623 VanDerWaalsContact CB-SG 3.55Å; C620-C623 VanDerWaalsContact SG-SG 3.69Å; C623-E625 PolarHBondContact O-N 3.36Å; C623-H650 PolarHBondContact SG-ND1 2.94Å; C623-H650 VanDerWaalsContact SG-ND1 3.35Å |
| 624 | G | 80.3 | Confident | 72 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 50% | 0.495 | 44% | 0.441 | S | S | . | . | trans | 76.4 | -3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | T619 C620 | T619-G624 VanDerWaalsContact CB-O 3.31Å; T619-G624 WeakPolarHBondContact CB-O 3.47Å; T619-G624 WeakPolarHBondContact CG2-O 3.45Å; C620-G624 VanDerWaalsContact O-CA 3.26Å; C620-G624 WeakPolarHBondContact O-CA 3.45Å; C620-G624 PolarHBondContact O-N 3.2Å | ||
| 625 | E | 79.6 | Confident | 71.7 | Confident | 101 Ų | 101 | 83.9 Ų | 83.9 | 47% | 0.472 | 46% | 0.456 | S | S | . | . | trans | -83.5 | 160 | 179.7 | -58.8 | -168 | 161.9 | 0 | 0 | 113.3 | T619 C620 C623 Q628 | T619-E625 CarbonylContact C-O 3.28Å; T619-E625 WeakPolarHBondContact CA-O 3.33Å; T619-E625 WeakPolarHBondContact CB-O 3.32Å; C620-E625 PolarHBondContact N-O 3.08Å; C623-E625 PolarHBondContact O-N 3.36Å; E625-Q628 PolarHBondContact OE2-NE2 2.86Å | ||
| 626 | V | 79.3 | Confident | 71.5 | Confident | 68 Ų | 68 | 88 Ų | 88 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -89.7 | 162.1 | 171.8 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | T619 Q628 | T619-V626 HydrophobicContact CG2-CG1 3.6Å; V626-Q628 PolarHBondContact O-N 3.17Å |
| 627 | D | 71.4 | Confident | 71.6 | Confident | 58 Ų | 58 | 86.4 Ų | 86.4 | 31% | 0.31 | 46% | 0.464 | S | S | . | . | trans | -54.4 | 115.5 | 175.4 | -148.6 | -17.6 | 0 | 0 | 0 | 111 | N629 L639 | D627-N629 PolarHBondContact O-N 3.12Å; D627-L639 HydrophobicContact CB-CB 4.39Å; D627-L639 HydrophobicContact CB-CD1 3.95Å; D627-L639 HydrophobicContact CB-CG 4.03Å; D627-L639 PolarHBondContact OD2-N 2.86Å | ||
| 628 | Q | 58 | Low | 72 | Confident | 98 Ų | 98 | 84.2 Ų | 84.2 | 46% | 0.458 | 44% | 0.441 | S | S | . | . | trans | -87.2 | 90.9 | -170.5 | -64.7 | -158.4 | 31 | 0 | 0 | 112.7 | E625 V626 T632 | E625-Q628 PolarHBondContact OE2-NE2 2.86Å; V626-Q628 PolarHBondContact O-N 3.17Å; Q628-T632 PolarHBondContact O-OG1 3.49Å | ||
| 629 | N | 52.1 | Low | 72.2 | Confident | 126 Ų | 126 | 83.7 Ų | 83.7 | 67% | 0.674 | 44% | 0.437 | S | S | * | . | trans | 69.1 | 140.2 | 178.1 | -66.8 | -12.6 | 0 | 0 | 0 | 116.1 | D627 E631 T632 | D627-N629 PolarHBondContact O-N 3.12Å; N629-E631 PolarHBondContact O-N 3.31Å; N629-E631 VanDerWaalsContact O-N 3.16Å; N629-T632 PolarHBondContact O-OG1 3.39Å | ||
| 630 | E | 52.6 | Low | 72.1 | Confident | 99 Ų | 99 | 81 Ų | 81 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.7 | 178 | -69.9 | -150.5 | 149.9 | 0 | 0 | 114.3 | K573 R613 H616 | K573-E630 IonicContact NZ-OE2 3.99Å; K573-E630 PolarHBondContact NZ-OE2 3.11Å; R613-E630 IonicContact CZ-OE1 2.71Å; R613-E630 VanDerWaalsContact NH1-CD 3.28Å; R613-E630 IonicContact NH1-OE1 2.73Å; R613-E630 PolarHBondContact NH1-OE1 3.12Å; R613-E630 IonicContact NH1-OE2 2.94Å; R613-E630 PolarHBondContact NH1-OE2 3.39Å; H616-E630 IonicContact CE1-OE1 3.84Å |
| 631 | E | 47.4 | Very low | 72.1 | Confident | 180 Ų | 180 | 81.2 Ų | 81.2 | 84% | 0.841 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -10.9 | -168.6 | -63.3 | -178 | 160.7 | 0 | 0 | 114.2 | N629 Q633 | N629-E631 PolarHBondContact O-N 3.31Å; N629-E631 VanDerWaalsContact O-N 3.16Å; E631-Q633 PolarHBondContact O-N 3.47Å |
| 632 | T | 52.2 | Low | 72.2 | Confident | 63 Ų | 63 | 78 Ų | 78 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | trans | -75.5 | 123.1 | 173.1 | 42.1 | 0 | 0 | 0 | 0 | 110.3 | Q628 N629 D634 K638 | Q628-T632 PolarHBondContact O-OG1 3.49Å; N629-T632 PolarHBondContact O-OG1 3.39Å; T632-D634 PolarHBondContact O-N 3.43Å; T632-K638 PolarHBondContact O-NZ 3.23Å; T632-K638 VanDerWaalsContact O-NZ 3.17Å | ||
| 633 | Q | 54.8 | Low | 71.9 | Confident | 195 Ų | 195 | 75.2 Ų | 75.2 | 91% | 0.911 | 39% | 0.386 | S | S | * | . | trans | -77.3 | -9.4 | 176.2 | -65.8 | -176.9 | -7.3 | 0 | 0 | 112.9 | E631 F635 | E631-Q633 PolarHBondContact O-N 3.47Å; Q633-F635 PolarHBondContact O-N 3.25Å | ||
| 634 | D | 70.7 | Confident | 71.6 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 33% | 0.326 | 39% | 0.388 | S | S | . | . | trans | -61.3 | 112.2 | 178.7 | -170.7 | -28.6 | 0 | 0 | 0 | 111.6 | T632 E636 K637 | T632-D634 PolarHBondContact O-N 3.43Å; D634-E636 WeakPolarHBondContact OD1-CB 3.44Å; D634-E636 PolarHBondContact OD1-N 3.08Å; D634-E636 VanDerWaalsContact OD1-N 3.07Å; D634-K637 IonicContact OD1-NZ 3.54Å; D634-K637 WeakPolarHBondContact OD2-CD 3.41Å; D634-K637 WeakPolarHBondContact OD2-CE 3.3Å; D634-K637 IonicContact OD2-NZ 3.54Å; D634-K637 PolarHBondContact OD2-NZ 3.32Å | ||
| 635 | F | 72.9 | Confident | 71.5 | Confident | 88 Ų | 88 | 76 Ų | 76 | 39% | 0.386 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -73.8 | -32.9 | -178.5 | 176.2 | -113.1 | 0 | 0 | 0 | 112.5 | Q633 K637 K638 M640 P651 L662 | Q633-F635 PolarHBondContact O-N 3.25Å; F635-K637 PolarHBondContact O-N 3.15Å; F635-K637 VanDerWaalsContact O-N 3.16Å; F635-K638 WeakPolarHBondContact O-CB 3.44Å; F635-K638 PolarHBondContact O-N 3.16Å; F635-M640 HydrophobicContact CE2-CE 4.3Å; F635-M640 HydrophobicContact CE2-CG 4.3Å; F635-M640 HydrophobicContact CE2-SD 4.12Å; F635-P651 HydrophobicContact CD1-CB 4.44Å; F635-P651 HydrophobicContact CD1-CG 4.23Å; F635-P651 HydrophobicContact CE1-CB 3.98Å; F635-P651 HydrophobicContact CE1-CG 3.69Å; F635-P651 HydrophobicContact CE2-CG 4.2Å; F635-P651 HydrophobicContact CZ-CB 4.42Å; F635-P651 HydrophobicContact CZ-CG 3.67Å; F635-L662 HydrophobicContact CE2-CD1 4.37Å; F635-L662 HydrophobicContact CE2-CD2 3.81Å; F635-L662 HydrophobicContact CZ-CD1 4.4Å; F635-L662 HydrophobicContact CZ-CD2 3.71Å; F635-L662 HydrophobicContact CZ-CG 4.4Å |
| 636 | E | 75.9 | Confident | 71.7 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.7 | -175.3 | -67.3 | -173.4 | 171.5 | 0 | 0 | 112.7 | D634 H650 P651 G652 | D634-E636 WeakPolarHBondContact OD1-CB 3.44Å; D634-E636 PolarHBondContact OD1-N 3.08Å; D634-E636 VanDerWaalsContact OD1-N 3.07Å; E636-H650 WeakPolarHBondContact O-CB 3.49Å; E636-P651 WeakPolarHBondContact O-CD 3.07Å; E636-G652 PolarHBondContact O-N 3.14Å |
| 637 | K | 72.8 | Confident | 72 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 47% | 0.47 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 4 | -176.6 | -61.4 | -179.6 | -179.8 | 62.2 | 0 | 114.1 | D634 F635 H650 | D634-K637 IonicContact OD1-NZ 3.54Å; D634-K637 WeakPolarHBondContact OD2-CD 3.41Å; D634-K637 WeakPolarHBondContact OD2-CE 3.3Å; D634-K637 IonicContact OD2-NZ 3.54Å; D634-K637 PolarHBondContact OD2-NZ 3.32Å; F635-K637 PolarHBondContact O-N 3.15Å; F635-K637 VanDerWaalsContact O-N 3.16Å; K637-H650 PolarHBondContact O-CD2 3.23Å; K637-H650 PolarHBondContact O-NE2 3.36Å |
| 638 | K | 82.8 | Confident | 72.8 | Confident | 63 Ų | 63 | 68.6 Ų | 68.6 | 27% | 0.274 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -92.8 | 138.5 | -173.9 | -142.5 | 177 | -142.4 | 78.5 | 0 | 111.9 | T632 F635 M640 P651 | T632-K638 PolarHBondContact O-NZ 3.23Å; T632-K638 VanDerWaalsContact O-NZ 3.17Å; F635-K638 WeakPolarHBondContact O-CB 3.44Å; F635-K638 PolarHBondContact O-N 3.16Å; K638-M640 PolarHBondContact O-N 2.85Å; K638-P651 WeakPolarHBondContact O-CD 3.1Å |
| 639 | L | 86 | Confident | 74.3 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -75.1 | 126.1 | -179.9 | -75.6 | 177.8 | 0 | 0 | 0 | 112.1 | L614 V618 C620 D627 I648 H650 N668 | L614-L639 HydrophobicContact CD1-CB 4.32Å; V618-L639 HydrophobicContact CG1-CD1 4.42Å; V618-L639 WeakPolarHBondContact O-CD1 3.16Å; C620-L639 HydrophobicContact CB-CD2 3.64Å; D627-L639 HydrophobicContact CB-CB 4.39Å; D627-L639 HydrophobicContact CB-CD1 3.95Å; D627-L639 HydrophobicContact CB-CG 4.03Å; D627-L639 PolarHBondContact OD2-N 2.86Å; L639-I648 HydrophobicContact CB-CG2 4.24Å; L639-I648 HydrophobicContact CD2-CG2 4.25Å; L639-H650 WeakPolarHBondContact CD2-CD2 3.25Å; L639-H650 VanDerWaalsContact CD2-NE2 3.27Å; L639-H650 WeakPolarHBondContact CD2-NE2 3.39Å; L639-N668 VanDerWaalsContact O-CB 3.31Å; L639-N668 WeakPolarHBondContact O-CB 3.28Å; L639-N668 PolarHBondContact O-ND2 3.4Å | ||
| 640 | M | 85.8 | Confident | 76 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119 | -176.7 | -61 | -60.5 | -65.5 | 0 | 0 | 111.9 | F635 K638 I648 V649 P651 L662 C669 W670 | F635-M640 HydrophobicContact CE2-CE 4.3Å; F635-M640 HydrophobicContact CE2-CG 4.3Å; F635-M640 HydrophobicContact CE2-SD 4.12Å; K638-M640 PolarHBondContact O-N 2.85Å; M640-I648 WeakPolarHBondContact O-CA 3.28Å; M640-V649 PolarHBondContact N-O 2.69Å; M640-V649 PolarHBondContact O-N 3.35Å; M640-P651 HydrophobicContact CG-CG 3.98Å; M640-L662 HydrophobicContact CE-CD2 3.43Å; M640-L662 VanDerWaalsContact CE-CD2 3.43Å; M640-C669 WeakPolarHBondContact CE-O 3.4Å; M640-W670 HydrophobicContact CB-CD2 4.02Å; M640-W670 HydrophobicContact CB-CG 3.98Å; M640-W670 HydrophobicContact CB-CZ2 4.25Å; M640-W670 VanDerWaalsContact CB-NE1 3.35Å; M640-W670 HydrophobicContact CE-CB 3.87Å; M640-W670 HydrophobicContact CE-CG 4.09Å; M640-W670 PolarHBondContact O-NE1 2.97Å |
| 641 | E | 88.8 | Confident | 77.5 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.3 | 175.7 | -179.6 | 178.7 | -131.9 | 0 | 0 | 110.4 | R568 L614 C643 E647 I648 N668 C669 W670 | R568-E641 IonicContact CZ-OE2 3.15Å; R568-E641 IonicContact NE-OE2 2.97Å; R568-E641 PolarHBondContact NE-OE2 3.09Å; R568-E641 IonicContact NH2-OE2 3.15Å; R568-E641 PolarHBondContact NH2-OE2 3.43Å; L614-E641 HydrophobicContact CD1-CB 4.25Å; L614-E641 HydrophobicContact CD2-CB 4.07Å; E641-C643 PolarHBondContact O-N 2.96Å; E641-E647 WeakPolarHBondContact CA-O 3.41Å; E641-I648 HydrophobicContact CB-CD1 4.16Å; E641-I648 HydrophobicContact CB-CG1 3.89Å; E641-I648 HydrophobicContact CG-CD1 4.14Å; E641-I648 HydrophobicContact CG-CG1 3.96Å; E641-N668 PolarHBondContact N-O 3.28Å; E641-C669 WeakPolarHBondContact O-CA 3.27Å; E641-W670 PolarHBondContact O-N 3.38Å |
| 642 | C | 85.6 | Confident | 79 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.7 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | I644 C645 N646 E647 W670 C672 | C642-I644 PolarHBondContact O-N 3.4Å; C642-C645 WeakPolarHBondContact CB-SG 3.24Å; C642-C645 PolarHBondContact SG-N 3.22Å; C642-C645 PolarHBondContact SG-SG 3.48Å; C642-N646 WeakPolarHBondContact O-CA 3.09Å; C642-N646 PolarHBondContact O-N 3.46Å; C642-E647 PolarHBondContact N-O 2.9Å; C642-W670 CarbonylContact C-O 3.42Å; C642-W670 VanDerWaalsContact CA-O 3.23Å; C642-W670 WeakPolarHBondContact CA-O 3.44Å; C642-C672 HydrophobicContact CB-CB 4.09Å; C642-C672 PolarHBondContact SG-N 3.25Å; C642-C672 VanDerWaalsContact SG-N 3.41Å |
| 643 | C | 77.3 | Confident | 80.5 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.9 | -178 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | E641 W670 E671 | E641-C643 PolarHBondContact O-N 2.96Å; C643-W670 PolarHBondContact N-O 2.9Å; C643-E671 WeakPolarHBondContact SG-CG 3.4Å |
| 644 | I | 77.3 | Confident | 81.6 | Confident | 86 Ų | 86 | 39 Ų | 39 | 44% | 0.441 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -70.2 | 176.8 | -61 | 169.1 | 0 | 0 | 0 | 110.2 | C642 N646 E671 C675 | C642-I644 PolarHBondContact O-N 3.4Å; I644-N646 PolarHBondContact O-ND2 2.96Å; I644-E671 HydrophobicContact CD1-CB 4.15Å; I644-E671 HydrophobicContact CD1-CG 3.72Å; I644-E671 HydrophobicContact CG1-CG 4.19Å; I644-C675 HydrophobicContact CB-CB 3.95Å; I644-C675 HydrophobicContact CD1-CB 3.76Å; I644-C675 HydrophobicContact CG1-CB 4.44Å; I644-C675 HydrophobicContact CG2-CB 3.96Å |
| 645 | C | 78.8 | Confident | 81.1 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -12.9 | -175.4 | 69.4 | 0 | 0 | 0 | 0 | 115 | C642 E647 | C642-C645 WeakPolarHBondContact CB-SG 3.24Å; C642-C645 PolarHBondContact SG-N 3.22Å; C642-C645 PolarHBondContact SG-SG 3.48Å; C645-E647 PolarHBondContact O-N 3.07Å |
| 646 | N | 83.4 | Confident | 80.6 | Confident | 36 Ų | 36 | 47.2 Ų | 47.2 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | trans | 61.9 | 14 | -177.7 | -49.1 | -98.3 | 0 | 0 | 0 | 115 | C642 I644 | C642-N646 WeakPolarHBondContact O-CA 3.09Å; C642-N646 PolarHBondContact O-N 3.46Å; I644-N646 PolarHBondContact O-ND2 2.96Å | ||
| 647 | E | 85.5 | Confident | 79.6 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | trans | -64.5 | 147.5 | 163 | -68.6 | -175.7 | 144 | 0 | 0 | 110.2 | I560 E641 C642 C645 V649 K674 | I560-E647 HydrophobicContact CD1-CG 3.97Å; E641-E647 WeakPolarHBondContact CA-O 3.41Å; C642-E647 PolarHBondContact N-O 2.9Å; C645-E647 PolarHBondContact O-N 3.07Å; E647-V649 HydrophobicContact CB-CG1 4.45Å; E647-K674 IonicContact OE1-NZ 3.03Å; E647-K674 PolarHBondContact OE1-NZ 3.45Å; E647-K674 IonicContact OE2-NZ 3.84Å; E647-K674 PolarHBondContact OE2-NZ 3Å | ||
| 648 | I | 89.2 | Confident | 79 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 111.6 | 174.2 | -52 | -174.3 | 0 | 0 | 0 | 107.7 | L614 V618 C620 S621 L639 M640 E641 | L614-I648 HydrophobicContact CD1-CD1 4.4Å; L614-I648 HydrophobicContact CD1-CG2 3.81Å; L614-I648 HydrophobicContact CD2-CD1 4.12Å; V618-I648 HydrophobicContact CG1-CB 4.31Å; V618-I648 HydrophobicContact CG1-CD1 3.76Å; V618-I648 HydrophobicContact CG1-CG2 3.89Å; C620-I648 CarbonylContact C-O 3.46Å; C620-I648 WeakPolarHBondContact CA-O 3.22Å; S621-I648 PolarHBondContact N-O 3.06Å; S621-I648 PolarHBondContact OG-O 2.81Å; L639-I648 HydrophobicContact CB-CG2 4.24Å; L639-I648 HydrophobicContact CD2-CG2 4.25Å; M640-I648 WeakPolarHBondContact O-CA 3.28Å; E641-I648 HydrophobicContact CB-CD1 4.16Å; E641-I648 HydrophobicContact CB-CG1 3.89Å; E641-I648 HydrophobicContact CG-CD1 4.14Å; E641-I648 HydrophobicContact CG-CG1 3.96Å |
| 649 | V | 87.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157.7 | -172 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | S621 L622 M640 E647 L654 W670 | S621-V649 VanDerWaalsContact OG-CG1 3.3Å; S621-V649 WeakPolarHBondContact OG-CG1 3.5Å; L622-V649 HydrophobicContact CD1-CB 4.18Å; L622-V649 HydrophobicContact CD1-CG1 3.75Å; L622-V649 HydrophobicContact CG-CG1 3.78Å; M640-V649 PolarHBondContact N-O 2.69Å; M640-V649 PolarHBondContact O-N 3.35Å; E647-V649 HydrophobicContact CB-CG1 4.45Å; V649-L654 HydrophobicContact CG2-CD1 3.89Å; V649-L654 HydrophobicContact CG2-CG 4.16Å; V649-W670 HydrophobicContact CG2-CZ2 3.93Å |
| 650 | H | 88.5 | Confident | 77.2 | Confident | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | trans | -75.4 | 135 | 160.1 | -56 | 141.5 | 0 | 0 | 0 | 108.8 | C620 C623 E636 K637 L639 G652 C653 | C620-H650 PolarHBondContact SG-N 3.3Å; C620-H650 VanDerWaalsContact SG-N 3.43Å; C623-H650 PolarHBondContact SG-ND1 2.94Å; C623-H650 VanDerWaalsContact SG-ND1 3.35Å; E636-H650 WeakPolarHBondContact O-CB 3.49Å; K637-H650 PolarHBondContact O-CD2 3.23Å; K637-H650 PolarHBondContact O-NE2 3.36Å; L639-H650 WeakPolarHBondContact CD2-CD2 3.25Å; L639-H650 VanDerWaalsContact CD2-NE2 3.27Å; L639-H650 WeakPolarHBondContact CD2-NE2 3.39Å; H650-G652 VanDerWaalsContact C-N 3.3Å; H650-G652 PolarHBondContact O-N 3.35Å; H650-C653 HydrophobicContact CB-CB 4.22Å; H650-C653 WeakPolarHBondContact O-CB 3.5Å; H650-C653 PolarHBondContact O-N 3.46Å | ||
| 651 | P | 83 | Confident | 76.9 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -53.3 | -44.8 | 175.7 | -27.3 | 33.5 | 0 | 0 | 0 | 112.8 | F635 E636 K638 M640 C653 L654 W670 | F635-P651 HydrophobicContact CD1-CB 4.44Å; F635-P651 HydrophobicContact CD1-CG 4.23Å; F635-P651 HydrophobicContact CE1-CB 3.98Å; F635-P651 HydrophobicContact CE1-CG 3.69Å; F635-P651 HydrophobicContact CE2-CG 4.2Å; F635-P651 HydrophobicContact CZ-CB 4.42Å; F635-P651 HydrophobicContact CZ-CG 3.67Å; E636-P651 WeakPolarHBondContact O-CD 3.07Å; K638-P651 WeakPolarHBondContact O-CD 3.1Å; M640-P651 HydrophobicContact CG-CG 3.98Å; P651-C653 PolarHBondContact O-N 3.45Å; P651-C653 VanDerWaalsContact O-N 3.12Å; P651-L654 WeakPolarHBondContact O-CB 3.33Å; P651-L654 PolarHBondContact O-N 3.1Å; P651-W670 HydrophobicContact CB-CH2 3.87Å; P651-W670 HydrophobicContact CB-CZ3 4.21Å; P651-W670 HydrophobicContact CG-CH2 3.95Å; P651-W670 HydrophobicContact CG-CZ2 4.45Å; P651-W670 HydrophobicContact CG-CZ3 4.2Å |
| 652 | G | 79.9 | Confident | 76.4 | Confident | 48 Ų | 48 | 59.6 Ų | 59.6 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -70.3 | -3.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | E636 H650 | E636-G652 PolarHBondContact O-N 3.14Å; H650-G652 VanDerWaalsContact C-N 3.3Å; H650-G652 PolarHBondContact O-N 3.35Å |
| 653 | C | 83.1 | Confident | 75.9 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 27% | 0.27 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -88.9 | -9.8 | 169.1 | -69.5 | 0 | 0 | 0 | 0 | 113.1 | L622 H650 P651 Q655 | L622-C653 HydrophobicContact CB-CB 3.95Å; L622-C653 HydrophobicContact CD1-CB 3.92Å; L622-C653 WeakPolarHBondContact CD1-O 3.26Å; H650-C653 HydrophobicContact CB-CB 4.22Å; H650-C653 WeakPolarHBondContact O-CB 3.5Å; H650-C653 PolarHBondContact O-N 3.46Å; P651-C653 PolarHBondContact O-N 3.45Å; P651-C653 VanDerWaalsContact O-N 3.12Å; C653-Q655 PolarHBondContact O-N 3.42Å |
| 654 | L | 78.3 | Confident | 75.2 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | trans | -87.7 | 102.9 | 176.3 | -70.5 | 166.6 | 0 | 0 | 0 | 110 | L622 V649 P651 M656 W670 C672 P673 K674 | L622-L654 HydrophobicContact CD1-CD2 3.78Å; L622-L654 HydrophobicContact CD1-CG 4.15Å; V649-L654 HydrophobicContact CG2-CD1 3.89Å; V649-L654 HydrophobicContact CG2-CG 4.16Å; P651-L654 WeakPolarHBondContact O-CB 3.33Å; P651-L654 PolarHBondContact O-N 3.1Å; L654-M656 PolarHBondContact O-N 3.31Å; L654-W670 HydrophobicContact CD1-CH2 3.72Å; L654-W670 HydrophobicContact CD1-CZ2 3.78Å; L654-C672 HydrophobicContact CD1-CB 4.37Å; L654-P673 HydrophobicContact CD1-CG 4.41Å; L654-K674 HydrophobicContact CD2-CD 4.42Å; L654-K674 HydrophobicContact CD2-CG 4.45Å | ||
| 655 | Q | 61.4 | Low | 74.5 | Confident | 196 Ų | 196 | 74.4 Ų | 74.4 | 92% | 0.916 | 40% | 0.398 | S | S | * | . | trans | -77.2 | 67.1 | 174.3 | -66.4 | -177.9 | -36.5 | 0 | 0 | 111.1 | C653 | C653-Q655 PolarHBondContact O-N 3.42Š| ||
| 656 | M | 61.5 | Low | 74.2 | Confident | 125 Ų | 125 | 75 Ų | 75 | 62% | 0.616 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -146.5 | 129.4 | 178 | -69 | -73.3 | -68.5 | 0 | 0 | 108.9 | L654 G658 | L654-M656 PolarHBondContact O-N 3.31Å; M656-G658 PolarHBondContact O-N 3.07Å; M656-G658 VanDerWaalsContact O-N 3.11Å |
| 657 | D | 53.8 | Low | 73.7 | Confident | 171 Ų | 171 | 75.3 Ų | 75.3 | 91% | 0.914 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -75.5 | 99.8 | 178 | -67 | -45.5 | 0 | 0 | 0 | 111.3 | ||
| 658 | G | 60.7 | Low | 73.6 | Confident | 31 Ų | 31 | 75 Ų | 75 | 32% | 0.32 | 40% | 0.401 | S | S | . | . | trans | 174.3 | 140.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M656 P673 | M656-G658 PolarHBondContact O-N 3.07Å; M656-G658 VanDerWaalsContact O-N 3.11Å; G658-P673 WeakPolarHBondContact O-CG 3.36Å | ||
| 659 | E | 60.3 | Low | 73.3 | Confident | 175 Ų | 175 | 75 Ų | 75 | 82% | 0.818 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 137.6 | 173.9 | -64.3 | -178.1 | 173.7 | 0 | 0 | 110.9 | Y676 | E659-Y676 VanDerWaalsContact O-CD1 3.26Å; E659-Y676 WeakPolarHBondContact O-CD1 3.31Å |
| 660 | G | 70.4 | Confident | 73.2 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 139.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L662 E671 | G660-L662 PolarHBondContact O-N 3.44Å; G660-E671 CarbonylContact C-O 3.6Å; G660-E671 VanDerWaalsContact C-O 3.28Å; G660-E671 WeakPolarHBondContact CA-O 3.28Å |
| 661 | L | 80.9 | Confident | 73.1 | Confident | 85 Ų | 85 | 77.6 Ų | 77.6 | 45% | 0.445 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 119.6 | -174 | -176.1 | 63.9 | 0 | 0 | 0 | 112.1 | W670 E671 Y676 | L661-W670 CarbonylContact O-C 3.47Å; L661-W670 VanDerWaalsContact O-CA 3.28Å; L661-W670 WeakPolarHBondContact O-CA 3.43Å; L661-W670 WeakPolarHBondContact O-CB 3.41Å; L661-E671 HydrophobicContact CB-CB 4.3Å; L661-E671 PolarHBondContact N-O 3.25Å; L661-E671 PolarHBondContact O-N 3.38Å; L661-Y676 HydrophobicContact CB-CD2 3.94Å; L661-Y676 HydrophobicContact CB-CE1 4.4Å; L661-Y676 HydrophobicContact CB-CE2 3.67Å; L661-Y676 HydrophobicContact CB-CG 4.45Å; L661-Y676 HydrophobicContact CD2-CE2 3.91Å; L661-Y676 HydrophobicContact CG-CE2 4.35Å |
| 662 | L | 77.8 | Confident | 73.2 | Confident | 89 Ų | 89 | 76.7 Ų | 76.7 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -71.1 | 143.9 | 176.9 | -73.2 | 178.7 | 0 | 0 | 0 | 112.6 | F635 M640 G660 W670 | F635-L662 HydrophobicContact CE2-CD1 4.37Å; F635-L662 HydrophobicContact CE2-CD2 3.81Å; F635-L662 HydrophobicContact CZ-CD1 4.4Å; F635-L662 HydrophobicContact CZ-CD2 3.71Å; F635-L662 HydrophobicContact CZ-CG 4.4Å; M640-L662 HydrophobicContact CE-CD2 3.43Å; M640-L662 VanDerWaalsContact CE-CD2 3.43Å; G660-L662 PolarHBondContact O-N 3.44Å; L662-W670 HydrophobicContact CD2-CB 4.07Å |
| 663 | N | 74.4 | Confident | 73.2 | Confident | 56 Ų | 56 | 75 Ų | 75 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | trans | -98.6 | 108.5 | 172.4 | -174.5 | -72.5 | 0 | 0 | 0 | 110.2 | E665 L666 C669 | N663-E665 VanDerWaalsContact C-N 3.33Å; N663-E665 PolarHBondContact O-N 3.37Å; N663-E665 PolarHBondContact OD1-N 3.04Å; N663-L666 PolarHBondContact OD1-N 3.12Å; N663-L666 VanDerWaalsContact OD1-N 3.1Å; N663-C669 HydrophobicContact CB-CB 4.1Å; N663-C669 WeakPolarHBondContact CB-O 3.47Å; N663-C669 PolarHBondContact N-O 3.33Å; N663-C669 VanDerWaalsContact N-O 3.09Å | ||
| 664 | E | 62.3 | Low | 73 | Confident | 199 Ų | 199 | 78 Ų | 78 | 93% | 0.93 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -21.1 | -176 | -57.3 | -160.4 | 147.9 | 0 | 0 | 114.1 | ||
| 665 | E | 63.8 | Low | 73 | Confident | 171 Ų | 171 | 78.9 Ų | 78.9 | 80% | 0.799 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -24.2 | 179.9 | -61.2 | -167.4 | 149.5 | 0 | 0 | 113.2 | N663 | N663-E665 VanDerWaalsContact C-N 3.33Å; N663-E665 PolarHBondContact O-N 3.37Å; N663-E665 PolarHBondContact OD1-N 3.04Å |
| 666 | L | 72.1 | Confident | 73.6 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -135.1 | 115.5 | -171.2 | -74.8 | 172.3 | 0 | 0 | 0 | 112.6 | P612 N663 C669 | P612-L666 HydrophobicContact CG-CD2 4.38Å; N663-L666 PolarHBondContact OD1-N 3.12Å; N663-L666 VanDerWaalsContact OD1-N 3.1Å; L666-C669 HydrophobicContact CB-CB 3.92Å; L666-C669 WeakPolarHBondContact O-CB 3.48Å; L666-C669 PolarHBondContact O-N 3.44Å |
| 667 | P | 74 | Confident | 73.5 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 145.2 | 177.3 | -25 | 33 | 0 | 0 | 0 | 112.7 | R568 A611 R613 C669 | R568-P667 PolarHBondContact NH1-O 2.9Å; A611-P667 HydrophobicContact CB-CG 4.1Å; R613-P667 HydrophobicContact CG-CB 4.23Å; P667-C669 VanDerWaalsContact C-N 3.27Å; P667-C669 PolarHBondContact O-N 3.47Å |
| 668 | N | 82.1 | Confident | 73.1 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 39.9 | 179.6 | -54.6 | 94.2 | 0 | 0 | 0 | 112.5 | R568 L614 L639 E641 | R568-N668 PolarHBondContact NH2-O 2.66Å; L614-N668 HydrophobicContact CD1-CB 3.76Å; L614-N668 HydrophobicContact CG-CB 3.87Å; L639-N668 VanDerWaalsContact O-CB 3.31Å; L639-N668 WeakPolarHBondContact O-CB 3.28Å; L639-N668 PolarHBondContact O-ND2 3.4Å; E641-N668 PolarHBondContact N-O 3.28Å |
| 669 | C | 83.5 | Confident | 72 | Confident | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.034 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141.1 | 177.9 | -162.4 | 0 | 0 | 0 | 0 | 110.8 | M640 E641 N663 L666 P667 | M640-C669 WeakPolarHBondContact CE-O 3.4Å; E641-C669 WeakPolarHBondContact O-CA 3.27Å; N663-C669 HydrophobicContact CB-CB 4.1Å; N663-C669 WeakPolarHBondContact CB-O 3.47Å; N663-C669 PolarHBondContact N-O 3.33Å; N663-C669 VanDerWaalsContact N-O 3.09Å; L666-C669 HydrophobicContact CB-CB 3.92Å; L666-C669 WeakPolarHBondContact O-CB 3.48Å; L666-C669 PolarHBondContact O-N 3.44Å; P667-C669 VanDerWaalsContact C-N 3.27Å; P667-C669 PolarHBondContact O-N 3.47Å |
| 670 | W | 85.4 | Confident | 70.7 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 173.9 | -177.1 | 71.4 | -29.2 | 0 | 0 | 0 | 111.7 | M640 E641 C642 C643 V649 P651 L654 L661 L662 C672 P673 | M640-W670 HydrophobicContact CB-CD2 4.02Å; M640-W670 HydrophobicContact CB-CG 3.98Å; M640-W670 HydrophobicContact CB-CZ2 4.25Å; M640-W670 VanDerWaalsContact CB-NE1 3.35Å; M640-W670 HydrophobicContact CE-CB 3.87Å; M640-W670 HydrophobicContact CE-CG 4.09Å; M640-W670 PolarHBondContact O-NE1 2.97Å; E641-W670 PolarHBondContact O-N 3.38Å; C642-W670 CarbonylContact C-O 3.42Å; C642-W670 VanDerWaalsContact CA-O 3.23Å; C642-W670 WeakPolarHBondContact CA-O 3.44Å; C643-W670 PolarHBondContact N-O 2.9Å; V649-W670 HydrophobicContact CG2-CZ2 3.93Å; P651-W670 HydrophobicContact CB-CH2 3.87Å; P651-W670 HydrophobicContact CB-CZ3 4.21Å; P651-W670 HydrophobicContact CG-CH2 3.95Å; P651-W670 HydrophobicContact CG-CZ2 4.45Å; P651-W670 HydrophobicContact CG-CZ3 4.2Å; L654-W670 HydrophobicContact CD1-CH2 3.72Å; L654-W670 HydrophobicContact CD1-CZ2 3.78Å; L661-W670 CarbonylContact O-C 3.47Å; L661-W670 VanDerWaalsContact O-CA 3.28Å; L661-W670 WeakPolarHBondContact O-CA 3.43Å; L661-W670 WeakPolarHBondContact O-CB 3.41Å; L662-W670 HydrophobicContact CD2-CB 4.07Å; W670-C672 HydrophobicContact CD2-CB 4.17Å; W670-C672 VanDerWaalsContact CE2-CB 3.5Å; W670-C672 HydrophobicContact CH2-CB 4.16Å; W670-C672 HydrophobicContact CZ2-CB 3.49Å; W670-C672 VanDerWaalsContact CZ2-CB 3.49Å; W670-P673 HydrophobicContact CH2-CG 4.37Å; W670-P673 HydrophobicContact CZ3-CG 4.4Å |
| 671 | E | 86.8 | Confident | 68.9 | Low | 61 Ų | 61 | 84.5 Ų | 84.5 | 29% | 0.285 | 43% | 0.43 | S | S | . | . | trans | -99.2 | 111.2 | 158.5 | -66.6 | 174.1 | -166.1 | 0 | 0 | 106.7 | C643 I644 G660 L661 Y676 | C643-E671 WeakPolarHBondContact SG-CG 3.4Å; I644-E671 HydrophobicContact CD1-CB 4.15Å; I644-E671 HydrophobicContact CD1-CG 3.72Å; I644-E671 HydrophobicContact CG1-CG 4.19Å; G660-E671 CarbonylContact C-O 3.6Å; G660-E671 VanDerWaalsContact C-O 3.28Å; G660-E671 WeakPolarHBondContact CA-O 3.28Å; L661-E671 HydrophobicContact CB-CB 4.3Å; L661-E671 PolarHBondContact N-O 3.25Å; L661-E671 PolarHBondContact O-N 3.38Å; E671-Y676 HydrophobicContact CB-CD2 4.5Å | ||
| 672 | C | 85.3 | Confident | 66.9 | Low | 1 Ų | 1 | 89.5 Ų | 89.5 | 1% | 0.007 | 45% | 0.451 | C | S | . | . | trans | -69.9 | 155.4 | -177.2 | 72.1 | 0 | 0 | 0 | 0 | 111 | C642 L654 W670 K674 C675 Y676 | C642-C672 HydrophobicContact CB-CB 4.09Å; C642-C672 PolarHBondContact SG-N 3.25Å; C642-C672 VanDerWaalsContact SG-N 3.41Å; L654-C672 HydrophobicContact CD1-CB 4.37Å; W670-C672 HydrophobicContact CD2-CB 4.17Å; W670-C672 VanDerWaalsContact CE2-CB 3.5Å; W670-C672 HydrophobicContact CH2-CB 4.16Å; W670-C672 HydrophobicContact CZ2-CB 3.49Å; W670-C672 VanDerWaalsContact CZ2-CB 3.49Å; C672-K674 PolarHBondContact O-N 2.91Å; C672-K674 VanDerWaalsContact O-N 3.08Å; C672-C675 WeakPolarHBondContact O-CA 3.43Å; C672-C675 PolarHBondContact O-N 3.12Å; C672-Y676 PolarHBondContact O-N 3.17Å | ||
| 673 | P | 79.4 | Confident | 64.9 | Low | 12 Ų | 12 | 93 Ų | 93 | 8% | 0.078 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -49.2 | -40.1 | -177.4 | -31 | 34.9 | 0 | 0 | 0 | 114.4 | L654 G658 W670 C675 Y676 Q677 | L654-P673 HydrophobicContact CD1-CG 4.41Å; G658-P673 WeakPolarHBondContact O-CG 3.36Å; W670-P673 HydrophobicContact CH2-CG 4.37Å; W670-P673 HydrophobicContact CZ3-CG 4.4Å; P673-C675 PolarHBondContact O-N 3.37Å; P673-Y676 PolarHBondContact O-N 3.23Å; P673-Y676 VanDerWaalsContact O-N 3.15Å; P673-Q677 PolarHBondContact O-N 2.94Å |
| 674 | K | 78.4 | Confident | 62.8 | Low | 102 Ų | 102 | 94.9 Ų | 94.9 | 44% | 0.443 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -54.5 | -24.6 | 174.7 | -60 | -179.4 | 179.3 | 174.8 | 0 | 114.6 | E647 L654 C672 | E647-K674 IonicContact OE1-NZ 3.03Å; E647-K674 PolarHBondContact OE1-NZ 3.45Å; E647-K674 IonicContact OE2-NZ 3.84Å; E647-K674 PolarHBondContact OE2-NZ 3Å; L654-K674 HydrophobicContact CD2-CD 4.42Å; L654-K674 HydrophobicContact CD2-CG 4.45Å; C672-K674 PolarHBondContact O-N 2.91Å; C672-K674 VanDerWaalsContact O-N 3.08Å |
| 675 | C | 78 | Confident | 61.4 | Low | 41 Ų | 41 | 94.9 Ų | 94.9 | 28% | 0.277 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -112.8 | -3.4 | -175.1 | -60 | 0 | 0 | 0 | 0 | 113 | I644 C672 P673 | I644-C675 HydrophobicContact CB-CB 3.95Å; I644-C675 HydrophobicContact CD1-CB 3.76Å; I644-C675 HydrophobicContact CG1-CB 4.44Å; I644-C675 HydrophobicContact CG2-CB 3.96Å; C672-C675 WeakPolarHBondContact O-CA 3.43Å; C672-C675 PolarHBondContact O-N 3.12Å; P673-C675 PolarHBondContact O-N 3.37Å |
| 676 | Y | 73.8 | Confident | 60.2 | Low | 106 Ų | 106 | 95.3 Ų | 95.3 | 42% | 0.416 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -110.5 | -7.9 | -173 | -174.4 | -116.1 | 0 | 0 | 0 | 113.1 | E659 L661 E671 C672 P673 | E659-Y676 VanDerWaalsContact O-CD1 3.26Å; E659-Y676 WeakPolarHBondContact O-CD1 3.31Å; L661-Y676 HydrophobicContact CB-CD2 3.94Å; L661-Y676 HydrophobicContact CB-CE1 4.4Å; L661-Y676 HydrophobicContact CB-CE2 3.67Å; L661-Y676 HydrophobicContact CB-CG 4.45Å; L661-Y676 HydrophobicContact CD2-CE2 3.91Å; L661-Y676 HydrophobicContact CG-CE2 4.35Å; E671-Y676 HydrophobicContact CB-CD2 4.5Å; C672-Y676 PolarHBondContact O-N 3.17Å; P673-Y676 PolarHBondContact O-N 3.23Å; P673-Y676 VanDerWaalsContact O-N 3.15Å |
| 677 | Q | 60.3 | Low | 58.2 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | trans | -122.1 | 98 | 175.8 | -66.1 | -172.7 | 14.4 | 0 | 0 | 112.4 | P673 | P673-Q677 PolarHBondContact O-N 2.94Š| ||
| 678 | E | 45.2 | Very low | 56 | Low | 198 Ų | 198 | 110.5 Ų | 110.5 | 93% | 0.925 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -160.3 | 41.9 | 144.8 | -135.6 | 173.3 | -136.2 | 0 | 0 | 113.4 | ||
| 679 | D | 38.5 | Very low | 53.7 | Low | 162 Ų | 162 | 117.8 Ų | 117.8 | 87% | 0.866 | 58% | 0.575 | S | S | * | * | trans | -160.3 | 76.5 | 170.4 | -147.3 | 2.1 | 0 | 0 | 0 | 114.2 | ||||
| 680 | N | 32.5 | Very low | 51.2 | Low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | trans | -160.1 | 109.2 | 166.1 | -142 | -21.3 | 0 | 0 | 0 | 115.9 | K683 | N680-K683 PolarHBondContact OD1-N 2.9Š| ||
| 681 | S | 32.4 | Very low | 48.7 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 90% | 0.895 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -141.5 | 20.9 | 163.4 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 682 | E | 39.9 | Very low | 46 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 89% | 0.888 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -141.3 | -1.3 | -178.2 | -132.8 | 177.1 | -134.8 | 0 | 0 | 116.3 | ||
| 683 | K | 35.7 | Very low | 43.6 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 70% | 0.704 | 72% | 0.715 | S | S | * | * | trans | -109.5 | 5.4 | -177.4 | -70.5 | 175 | -176.7 | 160.4 | 0 | 116.1 | N680 Q685 | N680-K683 PolarHBondContact OD1-N 2.9Å; K683-Q685 VanDerWaalsContact C-N 3.32Å; K683-Q685 PolarHBondContact O-N 3.28Å | ||
| 684 | A | 29.9 | Very low | 41.4 | Very low | 96 Ų | 96 | 152.5 Ų | 152.5 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -63.7 | -29.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K686 | A684-K686 PolarHBondContact O-N 2.96Š|
| 685 | Q | 32.4 | Very low | 39.4 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -83.2 | 0.1 | -172.9 | -78.2 | -173.8 | -23.7 | 0 | 0 | 115.9 | K683 | K683-Q685 VanDerWaalsContact C-N 3.32Å; K683-Q685 PolarHBondContact O-N 3.28Å |
| 686 | K | 37.9 | Very low | 37.4 | Very low | 181 Ų | 181 | 159.5 Ų | 159.5 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -106.9 | -8.2 | -176.2 | -119.3 | -176 | 179.7 | -172.1 | 0 | 116.5 | A684 K688 | A684-K686 PolarHBondContact O-N 2.96Å; K686-K688 PolarHBondContact O-N 2.97Å |
| 687 | R | 30.9 | Very low | 35.5 | Very low | 212 Ų | 212 | 161 Ų | 161 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -98 | 43.5 | -176.9 | -72.6 | -174.9 | 167.6 | 177.7 | -4.6 | 113.9 | ||
| 688 | K | 28.3 | Very low | 34.1 | Very low | 198 Ų | 198 | 164.5 Ų | 164.5 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -137 | 20.2 | 176.3 | -108.6 | -170.6 | 178.9 | -172.4 | 0 | 114.9 | K686 | K686-K688 PolarHBondContact O-N 2.97Š|
| 689 | M | 32.3 | Very low | 33.5 | Very low | 178 Ų | 178 | 159.6 Ų | 159.6 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -146.1 | 17 | 178.2 | -160.8 | 133.9 | 66 | 0 | 0 | 113.9 | ||
| 690 | E | 31.6 | Very low | 33 | Very low | 177 Ų | 177 | 161.5 Ų | 161.5 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -132.3 | 33.4 | 178.8 | -66.6 | -177.5 | 157.5 | 0 | 0 | 110.9 | ||
| 691 | E | 32.5 | Very low | 32.8 | Very low | 179 Ų | 179 | 163 Ų | 163 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -122.3 | 43.3 | -177.4 | -163.4 | 174.5 | -154.3 | 0 | 0 | 110.6 | ||
| 692 | S | 31.4 | Very low | 32.5 | Very low | 111 Ų | 111 | 164.5 Ų | 164.5 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -147.4 | 0.2 | -172.4 | -169.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 693 | D | 34.8 | Very low | 31.8 | Very low | 157 Ų | 157 | 167.1 Ų | 167.1 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -133.8 | 11.2 | -173.6 | -97 | -37 | 0 | 0 | 0 | 114.1 | ||
| 694 | E | 33.4 | Very low | 31.7 | Very low | 189 Ų | 189 | 164.3 Ų | 164.3 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | trans | -95.8 | 14.1 | -178.1 | -82.2 | -85.9 | 128.5 | 0 | 0 | 114.3 | A696 | E694-A696 PolarHBondContact O-N 2.78Š| ||
| 695 | E | 35 | Very low | 31.6 | Very low | 201 Ų | 201 | 168.4 Ų | 168.4 | 94% | 0.939 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -99.1 | 40.5 | 178.2 | -153.3 | 175.5 | -148 | 0 | 0 | 113.6 | ||
| 696 | A | 37.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 170.1 Ų | 170.1 | 74% | 0.736 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -139.9 | -4.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | E694 | E694-A696 PolarHBondContact O-N 2.78Š|
| 697 | V | 33.7 | Very low | 30.7 | Very low | 137 Ų | 137 | 165.4 Ų | 165.4 | 83% | 0.83 | 83% | 0.834 | S | S | * | * | trans | -137.8 | 57.5 | -176.6 | -157.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 698 | Q | 30.6 | Very low | 30.4 | Very low | 193 Ų | 193 | 161.7 Ų | 161.7 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | trans | -83.7 | 155 | 152.6 | -74.6 | -159.1 | 4.1 | 0 | 0 | 111.9 | ||||
| 699 | A | 32.3 | Very low | 30.3 | Very low | 95 Ų | 95 | 158.8 Ų | 158.8 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 64.9 | 69.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 700 | K | 28 | Very low | 30 | Very low | 202 Ų | 202 | 159.4 Ų | 159.4 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | trans | -159.1 | 51.9 | 152.1 | -114.9 | 154.5 | -165.6 | 167.2 | 0 | 118.8 | ||||
| 701 | V | 28.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 156.2 Ų | 156.2 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -124.6 | 51.7 | 157.3 | -162.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 702 | L | 26.1 | Very low | 29.6 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -148.2 | 110.4 | 160.2 | -88.6 | -175.3 | 0 | 0 | 0 | 110.5 | ||||
| 703 | R | 25.9 | Very low | 29.4 | Very low | 244 Ų | 244 | 155.8 Ų | 155.8 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | 155.4 | 162 | 153 | -91.4 | 165.6 | -166.7 | -153.6 | 5 | 110.2 | ||||
| 704 | P | 33.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | cis | -129.6 | 133.2 | -17.5 | 29.7 | -10.9 | 0 | 0 | 0 | 113.3 | ||||
| 705 | L | 26.4 | Very low | 29.4 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 123.2 | 135.1 | -73.6 | 169.9 | 0 | 0 | 0 | 105.8 | ||
| 706 | R | 26.7 | Very low | 29.3 | Very low | 235 Ų | 235 | 145.7 Ų | 145.7 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 136.7 | 164.8 | -87.3 | -167.7 | 173.2 | -163.5 | -2 | 108.4 | ||
| 707 | S | 25.1 | Very low | 28.8 | Very low | 83 Ų | 83 | 150.2 Ų | 150.2 | 58% | 0.58 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 151.4 | 157.4 | 48.3 | 0 | 0 | 0 | 0 | 109.4 | D709 | S707-D709 WeakPolarHBondContact CB-OD2 3.3Å; S707-D709 PolarHBondContact OG-OD2 2.62Å |
| 708 | C | 25.6 | Very low | 28.5 | Very low | 133 Ų | 133 | 149 Ų | 149 | 90% | 0.899 | 81% | 0.807 | S | S | * | * | trans | -95.9 | 111.7 | 149.4 | -65.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 709 | D | 25.4 | Very low | 28.8 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -116.4 | 106.5 | 166.8 | -66.6 | -69.3 | 0 | 0 | 0 | 106.9 | S707 | S707-D709 WeakPolarHBondContact CB-OD2 3.3Å; S707-D709 PolarHBondContact OG-OD2 2.62Å | ||
| 710 | E | 25.6 | Very low | 28.5 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -139 | 145.4 | 152.8 | -107.6 | -166.4 | 119.5 | 0 | 0 | 108.4 | ||||
| 711 | P | 29.9 | Very low | 28.4 | Very low | 109 Ų | 109 | 142 Ų | 142 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -97.1 | 167.2 | -164.6 | 37.9 | -36.8 | 0 | 0 | 0 | 115.5 | ||||
| 712 | L | 26.7 | Very low | 28.2 | Very low | 156 Ų | 156 | 142 Ų | 142 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -8.7 | 140.2 | 143.9 | -55 | 171.8 | 0 | 0 | 0 | 116.2 | ||||
| 713 | T | 26.4 | Very low | 28.2 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | cis | -148.2 | -118.8 | 8.6 | 17.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 714 | P | 29.7 | Very low | 28.1 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | -108.7 | 165.6 | -116.5 | 36.9 | -24.6 | 0 | 0 | 0 | 115.9 | |||||
| 715 | P | 38.9 | Very low | 27.7 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -88.9 | 150.4 | -175.3 | 35.6 | -35.9 | 0 | 0 | 0 | 114.6 | ||||
| 716 | P | 32.2 | Very low | 27.6 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | trans | -122.7 | 136.5 | 155.1 | 7.2 | 15.5 | 0 | 0 | 0 | 114.3 | ||||
| 717 | H | 26.5 | Very low | 27.6 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | 55.6 | 120.7 | 146.1 | -48.9 | -51.7 | 0 | 0 | 0 | 122.2 | ||||
| 718 | S | 27.8 | Very low | 27.6 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -69.5 | 156.1 | 147.1 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 719 | P | 37.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | -141.6 | 170.5 | 75.5 | 38.6 | -22.1 | 0 | 0 | 0 | 116.7 | |||||
| 720 | T | 26.4 | Very low | 28.4 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -33.7 | 139.1 | 160.4 | -43.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 721 | S | 26.1 | Very low | 28.6 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | 174.1 | 143.5 | 101.4 | -145.3 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 722 | M | 24.3 | Very low | 29.3 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | trans | 46.5 | 129.2 | 138.7 | -80.3 | -159.7 | -51.8 | 0 | 0 | 124.3 | ||||
| 723 | L | 24.6 | Very low | 29.3 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 66.8 | 151.6 | 134.8 | -54.7 | 174.7 | 0 | 0 | 0 | 117.4 | ||||
| 724 | Q | 24.6 | Very low | 29.3 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | cis | -163.3 | 165.1 | -9.1 | -124.7 | 174.9 | -27.1 | 0 | 0 | 111.6 | ||||
| 725 | L | 24.9 | Very low | 29.2 | Very low | 131 Ų | 131 | 135 Ų | 135 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | 67.4 | 148.6 | 140.7 | -77.1 | 165.9 | 0 | 0 | 0 | 122.7 | ||||
| 726 | I | 24.9 | Very low | 28.5 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 67% | 0.672 | 75% | 0.752 | S | S | * | * | trans | 85.7 | 102.9 | 141.9 | -74.9 | 160.1 | 0 | 0 | 0 | 120.1 | ||||
| 727 | H | 25.8 | Very low | 28.3 | Very low | 175 Ų | 175 | 136 Ų | 136 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | 78.3 | 121.4 | 133.1 | -80.3 | -114.5 | 0 | 0 | 0 | 123.5 | ||||
| 728 | D | 25.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -48.1 | 155.5 | 138.4 | -77 | -59.8 | 0 | 0 | 0 | 112 | ||||
| 729 | P | 42.4 | Very low | 28.2 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | cis | -157.5 | 171.8 | 45.1 | 44.2 | -23 | 0 | 0 | 0 | 120.4 | ||||
| 730 | V | 25.9 | Very low | 28 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | 70.8 | 143.6 | 137.8 | 161.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 731 | S | 30.1 | Very low | 29 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -59.5 | 162.7 | 174.7 | -151.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 732 | P | 42.9 | Very low | 29.1 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | -151.8 | 174.6 | 86.5 | 40 | -21.4 | 0 | 0 | 0 | 118 | |||||
| 733 | R | 28.4 | Very low | 29.4 | Very low | 246 Ų | 246 | 135.9 Ų | 135.9 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | 0.8 | 152.7 | 144.5 | -51.1 | 171.7 | -177.7 | -170.1 | -0.6 | 118.7 | ||||
| 734 | G | 26.4 | Very low | 29.4 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | 148.8 | 179.7 | 4.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 735 | M | 26 | Very low | 30.2 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | 64.7 | 172.2 | 176.5 | -74.7 | 177.3 | 68 | 0 | 0 | 117 | ||||
| 736 | V | 25.9 | Very low | 30.3 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | -175.6 | 131 | -56.7 | 137.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 737 | T | 26.6 | Very low | 30.5 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | 156 | 138.4 | 154.3 | 39.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 738 | R | 26.7 | Very low | 30.6 | Very low | 232 Ų | 232 | 129.4 Ų | 129.4 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | cis | 88.4 | 103.2 | 30.5 | -166.2 | -170.6 | -163.9 | -156.7 | 5.1 | 113.9 | ||||
| 739 | S | 25.8 | Very low | 30.8 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 170.3 | 149.8 | 131 | -75.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 740 | S | 33 | Very low | 30.2 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -125.9 | 173.4 | 159.8 | -43.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 741 | P | 47.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | -158.8 | -174.7 | 70 | 41.5 | -19.4 | 0 | 0 | 0 | 117.2 | |||||
| 742 | G | 27.6 | Very low | 30.8 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 141.7 | 100.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 743 | A | 30.3 | Very low | 30.7 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | 52.9 | 169.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 744 | G | 24.9 | Very low | 31.4 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | cis | 119.2 | 149.4 | -17.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 745 | P | 41.8 | Very low | 32 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | cis | -127.4 | -177.4 | -0.4 | 43.1 | -26.9 | 0 | 0 | 0 | 115.7 | ||||
| 746 | S | 27.8 | Very low | 32.8 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | trans | 26.5 | 142.1 | 150.5 | 54.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 747 | D | 27.8 | Very low | 33.6 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | cis | -158.7 | 168.6 | 21 | -130.4 | -29 | 0 | 0 | 0 | 117.6 | ||||
| 748 | H | 27.9 | Very low | 34.3 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 73% | 0.731 | 73% | 0.732 | S | S | * | * | trans | 30.2 | 115.8 | 160.6 | -74.1 | -64.3 | 0 | 0 | 0 | 123.2 | ||||
| 749 | H | 29.8 | Very low | 34.9 | Very low | 199 Ų | 199 | 126.2 Ų | 126.2 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | -153.1 | 165.8 | 133.9 | -107.9 | -74.7 | 0 | 0 | 0 | 111.7 | ||||
| 750 | S | 30.3 | Very low | 35.8 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 142.7 | -166.7 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 751 | A | 32 | Very low | 36.4 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 72% | 0.719 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 133.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 752 | S | 38.1 | Very low | 35.9 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 162.8 | -177.1 | -176.1 | 0 | 0 | 0 | 0 | 114.8 | D754 | S752-D754 VanDerWaalsContact C-N 3.34Å; S752-D754 PolarHBondContact O-N 2.7Å |
| 753 | R | 40 | Very low | 36.5 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -31.2 | -177.5 | -85.1 | 177.2 | 162.7 | 166.7 | -5.2 | 114.3 | R756 | R753-R756 VanDerWaalsContact O-CB 3.29Å; R753-R756 WeakPolarHBondContact O-CB 3.32Å; R753-R756 PolarHBondContact O-N 3.39Å; R753-R756 VanDerWaalsContact O-N 3.14Å |
| 754 | D | 43.8 | Very low | 37 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 46% | 0.455 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | -34.6 | -166.6 | -167.9 | 52 | 0 | 0 | 0 | 114.1 | S752 R756 F757 K758 | S752-D754 VanDerWaalsContact C-N 3.34Å; S752-D754 PolarHBondContact O-N 2.7Å; D754-R756 PolarHBondContact O-N 3.03Å; D754-F757 PolarHBondContact O-N 2.81Å; D754-K758 PolarHBondContact O-N 2.97Å; D754-K758 WeakPolarHBondContact OD2-CE 3.47Å; D754-K758 IonicContact OD2-NZ 2.65Å; D754-K758 PolarHBondContact OD2-NZ 3.46Å |
| 755 | E | 37.4 | Very low | 37.7 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 52% | 0.523 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -53.8 | -39.8 | 169.7 | -112.8 | -63.3 | 112.5 | 0 | 0 | 111.4 | F757 R759 | E755-F757 PolarHBondContact O-N 3.37Å; E755-R759 WeakPolarHBondContact O-CB 3.4Å; E755-R759 PolarHBondContact O-N 3.24Å; E755-R759 VanDerWaalsContact O-N 3.17Å |
| 756 | R | 43.9 | Very low | 37.5 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -70.6 | -17.7 | -178 | -140.5 | -179.8 | -63.9 | -164.1 | 1.5 | 112.9 | R753 D754 | R753-R756 VanDerWaalsContact O-CB 3.29Å; R753-R756 WeakPolarHBondContact O-CB 3.32Å; R753-R756 PolarHBondContact O-N 3.39Å; R753-R756 VanDerWaalsContact O-N 3.14Å; D754-R756 PolarHBondContact O-N 3.03Å |
| 757 | F | 42.2 | Very low | 37.9 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 61% | 0.61 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87.1 | -51.4 | 176.7 | -159.6 | -95.5 | 0 | 0 | 0 | 111.5 | D754 E755 R759 R760 Q761 | D754-F757 PolarHBondContact O-N 2.81Å; E755-F757 PolarHBondContact O-N 3.37Å; F757-R759 VanDerWaalsContact C-N 3.29Å; F757-R759 PolarHBondContact O-N 3.38Å; F757-R760 WeakPolarHBondContact O-CA 3.48Å; F757-R760 PolarHBondContact O-N 2.8Å; F757-Q761 PolarHBondContact O-N 3.02Å; F757-Q761 VanDerWaalsContact O-N 3.15Å |
| 758 | K | 42.2 | Very low | 38.5 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 48% | 0.478 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -56.6 | -42.5 | 177.7 | -72.5 | 162.2 | 176.6 | 159.6 | 0 | 111.9 | D754 R760 Q761 L762 | D754-K758 PolarHBondContact O-N 2.97Å; D754-K758 WeakPolarHBondContact OD2-CE 3.47Å; D754-K758 IonicContact OD2-NZ 2.65Å; D754-K758 PolarHBondContact OD2-NZ 3.46Å; K758-R760 VanDerWaalsContact C-N 3.29Å; K758-R760 PolarHBondContact O-N 3.05Å; K758-Q761 PolarHBondContact O-N 3.39Å; K758-Q761 VanDerWaalsContact O-N 3.08Å; K758-L762 PolarHBondContact O-N 3.37Å |
| 759 | R | 38.8 | Very low | 38.8 | Very low | 176 Ų | 176 | 137 Ų | 137 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.2 | -24.7 | 176.8 | -154.4 | 163.2 | -176.6 | 160.3 | -3.6 | 113.9 | E755 F757 L763 | E755-R759 WeakPolarHBondContact O-CB 3.4Å; E755-R759 PolarHBondContact O-N 3.24Å; E755-R759 VanDerWaalsContact O-N 3.17Å; F757-R759 VanDerWaalsContact C-N 3.29Å; F757-R759 PolarHBondContact O-N 3.38Å; R759-L763 WeakPolarHBondContact O-CD1 3.03Å |
| 760 | R | 45 | Very low | 38.9 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -83.1 | -18.9 | 171.6 | -81.3 | -174.6 | 169 | -163 | -3.3 | 113.8 | F757 K758 | F757-R760 WeakPolarHBondContact O-CA 3.48Å; F757-R760 PolarHBondContact O-N 2.8Å; K758-R760 VanDerWaalsContact C-N 3.29Å; K758-R760 PolarHBondContact O-N 3.05Å |
| 761 | Q | 44.2 | Very low | 39.1 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 57% | 0.57 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.4 | -45.2 | 176 | -126.7 | 177.7 | -0.4 | 0 | 0 | 111.8 | F757 K758 L763 R764 L765 | F757-Q761 PolarHBondContact O-N 3.02Å; F757-Q761 VanDerWaalsContact O-N 3.15Å; K758-Q761 PolarHBondContact O-N 3.39Å; K758-Q761 VanDerWaalsContact O-N 3.08Å; Q761-L763 VanDerWaalsContact C-N 3.33Å; Q761-L763 PolarHBondContact O-N 2.85Å; Q761-R764 PolarHBondContact O-N 3.15Å; Q761-R764 VanDerWaalsContact O-N 3.11Å; Q761-L765 PolarHBondContact O-N 3.4Å |
| 762 | L | 38.7 | Very low | 39.2 | Very low | 116 Ų | 116 | 143 Ų | 143 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.1 | -40.8 | 175.2 | -88.6 | 89.1 | 0 | 0 | 0 | 112.5 | K758 R764 L765 Q766 | K758-L762 PolarHBondContact O-N 3.37Å; L762-R764 PolarHBondContact O-N 2.65Å; L762-R764 VanDerWaalsContact O-N 3.12Å; L762-L765 PolarHBondContact O-N 3.27Å; L762-Q766 PolarHBondContact O-N 3.17Å |
| 763 | L | 38.9 | Very low | 39 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 63% | 0.634 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -66.2 | -9.1 | 177.7 | -78.9 | 171.5 | 0 | 0 | 0 | 114.6 | R759 Q761 | R759-L763 WeakPolarHBondContact O-CD1 3.03Å; Q761-L763 VanDerWaalsContact C-N 3.33Å; Q761-L763 PolarHBondContact O-N 2.85Å |
| 764 | R | 41.8 | Very low | 38.7 | Very low | 202 Ų | 202 | 146 Ų | 146 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -97.7 | -25.8 | 172.1 | -80 | -178.8 | 167.3 | 154.5 | -4.1 | 113.8 | Q761 L762 | Q761-R764 PolarHBondContact O-N 3.15Å; Q761-R764 VanDerWaalsContact O-N 3.11Å; L762-R764 PolarHBondContact O-N 2.65Å; L762-R764 VanDerWaalsContact O-N 3.12Å |
| 765 | L | 38.9 | Very low | 38 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -78.4 | -27.5 | 176.7 | -73.4 | 165.8 | 0 | 0 | 0 | 112.6 | Q761 L762 A767 T768 | Q761-L765 PolarHBondContact O-N 3.4Å; L762-L765 PolarHBondContact O-N 3.27Å; L765-A767 VanDerWaalsContact C-N 3.29Å; L765-A767 PolarHBondContact O-N 2.68Å; L765-T768 PolarHBondContact O-OG1 2.91Å |
| 766 | Q | 37.3 | Very low | 37.7 | Very low | 142 Ų | 142 | 156.1 Ų | 156.1 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 0.2 | 173.5 | -68.7 | -175.3 | -26.7 | 0 | 0 | 114.2 | L762 | L762-Q766 PolarHBondContact O-N 3.17Š|
| 767 | A | 37.3 | Very low | 37.1 | Very low | 62 Ų | 62 | 156.1 Ų | 156.1 | 51% | 0.512 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.7 | -17.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L765 | L765-A767 VanDerWaalsContact C-N 3.29Å; L765-A767 PolarHBondContact O-N 2.68Å |
| 768 | T | 39.7 | Very low | 36.4 | Very low | 103 Ų | 103 | 157.5 Ų | 157.5 | 63% | 0.632 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -95.8 | -4.1 | -173.2 | 42 | 0 | 0 | 0 | 0 | 115.2 | L765 | L765-T768 PolarHBondContact O-OG1 2.91Š|
| 769 | E | 34.1 | Very low | 35.9 | Very low | 174 Ų | 174 | 159.2 Ų | 159.2 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -107.7 | 17 | -180 | -65.5 | -171.2 | 133.5 | 0 | 0 | 113.6 | ||
| 770 | R | 32.3 | Very low | 35.6 | Very low | 227 Ų | 227 | 156.4 Ų | 156.4 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -122.5 | 11.7 | -177 | -77.6 | -171.1 | 168.9 | -168.1 | -3.3 | 116 | ||
| 771 | T | 34.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 153 Ų | 153 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -118.1 | 19 | -178.4 | 44.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 772 | M | 34.8 | Very low | 34.1 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 89% | 0.892 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -120.5 | 9.3 | 173.8 | -61.4 | -162.8 | 83.8 | 0 | 0 | 114.9 | ||
| 773 | V | 34.6 | Very low | 33.6 | Very low | 139 Ų | 139 | 154.5 Ų | 154.5 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -136.3 | 56.6 | 175.2 | -164.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 774 | R | 32.5 | Very low | 33.2 | Very low | 241 Ų | 241 | 158.8 Ų | 158.8 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -159.8 | 44.5 | 161.3 | -133.3 | 177.4 | -172 | -173 | 0.4 | 116.8 | ||
| 775 | E | 28.7 | Very low | 32.7 | Very low | 201 Ų | 201 | 157.4 Ų | 157.4 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -147.3 | 68.3 | 167.6 | -133.3 | 162.7 | -121.3 | 0 | 0 | 112.1 | ||||
| 776 | K | 31.5 | Very low | 32.2 | Very low | 208 Ų | 208 | 158.7 Ų | 158.7 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -148.5 | 45.1 | 168.6 | -154 | -172.6 | 180 | -177.3 | 0 | 113 | ||||
| 777 | E | 31.9 | Very low | 32 | Very low | 180 Ų | 180 | 156 Ų | 156 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -157.6 | 88.2 | 170.7 | -121.6 | 164.7 | -147.9 | 0 | 0 | 110 | ||||
| 778 | N | 28.1 | Very low | 31.9 | Very low | 168 Ų | 168 | 160.2 Ų | 160.2 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | 165.5 | 111.7 | 140.7 | -85.8 | -29.5 | 0 | 0 | 0 | 110.5 | ||||
| 779 | N | 31.3 | Very low | 31.8 | Very low | 145 Ų | 145 | 161.3 Ų | 161.3 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | -122.4 | 132.1 | 169.8 | 173.9 | 26.8 | 0 | 0 | 0 | 107.6 | ||||
| 780 | P | 32.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 161 Ų | 161 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -123.8 | 128.6 | 147.8 | 33.2 | -22.4 | 0 | 0 | 0 | 112.6 | ||||
| 781 | S | 29 | Very low | 31.9 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -35.7 | 131.3 | 176.1 | -55 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 782 | G | 27.4 | Very low | 31.9 | Very low | 79 Ų | 79 | 156 Ų | 156 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | -137.5 | 93.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 783 | K | 28.8 | Very low | 31.9 | Very low | 192 Ų | 192 | 156.9 Ų | 156.9 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -76.2 | 135 | -179.7 | -71.2 | -176.6 | 177.2 | -175.5 | 0 | 111.5 | ||||
| 784 | K | 31 | Very low | 32 | Very low | 210 Ų | 210 | 158 Ų | 158 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -146.3 | 143.1 | 142.7 | -118 | 177.4 | -178.3 | -179 | 0 | 109.4 | ||||
| 785 | E | 30.3 | Very low | 31.7 | Very low | 174 Ų | 174 | 158.7 Ų | 158.7 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -95.9 | 150.3 | -168.8 | -66.4 | 166.4 | 141.2 | 0 | 0 | 111.2 | ||||
| 786 | L | 29.8 | Very low | 31.6 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -120.1 | 152.5 | 165.3 | -77.2 | 173.1 | 0 | 0 | 0 | 109.6 | ||||
| 787 | S | 33.2 | Very low | 31.6 | Very low | 85 Ų | 85 | 148.3 Ų | 148.3 | 59% | 0.594 | 80% | 0.798 | S | S | * | * | trans | -76.9 | 163.9 | -156.1 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | V789 | S787-V789 PolarHBondContact O-N 3.37Å; S787-V789 VanDerWaalsContact O-N 3.13Å | ||
| 788 | E | 34.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 151 Ų | 151 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -75.5 | -4.9 | -164.5 | -52.6 | -160.9 | 103.3 | 0 | 0 | 115.1 | E790 K791 | E788-E790 VanDerWaalsContact C-N 3.35Å; E788-E790 PolarHBondContact O-N 3.31Å; E788-K791 PolarHBondContact O-N 3.14Å; E788-K791 IonicContact OE1-NZ 2.79Å |
| 789 | V | 37.8 | Very low | 31.1 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -68.1 | -30.5 | -174.6 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | S787 | S787-V789 PolarHBondContact O-N 3.37Å; S787-V789 VanDerWaalsContact O-N 3.13Å |
| 790 | E | 36.4 | Very low | 30.8 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -83.8 | -12.1 | -179.6 | -64.6 | -167.4 | 121.8 | 0 | 0 | 114.2 | E788 A792 | E788-E790 VanDerWaalsContact C-N 3.35Å; E788-E790 PolarHBondContact O-N 3.31Å; E790-A792 PolarHBondContact O-N 3.04Å |
| 791 | K | 31.2 | Very low | 30.4 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -73.3 | -7.2 | -177.1 | -68.3 | 175 | -174.3 | 164 | 0 | 114 | E788 | E788-K791 PolarHBondContact O-N 3.14Å; E788-K791 IonicContact OE1-NZ 2.79Å |
| 792 | A | 33.9 | Very low | 30.2 | Very low | 92 Ų | 92 | 151.2 Ų | 151.2 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -95.3 | 4.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | E790 | E790-A792 PolarHBondContact O-N 3.04Š|
| 793 | K | 36.4 | Very low | 30.1 | Very low | 200 Ų | 200 | 155.2 Ų | 155.2 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -127.8 | 2.8 | -171.5 | -110.8 | 179.2 | -178.4 | 177.5 | 0 | 118.8 | ||
| 794 | I | 35.1 | Very low | 29.9 | Very low | 163 Ų | 163 | 155 Ų | 155 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -137.4 | 72.3 | 177.6 | -45.8 | -179.4 | 0 | 0 | 0 | 112.9 | ||||
| 795 | R | 27 | Very low | 29.6 | Very low | 255 Ų | 255 | 156.7 Ų | 156.7 | 96% | 0.962 | 81% | 0.806 | S | S | * | * | trans | -154 | 142.4 | 155.4 | -68.6 | -166.4 | 177.3 | -174 | -1.3 | 107.9 | ||||
| 796 | G | 27.3 | Very low | 29.4 | Very low | 76 Ų | 76 | 154.2 Ų | 154.2 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | cis | -141.5 | -156.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 797 | S | 30.3 | Very low | 29.4 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | cis | -156.4 | 133.6 | 3.9 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 798 | Y | 26.2 | Very low | 29.2 | Very low | 236 Ų | 236 | 157.8 Ų | 157.8 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -79.3 | 141.4 | 169.1 | -77 | -92.8 | 0 | 0 | 0 | 110.9 | ||||
| 799 | L | 23.7 | Very low | 28.9 | Very low | 163 Ų | 163 | 157.3 Ų | 157.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -103.2 | 108.2 | 164.8 | -87 | 167.1 | 0 | 0 | 0 | 109.9 | ||||
| 800 | T | 24.3 | Very low | 28.4 | Very low | 132 Ų | 132 | 158.1 Ų | 158.1 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -85.5 | 124.8 | 164.8 | 38.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 801 | V | 23.9 | Very low | 28 | Very low | 119 Ų | 119 | 158.9 Ų | 158.9 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | trans | -123 | 106.8 | 168.3 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | L803 | V801-L803 HydrophobicContact CG1-CG 4.39Š| ||
| 802 | T | 25.5 | Very low | 27.9 | Very low | 135 Ų | 135 | 154.7 Ų | 154.7 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | trans | -89.9 | 130.6 | 167 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 803 | L | 25.3 | Very low | 27.5 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | trans | -132.9 | 140.7 | 163.5 | -76.8 | 177.3 | 0 | 0 | 0 | 111.2 | V801 | V801-L803 HydrophobicContact CG1-CG 4.39Š| ||
| 804 | Q | 24.2 | Very low | 27.2 | Very low | 188 Ų | 188 | 153 Ų | 153 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 169.2 | 178.8 | -66.2 | 162.8 | -64.1 | 0 | 0 | 110.9 | P806 | Q804-P806 WeakPolarHBondContact O-CD 3.28Š|
| 805 | R | 25.2 | Very low | 26.9 | Very low | 244 Ų | 244 | 152.7 Ų | 152.7 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 128.5 | 172.3 | -64.9 | 175.9 | 178.1 | 164.8 | -2.1 | 111 | ||
| 806 | P | 27.1 | Very low | 27.1 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 164.2 | 155.3 | -9.7 | 28.5 | 0 | 0 | 0 | 111.1 | Q804 | Q804-P806 WeakPolarHBondContact O-CD 3.28Š|
| 807 | T | 28.2 | Very low | 27.2 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 149.4 | 177.5 | 45 | 0 | 0 | 0 | 0 | 113 | ||
| 808 | K | 30.1 | Very low | 27 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | 16.9 | 129.9 | 156.4 | -85.9 | -177.3 | 155.6 | -133.5 | 0 | 121.3 | ||||
| 809 | E | 28.4 | Very low | 27 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | 90.4 | 157.5 | 133 | -72.2 | 173.4 | -143.5 | 0 | 0 | 122.2 | ||||
| 810 | L | 26.9 | Very low | 27.1 | Very low | 144 Ų | 144 | 149 Ų | 149 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | 67.2 | 109.9 | -179 | -76 | 98.7 | 0 | 0 | 0 | 120.9 | ||||
| 811 | H | 28.1 | Very low | 27.2 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | 44.3 | 129.4 | 132.2 | -58.8 | 96.6 | 0 | 0 | 0 | 122.7 | ||||
| 812 | G | 27.9 | Very low | 27.2 | Very low | 62 Ų | 62 | 149.7 Ų | 149.7 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | 120 | 108.8 | 121.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 813 | T | 26.8 | Very low | 27.5 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | 64.3 | 167.3 | 153.2 | 58 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 814 | S | 30.8 | Very low | 27.5 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -86.8 | 142 | -171.3 | -177 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 815 | I | 27.5 | Very low | 27.5 | Very low | 158 Ų | 158 | 143 Ų | 143 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -135.4 | 130.6 | 165.9 | -60.7 | -178.7 | 0 | 0 | 0 | 108.6 | ||||
| 816 | V | 31.1 | Very low | 27.7 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -112.1 | 122.9 | 173.9 | 177.7 | 0 | 0 | 0 | 0 | 109 | K818 | V816-K818 PolarHBondContact O-N 2.79Š| ||
| 817 | P | 30.2 | Very low | 27.6 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -76.1 | 113 | 171.2 | -12.1 | 28.4 | 0 | 0 | 0 | 110.4 | ||||
| 818 | K | 26.1 | Very low | 27.5 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | -100.4 | 123.7 | 169.1 | -161 | -174.9 | -168.7 | -176.1 | 0 | 107.8 | V816 | V816-K818 PolarHBondContact O-N 2.79Š| ||
| 819 | L | 26.4 | Very low | 27.3 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | -129.7 | 140.2 | 168.9 | -83.6 | 173.6 | 0 | 0 | 0 | 110.1 | ||||
| 820 | Q | 25.4 | Very low | 27.1 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -101.9 | 157 | -171.9 | -70.2 | 167.3 | -108.6 | 0 | 0 | 111.1 | ||||
| 821 | A | 26.3 | Very low | 27 | Very low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -67.9 | 148.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 822 | I | 24.6 | Very low | 26.7 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -116.2 | 122.7 | 163.9 | -63.3 | 176.8 | 0 | 0 | 0 | 106.7 | ||||
| 823 | T | 30.1 | Very low | 27.1 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | trans | -89.7 | 145 | 171.6 | 40.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 824 | A | 25.4 | Very low | 27.1 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -141.6 | 130.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 825 | S | 26.1 | Very low | 26.8 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -111.2 | 143.3 | -177.5 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 826 | S | 27.5 | Very low | 26.7 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | 152.8 | 120.8 | 128.5 | -69.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 827 | A | 26.1 | Very low | 26.4 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | 78.1 | 130.2 | 128 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 828 | N | 26.7 | Very low | 26.1 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 95.1 | 95.4 | 135.4 | -68.8 | -15.8 | 0 | 0 | 0 | 123.8 | ||||
| 829 | L | 25.1 | Very low | 26.1 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | 90.7 | 118.6 | 114 | -73.4 | 169.2 | 0 | 0 | 0 | 122.6 | |||||
| 830 | R | 23.2 | Very low | 26 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | 73.8 | 148.4 | 149.1 | -59.4 | 174.3 | -174.4 | -166 | 2.8 | 116.9 | ||||
| 831 | H | 24.7 | Very low | 26.7 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | cis | -133.9 | 168.5 | 7.8 | -101.6 | -73.4 | 0 | 0 | 0 | 112.8 | ||||
| 832 | S | 22.2 | Very low | 26.7 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -86.9 | 171 | 173.7 | -40.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 833 | P | 36.3 | Very low | 26.8 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | -123.2 | 156.1 | 63 | 25.2 | -5 | 0 | 0 | 0 | 113.4 | |||||
| 834 | R | 26.5 | Very low | 26.7 | Very low | 226 Ų | 226 | 140.1 Ų | 140.1 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | 52.2 | 128.4 | 70.4 | -71.4 | -172.6 | 172.7 | -177.3 | -2.6 | 112.1 | |||||
| 835 | V | 25.8 | Very low | 27.1 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | cis | -156.1 | 161 | 47.7 | 163.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 836 | L | 24 | Very low | 27.1 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 61% | 0.613 | 79% | 0.786 | S | S | * | * | cis | -177 | 126.4 | -30.8 | -173 | 162.8 | 0 | 0 | 0 | 106.8 | Q838 | L836-Q838 HydrophobicContact CD2-CB 4.09Š| ||
| 837 | V | 26.2 | Very low | 27.2 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -135.8 | 139.3 | 161.4 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 838 | Q | 24.5 | Very low | 27.2 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -122.2 | 155.2 | -166.1 | -169.8 | 165.7 | -23.8 | 0 | 0 | 112.2 | L836 | L836-Q838 HydrophobicContact CD2-CB 4.09Š| ||
| 839 | H | 25 | Very low | 27.3 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -120.6 | 148.2 | -164.1 | -104.1 | -91 | 0 | 0 | 0 | 113.3 | ||||
| 840 | C | 25 | Very low | 27.5 | Very low | 112 Ų | 112 | 153.3 Ų | 153.3 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | 65.4 | 178 | 143 | -68.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 841 | P | 38.6 | Very low | 27.9 | Very low | 126 Ų | 126 | 152.5 Ų | 152.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -128.9 | -175.3 | 3.5 | 42 | -24.8 | 0 | 0 | 0 | 116.2 | ||||
| 842 | A | 26.7 | Very low | 28 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -97.3 | 171.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 843 | R | 27.9 | Very low | 28.4 | Very low | 245 Ų | 245 | 151 Ų | 151 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -151.7 | 162.9 | 165.4 | -119.6 | 178.6 | -175.4 | -172.2 | -0.6 | 113.4 | ||||
| 844 | T | 26.4 | Very low | 28 | Very low | 118 Ų | 118 | 149 Ų | 149 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | -82.9 | 157.5 | -173.7 | 45.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 845 | P | 34.4 | Very low | 28.1 | Very low | 128 Ų | 128 | 141 Ų | 141 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -80.8 | 129.9 | 165.8 | 33.1 | -31.9 | 0 | 0 | 0 | 111.8 | ||||
| 846 | Q | 26.4 | Very low | 28.4 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -144.2 | 133.9 | 155.4 | -92.3 | -173.1 | -42.7 | 0 | 0 | 106.1 | ||||
| 847 | R | 29 | Very low | 28.7 | Very low | 254 Ų | 254 | 145 Ų | 145 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | -157.3 | 130 | 165.8 | -146.9 | 175.5 | -172.2 | -170.4 | -1.6 | 109.3 | ||||
| 848 | G | 26.4 | Very low | 29 | Very low | 50 Ų | 50 | 145.6 Ų | 145.6 | 52% | 0.515 | 79% | 0.793 | S | S | . | * | trans | -112.8 | 147.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 849 | D | 29.2 | Very low | 29.3 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 71.9 | 143 | 134.7 | -41.3 | -34.2 | 0 | 0 | 0 | 121.2 | ||||
| 850 | E | 30 | Very low | 29.4 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | 66 | 131 | 166 | -68.1 | 169.7 | -166.8 | 0 | 0 | 117.7 | ||||
| 851 | E | 30.5 | Very low | 29.6 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | cis | -163 | 157.2 | -2.2 | -145.4 | -178.1 | -154.1 | 0 | 0 | 111.8 | ||||
| 852 | G | 27.7 | Very low | 29 | Very low | 60 Ų | 60 | 147.5 Ų | 147.5 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | trans | 104.5 | 113.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 853 | L | 29.6 | Very low | 29.1 | Very low | 187 Ų | 187 | 151.2 Ų | 151.2 | 98% | 0.979 | 78% | 0.781 | S | S | * | * | trans | 66.4 | 137 | 149.8 | -46 | 175.3 | 0 | 0 | 0 | 118.9 | ||||
| 854 | G | 28.1 | Very low | 29.1 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | 170 | 163.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 855 | G | 28.8 | Very low | 29.2 | Very low | 60 Ų | 60 | 149.2 Ų | 149.2 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | trans | 98.9 | 122.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 856 | E | 31.7 | Very low | 28.8 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | 73 | 122.4 | 75.1 | -69.9 | 158 | -157.3 | 0 | 0 | 111 | |||||
| 857 | E | 30.7 | Very low | 28.9 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | cis | -152.8 | 154.4 | 5.2 | -103.1 | 158.8 | -170.5 | 0 | 0 | 109.7 | ||||
| 858 | E | 31.6 | Very low | 28.7 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 28.1 | 148.8 | 130.2 | -69.2 | 151.2 | -162.9 | 0 | 0 | 120.6 | ||||
| 859 | E | 30.6 | Very low | 28.7 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -157.5 | 147.9 | 10.6 | -115.9 | 161.2 | -161.6 | 0 | 0 | 107.7 | ||||
| 860 | E | 29 | Very low | 28.8 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | 61.8 | 144 | 96.7 | -66.1 | 177.1 | -176.8 | 0 | 0 | 115.2 | |||||
| 861 | E | 28 | Very low | 28.6 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | cis | -152.8 | 155.9 | 4.3 | -116.6 | 166.2 | -175.5 | 0 | 0 | 107.8 | ||||
| 862 | E | 27.3 | Very low | 28.5 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | 57.1 | 157.1 | 92.6 | -52.9 | -170.7 | 172.2 | 0 | 0 | 114.5 | |||||
| 863 | E | 27.8 | Very low | 28.4 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | cis | -144.9 | 171.4 | 14.9 | -120.2 | 179.8 | -177.6 | 0 | 0 | 106.1 | ||||
| 864 | E | 28.1 | Very low | 28.2 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | cis | -161 | 138.2 | -11.1 | -160.5 | -167.9 | -150.5 | 0 | 0 | 107.5 | ||||
| 865 | E | 28 | Very low | 28.1 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 42.6 | 177.9 | 151.6 | -77.1 | -178 | -168.3 | 0 | 0 | 122.8 | ||||
| 866 | E | 26.2 | Very low | 28 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | cis | -145.1 | 157.3 | 16.7 | -157.5 | 174.8 | -154.9 | 0 | 0 | 111.9 | ||||
| 867 | D | 28.3 | Very low | 27.9 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -118.5 | 142.4 | -175.4 | -171.2 | 22.1 | 0 | 0 | 0 | 110.6 | ||||
| 868 | D | 25.6 | Very low | 27.6 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -157.6 | 159.4 | 165.8 | -149 | -4.5 | 0 | 0 | 0 | 114.6 | ||||
| 869 | S | 26.5 | Very low | 27.4 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -150.8 | -163.4 | -157.6 | 68.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 870 | A | 30.7 | Very low | 27.1 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | 68 | 167.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 871 | E | 26.9 | Very low | 27 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | cis | -164.1 | 166.1 | -29.7 | -111.7 | -155.7 | 151.2 | 0 | 0 | 107 | ||||
| 872 | E | 27.9 | Very low | 26.8 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | cis | -157.7 | 161.1 | -23.6 | -152.9 | -67.5 | 100.3 | 0 | 0 | 106.3 | ||||
| 873 | G | 25.4 | Very low | 26.9 | Very low | 59 Ų | 59 | 135.9 Ų | 135.9 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | 94.5 | 152.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 874 | G | 24.4 | Very low | 26.8 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | cis | 148.1 | 146.2 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 875 | A | 26.4 | Very low | 27 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | cis | -164.2 | -175.9 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 876 | A | 27.8 | Very low | 27.4 | Very low | 85 Ų | 85 | 137.3 Ų | 137.3 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | 71.7 | 151.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 877 | R | 27.8 | Very low | 27.7 | Very low | 226 Ų | 226 | 135.1 Ų | 135.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | cis | -169 | 153.1 | -14.4 | -96.3 | 162.8 | -168.7 | 171.8 | 3.4 | 103.8 | ||||
| 878 | L | 26 | Very low | 28 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | cis | -166.8 | 167.4 | -2.7 | -106 | 165.4 | 0 | 0 | 0 | 105.2 | ||||
| 879 | N | 26.6 | Very low | 28.6 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | cis | -150 | 174.1 | 7.2 | -163.6 | -0.5 | 0 | 0 | 0 | 109 | ||||
| 880 | G | 23.6 | Very low | 29.1 | Very low | 55 Ų | 55 | 129.7 Ų | 129.7 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | trans | -129.6 | 147.3 | -178 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 881 | R | 27.4 | Very low | 30.1 | Very low | 262 Ų | 262 | 129.7 Ų | 129.7 | 99% | 0.989 | 75% | 0.745 | S | S | * | * | trans | 174 | 141.9 | 153.4 | -98.8 | 169.9 | -166 | -96.6 | 1.9 | 107.6 | ||||
| 882 | G | 23.1 | Very low | 30.8 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | cis | 162.7 | 116.1 | -4.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 883 | S | 31.5 | Very low | 31.7 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | 17.4 | 119 | 172 | -165.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 884 | W | 25 | Very low | 33.8 | Very low | 258 Ų | 258 | 127.2 Ų | 127.2 | 98% | 0.977 | 71% | 0.712 | S | S | * | * | -129.1 | 130.6 | 122.7 | -80.3 | 85 | 0 | 0 | 0 | 108.4 | |||||
| 885 | A | 31.9 | Very low | 36.6 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | trans | -101.5 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 886 | Q | 35.8 | Very low | 39.3 | Very low | 192 Ų | 192 | 127.3 Ų | 127.3 | 90% | 0.897 | 67% | 0.67 | S | S | * | * | trans | 68.8 | 100.7 | 178.7 | -55.6 | 174.6 | -14.1 | 0 | 0 | 114.4 | ||||
| 887 | D | 32.4 | Very low | 42.1 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 72% | 0.722 | 66% | 0.661 | S | S | * | * | -153.8 | 153 | 96.9 | -139.4 | -32.8 | 0 | 0 | 0 | 111.4 | |||||
| 888 | G | 35.6 | Very low | 44.9 | Very low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | trans | 178.5 | -20.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 889 | D | 37.1 | Very low | 47.9 | Very low | 117 Ų | 117 | 114.5 Ų | 114.5 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -87.2 | -19.2 | -176.4 | -145.9 | -2.5 | 0 | 0 | 0 | 112.6 | S891 W892 | D889-S891 VanDerWaalsContact C-N 3.28Å; D889-S891 PolarHBondContact O-N 2.82Å; D889-W892 PolarHBondContact O-NE1 3.25Å; D889-W892 PolarHBondContact OD1-NE1 2.94Å |
| 890 | E | 37.9 | Very low | 50.8 | Low | 112 Ų | 112 | 110.6 Ų | 110.6 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.8 | -27.5 | -178.8 | -72 | -142.6 | 146.8 | 0 | 0 | 114.8 | W892 M893 Q894 | E890-W892 PolarHBondContact O-N 2.72Å; E890-M893 PolarHBondContact O-N 2.66Å; E890-Q894 WeakPolarHBondContact O-CG 3.3Å; E890-Q894 PolarHBondContact O-N 3.09Å; E890-Q894 PolarHBondContact OE2-NE2 2.65Å; E890-Q894 VanDerWaalsContact OE2-NE2 3.17Å |
| 891 | S | 51.7 | Low | 53.9 | Low | 91 Ų | 91 | 111 Ų | 111 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.7 | -39.4 | -166.8 | -176.8 | 0 | 0 | 0 | 0 | 113.8 | D889 | D889-S891 VanDerWaalsContact C-N 3.28Å; D889-S891 PolarHBondContact O-N 2.82Å |
| 892 | W | 41.8 | Very low | 57 | Low | 151 Ų | 151 | 98.6 Ų | 98.6 | 57% | 0.572 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -76.2 | -37.7 | -179.4 | 67.9 | -92.4 | 0 | 0 | 0 | 112.2 | D889 E890 Q894 R895 E896 | D889-W892 PolarHBondContact O-NE1 3.25Å; D889-W892 PolarHBondContact OD1-NE1 2.94Å; E890-W892 PolarHBondContact O-N 2.72Å; W892-Q894 VanDerWaalsContact C-N 3.35Å; W892-Q894 PolarHBondContact O-N 3.01Å; W892-R895 PolarHBondContact O-N 3.21Å; W892-E896 PolarHBondContact O-N 3.05Å |
| 893 | M | 46.3 | Very low | 60.1 | Low | 110 Ų | 110 | 104.9 Ų | 104.9 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 174.5 | -73.8 | -150.9 | 178.3 | 0 | 0 | 111 | E890 R895 E896 V897 | E890-M893 PolarHBondContact O-N 2.66Å; M893-R895 VanDerWaalsContact C-N 3.29Å; M893-R895 PolarHBondContact O-N 3.43Å; M893-E896 PolarHBondContact O-N 3.08Å; M893-V897 WeakPolarHBondContact O-CB 3.19Å; M893-V897 VanDerWaalsContact O-CG2 3.28Å; M893-V897 WeakPolarHBondContact O-CG2 3.4Å; M893-V897 PolarHBondContact O-N 3.48Å |
| 894 | Q | 70.3 | Confident | 62.9 | Low | 94 Ų | 94 | 109.5 Ų | 109.5 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -55.4 | -42.6 | 178.9 | -70.2 | -178.1 | 22.3 | 0 | 0 | 112 | E890 W892 W898 | E890-Q894 WeakPolarHBondContact O-CG 3.3Å; E890-Q894 PolarHBondContact O-N 3.09Å; E890-Q894 PolarHBondContact OE2-NE2 2.65Å; E890-Q894 VanDerWaalsContact OE2-NE2 3.17Å; W892-Q894 VanDerWaalsContact C-N 3.35Å; W892-Q894 PolarHBondContact O-N 3.01Å; Q894-W898 WeakPolarHBondContact O-CB 3.45Å; Q894-W898 PolarHBondContact O-N 3.29Å |
| 895 | R | 82.2 | Confident | 65.9 | Low | 105 Ų | 105 | 99.6 Ų | 99.6 | 40% | 0.396 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -50.2 | 179.2 | 179.6 | 177.5 | 174.1 | -172.1 | -4.5 | 112.6 | W892 M893 V897 W898 M899 W923 D926 | W892-R895 PolarHBondContact O-N 3.21Å; M893-R895 VanDerWaalsContact C-N 3.29Å; M893-R895 PolarHBondContact O-N 3.43Å; R895-V897 VanDerWaalsContact C-N 3.35Å; R895-W898 PolarHBondContact O-N 3.14Å; R895-M899 HydrophobicContact CG-CG 4.35Å; R895-M899 WeakPolarHBondContact O-CG 3.21Å; R895-M899 PolarHBondContact O-N 3.22Å; R895-W923 HydrophobicContact CB-CH2 4.48Å; R895-W923 HydrophobicContact CB-CZ2 3.96Å; R895-W923 HydrophobicContact CG-CD2 4.37Å; R895-W923 HydrophobicContact CG-CZ2 4.09Å; R895-D926 IonicContact NH2-OD2 3.19Å |
| 896 | E | 84.4 | Confident | 68.5 | Low | 75 Ų | 75 | 98.7 Ų | 98.7 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.2 | -23.1 | -174.8 | -70.3 | -62.4 | 126.5 | 0 | 0 | 112.8 | W892 M893 S900 R928 | W892-E896 PolarHBondContact O-N 3.05Å; M893-E896 PolarHBondContact O-N 3.08Å; E896-S900 WeakPolarHBondContact O-CB 3.3Å; E896-S900 PolarHBondContact O-N 2.82Å; E896-S900 PolarHBondContact O-OG 3.21Å; E896-R928 IonicContact OE1-CZ 3.52Å; E896-R928 IonicContact OE1-NH1 3.3Å; E896-R928 PolarHBondContact OE1-NH1 2.83Å; E896-R928 IonicContact OE1-NH2 2.69Å; E896-R928 PolarHBondContact OE1-NH2 2.96Å; E896-R928 IonicContact OE2-CZ 2.68Å; E896-R928 IonicContact OE2-NH1 2.67Å; E896-R928 PolarHBondContact OE2-NH1 2.87Å; E896-R928 IonicContact OE2-NH2 3.13Å |
| 897 | V | 85.7 | Confident | 70.8 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -50.6 | 161.8 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | M893 R895 M899 S900 V901 | M893-V897 WeakPolarHBondContact O-CB 3.19Å; M893-V897 VanDerWaalsContact O-CG2 3.28Å; M893-V897 WeakPolarHBondContact O-CG2 3.4Å; M893-V897 PolarHBondContact O-N 3.48Å; R895-V897 VanDerWaalsContact C-N 3.35Å; V897-M899 VanDerWaalsContact C-N 3.34Å; V897-M899 PolarHBondContact O-N 2.99Å; V897-S900 WeakPolarHBondContact O-CA 3.44Å; V897-S900 WeakPolarHBondContact O-CB 3.34Å; V897-S900 PolarHBondContact O-N 3.48Å; V897-S900 VanDerWaalsContact O-N 3.08Å; V897-V901 PolarHBondContact O-N 3.28Å |
| 898 | W | 87.3 | Confident | 73.3 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 34% | 0.341 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 176.7 | -80.3 | 115.6 | 0 | 0 | 0 | 112.9 | Q894 R895 S900 V901 F902 W920 W923 | Q894-W898 WeakPolarHBondContact O-CB 3.45Å; Q894-W898 PolarHBondContact O-N 3.29Å; R895-W898 PolarHBondContact O-N 3.14Å; W898-S900 VanDerWaalsContact C-N 3.3Å; W898-S900 PolarHBondContact O-N 3.06Å; W898-V901 HydrophobicContact CE3-CB 4.27Å; W898-V901 HydrophobicContact CE3-CG1 4.29Å; W898-V901 HydrophobicContact CZ3-CG1 4.23Å; W898-V901 PolarHBondContact O-N 2.94Å; W898-F902 HydrophobicContact CB-CE2 4.29Å; W898-F902 HydrophobicContact CB-CZ 4.33Å; W898-F902 AromaticContact CE3-CE1 3.85Å; W898-F902 HydrophobicContact CE3-CE1 3.85Å; W898-F902 HydrophobicContact CE3-CZ 4.2Å; W898-F902 HydrophobicContact CZ3-CE1 4.48Å; W898-F902 WeakPolarHBondContact O-CB 3.45Å; W898-F902 WeakPolarHBondContact O-CD1 3.35Å; W898-F902 WeakPolarHBondContact O-CD2 3.07Å; W898-F902 WeakPolarHBondContact O-CG 3.37Å; W898-F902 PolarHBondContact O-N 3.34Å; W898-W920 HydrophobicContact CD2-CZ2 4.05Å; W898-W920 HydrophobicContact CE3-CH2 4.18Å; W898-W920 AromaticContact CE3-CZ2 3.75Å; W898-W920 HydrophobicContact CE3-CZ2 3.75Å; W898-W920 AromaticContact CH2-CH2 3.93Å; W898-W920 HydrophobicContact CH2-CH2 3.93Å; W898-W920 AromaticContact CH2-CZ2 3.58Å; W898-W920 HydrophobicContact CH2-CZ2 3.58Å; W898-W920 AromaticContact CZ2-CZ2 3.86Å; W898-W920 HydrophobicContact CZ2-CZ2 3.86Å; W898-W920 AromaticContact CZ3-CH2 3.66Å; W898-W920 HydrophobicContact CZ3-CH2 3.66Å; W898-W920 AromaticContact CZ3-CZ2 3.51Å; W898-W920 HydrophobicContact CZ3-CZ2 3.51Å; W898-W923 HydrophobicContact CB-CE3 3.97Å; W898-W923 HydrophobicContact CB-CZ3 3.8Å; W898-W923 AromaticContact CD1-CZ3 3.52Å; W898-W923 HydrophobicContact CG-CE3 4.34Å; W898-W923 AromaticContact CG-CZ3 3.76Å; W898-W923 HydrophobicContact CG-CZ3 3.76Å |
| 899 | M | 89 | Confident | 75.9 | Confident | 8 Ų | 8 | 97.5 Ų | 97.5 | 4% | 0.039 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 173 | -73.6 | -60.2 | -46.4 | 0 | 0 | 112.5 | R895 V897 F902 R903 W923 D926 R928 L929 | R895-M899 HydrophobicContact CG-CG 4.35Å; R895-M899 WeakPolarHBondContact O-CG 3.21Å; R895-M899 PolarHBondContact O-N 3.22Å; V897-M899 VanDerWaalsContact C-N 3.34Å; V897-M899 PolarHBondContact O-N 2.99Å; M899-F902 HydrophobicContact SD-CD2 4.34Å; M899-R903 PolarHBondContact O-N 3.07Å; M899-R903 VanDerWaalsContact O-N 3.12Å; M899-W923 HydrophobicContact SD-CB 4.36Å; M899-D926 HydrophobicContact CE-CB 3.71Å; M899-D926 HydrophobicContact SD-CB 4.11Å; M899-R928 HydrophobicContact CE-CB 4.44Å; M899-L929 HydrophobicContact CE-CD1 3.82Å; M899-L929 HydrophobicContact CE-CD2 3.94Å; M899-L929 HydrophobicContact CE-CG 3.77Å; M899-L929 HydrophobicContact SD-CD1 4.4Å |
| 900 | S | 86.4 | Confident | 78.4 | Confident | 69 Ų | 69 | 92.1 Ų | 92.1 | 48% | 0.483 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.4 | -39.8 | 174 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | E896 V897 W898 Y904 | E896-S900 WeakPolarHBondContact O-CB 3.3Å; E896-S900 PolarHBondContact O-N 2.82Å; E896-S900 PolarHBondContact O-OG 3.21Å; V897-S900 WeakPolarHBondContact O-CA 3.44Å; V897-S900 WeakPolarHBondContact O-CB 3.34Å; V897-S900 PolarHBondContact O-N 3.48Å; V897-S900 VanDerWaalsContact O-N 3.08Å; W898-S900 VanDerWaalsContact C-N 3.3Å; W898-S900 PolarHBondContact O-N 3.06Å; S900-Y904 WeakPolarHBondContact O-CD2 3.27Å; S900-Y904 WeakPolarHBondContact O-CE2 3.09Å |
| 901 | V | 88.9 | Confident | 80.6 | Confident | 64 Ų | 64 | 89.5 Ų | 89.5 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.2 | -49.4 | 171.8 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | V897 W898 R903 Y904 | V897-V901 PolarHBondContact O-N 3.28Å; W898-V901 HydrophobicContact CE3-CB 4.27Å; W898-V901 HydrophobicContact CE3-CG1 4.29Å; W898-V901 HydrophobicContact CZ3-CG1 4.23Å; W898-V901 PolarHBondContact O-N 2.94Å; V901-R903 PolarHBondContact O-N 2.79Å; V901-Y904 PolarHBondContact O-N 3.34Å |
| 902 | F | 92.2 | Very high | 82.4 | Confident | 1 Ų | 1 | 89.6 Ų | 89.6 | 0% | 0.004 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.9 | -26.2 | -179.2 | -67.4 | -15.5 | 0 | 0 | 0 | 113.3 | W898 M899 Y904 L905 L910 W920 W923 L929 | W898-F902 HydrophobicContact CB-CE2 4.29Å; W898-F902 HydrophobicContact CB-CZ 4.33Å; W898-F902 AromaticContact CE3-CE1 3.85Å; W898-F902 HydrophobicContact CE3-CE1 3.85Å; W898-F902 HydrophobicContact CE3-CZ 4.2Å; W898-F902 HydrophobicContact CZ3-CE1 4.48Å; W898-F902 WeakPolarHBondContact O-CB 3.45Å; W898-F902 WeakPolarHBondContact O-CD1 3.35Å; W898-F902 WeakPolarHBondContact O-CD2 3.07Å; W898-F902 WeakPolarHBondContact O-CG 3.37Å; W898-F902 PolarHBondContact O-N 3.34Å; M899-F902 HydrophobicContact SD-CD2 4.34Å; F902-Y904 PolarHBondContact O-N 2.86Å; F902-L905 HydrophobicContact CD1-CD1 3.75Å; F902-L905 HydrophobicContact CE1-CD1 4.43Å; F902-L905 PolarHBondContact O-N 2.98Å; F902-L910 HydrophobicContact CB-CD2 3.87Å; F902-L910 HydrophobicContact CG-CD2 4.23Å; F902-W920 HydrophobicContact CE1-CD2 4.31Å; F902-W920 HydrophobicContact CE1-CE3 4.15Å; F902-W920 HydrophobicContact CE1-CH2 4.23Å; F902-W920 HydrophobicContact CE1-CZ2 4.4Å; F902-W920 HydrophobicContact CE1-CZ3 4.11Å; F902-W920 AromaticContact CZ-CD2 3.78Å; F902-W920 HydrophobicContact CZ-CD2 3.78Å; F902-W920 AromaticContact CZ-CE2 3.95Å; F902-W920 HydrophobicContact CZ-CE3 4.02Å; F902-W920 HydrophobicContact CZ-CG 4.11Å; F902-W920 HydrophobicContact CZ-CZ2 4.34Å; F902-W920 HydrophobicContact CZ-CZ3 4.4Å; F902-W923 HydrophobicContact CD2-CB 4.41Å; F902-W923 HydrophobicContact CE2-CB 3.85Å; F902-W923 HydrophobicContact CE2-CE3 4.04Å; F902-W923 HydrophobicContact CZ-CE3 4.42Å; F902-L929 HydrophobicContact CB-CD1 3.93Å; F902-L929 HydrophobicContact CB-CD2 3.92Å; F902-L929 HydrophobicContact CD2-CD1 4.38Å |
| 903 | R | 89.1 | Confident | 84.6 | Confident | 202 Ų | 202 | 83.3 Ų | 83.3 | 76% | 0.762 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.9 | 173.2 | 179.9 | 177.7 | 170.4 | -175.4 | -4 | 113.6 | M899 V901 L929 | M899-R903 PolarHBondContact O-N 3.07Å; M899-R903 VanDerWaalsContact O-N 3.12Å; V901-R903 PolarHBondContact O-N 2.79Å; R903-L929 HydrophobicContact CB-CD2 4.45Å |
| 904 | Y | 89.3 | Confident | 86.6 | Confident | 200 Ų | 200 | 78.9 Ų | 78.9 | 78% | 0.784 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -11.7 | 176.6 | -63.7 | -79.7 | 0 | 0 | 0 | 113.6 | S900 V901 F902 | S900-Y904 WeakPolarHBondContact O-CD2 3.27Å; S900-Y904 WeakPolarHBondContact O-CE2 3.09Å; V901-Y904 PolarHBondContact O-N 3.34Å; F902-Y904 PolarHBondContact O-N 2.86Å |
| 905 | L | 88.6 | Confident | 87.5 | Confident | 50 Ų | 50 | 84.8 Ų | 84.8 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -80.5 | 143.2 | 179.7 | -61 | -176.5 | 0 | 0 | 0 | 111.5 | F902 E909 L910 C913 | F902-L905 HydrophobicContact CD1-CD1 3.75Å; F902-L905 HydrophobicContact CE1-CD1 4.43Å; F902-L905 PolarHBondContact O-N 2.98Å; L905-E909 HydrophobicContact CB-CB 4.07Å; L905-E909 HydrophobicContact CD2-CB 4.38Å; L905-L910 HydrophobicContact CB-CD2 4.01Å; L905-L910 HydrophobicContact CB-CG 4.01Å; L905-L910 HydrophobicContact CD1-CD2 4.16Å; L905-C913 VanDerWaalsContact CD1-SG 3.6Å |
| 906 | S | 86.8 | Confident | 87.7 | Confident | 55 Ų | 55 | 84.2 Ų | 84.2 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | trans | -67.9 | 159.9 | 170.2 | 74.8 | 0 | 0 | 0 | 0 | 111.2 | R908 E909 L910 | S906-R908 PolarHBondContact O-N 3.03Å; S906-R908 PolarHBondContact OG-N 2.76Å; S906-E909 WeakPolarHBondContact CA-OE2 3.33Å; S906-E909 WeakPolarHBondContact CB-OE2 3.23Å; S906-E909 PolarHBondContact N-OE2 3Å; S906-E909 PolarHBondContact O-N 3.02Å; S906-E909 VanDerWaalsContact O-N 3.07Å; S906-E909 PolarHBondContact OG-N 2.74Å; S906-E909 PolarHBondContact OG-OE2 2.94Å; S906-L910 WeakPolarHBondContact O-CG 3.43Å; S906-L910 PolarHBondContact O-N 2.95Å | ||
| 907 | R | 84.5 | Confident | 87.6 | Confident | 99 Ų | 99 | 83.2 Ų | 83.2 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.4 | -24.5 | 173.9 | -61.7 | -177.8 | -157.8 | 138.3 | 7.8 | 113.7 | C911 W930 K932 | R907-C911 PolarHBondContact O-N 2.95Å; R907-C911 PolarHBondContact O-SG 3.34Å; R907-C911 VanDerWaalsContact O-SG 3.41Å; R907-W930 HydrophobicContact CB-CH2 3.84Å; R907-W930 HydrophobicContact CB-CZ3 3.69Å; R907-W930 HydrophobicContact CG-CE3 4.14Å; R907-W930 HydrophobicContact CG-CH2 4.26Å; R907-W930 HydrophobicContact CG-CZ3 3.73Å; R907-K932 PolarHBondContact NE-O 3.35Å; R907-K932 PolarHBondContact NH2-O 2.81Å; R907-K932 VanDerWaalsContact NH2-O 3.14Å |
| 908 | R | 84.1 | Confident | 87.2 | Confident | 181 Ų | 181 | 84.5 Ų | 84.5 | 68% | 0.683 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74.9 | -52.1 | 175.6 | 177.7 | 179 | 171 | 173.7 | -3.4 | 110.4 | S906 L910 C911 E912 | S906-R908 PolarHBondContact O-N 3.03Å; S906-R908 PolarHBondContact OG-N 2.76Å; R908-L910 VanDerWaalsContact C-N 3.27Å; R908-L910 PolarHBondContact O-N 2.89Å; R908-C911 CarbonylContact O-C 3.51Å; R908-C911 WeakPolarHBondContact O-CA 3.28Å; R908-C911 WeakPolarHBondContact O-CB 3.32Å; R908-C911 PolarHBondContact O-N 2.82Å; R908-E912 WeakPolarHBondContact CG-OE1 3.4Å; R908-E912 IonicContact CZ-OE1 3.54Å; R908-E912 IonicContact NE-OE1 3.33Å; R908-E912 PolarHBondContact NE-OE1 2.65Å; R908-E912 IonicContact NH2-OE1 2.7Å; R908-E912 PolarHBondContact NH2-OE1 2.8Å; R908-E912 PolarHBondContact O-N 3.48Å |
| 909 | E | 91.4 | Very high | 87 | Confident | 86 Ų | 86 | 83.3 Ų | 83.3 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 177.5 | -70 | 149.6 | 136.6 | 0 | 0 | 110.6 | L905 S906 C911 E912 C913 | L905-E909 HydrophobicContact CB-CB 4.07Å; L905-E909 HydrophobicContact CD2-CB 4.38Å; S906-E909 WeakPolarHBondContact CA-OE2 3.33Å; S906-E909 WeakPolarHBondContact CB-OE2 3.23Å; S906-E909 PolarHBondContact N-OE2 3Å; S906-E909 PolarHBondContact O-N 3.02Å; S906-E909 VanDerWaalsContact O-N 3.07Å; S906-E909 PolarHBondContact OG-N 2.74Å; S906-E909 PolarHBondContact OG-OE2 2.94Å; E909-C911 VanDerWaalsContact C-N 3.33Å; E909-C911 PolarHBondContact O-N 2.78Å; E909-E912 CarbonylContact O-C 3.04Å; E909-E912 WeakPolarHBondContact O-CA 3.28Å; E909-E912 WeakPolarHBondContact O-CB 3.48Å; E909-E912 PolarHBondContact O-N 3.02Å; E909-C913 WeakPolarHBondContact O-CB 3.25Å; E909-C913 PolarHBondContact O-N 3.07Å; E909-C913 PolarHBondContact O-SG 2.85Å |
| 910 | L | 89.4 | Confident | 86.9 | Confident | 3 Ų | 3 | 85.5 Ų | 85.5 | 2% | 0.016 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 171.2 | -69.9 | 174.4 | 0 | 0 | 0 | 113.2 | F902 L905 S906 R908 E912 C913 M914 C924 L929 W930 | F902-L910 HydrophobicContact CB-CD2 3.87Å; F902-L910 HydrophobicContact CG-CD2 4.23Å; L905-L910 HydrophobicContact CB-CD2 4.01Å; L905-L910 HydrophobicContact CB-CG 4.01Å; L905-L910 HydrophobicContact CD1-CD2 4.16Å; S906-L910 WeakPolarHBondContact O-CG 3.43Å; S906-L910 PolarHBondContact O-N 2.95Å; R908-L910 VanDerWaalsContact C-N 3.27Å; R908-L910 PolarHBondContact O-N 2.89Å; L910-E912 VanDerWaalsContact C-N 3.26Å; L910-E912 PolarHBondContact O-N 3.15Å; L910-C913 PolarHBondContact O-N 3.37Å; L910-M914 WeakPolarHBondContact O-CB 3.41Å; L910-M914 WeakPolarHBondContact O-CG 3.47Å; L910-M914 PolarHBondContact O-N 3.41Å; L910-C924 HydrophobicContact CD2-CB 4.47Å; L910-L929 HydrophobicContact CD1-CB 3.93Å; L910-L929 HydrophobicContact CD1-CD1 4.47Å; L910-L929 HydrophobicContact CD2-CD1 4.08Å; L910-W930 HydrophobicContact CB-CZ2 4Å; L910-W930 HydrophobicContact CD1-CZ2 4.32Å |
| 911 | C | 84.2 | Confident | 86.9 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.8 | -20.2 | 173.7 | -79.3 | 0 | 0 | 0 | 0 | 113.4 | R907 R908 E909 | R907-C911 PolarHBondContact O-N 2.95Å; R907-C911 PolarHBondContact O-SG 3.34Å; R907-C911 VanDerWaalsContact O-SG 3.41Å; R908-C911 CarbonylContact O-C 3.51Å; R908-C911 WeakPolarHBondContact O-CA 3.28Å; R908-C911 WeakPolarHBondContact O-CB 3.32Å; R908-C911 PolarHBondContact O-N 2.82Å; E909-C911 VanDerWaalsContact C-N 3.33Å; E909-C911 PolarHBondContact O-N 2.78Å |
| 912 | E | 89.1 | Confident | 86.7 | Confident | 92 Ų | 92 | 90.6 Ų | 90.6 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -84.6 | -41.9 | 173.2 | -68 | 168.2 | -173.1 | 0 | 0 | 109.8 | R908 E909 L910 M914 R915 | R908-E912 WeakPolarHBondContact CG-OE1 3.4Å; R908-E912 IonicContact CZ-OE1 3.54Å; R908-E912 IonicContact NE-OE1 3.33Å; R908-E912 PolarHBondContact NE-OE1 2.65Å; R908-E912 IonicContact NH2-OE1 2.7Å; R908-E912 PolarHBondContact NH2-OE1 2.8Å; R908-E912 PolarHBondContact O-N 3.48Å; E909-E912 CarbonylContact O-C 3.04Å; E909-E912 WeakPolarHBondContact O-CA 3.28Å; E909-E912 WeakPolarHBondContact O-CB 3.48Å; E909-E912 PolarHBondContact O-N 3.02Å; L910-E912 VanDerWaalsContact C-N 3.26Å; L910-E912 PolarHBondContact O-N 3.15Å; E912-M914 VanDerWaalsContact C-N 3.32Å; E912-M914 PolarHBondContact O-N 2.9Å; E912-R915 VanDerWaalsContact O-CB 3.3Å; E912-R915 WeakPolarHBondContact O-CB 3.38Å; E912-R915 PolarHBondContact O-N 2.94Å |
| 913 | C | 87.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 92.8 Ų | 92.8 | 14% | 0.135 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.2 | -35.8 | 169.8 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | L905 E909 L910 R915 V916 W920 | L905-C913 VanDerWaalsContact CD1-SG 3.6Å; E909-C913 WeakPolarHBondContact O-CB 3.25Å; E909-C913 PolarHBondContact O-N 3.07Å; E909-C913 PolarHBondContact O-SG 2.85Å; L910-C913 PolarHBondContact O-N 3.37Å; C913-R915 PolarHBondContact O-N 2.77Å; C913-V916 WeakPolarHBondContact O-CB 3.35Å; C913-V916 WeakPolarHBondContact O-CG2 3.3Å; C913-V916 PolarHBondContact O-N 3.07Å; C913-W920 HydrophobicContact CB-CE3 3.78Å; C913-W920 HydrophobicContact CB-CZ3 4.11Å |
| 914 | M | 88.3 | Confident | 86.5 | Confident | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -16.6 | 171.1 | -80.9 | 172.4 | -170.1 | 0 | 0 | 114 | L910 E912 Y921 C924 W930 R952 | L910-M914 WeakPolarHBondContact O-CB 3.41Å; L910-M914 WeakPolarHBondContact O-CG 3.47Å; L910-M914 PolarHBondContact O-N 3.41Å; E912-M914 VanDerWaalsContact C-N 3.32Å; E912-M914 PolarHBondContact O-N 2.9Å; M914-Y921 HydrophobicContact CB-CD2 3.98Å; M914-Y921 HydrophobicContact CG-CD2 4.24Å; M914-Y921 WeakPolarHBondContact O-CD2 3.3Å; M914-C924 VanDerWaalsContact CE-C 3.4Å; M914-C924 HydrophobicContact CE-CB 3.64Å; M914-C924 WeakPolarHBondContact CE-O 3.38Å; M914-C924 HydrophobicContact CG-CB 3.56Å; M914-W930 HydrophobicContact CE-CZ2 3.64Å; M914-R952 PolarHBondContact SD-NH2 2.99Å |
| 915 | R | 88.3 | Confident | 86.4 | Confident | 218 Ų | 218 | 74.5 Ų | 74.5 | 82% | 0.823 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -4.2 | -179.9 | -55.3 | 173.3 | 59.1 | 128.4 | 2.6 | 113.6 | E912 C913 | E912-R915 VanDerWaalsContact O-CB 3.3Å; E912-R915 WeakPolarHBondContact O-CB 3.38Å; E912-R915 PolarHBondContact O-N 2.94Å; C913-R915 PolarHBondContact O-N 2.77Å |
| 916 | V | 87.3 | Confident | 86.4 | Confident | 93 Ų | 93 | 73.2 Ų | 73.2 | 56% | 0.564 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -51.1 | -174.2 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | C913 W920 | C913-V916 WeakPolarHBondContact O-CB 3.35Å; C913-V916 WeakPolarHBondContact O-CG2 3.3Å; C913-V916 PolarHBondContact O-N 3.07Å; V916-W920 HydrophobicContact CB-CB 4.38Å; V916-W920 HydrophobicContact CB-CD2 4.18Å; V916-W920 HydrophobicContact CB-CE3 3.79Å; V916-W920 HydrophobicContact CB-CG 4.45Å; V916-W920 HydrophobicContact CB-CZ3 4.49Å; V916-W920 HydrophobicContact CG1-CD2 4.16Å; V916-W920 HydrophobicContact CG1-CE3 4.03Å; V916-W920 HydrophobicContact CG2-CE3 3.76Å; V916-W920 HydrophobicContact CG2-CZ3 4.09Å |
| 917 | C | 81.7 | Confident | 86.4 | Confident | 55 Ų | 55 | 77.5 Ų | 77.5 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | trans | -159.9 | 167.8 | 176.2 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | T919 W920 Y921 | C917-T919 PolarHBondContact O-N 2.79Å; C917-W920 PolarHBondContact O-N 2.74Å; C917-W920 PolarHBondContact SG-N 2.78Å; C917-Y921 PolarHBondContact O-N 3.48Å | ||
| 918 | K | 77.5 | Confident | 86.6 | Confident | 114 Ų | 114 | 78.4 Ų | 78.4 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -52.2 | -39 | 175.7 | -72 | -177.3 | 178 | 178.3 | 0 | 111.9 | D30 K922 | D30-K918 IonicContact OD1-NZ 3.2Å; D30-K918 PolarHBondContact OD1-NZ 3.24Å; D30-K918 IonicContact OD2-NZ 3.73Å; D30-K918 PolarHBondContact OD2-NZ 3.13Å; K918-K922 WeakPolarHBondContact O-CG 3.38Å; K918-K922 PolarHBondContact O-N 2.72Å |
| 919 | T | 83.1 | Confident | 86.8 | Confident | 66 Ų | 66 | 70.8 Ų | 70.8 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.8 | -48.3 | 179.8 | -52 | 0 | 0 | 0 | 0 | 112.6 | C917 Y921 K922 W923 | C917-T919 PolarHBondContact O-N 2.79Å; T919-Y921 VanDerWaalsContact C-N 3.29Å; T919-Y921 PolarHBondContact O-N 3.18Å; T919-K922 WeakPolarHBondContact O-CB 3.42Å; T919-K922 PolarHBondContact O-N 3.46Å; T919-K922 VanDerWaalsContact O-N 3.14Å; T919-W923 HydrophobicContact CG2-CD2 3.9Å; T919-W923 VanDerWaalsContact CG2-CE2 3.46Å; T919-W923 HydrophobicContact CG2-CE3 4.23Å; T919-W923 HydrophobicContact CG2-CH2 3.85Å; T919-W923 HydrophobicContact CG2-CZ2 3.45Å; T919-W923 VanDerWaalsContact CG2-CZ2 3.45Å; T919-W923 HydrophobicContact CG2-CZ3 4.21Å; T919-W923 PolarHBondContact O-N 3.3Å |
| 920 | W | 87.5 | Confident | 86.7 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 21% | 0.205 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.3 | -33.2 | 176.3 | -80.8 | 32.9 | 0 | 0 | 0 | 111.9 | W898 F902 C913 V916 C917 W923 C924 | W898-W920 HydrophobicContact CD2-CZ2 4.05Å; W898-W920 HydrophobicContact CE3-CH2 4.18Å; W898-W920 AromaticContact CE3-CZ2 3.75Å; W898-W920 HydrophobicContact CE3-CZ2 3.75Å; W898-W920 AromaticContact CH2-CH2 3.93Å; W898-W920 HydrophobicContact CH2-CH2 3.93Å; W898-W920 AromaticContact CH2-CZ2 3.58Å; W898-W920 HydrophobicContact CH2-CZ2 3.58Å; W898-W920 AromaticContact CZ2-CZ2 3.86Å; W898-W920 HydrophobicContact CZ2-CZ2 3.86Å; W898-W920 AromaticContact CZ3-CH2 3.66Å; W898-W920 HydrophobicContact CZ3-CH2 3.66Å; W898-W920 AromaticContact CZ3-CZ2 3.51Å; W898-W920 HydrophobicContact CZ3-CZ2 3.51Å; F902-W920 HydrophobicContact CE1-CD2 4.31Å; F902-W920 HydrophobicContact CE1-CE3 4.15Å; F902-W920 HydrophobicContact CE1-CH2 4.23Å; F902-W920 HydrophobicContact CE1-CZ2 4.4Å; F902-W920 HydrophobicContact CE1-CZ3 4.11Å; F902-W920 AromaticContact CZ-CD2 3.78Å; F902-W920 HydrophobicContact CZ-CD2 3.78Å; F902-W920 AromaticContact CZ-CE2 3.95Å; F902-W920 HydrophobicContact CZ-CE3 4.02Å; F902-W920 HydrophobicContact CZ-CG 4.11Å; F902-W920 HydrophobicContact CZ-CZ2 4.34Å; F902-W920 HydrophobicContact CZ-CZ3 4.4Å; C913-W920 HydrophobicContact CB-CE3 3.78Å; C913-W920 HydrophobicContact CB-CZ3 4.11Å; V916-W920 HydrophobicContact CB-CB 4.38Å; V916-W920 HydrophobicContact CB-CD2 4.18Å; V916-W920 HydrophobicContact CB-CE3 3.79Å; V916-W920 HydrophobicContact CB-CG 4.45Å; V916-W920 HydrophobicContact CB-CZ3 4.49Å; V916-W920 HydrophobicContact CG1-CD2 4.16Å; V916-W920 HydrophobicContact CG1-CE3 4.03Å; V916-W920 HydrophobicContact CG2-CE3 3.76Å; V916-W920 HydrophobicContact CG2-CZ3 4.09Å; C917-W920 PolarHBondContact O-N 2.74Å; C917-W920 PolarHBondContact SG-N 2.78Å; W920-W923 AromaticContact CD1-CE3 3.96Å; W920-C924 WeakPolarHBondContact O-CB 3.34Å; W920-C924 PolarHBondContact O-N 3.05Å; W920-C924 PolarHBondContact O-SG 3.33Å |
| 921 | Y | 85.7 | Confident | 86.7 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 43% | 0.427 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 168.6 | -175.4 | -82 | 0 | 0 | 0 | 112 | M914 C917 T919 W923 C925 | M914-Y921 HydrophobicContact CB-CD2 3.98Å; M914-Y921 HydrophobicContact CG-CD2 4.24Å; M914-Y921 WeakPolarHBondContact O-CD2 3.3Å; C917-Y921 PolarHBondContact O-N 3.48Å; T919-Y921 VanDerWaalsContact C-N 3.29Å; T919-Y921 PolarHBondContact O-N 3.18Å; Y921-W923 PolarHBondContact O-N 3.24Å; Y921-C925 PolarHBondContact O-N 2.98Å; Y921-C925 PolarHBondContact O-SG 3.41Å |
| 922 | K | 85.1 | Confident | 87 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.1 | -47.3 | 176.9 | -74.7 | 175.2 | -179.8 | -179.4 | 0 | 110.4 | E33 K918 T919 | E33-K922 IonicContact OE1-NZ 2.95Å; E33-K922 PolarHBondContact OE1-NZ 2.8Å; K918-K922 WeakPolarHBondContact O-CG 3.38Å; K918-K922 PolarHBondContact O-N 2.72Å; T919-K922 WeakPolarHBondContact O-CB 3.42Å; T919-K922 PolarHBondContact O-N 3.46Å; T919-K922 VanDerWaalsContact O-N 3.14Å |
| 923 | W | 89.8 | Confident | 87.1 | Confident | 47 Ų | 47 | 68 Ų | 68 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.8 | -45.9 | -179 | -64.7 | -13.4 | 0 | 0 | 0 | 114.3 | R895 W898 M899 F902 T919 W920 Y921 C925 D926 | R895-W923 HydrophobicContact CB-CH2 4.48Å; R895-W923 HydrophobicContact CB-CZ2 3.96Å; R895-W923 HydrophobicContact CG-CD2 4.37Å; R895-W923 HydrophobicContact CG-CZ2 4.09Å; W898-W923 HydrophobicContact CB-CE3 3.97Å; W898-W923 HydrophobicContact CB-CZ3 3.8Å; W898-W923 AromaticContact CD1-CZ3 3.52Å; W898-W923 HydrophobicContact CG-CE3 4.34Å; W898-W923 AromaticContact CG-CZ3 3.76Å; W898-W923 HydrophobicContact CG-CZ3 3.76Å; M899-W923 HydrophobicContact SD-CB 4.36Å; F902-W923 HydrophobicContact CD2-CB 4.41Å; F902-W923 HydrophobicContact CE2-CB 3.85Å; F902-W923 HydrophobicContact CE2-CE3 4.04Å; F902-W923 HydrophobicContact CZ-CE3 4.42Å; T919-W923 HydrophobicContact CG2-CD2 3.9Å; T919-W923 VanDerWaalsContact CG2-CE2 3.46Å; T919-W923 HydrophobicContact CG2-CE3 4.23Å; T919-W923 HydrophobicContact CG2-CH2 3.85Å; T919-W923 HydrophobicContact CG2-CZ2 3.45Å; T919-W923 VanDerWaalsContact CG2-CZ2 3.45Å; T919-W923 HydrophobicContact CG2-CZ3 4.21Å; T919-W923 PolarHBondContact O-N 3.3Å; W920-W923 AromaticContact CD1-CE3 3.96Å; Y921-W923 PolarHBondContact O-N 3.24Å; W923-C925 PolarHBondContact O-N 3.26Å; W923-D926 VanDerWaalsContact O-CB 3.24Å; W923-D926 WeakPolarHBondContact O-CB 3.43Å; W923-D926 PolarHBondContact O-N 3.21Å |
| 924 | C | 88.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -12.5 | 179.8 | -68.4 | 0 | 0 | 0 | 0 | 112.8 | L910 M914 W920 W930 | L910-C924 HydrophobicContact CD2-CB 4.47Å; M914-C924 VanDerWaalsContact CE-C 3.4Å; M914-C924 HydrophobicContact CE-CB 3.64Å; M914-C924 WeakPolarHBondContact CE-O 3.38Å; M914-C924 HydrophobicContact CG-CB 3.56Å; W920-C924 WeakPolarHBondContact O-CB 3.34Å; W920-C924 PolarHBondContact O-N 3.05Å; W920-C924 PolarHBondContact O-SG 3.33Å; C924-W930 PolarHBondContact O-NE1 3.02Å |
| 925 | C | 86.6 | Confident | 87.4 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 12% | 0.122 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.4 | 172.3 | -69.3 | 0 | 0 | 0 | 0 | 114.3 | Y921 W923 K927 | Y921-C925 PolarHBondContact O-N 2.98Å; Y921-C925 PolarHBondContact O-SG 3.41Å; W923-C925 PolarHBondContact O-N 3.26Å; C925-K927 PolarHBondContact O-N 2.95Å |
| 926 | D | 87.9 | Confident | 87.6 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | trans | -58.3 | 129.4 | 179.1 | -174.1 | -36.3 | 0 | 0 | 0 | 111.4 | R895 M899 W923 R928 L929 | R895-D926 IonicContact NH2-OD2 3.19Å; M899-D926 HydrophobicContact CE-CB 3.71Å; M899-D926 HydrophobicContact SD-CB 4.11Å; W923-D926 VanDerWaalsContact O-CB 3.24Å; W923-D926 WeakPolarHBondContact O-CB 3.43Å; W923-D926 PolarHBondContact O-N 3.21Å; D926-R928 PolarHBondContact O-N 2.83Å; D926-R928 WeakPolarHBondContact OD1-CB 3.29Å; D926-R928 VanDerWaalsContact OD1-CG 3.31Å; D926-R928 WeakPolarHBondContact OD1-CG 3.26Å; D926-R928 PolarHBondContact OD1-N 3.16Å; D926-R928 IonicContact OD1-NE 3.1Å; D926-R928 PolarHBondContact OD1-NE 3.08Å; D926-R928 IonicContact OD2-CZ 2.82Å; D926-R928 VanDerWaalsContact OD2-CZ 3.32Å; D926-R928 IonicContact OD2-NE 2.76Å; D926-R928 PolarHBondContact OD2-NE 3.23Å; D926-R928 IonicContact OD2-NH2 3.45Å; D926-R928 PolarHBondContact OD2-NH2 3.17Å; D926-L929 WeakPolarHBondContact O-CB 3.41Å; D926-L929 PolarHBondContact O-N 3.02Å | ||
| 927 | K | 87.8 | Confident | 87.7 | Confident | 144 Ų | 144 | 68.3 Ų | 68.3 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -52.1 | -26.7 | 179.8 | 64.5 | -174.2 | 179.4 | -176.8 | 0 | 114.1 | C925 L929 W930 R952 Q953 | C925-K927 PolarHBondContact O-N 2.95Å; K927-L929 PolarHBondContact O-N 2.84Å; K927-W930 PolarHBondContact O-N 3.18Å; K927-R952 WeakPolarHBondContact CA-O 3.39Å; K927-Q953 HydrophobicContact CB-CB 4.33Å |
| 928 | R | 88.1 | Confident | 87.8 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -58.6 | -27.3 | 174.9 | -69.2 | -177.7 | -74.2 | 173.3 | -3 | 113 | E896 M899 D926 | E896-R928 IonicContact OE1-CZ 3.52Å; E896-R928 IonicContact OE1-NH1 3.3Å; E896-R928 PolarHBondContact OE1-NH1 2.83Å; E896-R928 IonicContact OE1-NH2 2.69Å; E896-R928 PolarHBondContact OE1-NH2 2.96Å; E896-R928 IonicContact OE2-CZ 2.68Å; E896-R928 IonicContact OE2-NH1 2.67Å; E896-R928 PolarHBondContact OE2-NH1 2.87Å; E896-R928 IonicContact OE2-NH2 3.13Å; M899-R928 HydrophobicContact CE-CB 4.44Å; D926-R928 PolarHBondContact O-N 2.83Å; D926-R928 WeakPolarHBondContact OD1-CB 3.29Å; D926-R928 VanDerWaalsContact OD1-CG 3.31Å; D926-R928 WeakPolarHBondContact OD1-CG 3.26Å; D926-R928 PolarHBondContact OD1-N 3.16Å; D926-R928 IonicContact OD1-NE 3.1Å; D926-R928 PolarHBondContact OD1-NE 3.08Å; D926-R928 IonicContact OD2-CZ 2.82Å; D926-R928 VanDerWaalsContact OD2-CZ 3.32Å; D926-R928 IonicContact OD2-NE 2.76Å; D926-R928 PolarHBondContact OD2-NE 3.23Å; D926-R928 IonicContact OD2-NH2 3.45Å; D926-R928 PolarHBondContact OD2-NH2 3.17Å |
| 929 | L | 88.3 | Confident | 87.8 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -92.3 | -15.7 | -176.9 | -55.7 | 173.3 | 0 | 0 | 0 | 113.4 | M899 F902 R903 L910 D926 K927 | M899-L929 HydrophobicContact CE-CD1 3.82Å; M899-L929 HydrophobicContact CE-CD2 3.94Å; M899-L929 HydrophobicContact CE-CG 3.77Å; M899-L929 HydrophobicContact SD-CD1 4.4Å; F902-L929 HydrophobicContact CB-CD1 3.93Å; F902-L929 HydrophobicContact CB-CD2 3.92Å; F902-L929 HydrophobicContact CD2-CD1 4.38Å; R903-L929 HydrophobicContact CB-CD2 4.45Å; L910-L929 HydrophobicContact CD1-CB 3.93Å; L910-L929 HydrophobicContact CD1-CD1 4.47Å; L910-L929 HydrophobicContact CD2-CD1 4.08Å; D926-L929 WeakPolarHBondContact O-CB 3.41Å; D926-L929 PolarHBondContact O-N 3.02Å; K927-L929 PolarHBondContact O-N 2.84Å |
| 930 | W | 89.1 | Confident | 87.4 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | trans | -117.4 | 29.2 | -170.4 | -65.1 | 95.8 | 0 | 0 | 0 | 113.6 | R907 L910 M914 C924 K927 K932 I933 R952 P954 | R907-W930 HydrophobicContact CB-CH2 3.84Å; R907-W930 HydrophobicContact CB-CZ3 3.69Å; R907-W930 HydrophobicContact CG-CE3 4.14Å; R907-W930 HydrophobicContact CG-CH2 4.26Å; R907-W930 HydrophobicContact CG-CZ3 3.73Å; L910-W930 HydrophobicContact CB-CZ2 4Å; L910-W930 HydrophobicContact CD1-CZ2 4.32Å; M914-W930 HydrophobicContact CE-CZ2 3.64Å; C924-W930 PolarHBondContact O-NE1 3.02Å; K927-W930 PolarHBondContact O-N 3.18Å; W930-K932 PolarHBondContact O-N 2.96Å; W930-K932 VanDerWaalsContact O-N 3.12Å; W930-I933 HydrophobicContact CB-CD1 4.47Å; W930-I933 HydrophobicContact CE3-CD1 4.14Å; W930-I933 HydrophobicContact CE3-CG1 3.87Å; W930-R952 HydrophobicContact CB-CB 3.88Å; W930-R952 HydrophobicContact CB-CG 4.38Å; W930-R952 HydrophobicContact CD2-CG 4.21Å; W930-R952 HydrophobicContact CG-CB 3.92Å; W930-R952 HydrophobicContact CG-CG 3.86Å; W930-P954 WeakPolarHBondContact O-CA 3.38Å; W930-P954 WeakPolarHBondContact O-CB 3.39Å | ||
| 931 | T | 88.6 | Confident | 87.3 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -49.1 | -39.8 | -177.9 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | V955 S956 | T931-V955 WeakPolarHBondContact O-CA 3.34Å; T931-V955 WeakPolarHBondContact O-CB 3.28Å; T931-V955 PolarHBondContact O-N 2.81Å; T931-S956 PolarHBondContact O-N 3.46Å |
| 932 | K | 90.9 | Very high | 87.2 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 30% | 0.296 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.1 | 164.5 | 179.1 | 170.9 | -177.6 | -179.5 | 0 | 110.4 | R907 W930 S956 | R907-K932 PolarHBondContact NE-O 3.35Å; R907-K932 PolarHBondContact NH2-O 2.81Å; R907-K932 VanDerWaalsContact NH2-O 3.14Å; W930-K932 PolarHBondContact O-N 2.96Å; W930-K932 VanDerWaalsContact O-N 3.12Å; K932-S956 CarbonylContact C-O 3.57Å; K932-S956 VanDerWaalsContact CA-O 3.27Å; K932-S956 WeakPolarHBondContact CA-O 3.49Å |
| 933 | I | 91.8 | Very high | 87 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.1 | 164.1 | -75 | 178 | 0 | 0 | 0 | 108.6 | W930 L935 I949 R952 P954 S956 L957 D958 | W930-I933 HydrophobicContact CB-CD1 4.47Å; W930-I933 HydrophobicContact CE3-CD1 4.14Å; W930-I933 HydrophobicContact CE3-CG1 3.87Å; I933-L935 HydrophobicContact CG2-CD1 4.07Å; I933-L935 HydrophobicContact CG2-CG 3.91Å; I933-I949 HydrophobicContact CD1-CG2 4.43Å; I933-R952 HydrophobicContact CD1-CB 4.16Å; I933-P954 HydrophobicContact CB-CB 4.2Å; I933-P954 HydrophobicContact CB-CG 4.46Å; I933-P954 HydrophobicContact CD1-CB 4.07Å; I933-P954 HydrophobicContact CD1-CG 3.98Å; I933-P954 HydrophobicContact CG1-CB 4.04Å; I933-P954 HydrophobicContact CG1-CG 4.4Å; I933-S956 PolarHBondContact N-O 3.47Å; I933-L957 HydrophobicContact CB-CD1 3.96Å; I933-L957 HydrophobicContact CG2-CD1 3.68Å; I933-D958 PolarHBondContact O-N 2.97Å |
| 934 | D | 90.8 | Very high | 86.5 | Confident | 69 Ų | 69 | 70.4 Ų | 70.4 | 37% | 0.369 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121.7 | 176.8 | -170.1 | -22.5 | 0 | 0 | 0 | 108.5 | S936 D958 | D934-S936 VanDerWaalsContact OD1-CB 3.32Å; D934-S936 WeakPolarHBondContact OD1-CB 3.47Å; D934-S936 PolarHBondContact OD1-N 2.99Å; D934-S936 PolarHBondContact OD1-OG 2.99Å; D934-D958 HydrophobicContact CB-CB 4.33Å |
| 935 | L | 91.4 | Very high | 86.3 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 24% | 0.241 | 37% | 0.369 | C | S | . | . | trans | -129.2 | 19.2 | 176.5 | -64.1 | 170.7 | 0 | 0 | 0 | 110.4 | I933 C938 I949 D958 L959 T962 | I933-L935 HydrophobicContact CG2-CD1 4.07Å; I933-L935 HydrophobicContact CG2-CG 3.91Å; L935-C938 HydrophobicContact CB-CB 4.44Å; L935-C938 WeakPolarHBondContact O-CB 3.26Å; L935-C938 PolarHBondContact O-N 3.04Å; L935-C938 VanDerWaalsContact O-N 3.08Å; L935-I949 HydrophobicContact CD1-CD1 3.44Å; L935-I949 VanDerWaalsContact CD1-CD1 3.44Å; L935-I949 HydrophobicContact CD1-CG1 4.03Å; L935-D958 PolarHBondContact N-O 3.47Å; L935-L959 HydrophobicContact CB-CD2 4.31Å; L935-L959 HydrophobicContact CD1-CD2 4.34Å; L935-T962 WeakPolarHBondContact O-CG2 3.04Å | ||
| 936 | S | 92 | Very high | 86.4 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 33% | 0.329 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 141.9 | -177.5 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | D934 C938 S960 | D934-S936 VanDerWaalsContact OD1-CB 3.32Å; D934-S936 WeakPolarHBondContact OD1-CB 3.47Å; D934-S936 PolarHBondContact OD1-N 2.99Å; D934-S936 PolarHBondContact OD1-OG 2.99Å; S936-C938 PolarHBondContact O-N 3.31Å; S936-S960 CarbonylContact C-O 3.36Å; S936-S960 WeakPolarHBondContact CA-O 3.39Å; S936-S960 WeakPolarHBondContact CB-O 3.4Å |
| 937 | R | 89.1 | Confident | 86.3 | Confident | 192 Ų | 192 | 72.6 Ų | 72.6 | 73% | 0.725 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 13.2 | -174.9 | -56.8 | 173.8 | 179.2 | -163.2 | -1.2 | 115.3 | K939 S960 W961 | R937-K939 PolarHBondContact O-N 3.17Å; R937-S960 PolarHBondContact N-O 3.27Å; R937-W961 HydrophobicContact CG-CB 3.83Å; R937-W961 HydrophobicContact CG-CG 4.44Å |
| 938 | C | 85.4 | Confident | 86.2 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 31% | 0.311 | 35% | 0.351 | S | S | . | . | trans | -61.3 | 122.8 | 172 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | L935 S936 A940 T962 | L935-C938 HydrophobicContact CB-CB 4.44Å; L935-C938 WeakPolarHBondContact O-CB 3.26Å; L935-C938 PolarHBondContact O-N 3.04Å; L935-C938 VanDerWaalsContact O-N 3.08Å; S936-C938 PolarHBondContact O-N 3.31Å; C938-A940 VanDerWaalsContact C-N 3.33Å; C938-A940 PolarHBondContact O-N 3.27Å; C938-A940 PolarHBondContact SG-O 2.75Å; C938-T962 HydrophobicContact CB-CG2 3.95Å | ||
| 939 | K | 75.7 | Confident | 86.3 | Confident | 196 Ų | 196 | 61 Ų | 61 | 85% | 0.852 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -63.2 | -33.7 | -172.6 | -65 | -175.8 | 178.3 | -178.4 | 0 | 113.9 | R937 | R937-K939 PolarHBondContact O-N 3.17Š|
| 940 | A | 76.3 | Confident | 86.5 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | trans | -160.9 | 134.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | C938 | C938-A940 VanDerWaalsContact C-N 3.33Å; C938-A940 PolarHBondContact O-N 3.27Å; C938-A940 PolarHBondContact SG-O 2.75Å | ||
| 941 | I | 84.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | trans | -98.6 | 105 | -179.5 | -43.5 | 179.1 | 0 | 0 | 0 | 109.8 | A945 L946 L959 I964 Q968 | I941-A945 HydrophobicContact CG2-CB 4.06Å; I941-L946 HydrophobicContact CB-CD2 4.36Å; I941-L946 HydrophobicContact CG2-CD2 3.54Å; I941-L946 HydrophobicContact CG2-CG 3.83Å; I941-L959 HydrophobicContact CD1-CD2 3.57Å; I941-I964 HydrophobicContact CD1-CB 4.09Å; I941-I964 HydrophobicContact CD1-CD1 4.07Å; I941-I964 HydrophobicContact CD1-CG1 4.24Å; I941-Q968 PolarHBondContact O-NE2 3.14Å | ||
| 942 | V | 84.1 | Confident | 86.5 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 47% | 0.473 | 34% | 0.342 | S | S | . | . | trans | -72.9 | 153.7 | -178.7 | -62 | 0 | 0 | 0 | 0 | 112.4 | Q944 A945 L946 | V942-Q944 HydrophobicContact CG2-CB 4.36Å; V942-Q944 PolarHBondContact O-N 2.64Å; V942-Q944 VanDerWaalsContact O-N 3.15Å; V942-A945 HydrophobicContact CG2-CB 3.83Å; V942-A945 WeakPolarHBondContact O-CA 3.19Å; V942-A945 WeakPolarHBondContact O-CB 3.5Å; V942-A945 PolarHBondContact O-N 3.33Å; V942-L946 PolarHBondContact O-N 2.86Å; V942-L946 VanDerWaalsContact O-N 3.15Å | ||
| 943 | P | 81.4 | Confident | 86.5 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 53% | 0.532 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.4 | -35.3 | 179.7 | -27.9 | 36.3 | 0 | 0 | 0 | 114.2 | A945 L946 S947 | P943-A945 VanDerWaalsContact C-N 3.33Å; P943-A945 PolarHBondContact O-N 3.47Å; P943-L946 PolarHBondContact O-N 3.24Å; P943-S947 PolarHBondContact O-N 2.75Å; P943-S947 PolarHBondContact O-OG 3.25Å |
| 944 | Q | 79.4 | Confident | 86.7 | Confident | 144 Ų | 144 | 64.3 Ų | 64.3 | 67% | 0.673 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65 | -34.8 | 176 | -64.9 | 81 | -5.4 | 0 | 0 | 112.4 | V942 G948 | V942-Q944 HydrophobicContact CG2-CB 4.36Å; V942-Q944 PolarHBondContact O-N 2.64Å; V942-Q944 VanDerWaalsContact O-N 3.15Å; Q944-G948 PolarHBondContact O-N 3.18Å |
| 945 | A | 82.4 | Confident | 86.8 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.1 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I941 V942 P943 G948 I949 | I941-A945 HydrophobicContact CG2-CB 4.06Å; V942-A945 HydrophobicContact CG2-CB 3.83Å; V942-A945 WeakPolarHBondContact O-CA 3.19Å; V942-A945 WeakPolarHBondContact O-CB 3.5Å; V942-A945 PolarHBondContact O-N 3.33Å; P943-A945 VanDerWaalsContact C-N 3.33Å; P943-A945 PolarHBondContact O-N 3.47Å; A945-G948 CarbonylContact O-C 3.45Å; A945-G948 WeakPolarHBondContact O-CA 3.22Å; A945-G948 PolarHBondContact O-N 2.69Å; A945-I949 WeakPolarHBondContact O-CG1 3.38Å; A945-I949 PolarHBondContact O-N 3.39Å |
| 946 | L | 88.9 | Confident | 87 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 174.4 | -61.7 | 170.3 | 0 | 0 | 0 | 111.4 | I941 V942 P943 G948 I949 I950 Q968 W971 L972 | I941-L946 HydrophobicContact CB-CD2 4.36Å; I941-L946 HydrophobicContact CG2-CD2 3.54Å; I941-L946 HydrophobicContact CG2-CG 3.83Å; V942-L946 PolarHBondContact O-N 2.86Å; V942-L946 VanDerWaalsContact O-N 3.15Å; P943-L946 PolarHBondContact O-N 3.24Å; L946-G948 PolarHBondContact O-N 3.22Å; L946-I949 HydrophobicContact CD2-CD1 4.48Å; L946-I949 PolarHBondContact O-N 3.16Å; L946-I949 VanDerWaalsContact O-N 3.15Å; L946-I950 WeakPolarHBondContact O-CG1 3.38Å; L946-I950 PolarHBondContact O-N 2.84Å; L946-Q968 HydrophobicContact CD1-CB 4.15Å; L946-Q968 HydrophobicContact CD1-CG 3.83Å; L946-W971 HydrophobicContact CB-CE3 3.81Å; L946-W971 HydrophobicContact CB-CH2 4.38Å; L946-W971 HydrophobicContact CB-CZ3 3.43Å; L946-W971 VanDerWaalsContact CB-CZ3 3.43Å; L946-W971 HydrophobicContact CD1-CE3 3.82Å; L946-W971 HydrophobicContact CD1-CZ3 3.87Å; L946-W971 HydrophobicContact CG-CE3 4.39Å; L946-W971 HydrophobicContact CG-CZ3 4.27Å; L946-L972 HydrophobicContact CB-CD2 4.36Å; L946-L972 HydrophobicContact CD2-CD1 3.71Å; L946-L972 HydrophobicContact CD2-CD2 3.82Å; L946-L972 HydrophobicContact CD2-CG 3.79Å |
| 947 | S | 86.3 | Confident | 87.2 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.6 | -35.9 | 171.1 | -64 | 0 | 0 | 0 | 0 | 112.7 | P943 K951 | P943-S947 PolarHBondContact O-N 2.75Å; P943-S947 PolarHBondContact O-OG 3.25Å; S947-K951 WeakPolarHBondContact O-CB 3.18Å; S947-K951 WeakPolarHBondContact O-CG 3.34Å; S947-K951 PolarHBondContact O-N 3.25Å |
| 948 | G | 86 | Confident | 87.5 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.8 | -33 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q944 A945 L946 R952 | Q944-G948 PolarHBondContact O-N 3.18Å; A945-G948 CarbonylContact O-C 3.45Å; A945-G948 WeakPolarHBondContact O-CA 3.22Å; A945-G948 PolarHBondContact O-N 2.69Å; L946-G948 PolarHBondContact O-N 3.22Å; G948-R952 VanDerWaalsContact O-CD 3.32Å; G948-R952 WeakPolarHBondContact O-CD 3.31Å; G948-R952 VanDerWaalsContact O-CG 3.29Å; G948-R952 WeakPolarHBondContact O-CG 3.42Å; G948-R952 PolarHBondContact O-NH1 3.38Å |
| 949 | I | 90.8 | Very high | 88 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.8 | -48.4 | 172.4 | -60.6 | 159.4 | 0 | 0 | 0 | 109.1 | I933 L935 A945 L946 K951 R952 Q953 P954 L957 L972 L976 | I933-I949 HydrophobicContact CD1-CG2 4.43Å; L935-I949 HydrophobicContact CD1-CD1 3.44Å; L935-I949 VanDerWaalsContact CD1-CD1 3.44Å; L935-I949 HydrophobicContact CD1-CG1 4.03Å; A945-I949 WeakPolarHBondContact O-CG1 3.38Å; A945-I949 PolarHBondContact O-N 3.39Å; L946-I949 HydrophobicContact CD2-CD1 4.48Å; L946-I949 PolarHBondContact O-N 3.16Å; L946-I949 VanDerWaalsContact O-N 3.15Å; I949-K951 VanDerWaalsContact C-N 3.32Å; I949-K951 PolarHBondContact O-N 2.65Å; I949-R952 PolarHBondContact O-N 3.18Å; I949-Q953 PolarHBondContact O-N 3.46Å; I949-Q953 VanDerWaalsContact O-N 3.08Å; I949-P954 HydrophobicContact CG2-CG 3.86Å; I949-P954 WeakPolarHBondContact O-CD 3.18Å; I949-L957 HydrophobicContact CG2-CD1 4.3Å; I949-L957 HydrophobicContact CG2-CD2 4.26Å; I949-L972 HydrophobicContact CB-CD2 4.1Å; I949-L972 HydrophobicContact CD1-CD1 4.4Å; I949-L972 HydrophobicContact CD1-CD2 4.07Å; I949-L972 HydrophobicContact CG2-CD2 4.09Å; I949-L976 HydrophobicContact CG2-CD1 4.01Å; I949-L976 HydrophobicContact CG2-CD2 4.45Å |
| 950 | I | 91.3 | Very high | 88.9 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -39.3 | -179.6 | -66.3 | 163.2 | 0 | 0 | 0 | 111.5 | L946 R952 Q953 W971 L972 R975 | L946-I950 WeakPolarHBondContact O-CG1 3.38Å; L946-I950 PolarHBondContact O-N 2.84Å; I950-R952 VanDerWaalsContact C-N 3.28Å; I950-R952 PolarHBondContact O-N 2.86Å; I950-Q953 PolarHBondContact O-NE2 3.42Å; I950-W971 HydrophobicContact CD1-CD2 4.26Å; I950-W971 HydrophobicContact CD1-CH2 4.45Å; I950-W971 HydrophobicContact CD1-CZ2 4.18Å; I950-L972 HydrophobicContact CD1-CD2 4.32Å; I950-L972 HydrophobicContact CG1-CD2 4.06Å; I950-R975 HydrophobicContact CD1-CB 4.13Å; I950-R975 HydrophobicContact CG1-CB 4.08Å; I950-R975 HydrophobicContact CG2-CB 4.07Å |
| 951 | K | 88.2 | Confident | 89.8 | Confident | 148 Ų | 148 | 43.6 Ų | 43.6 | 64% | 0.643 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.6 | -26 | 174.4 | -78.9 | -174.4 | 175.6 | -169.9 | 0 | 114.2 | S947 I949 | S947-K951 WeakPolarHBondContact O-CB 3.18Å; S947-K951 WeakPolarHBondContact O-CG 3.34Å; S947-K951 PolarHBondContact O-N 3.25Å; I949-K951 VanDerWaalsContact C-N 3.32Å; I949-K951 PolarHBondContact O-N 2.65Å |
| 952 | R | 89.7 | Confident | 90.1 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 13% | 0.132 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -96 | -16.1 | -174.9 | -72.8 | 171.6 | 175.9 | 89 | -5.1 | 114.2 | M914 K927 W930 I933 G948 I949 I950 | M914-R952 PolarHBondContact SD-NH2 2.99Å; K927-R952 WeakPolarHBondContact CA-O 3.39Å; W930-R952 HydrophobicContact CB-CB 3.88Å; W930-R952 HydrophobicContact CB-CG 4.38Å; W930-R952 HydrophobicContact CD2-CG 4.21Å; W930-R952 HydrophobicContact CG-CB 3.92Å; W930-R952 HydrophobicContact CG-CG 3.86Å; I933-R952 HydrophobicContact CD1-CB 4.16Å; G948-R952 VanDerWaalsContact O-CD 3.32Å; G948-R952 WeakPolarHBondContact O-CD 3.31Å; G948-R952 VanDerWaalsContact O-CG 3.29Å; G948-R952 WeakPolarHBondContact O-CG 3.42Å; G948-R952 PolarHBondContact O-NH1 3.38Å; I949-R952 PolarHBondContact O-N 3.18Å; I950-R952 VanDerWaalsContact C-N 3.28Å; I950-R952 PolarHBondContact O-N 2.86Å |
| 953 | Q | 92.3 | Very high | 90.4 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 27% | 0.271 | 24% | 0.239 | S | C | . | . | trans | 47.8 | 59.2 | 175.9 | -66.9 | -67.7 | -45.1 | 0 | 0 | 114.4 | K927 I949 I950 R975 | K927-Q953 HydrophobicContact CB-CB 4.33Å; I949-Q953 PolarHBondContact O-N 3.46Å; I949-Q953 VanDerWaalsContact O-N 3.08Å; I950-Q953 PolarHBondContact O-NE2 3.42Å; Q953-R975 PolarHBondContact NE2-O 3.47Å | ||
| 954 | P | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -62.6 | 148.1 | 177.1 | 29.1 | -39 | 0 | 0 | 0 | 113.2 | W930 I933 I949 L976 | W930-P954 WeakPolarHBondContact O-CA 3.38Å; W930-P954 WeakPolarHBondContact O-CB 3.39Å; I933-P954 HydrophobicContact CB-CB 4.2Å; I933-P954 HydrophobicContact CB-CG 4.46Å; I933-P954 HydrophobicContact CD1-CB 4.07Å; I933-P954 HydrophobicContact CD1-CG 3.98Å; I933-P954 HydrophobicContact CG1-CB 4.04Å; I933-P954 HydrophobicContact CG1-CG 4.4Å; I949-P954 HydrophobicContact CG2-CG 3.86Å; I949-P954 WeakPolarHBondContact O-CD 3.18Å; P954-L976 HydrophobicContact CG-CD2 4.37Å | ||
| 955 | V | 93.6 | Very high | 91.5 | Very high | 52 Ų | 52 | 37.7 Ų | 37.7 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -86.7 | -31.2 | 172 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | T931 K980 D981 | T931-V955 WeakPolarHBondContact O-CA 3.34Å; T931-V955 WeakPolarHBondContact O-CB 3.28Å; T931-V955 PolarHBondContact O-N 2.81Å; V955-K980 HydrophobicContact CG1-CB 3.98Å; V955-K980 HydrophobicContact CG1-CD 3.8Å; V955-K980 HydrophobicContact CG1-CG 3.99Å; V955-K980 PolarHBondContact O-N 2.82Å; V955-D981 PolarHBondContact O-N 3.49Å |
| 956 | S | 95.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.3 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | T931 K932 I933 D981 | T931-S956 PolarHBondContact O-N 3.46Å; K932-S956 CarbonylContact C-O 3.57Å; K932-S956 VanDerWaalsContact CA-O 3.27Å; K932-S956 WeakPolarHBondContact CA-O 3.49Å; I933-S956 PolarHBondContact N-O 3.47Å; S956-D981 CarbonylContact C-O 3.59Å; S956-D981 WeakPolarHBondContact CA-O 3.49Å |
| 957 | L | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 117.4 | -178.4 | -179.7 | 59.4 | 0 | 0 | 0 | 111 | I933 I949 L959 L972 L976 L979 D981 L983 | I933-L957 HydrophobicContact CB-CD1 3.96Å; I933-L957 HydrophobicContact CG2-CD1 3.68Å; I949-L957 HydrophobicContact CG2-CD1 4.3Å; I949-L957 HydrophobicContact CG2-CD2 4.26Å; L957-L959 HydrophobicContact CD1-CG 4.46Å; L957-L959 HydrophobicContact CD2-CD1 3.94Å; L957-L959 HydrophobicContact CD2-CG 4.32Å; L957-L959 HydrophobicContact CG-CD1 4.16Å; L957-L959 HydrophobicContact CG-CG 4.04Å; L957-L972 HydrophobicContact CD2-CD1 4.27Å; L957-L976 HydrophobicContact CD2-CD1 4.02Å; L957-L979 HydrophobicContact CB-CD1 3.66Å; L957-D981 PolarHBondContact N-O 3.15Å; L957-L983 PolarHBondContact O-N 3.46Å |
| 958 | D | 95.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.4 | 173.2 | -152.9 | -34.2 | 0 | 0 | 0 | 111.6 | I933 D934 L935 S960 L983 | I933-D958 PolarHBondContact O-N 2.97Å; D934-D958 HydrophobicContact CB-CB 4.33Å; L935-D958 PolarHBondContact N-O 3.47Å; D958-S960 WeakPolarHBondContact OD1-CB 3.2Å; D958-S960 PolarHBondContact OD1-N 3.36Å; D958-S960 PolarHBondContact OD1-OG 3.01Å; D958-L983 HydrophobicContact CB-CB 4.33Å; D958-L983 HydrophobicContact CB-CD1 4.05Å; D958-L983 WeakPolarHBondContact OD2-CD1 3.5Å |
| 959 | L | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -124.8 | 14.8 | 176.7 | -68.3 | 169.7 | 0 | 0 | 0 | 111 | L935 I941 L957 W961 T962 I964 L969 L972 L982 L983 L984 C987 | L935-L959 HydrophobicContact CB-CD2 4.31Å; L935-L959 HydrophobicContact CD1-CD2 4.34Å; I941-L959 HydrophobicContact CD1-CD2 3.57Å; L957-L959 HydrophobicContact CD1-CG 4.46Å; L957-L959 HydrophobicContact CD2-CD1 3.94Å; L957-L959 HydrophobicContact CD2-CG 4.32Å; L957-L959 HydrophobicContact CG-CD1 4.16Å; L957-L959 HydrophobicContact CG-CG 4.04Å; L959-W961 PolarHBondContact O-N 3.29Å; L959-T962 VanDerWaalsContact O-CB 3.3Å; L959-T962 WeakPolarHBondContact O-CB 3.25Å; L959-T962 VanDerWaalsContact O-CG2 3.24Å; L959-T962 WeakPolarHBondContact O-CG2 3.18Å; L959-T962 PolarHBondContact O-N 3.25Å; L959-T962 VanDerWaalsContact O-N 3.09Å; L959-T962 PolarHBondContact O-OG1 2.91Å; L959-I964 HydrophobicContact CD1-CD1 3.87Å; L959-I964 HydrophobicContact CD2-CD1 4.48Å; L959-L969 HydrophobicContact CD1-CD1 4.01Å; L959-L972 HydrophobicContact CD1-CD1 4.21Å; L959-L982 HydrophobicContact CD1-CD1 4.22Å; L959-L983 CarbonylContact C-O 3.59Å; L959-L983 WeakPolarHBondContact CA-O 3.31Å; L959-L983 PolarHBondContact N-O 3.16Å; L959-L984 HydrophobicContact CB-CD2 3.88Å; L959-L984 HydrophobicContact CD1-CD2 4.16Å; L959-C987 PolarHBondContact O-SG 3.47Å | ||
| 960 | S | 95.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 132.9 | -176.3 | -54 | 0 | 0 | 0 | 0 | 111.5 | S936 R937 D958 T962 L983 A985 | S936-S960 CarbonylContact C-O 3.36Å; S936-S960 WeakPolarHBondContact CA-O 3.39Å; S936-S960 WeakPolarHBondContact CB-O 3.4Å; R937-S960 PolarHBondContact N-O 3.27Å; D958-S960 WeakPolarHBondContact OD1-CB 3.2Å; D958-S960 PolarHBondContact OD1-N 3.36Å; D958-S960 PolarHBondContact OD1-OG 3.01Å; S960-T962 PolarHBondContact O-N 3.48Å; S960-L983 PolarHBondContact N-O 3Å; S960-A985 CarbonylContact C-O 3.45Å; S960-A985 VanDerWaalsContact CA-O 3.23Å; S960-A985 WeakPolarHBondContact CA-O 3.24Å; S960-A985 WeakPolarHBondContact CB-O 3.2Å; S960-A985 PolarHBondContact OG-N 2.6Å |
| 961 | W | 94.1 | Very high | 92.7 | Very high | 130 Ų | 130 | 52.2 Ų | 52.2 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.7 | -177.6 | -49.5 | 90.5 | 0 | 0 | 0 | 114.1 | R937 L959 A985 W1010 | R937-W961 HydrophobicContact CG-CB 3.83Å; R937-W961 HydrophobicContact CG-CG 4.44Å; L959-W961 PolarHBondContact O-N 3.29Å; W961-A985 PolarHBondContact N-O 2.89Å; W961-W1010 HydrophobicContact CH2-CB 3.83Å; W961-W1010 HydrophobicContact CZ2-CB 4.03Å |
| 962 | T | 92 | Very high | 92.9 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | trans | -90 | 146.5 | 171.5 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | L935 C938 L959 S960 I964 | L935-T962 WeakPolarHBondContact O-CG2 3.04Å; C938-T962 HydrophobicContact CB-CG2 3.95Å; L959-T962 VanDerWaalsContact O-CB 3.3Å; L959-T962 WeakPolarHBondContact O-CB 3.25Å; L959-T962 VanDerWaalsContact O-CG2 3.24Å; L959-T962 WeakPolarHBondContact O-CG2 3.18Å; L959-T962 PolarHBondContact O-N 3.25Å; L959-T962 VanDerWaalsContact O-N 3.09Å; L959-T962 PolarHBondContact O-OG1 2.91Å; S960-T962 PolarHBondContact O-N 3.48Å; T962-I964 PolarHBondContact O-N 3.17Å; T962-I964 VanDerWaalsContact O-N 3.14Å | ||
| 963 | N | 88.6 | Confident | 92.9 | Very high | 124 Ų | 124 | 43.7 Ų | 43.7 | 66% | 0.663 | 21% | 0.211 | S | C | * | . | trans | -83.5 | 82.5 | 168.5 | -172 | 13.6 | 0 | 0 | 0 | 109.8 | ||||
| 964 | I | 92.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -109.4 | 134 | 176 | -170.2 | 172.7 | 0 | 0 | 0 | 110.3 | I941 L959 T962 Q968 L969 L972 A991 | I941-I964 HydrophobicContact CD1-CB 4.09Å; I941-I964 HydrophobicContact CD1-CD1 4.07Å; I941-I964 HydrophobicContact CD1-CG1 4.24Å; L959-I964 HydrophobicContact CD1-CD1 3.87Å; L959-I964 HydrophobicContact CD2-CD1 4.48Å; T962-I964 PolarHBondContact O-N 3.17Å; T962-I964 VanDerWaalsContact O-N 3.14Å; I964-Q968 HydrophobicContact CD1-CB 4.2Å; I964-Q968 HydrophobicContact CG1-CB 3.68Å; I964-L969 HydrophobicContact CD1-CB 3.9Å; I964-L969 HydrophobicContact CD1-CD1 4.16Å; I964-L969 HydrophobicContact CG1-CB 4.32Å; I964-L972 HydrophobicContact CD1-CD1 4.06Å; I964-A991 HydrophobicContact CG2-CB 4.16Å; I964-A991 VanDerWaalsContact O-CB 3.25Å; I964-A991 WeakPolarHBondContact O-CB 3.37Å | ||
| 965 | S | 92.1 | Very high | 92.7 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | trans | -88.9 | 159.4 | 175.9 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | K967 Q968 L969 | S965-K967 PolarHBondContact O-N 2.8Å; S965-Q968 PolarHBondContact O-N 3.01Å; S965-Q968 WeakPolarHBondContact OG-CG 3.1Å; S965-Q968 PolarHBondContact OG-OE1 3.1Å; S965-L969 PolarHBondContact O-N 3.27Å | ||
| 966 | K | 92.1 | Very high | 92.6 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -46 | -48.1 | 174.4 | -165.4 | 170.2 | -178.4 | 149.7 | 0 | 112.5 | Q968 L969 T970 S990 S993 A994 | K966-Q968 PolarHBondContact O-N 3.16Å; K966-L969 PolarHBondContact O-N 3.32Å; K966-T970 WeakPolarHBondContact O-CB 3.45Å; K966-T970 PolarHBondContact O-N 3.36Å; K966-T970 PolarHBondContact O-OG1 2.83Å; K966-T970 VanDerWaalsContact O-OG1 3.08Å; K966-S990 VanDerWaalsContact CB-O 3.28Å; K966-S990 WeakPolarHBondContact CB-O 3.27Å; K966-S990 WeakPolarHBondContact CG-O 3.11Å; K966-S993 WeakPolarHBondContact CD-OG 3.44Å; K966-S993 WeakPolarHBondContact CE-O 3.38Å; K966-S993 WeakPolarHBondContact CE-OG 3.28Å; K966-S993 PolarHBondContact NZ-O 3.28Å; K966-S993 PolarHBondContact NZ-OG 3.42Å; K966-A994 HydrophobicContact CG-CB 4.11Å |
| 967 | K | 90.4 | Very high | 92.3 | Very high | 181 Ų | 181 | 53.2 Ų | 53.2 | 79% | 0.787 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | -179.1 | -65.6 | -176.6 | 179.4 | 179.9 | 0 | 112.7 | S965 W971 | S965-K967 PolarHBondContact O-N 2.8Å; K967-W971 VanDerWaalsContact O-CB 3.31Å; K967-W971 WeakPolarHBondContact O-CB 3.49Å; K967-W971 PolarHBondContact O-N 2.7Å |
| 968 | Q | 92.1 | Very high | 91.9 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.5 | -41.2 | 177.4 | -69.5 | 161.7 | -66.9 | 0 | 0 | 111.5 | I941 L946 I964 S965 K966 W971 L972 | I941-Q968 PolarHBondContact O-NE2 3.14Å; L946-Q968 HydrophobicContact CD1-CB 4.15Å; L946-Q968 HydrophobicContact CD1-CG 3.83Å; I964-Q968 HydrophobicContact CD1-CB 4.2Å; I964-Q968 HydrophobicContact CG1-CB 3.68Å; S965-Q968 PolarHBondContact O-N 3.01Å; S965-Q968 WeakPolarHBondContact OG-CG 3.1Å; S965-Q968 PolarHBondContact OG-OE1 3.1Å; K966-Q968 PolarHBondContact O-N 3.16Å; Q968-W971 PolarHBondContact O-N 3.36Å; Q968-L972 PolarHBondContact O-N 3.37Å; Q968-L972 VanDerWaalsContact O-N 3.11Å |
| 969 | L | 92.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -46 | 177.5 | -173.3 | 56.7 | 0 | 0 | 0 | 111.1 | L959 I964 S965 K966 W971 L972 V973 L984 A994 | L959-L969 HydrophobicContact CD1-CD1 4.01Å; I964-L969 HydrophobicContact CD1-CB 3.9Å; I964-L969 HydrophobicContact CD1-CD1 4.16Å; I964-L969 HydrophobicContact CG1-CB 4.32Å; S965-L969 PolarHBondContact O-N 3.27Å; K966-L969 PolarHBondContact O-N 3.32Å; L969-W971 VanDerWaalsContact C-N 3.28Å; L969-W971 PolarHBondContact O-N 3.44Å; L969-L972 PolarHBondContact O-N 3.14Å; L969-V973 HydrophobicContact CD1-CG2 3.9Å; L969-V973 HydrophobicContact CG-CG2 4.02Å; L969-V973 VanDerWaalsContact O-CB 3.27Å; L969-V973 WeakPolarHBondContact O-CB 3.27Å; L969-V973 WeakPolarHBondContact O-CG2 3.37Å; L969-V973 PolarHBondContact O-N 3.05Å; L969-L984 HydrophobicContact CD1-CD2 4.41Å; L969-L984 HydrophobicContact CD2-CD1 3.93Å; L969-L984 HydrophobicContact CD2-CD2 4.05Å; L969-A994 HydrophobicContact CB-CB 3.98Å; L969-A994 HydrophobicContact CD2-CB 4.12Å; L969-A994 HydrophobicContact CG-CB 3.99Å |
| 970 | T | 92.1 | Very high | 91.8 | Very high | 33 Ų | 33 | 58.1 Ų | 58.1 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.6 | -43 | 170.8 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | K966 L972 V973 N974 A994 | K966-T970 WeakPolarHBondContact O-CB 3.45Å; K966-T970 PolarHBondContact O-N 3.36Å; K966-T970 PolarHBondContact O-OG1 2.83Å; K966-T970 VanDerWaalsContact O-OG1 3.08Å; T970-L972 VanDerWaalsContact C-N 3.32Å; T970-L972 PolarHBondContact O-N 3.38Å; T970-V973 PolarHBondContact O-N 3.41Å; T970-N974 WeakPolarHBondContact CG2-OD1 3.17Å; T970-N974 VanDerWaalsContact O-CB 3.29Å; T970-N974 WeakPolarHBondContact O-CB 3.28Å; T970-N974 PolarHBondContact O-N 3.45Å; T970-N974 PolarHBondContact O-OD1 3.1Å; T970-A994 VanDerWaalsContact OG1-CB 3.3Å; T970-A994 WeakPolarHBondContact OG1-CB 3.28Å |
| 971 | W | 90.6 | Very high | 91.8 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 35% | 0.345 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.5 | -30.5 | -179.4 | -170.3 | 47.1 | 0 | 0 | 0 | 114 | L946 I950 K967 Q968 L969 R975 | L946-W971 HydrophobicContact CB-CE3 3.81Å; L946-W971 HydrophobicContact CB-CH2 4.38Å; L946-W971 HydrophobicContact CB-CZ3 3.43Å; L946-W971 VanDerWaalsContact CB-CZ3 3.43Å; L946-W971 HydrophobicContact CD1-CE3 3.82Å; L946-W971 HydrophobicContact CD1-CZ3 3.87Å; L946-W971 HydrophobicContact CG-CE3 4.39Å; L946-W971 HydrophobicContact CG-CZ3 4.27Å; I950-W971 HydrophobicContact CD1-CD2 4.26Å; I950-W971 HydrophobicContact CD1-CH2 4.45Å; I950-W971 HydrophobicContact CD1-CZ2 4.18Å; K967-W971 VanDerWaalsContact O-CB 3.31Å; K967-W971 WeakPolarHBondContact O-CB 3.49Å; K967-W971 PolarHBondContact O-N 2.7Å; Q968-W971 PolarHBondContact O-N 3.36Å; L969-W971 VanDerWaalsContact C-N 3.28Å; L969-W971 PolarHBondContact O-N 3.44Å; W971-R975 VanDerWaalsContact NE1-NE 3.17Å; W971-R975 WeakPolarHBondContact O-CB 3.28Å; W971-R975 WeakPolarHBondContact O-CG 3.33Å |
| 972 | L | 92.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.9 | -52.7 | 170.2 | -69.2 | 174 | 0 | 0 | 0 | 111.7 | L946 I949 I950 L957 L959 I964 Q968 L969 T970 N974 R975 L976 | L946-L972 HydrophobicContact CB-CD2 4.36Å; L946-L972 HydrophobicContact CD2-CD1 3.71Å; L946-L972 HydrophobicContact CD2-CD2 3.82Å; L946-L972 HydrophobicContact CD2-CG 3.79Å; I949-L972 HydrophobicContact CB-CD2 4.1Å; I949-L972 HydrophobicContact CD1-CD1 4.4Å; I949-L972 HydrophobicContact CD1-CD2 4.07Å; I949-L972 HydrophobicContact CG2-CD2 4.09Å; I950-L972 HydrophobicContact CD1-CD2 4.32Å; I950-L972 HydrophobicContact CG1-CD2 4.06Å; L957-L972 HydrophobicContact CD2-CD1 4.27Å; L959-L972 HydrophobicContact CD1-CD1 4.21Å; I964-L972 HydrophobicContact CD1-CD1 4.06Å; Q968-L972 PolarHBondContact O-N 3.37Å; Q968-L972 VanDerWaalsContact O-N 3.11Å; L969-L972 PolarHBondContact O-N 3.14Å; T970-L972 VanDerWaalsContact C-N 3.32Å; T970-L972 PolarHBondContact O-N 3.38Å; L972-N974 VanDerWaalsContact C-N 3.34Å; L972-N974 PolarHBondContact O-N 3.3Å; L972-R975 CarbonylContact O-C 3.47Å; L972-R975 WeakPolarHBondContact O-CA 3.41Å; L972-R975 PolarHBondContact O-N 3.38Å; L972-L976 HydrophobicContact CB-CD1 4.11Å; L972-L976 HydrophobicContact CD2-CD1 4.4Å; L972-L976 WeakPolarHBondContact O-CB 3.45Å; L972-L976 VanDerWaalsContact O-CG 3.28Å; L972-L976 WeakPolarHBondContact O-CG 3.5Å; L972-L976 PolarHBondContact O-N 2.91Å |
| 973 | V | 91 | Very high | 92.2 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -53.7 | -48.8 | -177.3 | 164 | 0 | 0 | 0 | 0 | 110.9 | L969 T970 R975 L995 | L969-V973 HydrophobicContact CD1-CG2 3.9Å; L969-V973 HydrophobicContact CG-CG2 4.02Å; L969-V973 VanDerWaalsContact O-CB 3.27Å; L969-V973 WeakPolarHBondContact O-CB 3.27Å; L969-V973 WeakPolarHBondContact O-CG2 3.37Å; L969-V973 PolarHBondContact O-N 3.05Å; T970-V973 PolarHBondContact O-N 3.41Å; V973-R975 PolarHBondContact O-N 3.48Å; V973-R975 VanDerWaalsContact O-N 3.09Å; V973-L995 HydrophobicContact CG1-CD2 4.42Å; V973-L995 HydrophobicContact CG2-CD2 3.76Å |
| 974 | N | 89.4 | Confident | 92.6 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.1 | 178.6 | -64.2 | 34.4 | 0 | 0 | 0 | 114.2 | T970 L972 S999 | T970-N974 WeakPolarHBondContact CG2-OD1 3.17Å; T970-N974 VanDerWaalsContact O-CB 3.29Å; T970-N974 WeakPolarHBondContact O-CB 3.28Å; T970-N974 PolarHBondContact O-N 3.45Å; T970-N974 PolarHBondContact O-OD1 3.1Å; L972-N974 VanDerWaalsContact C-N 3.34Å; L972-N974 PolarHBondContact O-N 3.3Å; N974-S999 WeakPolarHBondContact ND2-CB 3.44Å; N974-S999 PolarHBondContact ND2-OG 3.38Å; N974-S999 VanDerWaalsContact OD1-CB 3.31Å; N974-S999 WeakPolarHBondContact OD1-CB 3.3Å |
| 975 | R | 91.9 | Very high | 92.8 | Very high | 139 Ų | 139 | 47.9 Ų | 47.9 | 53% | 0.525 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | 11.2 | -173.9 | -63.9 | -175.4 | 176.9 | -112 | -0.9 | 113.8 | I950 Q953 W971 L972 V973 P977 | I950-R975 HydrophobicContact CD1-CB 4.13Å; I950-R975 HydrophobicContact CG1-CB 4.08Å; I950-R975 HydrophobicContact CG2-CB 4.07Å; Q953-R975 PolarHBondContact NE2-O 3.47Å; W971-R975 VanDerWaalsContact NE1-NE 3.17Å; W971-R975 WeakPolarHBondContact O-CB 3.28Å; W971-R975 WeakPolarHBondContact O-CG 3.33Å; L972-R975 CarbonylContact O-C 3.47Å; L972-R975 WeakPolarHBondContact O-CA 3.41Å; L972-R975 PolarHBondContact O-N 3.38Å; V973-R975 PolarHBondContact O-N 3.48Å; V973-R975 VanDerWaalsContact O-N 3.09Å; R975-P977 VanDerWaalsContact C-CD 3.46Å |
| 976 | L | 91.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -127.1 | 63.6 | 177 | -66 | 175 | 0 | 0 | 0 | 110.8 | I949 P954 L957 L972 G978 L979 | I949-L976 HydrophobicContact CG2-CD1 4.01Å; I949-L976 HydrophobicContact CG2-CD2 4.45Å; P954-L976 HydrophobicContact CG-CD2 4.37Å; L957-L976 HydrophobicContact CD2-CD1 4.02Å; L972-L976 HydrophobicContact CB-CD1 4.11Å; L972-L976 HydrophobicContact CD2-CD1 4.4Å; L972-L976 WeakPolarHBondContact O-CB 3.45Å; L972-L976 VanDerWaalsContact O-CG 3.28Å; L972-L976 WeakPolarHBondContact O-CG 3.5Å; L972-L976 PolarHBondContact O-N 2.91Å; L976-G978 PolarHBondContact O-N 2.75Å; L976-G978 VanDerWaalsContact O-N 3.12Å; L976-L979 HydrophobicContact CB-CB 4.03Å; L976-L979 VanDerWaalsContact O-CB 3.22Å; L976-L979 WeakPolarHBondContact O-CB 3.25Å; L976-L979 PolarHBondContact O-N 3.29Å | ||
| 977 | P | 88.1 | Confident | 93 | Very high | 112 Ų | 112 | 42.1 Ų | 42.1 | 73% | 0.727 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.2 | -177.4 | 27.4 | -36.5 | 0 | 0 | 0 | 113.8 | R975 | R975-P977 VanDerWaalsContact C-CD 3.46Š|
| 978 | G | 89.1 | Confident | 93.2 | Very high | 34 Ų | 34 | 36 Ų | 36 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L976 | L976-G978 PolarHBondContact O-N 2.75Å; L976-G978 VanDerWaalsContact O-N 3.12Å |
| 979 | L | 94 | Very high | 93.2 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -70 | 129.1 | -177.2 | -172.4 | 70.5 | 0 | 0 | 0 | 111.1 | L957 L976 L982 P1001 L1003 | L957-L979 HydrophobicContact CB-CD1 3.66Å; L976-L979 HydrophobicContact CB-CB 4.03Å; L976-L979 VanDerWaalsContact O-CB 3.22Å; L976-L979 WeakPolarHBondContact O-CB 3.25Å; L976-L979 PolarHBondContact O-N 3.29Å; L979-L982 HydrophobicContact CD2-CB 4.33Å; L979-L982 HydrophobicContact CD2-CD1 4.39Å; L979-L982 HydrophobicContact CD2-CD2 4.38Å; L979-P1001 HydrophobicContact CB-CG 4.3Å; L979-P1001 HydrophobicContact CD2-CG 4.45Å; L979-L1003 HydrophobicContact CD2-CD2 4.11Å; L979-L1003 HydrophobicContact CG-CD2 3.93Å | ||
| 980 | K | 94.1 | Very high | 93.2 | Very high | 83 Ų | 83 | 39.8 Ų | 39.8 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | trans | -120.7 | -33.9 | 179.6 | -64.2 | 177.4 | -171.6 | 173.2 | 0 | 112.4 | V955 L1003 R1004 T1005 | V955-K980 HydrophobicContact CG1-CB 3.98Å; V955-K980 HydrophobicContact CG1-CD 3.8Å; V955-K980 HydrophobicContact CG1-CG 3.99Å; V955-K980 PolarHBondContact O-N 2.82Å; K980-L1003 CarbonylContact O-C 3.35Å; K980-L1003 WeakPolarHBondContact O-CA 3.23Å; K980-R1004 HydrophobicContact CB-CG 4.41Å; K980-R1004 PolarHBondContact O-N 3.34Å; K980-T1005 PolarHBondContact O-N 3.11Å; K980-T1005 VanDerWaalsContact O-N 3.09Å | ||
| 981 | D | 96.5 | Very high | 93.2 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.1 | -178.2 | -44.5 | -54.3 | 0 | 0 | 0 | 110.2 | V955 S956 L957 T1005 | V955-D981 PolarHBondContact O-N 3.49Å; S956-D981 CarbonylContact C-O 3.59Å; S956-D981 WeakPolarHBondContact CA-O 3.49Å; L957-D981 PolarHBondContact N-O 3.15Å; D981-T1005 WeakPolarHBondContact OD1-CB 3.27Å; D981-T1005 PolarHBondContact OD1-OG1 3.21Å |
| 982 | L | 96.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 118.5 | -178.5 | 179.1 | 55.3 | 0 | 0 | 0 | 110.2 | L959 L979 L984 L995 L1003 T1005 L1006 D1007 | L959-L982 HydrophobicContact CD1-CD1 4.22Å; L979-L982 HydrophobicContact CD2-CB 4.33Å; L979-L982 HydrophobicContact CD2-CD1 4.39Å; L979-L982 HydrophobicContact CD2-CD2 4.38Å; L982-L984 HydrophobicContact CD1-CD1 4.31Å; L982-L984 HydrophobicContact CD1-CD2 4.41Å; L982-L984 HydrophobicContact CD1-CG 4.13Å; L982-L984 HydrophobicContact CD2-CD1 3.86Å; L982-L984 HydrophobicContact CG-CD1 3.81Å; L982-L984 HydrophobicContact CG-CG 4.02Å; L982-L995 HydrophobicContact CD2-CD1 4.2Å; L982-L995 HydrophobicContact CD2-CD2 3.77Å; L982-L1003 HydrophobicContact CB-CD1 4.01Å; L982-L1003 HydrophobicContact CB-CD2 3.92Å; L982-L1003 HydrophobicContact CD2-CD1 4.04Å; L982-T1005 PolarHBondContact N-O 2.91Å; L982-L1006 HydrophobicContact CB-CD1 4.4Å; L982-L1006 HydrophobicContact CG-CD1 4.43Å; L982-L1006 WeakPolarHBondContact O-CA 3.48Å; L982-D1007 PolarHBondContact O-N 3.14Å; L982-D1007 VanDerWaalsContact O-N 3.13Å |
| 983 | L | 97.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 34.5 Ų | 34.5 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.8 | -176.7 | -44.6 | 171 | 0 | 0 | 0 | 109.5 | L957 D958 L959 S960 T1005 D1007 | L957-L983 PolarHBondContact O-N 3.46Å; D958-L983 HydrophobicContact CB-CB 4.33Å; D958-L983 HydrophobicContact CB-CD1 4.05Å; D958-L983 WeakPolarHBondContact OD2-CD1 3.5Å; L959-L983 CarbonylContact C-O 3.59Å; L959-L983 WeakPolarHBondContact CA-O 3.31Å; L959-L983 PolarHBondContact N-O 3.16Å; S960-L983 PolarHBondContact N-O 3Å; L983-T1005 HydrophobicContact CD2-CG2 4.28Å; L983-D1007 HydrophobicContact CB-CB 4.17Å; L983-D1007 HydrophobicContact CD2-CB 3.38Å; L983-D1007 HydrophobicContact CG-CB 4.38Å |
| 984 | L | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -132.4 | 25.3 | -171.7 | -69.7 | 165.8 | 0 | 0 | 0 | 111.1 | L959 L969 L982 G986 C987 V992 L995 L1006 D1007 L1008 | L959-L984 HydrophobicContact CB-CD2 3.88Å; L959-L984 HydrophobicContact CD1-CD2 4.16Å; L969-L984 HydrophobicContact CD1-CD2 4.41Å; L969-L984 HydrophobicContact CD2-CD1 3.93Å; L969-L984 HydrophobicContact CD2-CD2 4.05Å; L982-L984 HydrophobicContact CD1-CD1 4.31Å; L982-L984 HydrophobicContact CD1-CD2 4.41Å; L982-L984 HydrophobicContact CD1-CG 4.13Å; L982-L984 HydrophobicContact CD2-CD1 3.86Å; L982-L984 HydrophobicContact CG-CD1 3.81Å; L982-L984 HydrophobicContact CG-CG 4.02Å; L984-G986 PolarHBondContact O-N 3.01Å; L984-C987 HydrophobicContact CB-CB 4.32Å; L984-C987 VanDerWaalsContact O-CB 3.28Å; L984-C987 WeakPolarHBondContact O-CB 3.34Å; L984-C987 PolarHBondContact O-N 3.48Å; L984-V992 HydrophobicContact CB-CG2 4.49Å; L984-V992 HydrophobicContact CD1-CG2 4.35Å; L984-L995 HydrophobicContact CD1-CD1 4.02Å; L984-L1006 HydrophobicContact CD1-CD1 4.33Å; L984-D1007 CarbonylContact C-O 3.52Å; L984-D1007 WeakPolarHBondContact CA-O 3.34Å; L984-D1007 PolarHBondContact N-O 3.46Å; L984-L1008 HydrophobicContact CB-CD2 4.14Å; L984-L1008 HydrophobicContact CD1-CD2 4.46Å | ||
| 985 | A | 96.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 131 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S960 W961 C987 D1007 R1009 | S960-A985 CarbonylContact C-O 3.45Å; S960-A985 VanDerWaalsContact CA-O 3.23Å; S960-A985 WeakPolarHBondContact CA-O 3.24Å; S960-A985 WeakPolarHBondContact CB-O 3.2Å; S960-A985 PolarHBondContact OG-N 2.6Å; W961-A985 PolarHBondContact N-O 2.89Å; A985-C987 VanDerWaalsContact C-N 3.25Å; A985-C987 PolarHBondContact O-N 3.47Å; A985-D1007 PolarHBondContact N-O 3.39Å; A985-R1009 CarbonylContact C-O 3.55Å; A985-R1009 WeakPolarHBondContact CA-O 3.34Å; A985-R1009 HydrophobicContact CB-CB 4.15Å; A985-R1009 VanDerWaalsContact CB-O 3.24Å; A985-R1009 WeakPolarHBondContact CB-O 3.28Å |
| 986 | G | 94.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 13% | 0.134 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 0.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | L984 R1009 W1010 | L984-G986 PolarHBondContact O-N 3.01Å; G986-R1009 PolarHBondContact N-O 3.12Å; G986-W1010 WeakPolarHBondContact CA-O 3.44Å |
| 987 | C | 94.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | trans | -74.2 | 163.4 | 170.4 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | L959 L984 A985 V992 A1011 V1012 | L959-C987 PolarHBondContact O-SG 3.47Å; L984-C987 HydrophobicContact CB-CB 4.32Å; L984-C987 VanDerWaalsContact O-CB 3.28Å; L984-C987 WeakPolarHBondContact O-CB 3.34Å; L984-C987 PolarHBondContact O-N 3.48Å; A985-C987 VanDerWaalsContact C-N 3.25Å; A985-C987 PolarHBondContact O-N 3.47Å; C987-V992 HydrophobicContact CB-CG2 4.48Å; C987-A1011 CarbonylContact O-C 3.39Å; C987-A1011 WeakPolarHBondContact O-CA 3.46Å; C987-A1011 VanDerWaalsContact O-CB 3.27Å; C987-A1011 WeakPolarHBondContact O-CB 3.48Å; C987-V1012 PolarHBondContact O-N 3.26Å | ||
| 988 | S | 94.2 | Very high | 91.2 | Very high | 52 Ų | 52 | 27.4 Ų | 27.4 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | B | Isolated β-bridge | trans | -89.5 | 152.8 | 179.2 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | S990 A991 V992 V1012 | S988-S990 PolarHBondContact O-N 2.96Å; S988-A991 WeakPolarHBondContact O-CB 3.38Å; S988-A991 PolarHBondContact O-N 3Å; S988-V992 PolarHBondContact O-N 2.76Å; S988-V992 VanDerWaalsContact O-N 3.08Å; S988-V1012 CarbonylContact C-O 3.56Å; S988-V1012 WeakPolarHBondContact CA-O 3.33Å |
| 989 | W | 93.8 | Very high | 90.5 | Very high | 51 Ų | 51 | 28.3 Ų | 28.3 | 19% | 0.193 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.9 | -34.8 | 173.9 | 173.5 | -119.7 | 0 | 0 | 0 | 113.1 | A991 V992 S993 V1012 G1013 I1014 Q1018 D1021 L1022 | W989-A991 PolarHBondContact O-N 2.95Å; W989-V992 HydrophobicContact CE3-CB 3.98Å; W989-V992 HydrophobicContact CE3-CG1 4.07Å; W989-V992 HydrophobicContact CZ3-CB 4.36Å; W989-V992 HydrophobicContact CZ3-CG1 4.02Å; W989-V992 PolarHBondContact O-N 2.83Å; W989-V992 VanDerWaalsContact O-N 3.16Å; W989-S993 VanDerWaalsContact O-CB 3.28Å; W989-S993 WeakPolarHBondContact O-CB 3.45Å; W989-S993 PolarHBondContact O-N 3.31Å; W989-S993 PolarHBondContact O-OG 2.86Å; W989-V1012 PolarHBondContact N-O 3.14Å; W989-G1013 WeakPolarHBondContact CB-O 3.21Å; W989-I1014 HydrophobicContact CB-CG1 3.99Å; W989-I1014 HydrophobicContact CE3-CD1 4.1Å; W989-I1014 HydrophobicContact CE3-CG1 3.99Å; W989-Q1018 HydrophobicContact CD2-CB 3.74Å; W989-Q1018 HydrophobicContact CD2-CG 3.61Å; W989-Q1018 HydrophobicContact CE3-CB 3.89Å; W989-Q1018 HydrophobicContact CE3-CG 4.28Å; W989-Q1018 HydrophobicContact CG-CB 4.35Å; W989-Q1018 HydrophobicContact CG-CG 3.77Å; W989-Q1018 HydrophobicContact CH2-CB 3.98Å; W989-Q1018 WeakPolarHBondContact CH2-O 3.4Å; W989-Q1018 HydrophobicContact CZ2-CB 3.84Å; W989-Q1018 HydrophobicContact CZ2-CG 3.91Å; W989-Q1018 HydrophobicContact CZ3-CB 4.01Å; W989-D1021 HydrophobicContact CH2-CB 4.45Å; W989-D1021 HydrophobicContact CZ2-CB 4.24Å; W989-L1022 HydrophobicContact CH2-CB 4.35Å; W989-L1022 HydrophobicContact CZ3-CB 4.48Å |
| 990 | S | 91.4 | Very high | 89.9 | Confident | 78 Ų | 78 | 28.9 Ų | 28.9 | 55% | 0.545 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -51.2 | -45.1 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | K966 S988 S993 | K966-S990 VanDerWaalsContact CB-O 3.28Å; K966-S990 WeakPolarHBondContact CB-O 3.27Å; K966-S990 WeakPolarHBondContact CG-O 3.11Å; S988-S990 PolarHBondContact O-N 2.96Å; S990-S993 PolarHBondContact O-OG 3.39Å |
| 991 | A | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.7 | -54.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I964 S988 W989 S993 A994 | I964-A991 HydrophobicContact CG2-CB 4.16Å; I964-A991 VanDerWaalsContact O-CB 3.25Å; I964-A991 WeakPolarHBondContact O-CB 3.37Å; S988-A991 WeakPolarHBondContact O-CB 3.38Å; S988-A991 PolarHBondContact O-N 3Å; W989-A991 PolarHBondContact O-N 2.95Å; A991-S993 PolarHBondContact O-N 2.7Å; A991-A994 WeakPolarHBondContact O-CB 3.43Å; A991-A994 PolarHBondContact O-N 2.91Å |
| 992 | V | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -31.6 | -172.6 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | L984 C987 S988 W989 A994 L995 L1008 I1014 | L984-V992 HydrophobicContact CB-CG2 4.49Å; L984-V992 HydrophobicContact CD1-CG2 4.35Å; C987-V992 HydrophobicContact CB-CG2 4.48Å; S988-V992 PolarHBondContact O-N 2.76Å; S988-V992 VanDerWaalsContact O-N 3.08Å; W989-V992 HydrophobicContact CE3-CB 3.98Å; W989-V992 HydrophobicContact CE3-CG1 4.07Å; W989-V992 HydrophobicContact CZ3-CB 4.36Å; W989-V992 HydrophobicContact CZ3-CG1 4.02Å; W989-V992 PolarHBondContact O-N 2.83Å; W989-V992 VanDerWaalsContact O-N 3.16Å; V992-A994 PolarHBondContact O-N 3.14Å; V992-L995 HydrophobicContact CG1-CD1 4.28Å; V992-L995 WeakPolarHBondContact O-CB 3.33Å; V992-L995 WeakPolarHBondContact O-CG 3.2Å; V992-L995 PolarHBondContact O-N 3.48Å; V992-L1008 HydrophobicContact CG1-CD1 4.47Å; V992-L1008 HydrophobicContact CG1-CD2 3.78Å; V992-L1008 HydrophobicContact CG2-CD2 4.13Å; V992-I1014 HydrophobicContact CB-CD1 4.19Å; V992-I1014 HydrophobicContact CG1-CD1 4.02Å; V992-I1014 HydrophobicContact CG2-CD1 4.14Å |
| 993 | S | 92.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -1.2 | 173.9 | 73.8 | 0 | 0 | 0 | 0 | 115 | K966 W989 S990 A991 L995 | K966-S993 WeakPolarHBondContact CD-OG 3.44Å; K966-S993 WeakPolarHBondContact CE-O 3.38Å; K966-S993 WeakPolarHBondContact CE-OG 3.28Å; K966-S993 PolarHBondContact NZ-O 3.28Å; K966-S993 PolarHBondContact NZ-OG 3.42Å; W989-S993 VanDerWaalsContact O-CB 3.28Å; W989-S993 WeakPolarHBondContact O-CB 3.45Å; W989-S993 PolarHBondContact O-N 3.31Å; W989-S993 PolarHBondContact O-OG 2.86Å; S990-S993 PolarHBondContact O-OG 3.39Å; A991-S993 PolarHBondContact O-N 2.7Å; S993-L995 VanDerWaalsContact C-N 3.28Å |
| 994 | A | 90 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K966 L969 T970 A991 V992 S996 T997 | K966-A994 HydrophobicContact CG-CB 4.11Å; L969-A994 HydrophobicContact CB-CB 3.98Å; L969-A994 HydrophobicContact CD2-CB 4.12Å; L969-A994 HydrophobicContact CG-CB 3.99Å; T970-A994 VanDerWaalsContact OG1-CB 3.3Å; T970-A994 WeakPolarHBondContact OG1-CB 3.28Å; A991-A994 WeakPolarHBondContact O-CB 3.43Å; A991-A994 PolarHBondContact O-N 2.91Å; V992-A994 PolarHBondContact O-N 3.14Å; A994-S996 VanDerWaalsContact C-N 3.3Å; A994-S996 PolarHBondContact O-N 2.96Å; A994-T997 WeakPolarHBondContact O-CB 3.43Å; A994-T997 WeakPolarHBondContact O-CG2 3.47Å; A994-T997 PolarHBondContact O-N 3.06Å; A994-T997 PolarHBondContact O-OG1 2.79Å |
| 995 | L | 89.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20.1 | -176 | -59.7 | 179.7 | 0 | 0 | 0 | 113.4 | V973 L982 L984 V992 S993 T997 C1000 L1006 L1022 | V973-L995 HydrophobicContact CG1-CD2 4.42Å; V973-L995 HydrophobicContact CG2-CD2 3.76Å; L982-L995 HydrophobicContact CD2-CD1 4.2Å; L982-L995 HydrophobicContact CD2-CD2 3.77Å; L984-L995 HydrophobicContact CD1-CD1 4.02Å; V992-L995 HydrophobicContact CG1-CD1 4.28Å; V992-L995 WeakPolarHBondContact O-CB 3.33Å; V992-L995 WeakPolarHBondContact O-CG 3.2Å; V992-L995 PolarHBondContact O-N 3.48Å; S993-L995 VanDerWaalsContact C-N 3.28Å; L995-T997 PolarHBondContact O-N 3.39Å; L995-C1000 WeakPolarHBondContact O-CB 3.24Å; L995-C1000 PolarHBondContact O-SG 3.22Å; L995-L1006 HydrophobicContact CD1-CD1 4.01Å; L995-L1006 HydrophobicContact CD1-CD2 4.21Å; L995-L1022 HydrophobicContact CB-CD1 3.53Å; L995-L1022 HydrophobicContact CD1-CD1 4.49Å |
| 996 | S | 84.9 | Confident | 88.8 | Confident | 29 Ų | 29 | 33.6 Ų | 33.6 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18 | 172.1 | -54.1 | 0 | 0 | 0 | 0 | 113.3 | A994 D1021 K1037 | A994-S996 VanDerWaalsContact C-N 3.3Å; A994-S996 PolarHBondContact O-N 2.96Å; S996-D1021 VanDerWaalsContact CB-O 3.3Å; S996-D1021 WeakPolarHBondContact CB-O 3.14Å; S996-D1021 PolarHBondContact OG-O 2.87Å; S996-K1037 PolarHBondContact O-NZ 2.76Å |
| 997 | T | 77.2 | Confident | 88.9 | Confident | 46 Ų | 46 | 33 Ų | 33 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -66.4 | 162.7 | -179.7 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | A994 L995 S999 K1037 | A994-T997 WeakPolarHBondContact O-CB 3.43Å; A994-T997 WeakPolarHBondContact O-CG2 3.47Å; A994-T997 PolarHBondContact O-N 3.06Å; A994-T997 PolarHBondContact O-OG1 2.79Å; L995-T997 PolarHBondContact O-N 3.39Å; T997-S999 VanDerWaalsContact C-N 3.26Å; T997-S999 PolarHBondContact O-N 3.34Å; T997-K1037 VanDerWaalsContact C-NZ 3.31Å; T997-K1037 PolarHBondContact O-NZ 3.02Å |
| 998 | S | 68.4 | Low | 89 | Confident | 104 Ų | 104 | 32.9 Ų | 32.9 | 73% | 0.727 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.4 | -178.2 | 46.7 | 0 | 0 | 0 | 0 | 113.8 | C1000 | S998-C1000 VanDerWaalsContact C-N 3.31Å; S998-C1000 PolarHBondContact O-N 3.15Å |
| 999 | S | 73.1 | Confident | 89.1 | Confident | 54 Ų | 54 | 34.4 Ų | 34.4 | 38% | 0.378 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 20.9 | -173.3 | -47.7 | 0 | 0 | 0 | 0 | 115.3 | N974 T997 | N974-S999 WeakPolarHBondContact ND2-CB 3.44Å; N974-S999 PolarHBondContact ND2-OG 3.38Å; N974-S999 VanDerWaalsContact OD1-CB 3.31Å; N974-S999 WeakPolarHBondContact OD1-CB 3.3Å; T997-S999 VanDerWaalsContact C-N 3.26Å; T997-S999 PolarHBondContact O-N 3.34Å |
| 1000 | C | 81.7 | Confident | 89.2 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 11% | 0.108 | 20% | 0.204 | C | C | . | . | trans | -75.3 | 128.8 | -179.2 | -163.2 | 0 | 0 | 0 | 0 | 111.3 | L995 S998 K1037 | L995-C1000 WeakPolarHBondContact O-CB 3.24Å; L995-C1000 PolarHBondContact O-SG 3.22Å; S998-C1000 VanDerWaalsContact C-N 3.31Å; S998-C1000 PolarHBondContact O-N 3.15Å; C1000-K1037 HydrophobicContact CB-CD 4.32Å | ||
| 1001 | P | 86.1 | Confident | 89.4 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | trans | -71.2 | 162 | 179.2 | 30.2 | -35 | 0 | 0 | 0 | 111.8 | L979 L1003 | L979-P1001 HydrophobicContact CB-CG 4.3Å; L979-P1001 HydrophobicContact CD2-CG 4.45Å; P1001-L1003 HydrophobicContact CG-CD2 4.17Å; P1001-L1003 HydrophobicContact CG-CG 4.27Å; P1001-L1003 PolarHBondContact O-N 3.26Å | ||
| 1002 | L | 88.1 | Confident | 89.4 | Confident | 89 Ų | 89 | 39.4 Ų | 39.4 | 47% | 0.466 | 21% | 0.208 | S | C | . | . | trans | -76.3 | 69.8 | -179.7 | -65.7 | 175 | 0 | 0 | 0 | 111.9 | ||||
| 1003 | L | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -59.9 | 147.5 | 178.4 | -63.7 | 173.6 | 0 | 0 | 0 | 112.3 | L979 K980 L982 P1001 N1040 M1041 | L979-L1003 HydrophobicContact CD2-CD2 4.11Å; L979-L1003 HydrophobicContact CG-CD2 3.93Å; K980-L1003 CarbonylContact O-C 3.35Å; K980-L1003 WeakPolarHBondContact O-CA 3.23Å; L982-L1003 HydrophobicContact CB-CD1 4.01Å; L982-L1003 HydrophobicContact CB-CD2 3.92Å; L982-L1003 HydrophobicContact CD2-CD1 4.04Å; P1001-L1003 HydrophobicContact CG-CD2 4.17Å; P1001-L1003 HydrophobicContact CG-CG 4.27Å; P1001-L1003 PolarHBondContact O-N 3.26Å; L1003-N1040 CarbonylContact O-C 3.41Å; L1003-M1041 HydrophobicContact CB-CE 3.37Å; L1003-M1041 HydrophobicContact CD1-CE 4.4Å | ||
| 1004 | R | 94.6 | Very high | 89.3 | Confident | 128 Ų | 128 | 41.4 Ų | 41.4 | 48% | 0.483 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -109.7 | -31.8 | 173.8 | -65.3 | -177.1 | 175.7 | -168 | -7.3 | 112.6 | K980 T1042 D1043 | K980-R1004 HydrophobicContact CB-CG 4.41Å; K980-R1004 PolarHBondContact O-N 3.34Å; R1004-T1042 PolarHBondContact O-N 2.84Å; R1004-T1042 PolarHBondContact O-OG1 2.69Å; R1004-D1043 PolarHBondContact O-N 3.19Å |
| 1005 | T | 96.4 | Very high | 89.5 | Confident | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.086 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 128 | 177.5 | -48.5 | 0 | 0 | 0 | 0 | 109.9 | K980 D981 L982 L983 D1043 | K980-T1005 PolarHBondContact O-N 3.11Å; K980-T1005 VanDerWaalsContact O-N 3.09Å; D981-T1005 WeakPolarHBondContact OD1-CB 3.27Å; D981-T1005 PolarHBondContact OD1-OG1 3.21Å; L982-T1005 PolarHBondContact N-O 2.91Å; L983-T1005 HydrophobicContact CD2-CG2 4.28Å; T1005-D1043 VanDerWaalsContact CA-O 3.29Å; T1005-D1043 WeakPolarHBondContact CA-O 3.3Å; T1005-D1043 HydrophobicContact CG2-CB 3.94Å |
| 1006 | L | 96.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 120.7 | 172.2 | 178.5 | 59.4 | 0 | 0 | 0 | 110.7 | L982 L984 L995 L1008 L1022 L1038 M1041 D1043 F1044 R1045 | L982-L1006 HydrophobicContact CB-CD1 4.4Å; L982-L1006 HydrophobicContact CG-CD1 4.43Å; L982-L1006 WeakPolarHBondContact O-CA 3.48Å; L984-L1006 HydrophobicContact CD1-CD1 4.33Å; L995-L1006 HydrophobicContact CD1-CD1 4.01Å; L995-L1006 HydrophobicContact CD1-CD2 4.21Å; L1006-L1008 HydrophobicContact CD1-CD2 3.92Å; L1006-L1008 HydrophobicContact CD1-CG 4.34Å; L1006-L1008 HydrophobicContact CD2-CD1 4.35Å; L1006-L1008 HydrophobicContact CD2-CG 4.47Å; L1006-L1008 HydrophobicContact CG-CD1 4.46Å; L1006-L1008 HydrophobicContact CG-CD2 4.19Å; L1006-L1008 HydrophobicContact CG-CG 4.07Å; L1006-L1022 HydrophobicContact CD2-CD2 4.29Å; L1006-L1038 HydrophobicContact CD2-CD1 3.86Å; L1006-M1041 HydrophobicContact CB-CE 3.43Å; L1006-M1041 VanDerWaalsContact CB-CE 3.43Å; L1006-M1041 HydrophobicContact CB-SD 3.92Å; L1006-M1041 HydrophobicContact CD2-CE 4.38Å; L1006-D1043 PolarHBondContact N-O 3.36Å; L1006-F1044 HydrophobicContact CB-CD2 4.05Å; L1006-F1044 HydrophobicContact CB-CE2 4.3Å; L1006-F1044 HydrophobicContact CD2-CD2 4.45Å; L1006-F1044 HydrophobicContact CD2-CE2 3.89Å; L1006-F1044 HydrophobicContact CG-CD2 4.31Å; L1006-F1044 HydrophobicContact CG-CE2 4.08Å; L1006-F1044 WeakPolarHBondContact O-CD2 3.24Å; L1006-R1045 PolarHBondContact O-N 3.09Å |
| 1007 | D | 96.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 110.6 | -178 | -170.2 | -25.4 | 0 | 0 | 0 | 110.1 | L982 L983 L984 A985 R1009 R1045 | L982-D1007 PolarHBondContact O-N 3.14Å; L982-D1007 VanDerWaalsContact O-N 3.13Å; L983-D1007 HydrophobicContact CB-CB 4.17Å; L983-D1007 HydrophobicContact CD2-CB 3.38Å; L983-D1007 HydrophobicContact CG-CB 4.38Å; L984-D1007 CarbonylContact C-O 3.52Å; L984-D1007 WeakPolarHBondContact CA-O 3.34Å; L984-D1007 PolarHBondContact N-O 3.46Å; A985-D1007 PolarHBondContact N-O 3.39Å; D1007-R1009 VanDerWaalsContact CG-NE 3.27Å; D1007-R1009 WeakPolarHBondContact OD1-CB 3.23Å; D1007-R1009 WeakPolarHBondContact OD1-CG 3.33Å; D1007-R1009 IonicContact OD1-CZ 2.75Å; D1007-R1009 PolarHBondContact OD1-N 2.77Å; D1007-R1009 IonicContact OD1-NE 2.64Å; D1007-R1009 PolarHBondContact OD1-NE 3.29Å; D1007-R1009 IonicContact OD1-NH2 3.57Å; D1007-R1009 IonicContact OD2-CZ 3.16Å; D1007-R1009 IonicContact OD2-NE 3.45Å; D1007-R1009 PolarHBondContact OD2-NE 3Å; D1007-R1009 IonicContact OD2-NH2 3.53Å; D1007-R1009 PolarHBondContact OD2-NH2 3.48Å; D1007-R1045 HydrophobicContact CB-CB 4.4Å; D1007-R1045 WeakPolarHBondContact OD2-CD 3.45Å; D1007-R1045 IonicContact OD2-NH1 2.7Å; D1007-R1045 PolarHBondContact OD2-NH1 3.16Å |
| 1008 | L | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -114.4 | 18.5 | 179.9 | -57.7 | 179.5 | 0 | 0 | 0 | 111.8 | L984 V992 L1006 W1010 A1011 I1014 I1019 L1022 F1044 R1045 L1046 L1049 | L984-L1008 HydrophobicContact CB-CD2 4.14Å; L984-L1008 HydrophobicContact CD1-CD2 4.46Å; V992-L1008 HydrophobicContact CG1-CD1 4.47Å; V992-L1008 HydrophobicContact CG1-CD2 3.78Å; V992-L1008 HydrophobicContact CG2-CD2 4.13Å; L1006-L1008 HydrophobicContact CD1-CD2 3.92Å; L1006-L1008 HydrophobicContact CD1-CG 4.34Å; L1006-L1008 HydrophobicContact CD2-CD1 4.35Å; L1006-L1008 HydrophobicContact CD2-CG 4.47Å; L1006-L1008 HydrophobicContact CG-CD1 4.46Å; L1006-L1008 HydrophobicContact CG-CD2 4.19Å; L1006-L1008 HydrophobicContact CG-CG 4.07Å; L1008-W1010 PolarHBondContact O-N 2.71Å; L1008-A1011 HydrophobicContact CB-CB 4.33Å; L1008-A1011 WeakPolarHBondContact O-CB 3.28Å; L1008-A1011 PolarHBondContact O-N 2.68Å; L1008-I1014 HydrophobicContact CD1-CD1 4.21Å; L1008-I1014 HydrophobicContact CD2-CD1 4.5Å; L1008-I1019 HydrophobicContact CD1-CD1 4.28Å; L1008-L1022 HydrophobicContact CD1-CD2 4.09Å; L1008-F1044 HydrophobicContact CD1-CE2 4.1Å; L1008-F1044 HydrophobicContact CD1-CZ 4.46Å; L1008-R1045 PolarHBondContact N-O 2.92Å; L1008-L1046 HydrophobicContact CB-CD2 4.37Å; L1008-L1046 HydrophobicContact CD1-CD2 4.15Å; L1008-L1049 HydrophobicContact CB-CD1 4.28Å | ||
| 1009 | R | 95.9 | Very high | 91.7 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 32% | 0.321 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 131.2 | -173 | -64.7 | 178.9 | -67.3 | 162.8 | 0.1 | 111.3 | A985 G986 D1007 A1011 R1045 A1047 D1070 | A985-R1009 CarbonylContact C-O 3.55Å; A985-R1009 WeakPolarHBondContact CA-O 3.34Å; A985-R1009 HydrophobicContact CB-CB 4.15Å; A985-R1009 VanDerWaalsContact CB-O 3.24Å; A985-R1009 WeakPolarHBondContact CB-O 3.28Å; G986-R1009 PolarHBondContact N-O 3.12Å; D1007-R1009 VanDerWaalsContact CG-NE 3.27Å; D1007-R1009 WeakPolarHBondContact OD1-CB 3.23Å; D1007-R1009 WeakPolarHBondContact OD1-CG 3.33Å; D1007-R1009 IonicContact OD1-CZ 2.75Å; D1007-R1009 PolarHBondContact OD1-N 2.77Å; D1007-R1009 IonicContact OD1-NE 2.64Å; D1007-R1009 PolarHBondContact OD1-NE 3.29Å; D1007-R1009 IonicContact OD1-NH2 3.57Å; D1007-R1009 IonicContact OD2-CZ 3.16Å; D1007-R1009 IonicContact OD2-NE 3.45Å; D1007-R1009 PolarHBondContact OD2-NE 3Å; D1007-R1009 IonicContact OD2-NH2 3.53Å; D1007-R1009 PolarHBondContact OD2-NH2 3.48Å; R1009-A1011 PolarHBondContact O-N 3.4Å; R1009-A1011 VanDerWaalsContact O-N 3.12Å; R1009-R1045 HydrophobicContact CG-CB 3.7Å; R1009-A1047 CarbonylContact C-O 3.58Å; R1009-A1047 VanDerWaalsContact CA-O 3.27Å; R1009-A1047 WeakPolarHBondContact CA-O 3.43Å; R1009-A1047 HydrophobicContact CB-CB 4.19Å; R1009-A1047 HydrophobicContact CG-CB 3.67Å; R1009-D1070 VanDerWaalsContact CD-OD2 3.26Å; R1009-D1070 WeakPolarHBondContact CD-OD2 3.28Å |
| 1010 | W | 95.8 | Very high | 92.5 | Very high | 132 Ų | 132 | 46.6 Ų | 46.6 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 19.1 | -176.3 | -52.7 | 95.8 | 0 | 0 | 0 | 115.2 | W961 G986 L1008 A1047 H1073 | W961-W1010 HydrophobicContact CH2-CB 3.83Å; W961-W1010 HydrophobicContact CZ2-CB 4.03Å; G986-W1010 WeakPolarHBondContact CA-O 3.44Å; L1008-W1010 PolarHBondContact O-N 2.71Å; W1010-A1047 PolarHBondContact N-O 2.75Å; W1010-H1073 HydrophobicContact CH2-CB 3.89Å; W1010-H1073 HydrophobicContact CZ2-CB 4.02Å; W1010-H1073 AromaticContact CZ2-CD2 3.99Å |
| 1011 | A | 94.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 5% | 0.05 | 24% | 0.242 | C | C | . | . | trans | -65.1 | 135 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | C987 L1008 R1009 I1014 L1049 | C987-A1011 CarbonylContact O-C 3.39Å; C987-A1011 WeakPolarHBondContact O-CA 3.46Å; C987-A1011 VanDerWaalsContact O-CB 3.27Å; C987-A1011 WeakPolarHBondContact O-CB 3.48Å; L1008-A1011 HydrophobicContact CB-CB 4.33Å; L1008-A1011 WeakPolarHBondContact O-CB 3.28Å; L1008-A1011 PolarHBondContact O-N 2.68Å; R1009-A1011 PolarHBondContact O-N 3.4Å; R1009-A1011 VanDerWaalsContact O-N 3.12Å; A1011-I1014 HydrophobicContact CB-CD1 3.64Å; A1011-I1014 HydrophobicContact CB-CG1 4.19Å; A1011-L1049 HydrophobicContact CB-CD2 4.17Å; A1011-L1049 WeakPolarHBondContact O-CD2 3.38Å | ||
| 1012 | V | 92.9 | Very high | 92.8 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 58% | 0.576 | 24% | 0.239 | S | C | * | . | B | Isolated β-bridge | trans | -85.3 | 122.3 | -167 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | C987 S988 W989 | C987-V1012 PolarHBondContact O-N 3.26Å; S988-V1012 CarbonylContact C-O 3.56Å; S988-V1012 WeakPolarHBondContact CA-O 3.33Å; W989-V1012 PolarHBondContact N-O 3.14Å |
| 1013 | G | 89.9 | Confident | 92.6 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 52% | 0.515 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 19 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | W989 | W989-G1013 WeakPolarHBondContact CB-O 3.21Š|
| 1014 | I | 93.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | trans | -98.5 | 123 | 172.8 | -54.2 | -171.3 | 0 | 0 | 0 | 109.6 | W989 V992 L1008 A1011 Q1018 I1019 L1049 | W989-I1014 HydrophobicContact CB-CG1 3.99Å; W989-I1014 HydrophobicContact CE3-CD1 4.1Å; W989-I1014 HydrophobicContact CE3-CG1 3.99Å; V992-I1014 HydrophobicContact CB-CD1 4.19Å; V992-I1014 HydrophobicContact CG1-CD1 4.02Å; V992-I1014 HydrophobicContact CG2-CD1 4.14Å; L1008-I1014 HydrophobicContact CD1-CD1 4.21Å; L1008-I1014 HydrophobicContact CD2-CD1 4.5Å; A1011-I1014 HydrophobicContact CB-CD1 3.64Å; A1011-I1014 HydrophobicContact CB-CG1 4.19Å; I1014-Q1018 HydrophobicContact CG2-CB 4.15Å; I1014-I1019 HydrophobicContact CG2-CD1 3.47Å; I1014-I1019 VanDerWaalsContact CG2-CD1 3.47Å; I1014-I1019 HydrophobicContact CG2-CG1 3.81Å; I1014-L1049 HydrophobicContact CB-CD1 4.34Å; I1014-L1049 HydrophobicContact CB-CD2 4.22Å; I1014-L1049 HydrophobicContact CG2-CD1 4.16Å | ||
| 1015 | K | 93.4 | Very high | 90.1 | Very high | 98 Ų | 98 | 44.1 Ų | 44.1 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | -133.5 | -177.3 | 171.4 | -51.6 | -161.4 | -175.2 | -159.5 | 0 | 110.2 | P1017 Q1018 I1019 D1050 | K1015-P1017 VanDerWaalsContact C-CD 3.42Å; K1015-P1017 VanDerWaalsContact C-N 3.34Å; K1015-Q1018 VanDerWaalsContact N-OE1 3.15Å; K1015-Q1018 PolarHBondContact O-N 2.96Å; K1015-I1019 PolarHBondContact O-N 3Å; K1015-D1050 WeakPolarHBondContact CA-O 3.38Å; K1015-D1050 WeakPolarHBondContact CB-O 3.44Å; K1015-D1050 HydrophobicContact CD-CB 4.29Å; K1015-D1050 WeakPolarHBondContact CE-OD2 3.42Å; K1015-D1050 HydrophobicContact CG-CB 4.24Å; K1015-D1050 WeakPolarHBondContact CG-O 3.43Å; K1015-D1050 IonicContact NZ-OD2 2.72Å; K1015-D1050 PolarHBondContact NZ-OD2 3.43Å |
| 1016 | D | 92.2 | Very high | 88.3 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -48.5 | -41.5 | -179.6 | -55.2 | -107 | 0 | 0 | 0 | 115.1 | I1019 R1020 I1051 T1052 T1055 | D1016-I1019 PolarHBondContact O-N 2.95Å; D1016-R1020 WeakPolarHBondContact O-CB 3.28Å; D1016-R1020 PolarHBondContact O-N 3.22Å; D1016-I1051 WeakPolarHBondContact OD2-CA 3.25Å; D1016-T1052 VanDerWaalsContact CG-OG1 3.28Å; D1016-T1052 PolarHBondContact OD1-N 3.27Å; D1016-T1052 PolarHBondContact OD1-OG1 3.46Å; D1016-T1052 PolarHBondContact OD2-N 3.06Å; D1016-T1052 PolarHBondContact OD2-OG1 3.25Å; D1016-T1055 WeakPolarHBondContact OD1-CB 3.26Å; D1016-T1055 PolarHBondContact OD1-N 3.4Å; D1016-T1055 PolarHBondContact OD1-OG1 3.2Å |
| 1017 | P | 90.4 | Very high | 85.9 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.1 | -20.9 | 34.3 | 0 | 0 | 0 | 112 | K1015 I1019 R1020 D1021 | K1015-P1017 VanDerWaalsContact C-CD 3.42Å; K1015-P1017 VanDerWaalsContact C-N 3.34Å; P1017-I1019 VanDerWaalsContact C-N 3.35Å; P1017-I1019 PolarHBondContact O-N 3.03Å; P1017-R1020 CarbonylContact O-C 3.47Å; P1017-R1020 WeakPolarHBondContact O-CA 3.47Å; P1017-R1020 WeakPolarHBondContact O-CB 3.42Å; P1017-R1020 PolarHBondContact O-N 3.31Å; P1017-R1020 VanDerWaalsContact O-N 3.15Å; P1017-D1021 PolarHBondContact O-N 2.72Å; P1017-D1021 VanDerWaalsContact O-OD1 3.05Å |
| 1018 | Q | 92.4 | Very high | 83.6 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 20% | 0.201 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.2 | -33.1 | 179.3 | -69.9 | 70.6 | 45.8 | 0 | 0 | 112.2 | W989 I1014 K1015 D1021 L1022 | W989-Q1018 HydrophobicContact CD2-CB 3.74Å; W989-Q1018 HydrophobicContact CD2-CG 3.61Å; W989-Q1018 HydrophobicContact CE3-CB 3.89Å; W989-Q1018 HydrophobicContact CE3-CG 4.28Å; W989-Q1018 HydrophobicContact CG-CB 4.35Å; W989-Q1018 HydrophobicContact CG-CG 3.77Å; W989-Q1018 HydrophobicContact CH2-CB 3.98Å; W989-Q1018 WeakPolarHBondContact CH2-O 3.4Å; W989-Q1018 HydrophobicContact CZ2-CB 3.84Å; W989-Q1018 HydrophobicContact CZ2-CG 3.91Å; W989-Q1018 HydrophobicContact CZ3-CB 4.01Å; I1014-Q1018 HydrophobicContact CG2-CB 4.15Å; K1015-Q1018 VanDerWaalsContact N-OE1 3.15Å; K1015-Q1018 PolarHBondContact O-N 2.96Å; Q1018-D1021 PolarHBondContact O-N 3.17Å; Q1018-L1022 WeakPolarHBondContact O-CB 3.3Å; Q1018-L1022 PolarHBondContact O-N 3.1Å; Q1018-L1022 VanDerWaalsContact O-N 3.09Å |
| 1019 | I | 91.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68 | -39.2 | 170.6 | -61.4 | -63.5 | 0 | 0 | 0 | 110.8 | L1008 I1014 K1015 D1016 P1017 L1022 L1023 L1046 I1051 T1055 | L1008-I1019 HydrophobicContact CD1-CD1 4.28Å; I1014-I1019 HydrophobicContact CG2-CD1 3.47Å; I1014-I1019 VanDerWaalsContact CG2-CD1 3.47Å; I1014-I1019 HydrophobicContact CG2-CG1 3.81Å; K1015-I1019 PolarHBondContact O-N 3Å; D1016-I1019 PolarHBondContact O-N 2.95Å; P1017-I1019 VanDerWaalsContact C-N 3.35Å; P1017-I1019 PolarHBondContact O-N 3.03Å; I1019-L1022 WeakPolarHBondContact O-CB 3.35Å; I1019-L1022 PolarHBondContact O-N 3.2Å; I1019-L1023 HydrophobicContact CG2-CD1 3.66Å; I1019-L1023 HydrophobicContact CG2-CG 4.21Å; I1019-L1023 VanDerWaalsContact O-CG 3.28Å; I1019-L1023 WeakPolarHBondContact O-CG 3.3Å; I1019-L1023 PolarHBondContact O-N 2.7Å; I1019-L1046 HydrophobicContact CD1-CD2 3.84Å; I1019-I1051 HydrophobicContact CG1-CG2 4.34Å; I1019-T1055 HydrophobicContact CB-CG2 4.4Å; I1019-T1055 HydrophobicContact CG1-CG2 4.45Å; I1019-T1055 HydrophobicContact CG2-CG2 3.87Å |
| 1020 | R | 88.7 | Confident | 78.3 | Confident | 124 Ų | 124 | 67 Ų | 67 | 47% | 0.468 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 171.6 | -174.7 | -171.9 | 62.8 | -160 | -3.7 | 111.5 | D1016 P1017 L1022 L1023 T1024 L1058 | D1016-R1020 WeakPolarHBondContact O-CB 3.28Å; D1016-R1020 PolarHBondContact O-N 3.22Å; P1017-R1020 CarbonylContact O-C 3.47Å; P1017-R1020 WeakPolarHBondContact O-CA 3.47Å; P1017-R1020 WeakPolarHBondContact O-CB 3.42Å; P1017-R1020 PolarHBondContact O-N 3.31Å; P1017-R1020 VanDerWaalsContact O-N 3.15Å; R1020-L1022 PolarHBondContact O-N 3.01Å; R1020-L1022 VanDerWaalsContact O-N 3.14Å; R1020-L1023 PolarHBondContact O-N 3.07Å; R1020-T1024 WeakPolarHBondContact O-CB 3.27Å; R1020-T1024 PolarHBondContact O-N 2.99Å; R1020-T1024 PolarHBondContact O-OG1 2.98Å; R1020-L1058 HydrophobicContact CB-CD1 3.68Å; R1020-L1058 HydrophobicContact CG-CD1 4.14Å |
| 1021 | D | 87.4 | Confident | 76.1 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.9 | -11.8 | 178.9 | -51.8 | -17.8 | 0 | 0 | 0 | 113.1 | W989 S996 P1017 Q1018 | W989-D1021 HydrophobicContact CH2-CB 4.45Å; W989-D1021 HydrophobicContact CZ2-CB 4.24Å; S996-D1021 VanDerWaalsContact CB-O 3.3Å; S996-D1021 WeakPolarHBondContact CB-O 3.14Å; S996-D1021 PolarHBondContact OG-O 2.87Å; P1017-D1021 PolarHBondContact O-N 2.72Å; P1017-D1021 VanDerWaalsContact O-OD1 3.05Å; Q1018-D1021 PolarHBondContact O-N 3.17Å |
| 1022 | L | 88.2 | Confident | 73.8 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.031 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -91.8 | -32.5 | 171 | 178.3 | 62.7 | 0 | 0 | 0 | 112.6 | W989 L995 L1006 L1008 Q1018 I1019 R1020 L1038 | W989-L1022 HydrophobicContact CH2-CB 4.35Å; W989-L1022 HydrophobicContact CZ3-CB 4.48Å; L995-L1022 HydrophobicContact CB-CD1 3.53Å; L995-L1022 HydrophobicContact CD1-CD1 4.49Å; L1006-L1022 HydrophobicContact CD2-CD2 4.29Å; L1008-L1022 HydrophobicContact CD1-CD2 4.09Å; Q1018-L1022 WeakPolarHBondContact O-CB 3.3Å; Q1018-L1022 PolarHBondContact O-N 3.1Å; Q1018-L1022 VanDerWaalsContact O-N 3.09Å; I1019-L1022 WeakPolarHBondContact O-CB 3.35Å; I1019-L1022 PolarHBondContact O-N 3.2Å; R1020-L1022 PolarHBondContact O-N 3.01Å; R1020-L1022 VanDerWaalsContact O-N 3.14Å; L1022-L1038 HydrophobicContact CD2-CD1 4.31Å; L1022-L1038 HydrophobicContact CG-CD1 4.18Å |
| 1023 | L | 83 | Confident | 71.5 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -96.5 | -32.9 | -173.8 | -64 | 177.4 | 0 | 0 | 0 | 114 | I1019 R1020 S1036 L1038 L1058 H1062 M1063 | I1019-L1023 HydrophobicContact CG2-CD1 3.66Å; I1019-L1023 HydrophobicContact CG2-CG 4.21Å; I1019-L1023 VanDerWaalsContact O-CG 3.28Å; I1019-L1023 WeakPolarHBondContact O-CG 3.3Å; I1019-L1023 PolarHBondContact O-N 2.7Å; R1020-L1023 PolarHBondContact O-N 3.07Å; L1023-S1036 WeakPolarHBondContact O-CB 3.48Å; L1023-S1036 PolarHBondContact O-OG 2.9Å; L1023-L1038 HydrophobicContact CD2-CB 4.21Å; L1023-L1038 HydrophobicContact CD2-CD1 3.84Å; L1023-L1038 HydrophobicContact CD2-CG 4.31Å; L1023-L1058 HydrophobicContact CD1-CB 3.77Å; L1023-H1062 HydrophobicContact CB-CB 4.41Å; L1023-M1063 HydrophobicContact CD2-CE 3.48Å; L1023-M1063 VanDerWaalsContact CD2-CE 3.48Å |
| 1024 | T | 73.9 | Confident | 69.6 | Low | 67 Ų | 67 | 75.4 Ų | 75.4 | 41% | 0.411 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -76.5 | 133.1 | 177.6 | -51.4 | 0 | 0 | 0 | 0 | 109.9 | R1020 | R1020-T1024 WeakPolarHBondContact O-CB 3.27Å; R1020-T1024 PolarHBondContact O-N 2.99Å; R1020-T1024 PolarHBondContact O-OG1 2.98Å |
| 1025 | P | 61.8 | Low | 68.1 | Low | 50 Ų | 50 | 83.1 Ų | 83.1 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 144.9 | 170.5 | 27.6 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 1026 | P | 57.8 | Low | 67 | Low | 70 Ų | 70 | 78.7 Ų | 78.7 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -62 | 139.4 | 175.3 | 27.2 | -34.2 | 0 | 0 | 0 | 110.3 | D1028 | P1026-D1028 PolarHBondContact O-N 3.42Å; P1026-D1028 VanDerWaalsContact O-N 3.16Å |
| 1027 | A | 47.6 | Very low | 66.2 | Low | 96 Ų | 96 | 79.9 Ų | 79.9 | 79% | 0.793 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -1.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1029 | A1027-K1029 VanDerWaalsContact C-N 3.3Å; A1027-K1029 PolarHBondContact O-N 3.4Å |
| 1028 | D | 46.8 | Very low | 65.9 | Low | 144 Ų | 144 | 77.4 Ų | 77.4 | 77% | 0.77 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8.6 | -163.8 | -51.9 | -47 | 0 | 0 | 0 | 115.5 | P1026 | P1026-D1028 PolarHBondContact O-N 3.42Å; P1026-D1028 VanDerWaalsContact O-N 3.16Å |
| 1029 | K | 45.2 | Very low | 65.6 | Low | 138 Ų | 138 | 79.6 Ų | 79.6 | 60% | 0.6 | 43% | 0.432 | S | S | * | . | trans | -142.9 | 97.5 | 175.8 | -69.2 | -167.1 | 177.6 | -172.8 | 0 | 111.2 | E190 A1027 G1031 | E190-K1029 IonicContact OE1-NZ 2.72Å; E190-K1029 IonicContact OE2-NZ 3.26Å; E190-K1029 PolarHBondContact OE2-NZ 2.66Å; A1027-K1029 VanDerWaalsContact C-N 3.3Å; A1027-K1029 PolarHBondContact O-N 3.4Å; K1029-G1031 PolarHBondContact O-N 2.71Å | ||
| 1030 | P | 37.1 | Very low | 65.5 | Low | 133 Ų | 133 | 82.1 Ų | 82.1 | 86% | 0.864 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 120.4 | 171.2 | 29.2 | -32.5 | 0 | 0 | 0 | 110 | ||
| 1031 | G | 48.2 | Very low | 65.8 | Low | 80 Ų | 80 | 76.2 Ų | 76.2 | 83% | 0.825 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.9 | -19.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1029 | K1029-G1031 PolarHBondContact O-N 2.71Š|
| 1032 | Q | 47.2 | Very low | 66.1 | Low | 163 Ų | 163 | 75.1 Ų | 75.1 | 76% | 0.762 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -86.6 | 146.7 | 177.2 | -154.1 | 167.8 | 38.6 | 0 | 0 | 111.9 | N1034 | Q1032-N1034 PolarHBondContact O-N 3.39Š|
| 1033 | D | 45.2 | Very low | 66.5 | Low | 75 Ų | 75 | 75 Ų | 75 | 40% | 0.401 | 42% | 0.419 | S | S | . | . | trans | -35.7 | 108 | -176.4 | -177.2 | 24.4 | 0 | 0 | 0 | 113.4 | R1035 R1039 | D1033-R1035 PolarHBondContact O-N 3.14Å; D1033-R1035 VanDerWaalsContact OD1-CD 3.23Å; D1033-R1035 WeakPolarHBondContact OD1-CD 3.4Å; D1033-R1035 VanDerWaalsContact OD1-CG 3.27Å; D1033-R1035 WeakPolarHBondContact OD1-CG 3.46Å; D1033-R1035 IonicContact OD1-CZ 3.87Å; D1033-R1035 IonicContact OD1-NE 2.62Å; D1033-R1035 IonicContact OD1-NH1 2.72Å; D1033-R1035 PolarHBondContact OD1-NH1 3.44Å; D1033-R1035 IonicContact OD2-NH1 3.29Å; D1033-R1035 PolarHBondContact OD2-NH1 3.2Å; D1033-R1039 IonicContact OD2-CZ 2.8Å; D1033-R1039 IonicContact OD2-NH1 3.48Å; D1033-R1039 PolarHBondContact OD2-NH1 2.79Å | ||
| 1034 | N | 50.7 | Low | 67.2 | Low | 142 Ų | 142 | 75 Ų | 75 | 76% | 0.759 | 42% | 0.418 | S | S | * | . | trans | -64.5 | 14.7 | -171.3 | -85.9 | -53.3 | 0 | 0 | 0 | 115.4 | Q1032 | Q1032-N1034 PolarHBondContact O-N 3.39Š| ||
| 1035 | R | 61.8 | Low | 68.3 | Low | 167 Ų | 167 | 74.7 Ų | 74.7 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -95.7 | 139.5 | -174.8 | -62.7 | 176.8 | -177.2 | 125.9 | -11.7 | 110.4 | D1033 | D1033-R1035 PolarHBondContact O-N 3.14Å; D1033-R1035 VanDerWaalsContact OD1-CD 3.23Å; D1033-R1035 WeakPolarHBondContact OD1-CD 3.4Å; D1033-R1035 VanDerWaalsContact OD1-CG 3.27Å; D1033-R1035 WeakPolarHBondContact OD1-CG 3.46Å; D1033-R1035 IonicContact OD1-CZ 3.87Å; D1033-R1035 IonicContact OD1-NE 2.62Å; D1033-R1035 IonicContact OD1-NH1 2.72Å; D1033-R1035 PolarHBondContact OD1-NH1 3.44Å; D1033-R1035 IonicContact OD2-NH1 3.29Å; D1033-R1035 PolarHBondContact OD2-NH1 3.2Å |
| 1036 | S | 70.3 | Confident | 69.9 | Low | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.035 | 39% | 0.394 | C | S | . | . | trans | -64.9 | 147.5 | -177.1 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | L1023 L1038 R1039 | L1023-S1036 WeakPolarHBondContact O-CB 3.48Å; L1023-S1036 PolarHBondContact O-OG 2.9Å; S1036-L1038 PolarHBondContact O-N 3.13Å; S1036-R1039 VanDerWaalsContact O-CB 3.23Å; S1036-R1039 WeakPolarHBondContact O-CB 3.18Å; S1036-R1039 WeakPolarHBondContact O-CD 3.46Å; S1036-R1039 WeakPolarHBondContact O-CG 3.21Å; S1036-R1039 PolarHBondContact O-N 3.43Å | ||
| 1037 | K | 75.6 | Confident | 71.8 | Confident | 50 Ų | 50 | 69 Ų | 69 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.5 | 174.8 | -61.9 | 167.1 | -170.4 | 166.8 | 0 | 112.1 | S996 T997 C1000 R1039 | S996-K1037 PolarHBondContact O-NZ 2.76Å; T997-K1037 VanDerWaalsContact C-NZ 3.31Å; T997-K1037 PolarHBondContact O-NZ 3.02Å; C1000-K1037 HydrophobicContact CB-CD 4.32Å; K1037-R1039 VanDerWaalsContact C-N 3.32Å; K1037-R1039 PolarHBondContact O-N 2.93Å |
| 1038 | L | 84.1 | Confident | 73.9 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 16.4 | 178.1 | -56 | -166.5 | 0 | 0 | 0 | 113.7 | L1006 L1022 L1023 S1036 N1040 M1041 M1063 | L1006-L1038 HydrophobicContact CD2-CD1 3.86Å; L1022-L1038 HydrophobicContact CD2-CD1 4.31Å; L1022-L1038 HydrophobicContact CG-CD1 4.18Å; L1023-L1038 HydrophobicContact CD2-CB 4.21Å; L1023-L1038 HydrophobicContact CD2-CD1 3.84Å; L1023-L1038 HydrophobicContact CD2-CG 4.31Å; S1036-L1038 PolarHBondContact O-N 3.13Å; L1038-N1040 PolarHBondContact O-N 3.02Å; L1038-N1040 VanDerWaalsContact O-N 3.07Å; L1038-M1041 HydrophobicContact CB-CG 3.86Å; L1038-M1041 HydrophobicContact CD1-CE 4.47Å; L1038-M1041 HydrophobicContact CD2-CE 3.97Å; L1038-M1041 VanDerWaalsContact O-CB 3.29Å; L1038-M1041 WeakPolarHBondContact O-CB 3.09Å; L1038-M1041 VanDerWaalsContact O-CG 3.26Å; L1038-M1041 WeakPolarHBondContact O-CG 3.46Å; L1038-M1041 PolarHBondContact O-N 3.09Å; L1038-M1063 HydrophobicContact CB-CE 4.02Å; L1038-M1063 HydrophobicContact CD1-CE 3.94Å |
| 1039 | R | 85.6 | Confident | 76.2 | Confident | 88 Ų | 88 | 58.8 Ų | 58.8 | 33% | 0.332 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24 | 177.9 | 66.8 | -167.5 | -170.1 | -167.6 | 10.7 | 115.2 | D1033 S1036 K1037 M1041 H1062 | D1033-R1039 IonicContact OD2-CZ 2.8Å; D1033-R1039 IonicContact OD2-NH1 3.48Å; D1033-R1039 PolarHBondContact OD2-NH1 2.79Å; S1036-R1039 VanDerWaalsContact O-CB 3.23Å; S1036-R1039 WeakPolarHBondContact O-CB 3.18Å; S1036-R1039 WeakPolarHBondContact O-CD 3.46Å; S1036-R1039 WeakPolarHBondContact O-CG 3.21Å; S1036-R1039 PolarHBondContact O-N 3.43Å; K1037-R1039 VanDerWaalsContact C-N 3.32Å; K1037-R1039 PolarHBondContact O-N 2.93Å; R1039-M1041 VanDerWaalsContact C-N 3.34Å; R1039-H1062 WeakPolarHBondContact CA-O 3.29Å |
| 1040 | N | 89.9 | Confident | 78.4 | Confident | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 7.1 | 178.6 | -72.1 | 8 | 0 | 0 | 0 | 113.8 | L1003 L1038 T1042 | L1003-N1040 CarbonylContact O-C 3.41Å; L1038-N1040 PolarHBondContact O-N 3.02Å; L1038-N1040 VanDerWaalsContact O-N 3.07Å; N1040-T1042 PolarHBondContact O-N 3Å |
| 1041 | M | 93.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -61.5 | 132.5 | 177.9 | -83.5 | -67.7 | 149.5 | 0 | 0 | 112.3 | L1003 L1006 L1038 R1039 M1063 L1065 L1066 | L1003-M1041 HydrophobicContact CB-CE 3.37Å; L1003-M1041 HydrophobicContact CD1-CE 4.4Å; L1006-M1041 HydrophobicContact CB-CE 3.43Å; L1006-M1041 VanDerWaalsContact CB-CE 3.43Å; L1006-M1041 HydrophobicContact CB-SD 3.92Å; L1006-M1041 HydrophobicContact CD2-CE 4.38Å; L1038-M1041 HydrophobicContact CB-CG 3.86Å; L1038-M1041 HydrophobicContact CD1-CE 4.47Å; L1038-M1041 HydrophobicContact CD2-CE 3.97Å; L1038-M1041 VanDerWaalsContact O-CB 3.29Å; L1038-M1041 WeakPolarHBondContact O-CB 3.09Å; L1038-M1041 VanDerWaalsContact O-CG 3.26Å; L1038-M1041 WeakPolarHBondContact O-CG 3.46Å; L1038-M1041 PolarHBondContact O-N 3.09Å; R1039-M1041 VanDerWaalsContact C-N 3.34Å; M1041-M1063 HydrophobicContact CB-CB 4.22Å; M1041-M1063 HydrophobicContact CB-CE 4.44Å; M1041-M1063 HydrophobicContact CB-CG 3.95Å; M1041-M1063 HydrophobicContact CB-SD 3.61Å; M1041-M1063 HydrophobicContact CG-CE 3.95Å; M1041-M1063 HydrophobicContact CG-CG 4.33Å; M1041-M1063 HydrophobicContact CG-SD 3.77Å; M1041-L1065 CarbonylContact O-C 3.48Å; M1041-L1066 HydrophobicContact CB-CD1 4.44Å; M1041-L1066 WeakPolarHBondContact O-CA 3.46Å; M1041-L1066 PolarHBondContact O-N 3.06Å | ||
| 1042 | T | 94.8 | Very high | 83.3 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 28% | 0.282 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -119.6 | -29.4 | 173.1 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | R1004 N1040 S1067 R1068 | R1004-T1042 PolarHBondContact O-N 2.84Å; R1004-T1042 PolarHBondContact O-OG1 2.69Å; N1040-T1042 PolarHBondContact O-N 3Å; T1042-S1067 PolarHBondContact O-N 3.47Å; T1042-S1067 PolarHBondContact O-OG 3.31Å; T1042-S1067 VanDerWaalsContact O-OG 3.12Å; T1042-R1068 PolarHBondContact O-N 2.82Å |
| 1043 | D | 96.9 | Very high | 85.5 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 108.5 | -178.1 | -179.1 | -12.3 | 0 | 0 | 0 | 109.9 | R1004 T1005 L1006 R1045 R1068 | R1004-D1043 PolarHBondContact O-N 3.19Å; T1005-D1043 VanDerWaalsContact CA-O 3.29Å; T1005-D1043 WeakPolarHBondContact CA-O 3.3Å; T1005-D1043 HydrophobicContact CG2-CB 3.94Å; L1006-D1043 PolarHBondContact N-O 3.36Å; D1043-R1045 WeakPolarHBondContact OD1-CG 3.16Å; D1043-R1045 IonicContact OD1-CZ 3.22Å; D1043-R1045 IonicContact OD1-NE 2.92Å; D1043-R1045 PolarHBondContact OD1-NE 3.47Å; D1043-R1045 IonicContact OD1-NH2 2.75Å; D1043-R1045 IonicContact OD2-CZ 3.47Å; D1043-R1045 IonicContact OD2-NE 2.64Å; D1043-R1045 IonicContact OD2-NH2 2.86Å; D1043-R1045 PolarHBondContact OD2-NH2 3.39Å; D1043-R1068 WeakPolarHBondContact CA-O 3.41Å; D1043-R1068 HydrophobicContact CB-CB 4.28Å; D1043-R1068 IonicContact OD2-CZ 2.86Å; D1043-R1068 VanDerWaalsContact OD2-CZ 3.29Å; D1043-R1068 IonicContact OD2-NE 2.88Å; D1043-R1068 PolarHBondContact OD2-NE 3.32Å; D1043-R1068 IonicContact OD2-NH2 3.44Å; D1043-R1068 PolarHBondContact OD2-NH2 3.16Å |
| 1044 | F | 96.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.2 | -176.2 | -169.5 | -142.7 | 0 | 0 | 0 | 111 | L1006 L1008 L1046 I1059 M1063 L1066 R1068 L1069 D1070 | L1006-F1044 HydrophobicContact CB-CD2 4.05Å; L1006-F1044 HydrophobicContact CB-CE2 4.3Å; L1006-F1044 HydrophobicContact CD2-CD2 4.45Å; L1006-F1044 HydrophobicContact CD2-CE2 3.89Å; L1006-F1044 HydrophobicContact CG-CD2 4.31Å; L1006-F1044 HydrophobicContact CG-CE2 4.08Å; L1006-F1044 WeakPolarHBondContact O-CD2 3.24Å; L1008-F1044 HydrophobicContact CD1-CE2 4.1Å; L1008-F1044 HydrophobicContact CD1-CZ 4.46Å; F1044-L1046 HydrophobicContact CD1-CD1 4.02Å; F1044-L1046 HydrophobicContact CD1-CG 4.24Å; F1044-L1046 HydrophobicContact CE1-CD1 3.64Å; F1044-L1046 HydrophobicContact CE1-CD2 3.97Å; F1044-L1046 HydrophobicContact CE1-CG 3.97Å; F1044-L1046 HydrophobicContact CE2-CD2 3.98Å; F1044-L1046 HydrophobicContact CE2-CG 4.47Å; F1044-L1046 HydrophobicContact CZ-CD1 4.17Å; F1044-L1046 HydrophobicContact CZ-CD2 3.61Å; F1044-L1046 HydrophobicContact CZ-CG 4.1Å; F1044-I1059 HydrophobicContact CD1-CD1 4.1Å; F1044-I1059 HydrophobicContact CD1-CG1 4.29Å; F1044-I1059 HydrophobicContact CE1-CD1 4Å; F1044-I1059 HydrophobicContact CE1-CG1 4.05Å; F1044-M1063 HydrophobicContact CB-SD 4.2Å; F1044-M1063 HydrophobicContact CD1-CE 3.49Å; F1044-M1063 VanDerWaalsContact CD1-CE 3.49Å; F1044-M1063 HydrophobicContact CD1-SD 3.59Å; F1044-M1063 VanDerWaalsContact CD1-SD 3.59Å; F1044-M1063 HydrophobicContact CD2-CE 4.26Å; F1044-M1063 HydrophobicContact CE1-CE 3.36Å; F1044-M1063 HydrophobicContact CE1-SD 4.07Å; F1044-M1063 HydrophobicContact CE2-CE 4.19Å; F1044-M1063 HydrophobicContact CG-CE 3.94Å; F1044-M1063 HydrophobicContact CG-SD 3.99Å; F1044-M1063 HydrophobicContact CZ-CE 3.74Å; F1044-L1066 HydrophobicContact CB-CD1 3.7Å; F1044-R1068 PolarHBondContact N-O 3.35Å; F1044-L1069 WeakPolarHBondContact O-CA 3.49Å; F1044-D1070 PolarHBondContact O-N 3.35Å |
| 1045 | R | 97.3 | Very high | 89.7 | Confident | 60 Ų | 60 | 33.1 Ų | 33.1 | 23% | 0.226 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118 | -170 | -45.6 | -178.8 | -172.6 | 166.5 | -3.1 | 111.6 | L1006 D1007 L1008 R1009 D1043 D1070 | L1006-R1045 PolarHBondContact O-N 3.09Å; D1007-R1045 HydrophobicContact CB-CB 4.4Å; D1007-R1045 WeakPolarHBondContact OD2-CD 3.45Å; D1007-R1045 IonicContact OD2-NH1 2.7Å; D1007-R1045 PolarHBondContact OD2-NH1 3.16Å; L1008-R1045 PolarHBondContact N-O 2.92Å; R1009-R1045 HydrophobicContact CG-CB 3.7Å; D1043-R1045 WeakPolarHBondContact OD1-CG 3.16Å; D1043-R1045 IonicContact OD1-CZ 3.22Å; D1043-R1045 IonicContact OD1-NE 2.92Å; D1043-R1045 PolarHBondContact OD1-NE 3.47Å; D1043-R1045 IonicContact OD1-NH2 2.75Å; D1043-R1045 IonicContact OD2-CZ 3.47Å; D1043-R1045 IonicContact OD2-NE 2.64Å; D1043-R1045 IonicContact OD2-NH2 2.86Å; D1043-R1045 PolarHBondContact OD2-NH2 3.39Å; R1045-D1070 HydrophobicContact CB-CB 3.99Å; R1045-D1070 HydrophobicContact CG-CB 4.04Å |
| 1046 | L | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -124.1 | 11.4 | -172 | -64.1 | 174.2 | 0 | 0 | 0 | 112.4 | L1008 I1019 F1044 G1048 L1049 I1051 T1055 I1059 D1070 L1071 C1074 | L1008-L1046 HydrophobicContact CB-CD2 4.37Å; L1008-L1046 HydrophobicContact CD1-CD2 4.15Å; I1019-L1046 HydrophobicContact CD1-CD2 3.84Å; F1044-L1046 HydrophobicContact CD1-CD1 4.02Å; F1044-L1046 HydrophobicContact CD1-CG 4.24Å; F1044-L1046 HydrophobicContact CE1-CD1 3.64Å; F1044-L1046 HydrophobicContact CE1-CD2 3.97Å; F1044-L1046 HydrophobicContact CE1-CG 3.97Å; F1044-L1046 HydrophobicContact CE2-CD2 3.98Å; F1044-L1046 HydrophobicContact CE2-CG 4.47Å; F1044-L1046 HydrophobicContact CZ-CD1 4.17Å; F1044-L1046 HydrophobicContact CZ-CD2 3.61Å; F1044-L1046 HydrophobicContact CZ-CG 4.1Å; L1046-G1048 PolarHBondContact O-N 2.94Å; L1046-L1049 HydrophobicContact CB-CD1 4.05Å; L1046-L1049 HydrophobicContact CD2-CD1 3.67Å; L1046-L1049 HydrophobicContact CG-CD1 4.5Å; L1046-L1049 VanDerWaalsContact O-CB 3.27Å; L1046-L1049 WeakPolarHBondContact O-CB 3.22Å; L1046-L1049 WeakPolarHBondContact O-CG 3.32Å; L1046-L1049 PolarHBondContact O-N 2.8Å; L1046-I1051 HydrophobicContact CB-CD1 3.9Å; L1046-I1051 HydrophobicContact CD1-CD1 3.84Å; L1046-I1051 HydrophobicContact CG-CD1 4.46Å; L1046-T1055 HydrophobicContact CD1-CG2 4.21Å; L1046-I1059 HydrophobicContact CD1-CD1 3.84Å; L1046-D1070 PolarHBondContact N-O 3.11Å; L1046-L1071 HydrophobicContact CB-CD2 4.29Å; L1046-L1071 HydrophobicContact CD1-CD2 4.09Å; L1046-C1074 PolarHBondContact O-SG 2.78Å | ||
| 1047 | A | 95.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 137.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1009 W1010 L1049 D1070 S1072 | R1009-A1047 CarbonylContact C-O 3.58Å; R1009-A1047 VanDerWaalsContact CA-O 3.27Å; R1009-A1047 WeakPolarHBondContact CA-O 3.43Å; R1009-A1047 HydrophobicContact CB-CB 4.19Å; R1009-A1047 HydrophobicContact CG-CB 3.67Å; W1010-A1047 PolarHBondContact N-O 2.75Å; A1047-L1049 VanDerWaalsContact C-N 3.26Å; A1047-L1049 PolarHBondContact O-N 3.41Å; A1047-D1070 PolarHBondContact N-O 3.48Å; A1047-S1072 CarbonylContact C-O 3.54Å; A1047-S1072 WeakPolarHBondContact CA-O 3.43Å; A1047-S1072 VanDerWaalsContact CB-O 3.25Å; A1047-S1072 WeakPolarHBondContact CB-O 3.22Å; A1047-S1072 WeakPolarHBondContact CB-OG 3.39Å |
| 1048 | G | 93.2 | Very high | 92.7 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 19% | 0.186 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 15.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1046 S1072 | L1046-G1048 PolarHBondContact O-N 2.94Å; G1048-S1072 PolarHBondContact N-O 3.4Å |
| 1049 | L | 94.6 | Very high | 93 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | trans | -89.7 | 154 | 173.2 | -63 | -178.4 | 0 | 0 | 0 | 112.2 | L1008 A1011 I1014 L1046 A1047 I1051 C1074 | L1008-L1049 HydrophobicContact CB-CD1 4.28Å; A1011-L1049 HydrophobicContact CB-CD2 4.17Å; A1011-L1049 WeakPolarHBondContact O-CD2 3.38Å; I1014-L1049 HydrophobicContact CB-CD1 4.34Å; I1014-L1049 HydrophobicContact CB-CD2 4.22Å; I1014-L1049 HydrophobicContact CG2-CD1 4.16Å; L1046-L1049 HydrophobicContact CB-CD1 4.05Å; L1046-L1049 HydrophobicContact CD2-CD1 3.67Å; L1046-L1049 HydrophobicContact CG-CD1 4.5Å; L1046-L1049 VanDerWaalsContact O-CB 3.27Å; L1046-L1049 WeakPolarHBondContact O-CB 3.22Å; L1046-L1049 WeakPolarHBondContact O-CG 3.32Å; L1046-L1049 PolarHBondContact O-N 2.8Å; A1047-L1049 VanDerWaalsContact C-N 3.26Å; A1047-L1049 PolarHBondContact O-N 3.41Å; L1049-I1051 VanDerWaalsContact C-N 3.32Å; L1049-I1051 HydrophobicContact CB-CG1 4.34Å; L1049-I1051 HydrophobicContact CB-CG2 4.12Å; L1049-I1051 PolarHBondContact O-N 3.29Å; L1049-I1051 VanDerWaalsContact O-N 3.15Å; L1049-C1074 PolarHBondContact O-SG 2.79Å | ||
| 1050 | D | 91.1 | Very high | 93.1 | Very high | 60 Ų | 60 | 29.4 Ų | 29.4 | 32% | 0.321 | 16% | 0.155 | S | C | . | . | B | Isolated β-bridge | trans | -89.1 | 72.2 | 177.4 | -172.8 | 21.6 | 0 | 0 | 0 | 109.7 | K1015 H1076 | K1015-D1050 WeakPolarHBondContact CA-O 3.38Å; K1015-D1050 WeakPolarHBondContact CB-O 3.44Å; K1015-D1050 HydrophobicContact CD-CB 4.29Å; K1015-D1050 WeakPolarHBondContact CE-OD2 3.42Å; K1015-D1050 HydrophobicContact CG-CB 4.24Å; K1015-D1050 WeakPolarHBondContact CG-O 3.43Å; K1015-D1050 IonicContact NZ-OD2 2.72Å; K1015-D1050 PolarHBondContact NZ-OD2 3.43Å; D1050-H1076 IonicContact OD1-CD2 2.66Å; D1050-H1076 PolarHBondContact OD1-CD2 3.37Å; D1050-H1076 VanDerWaalsContact OD1-CD2 3.22Å; D1050-H1076 IonicContact OD1-CG 3.58Å; D1050-H1076 IonicContact OD1-NE2 2.79Å |
| 1051 | I | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -120.6 | 151.2 | -176.7 | 57 | 168.1 | 0 | 0 | 0 | 112.6 | D1016 I1019 L1046 L1049 T1055 L1071 C1074 H1076 L1077 | D1016-I1051 WeakPolarHBondContact OD2-CA 3.25Å; I1019-I1051 HydrophobicContact CG1-CG2 4.34Å; L1046-I1051 HydrophobicContact CB-CD1 3.9Å; L1046-I1051 HydrophobicContact CD1-CD1 3.84Å; L1046-I1051 HydrophobicContact CG-CD1 4.46Å; L1049-I1051 VanDerWaalsContact C-N 3.32Å; L1049-I1051 HydrophobicContact CB-CG1 4.34Å; L1049-I1051 HydrophobicContact CB-CG2 4.12Å; L1049-I1051 PolarHBondContact O-N 3.29Å; L1049-I1051 VanDerWaalsContact O-N 3.15Å; I1051-T1055 HydrophobicContact CD1-CG2 4.19Å; I1051-L1071 HydrophobicContact CD1-CD2 4.07Å; I1051-C1074 HydrophobicContact CG1-CB 4.06Å; I1051-H1076 WeakPolarHBondContact O-CB 3.38Å; I1051-L1077 HydrophobicContact CG1-CD2 4.33Å; I1051-L1077 WeakPolarHBondContact O-CD2 3.39Å | ||
| 1052 | T | 94.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 37.2 Ų | 37.2 | 33% | 0.325 | 18% | 0.181 | S | C | . | . | trans | -111.6 | 176.5 | -179 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | D1016 A1054 T1055 H1076 L1077 | D1016-T1052 VanDerWaalsContact CG-OG1 3.28Å; D1016-T1052 PolarHBondContact OD1-N 3.27Å; D1016-T1052 PolarHBondContact OD1-OG1 3.46Å; D1016-T1052 PolarHBondContact OD2-N 3.06Å; D1016-T1052 PolarHBondContact OD2-OG1 3.25Å; T1052-A1054 PolarHBondContact O-N 2.84Å; T1052-A1054 WeakPolarHBondContact OG1-CB 3.44Å; T1052-A1054 PolarHBondContact OG1-N 3.07Å; T1052-T1055 WeakPolarHBondContact O-CB 3.44Å; T1052-T1055 PolarHBondContact O-N 3.15Å; T1052-T1055 VanDerWaalsContact O-N 3.07Å; T1052-H1076 HydrophobicContact CG2-CB 4.24Å; T1052-L1077 VanDerWaalsContact C-CD2 3.44Å | ||
| 1053 | D | 93.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 35 Ų | 35 | 15% | 0.15 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.5 | -15.1 | 172.5 | -52.6 | -49.4 | 0 | 0 | 0 | 113.4 | L1056 T1078 Q1080 S1081 L1084 | D1053-L1056 PolarHBondContact O-N 2.73Å; D1053-T1078 PolarHBondContact OD1-N 3.06Å; D1053-T1078 WeakPolarHBondContact OD2-CB 3.23Å; D1053-T1078 PolarHBondContact OD2-N 3.41Å; D1053-T1078 PolarHBondContact OD2-OG1 3.29Å; D1053-Q1080 HydrophobicContact CB-CB 4.48Å; D1053-S1081 WeakPolarHBondContact OD1-CB 3.33Å; D1053-S1081 PolarHBondContact OD1-N 3.02Å; D1053-S1081 PolarHBondContact OD1-OG 3.16Å; D1053-L1084 HydrophobicContact CB-CD1 4.28Å; D1053-L1084 WeakPolarHBondContact O-CD1 3.19Å |
| 1054 | A | 91.6 | Very high | 92 | Very high | 51 Ų | 51 | 37.9 Ų | 37.9 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.6 | -38.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1052 L1056 R1057 | T1052-A1054 PolarHBondContact O-N 2.84Å; T1052-A1054 WeakPolarHBondContact OG1-CB 3.44Å; T1052-A1054 PolarHBondContact OG1-N 3.07Å; A1054-L1056 PolarHBondContact O-N 3.15Å; A1054-R1057 WeakPolarHBondContact O-CB 3.35Å; A1054-R1057 PolarHBondContact O-N 3.22Å |
| 1055 | T | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.9 | -38 | 175 | -72 | 0 | 0 | 0 | 0 | 112 | D1016 I1019 L1046 I1051 T1052 R1057 L1058 I1059 | D1016-T1055 WeakPolarHBondContact OD1-CB 3.26Å; D1016-T1055 PolarHBondContact OD1-N 3.4Å; D1016-T1055 PolarHBondContact OD1-OG1 3.2Å; I1019-T1055 HydrophobicContact CB-CG2 4.4Å; I1019-T1055 HydrophobicContact CG1-CG2 4.45Å; I1019-T1055 HydrophobicContact CG2-CG2 3.87Å; L1046-T1055 HydrophobicContact CD1-CG2 4.21Å; I1051-T1055 HydrophobicContact CD1-CG2 4.19Å; T1052-T1055 WeakPolarHBondContact O-CB 3.44Å; T1052-T1055 PolarHBondContact O-N 3.15Å; T1052-T1055 VanDerWaalsContact O-N 3.07Å; T1055-R1057 VanDerWaalsContact C-N 3.31Å; T1055-R1057 PolarHBondContact O-N 2.98Å; T1055-L1058 WeakPolarHBondContact O-CB 3.38Å; T1055-L1058 PolarHBondContact O-N 2.97Å; T1055-L1058 VanDerWaalsContact O-N 3.11Å; T1055-I1059 HydrophobicContact CG2-CD1 3.86Å; T1055-I1059 HydrophobicContact CG2-CG1 4.4Å; T1055-I1059 PolarHBondContact O-N 2.94Å |
| 1056 | L | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -36.2 | -179.7 | -80 | -64.9 | 0 | 0 | 0 | 112.2 | D1053 A1054 L1058 I1059 I1060 L1069 L1071 L1077 L1085 | D1053-L1056 PolarHBondContact O-N 2.73Å; A1054-L1056 PolarHBondContact O-N 3.15Å; L1056-L1058 VanDerWaalsContact C-N 3.28Å; L1056-L1058 PolarHBondContact O-N 3.18Å; L1056-I1059 HydrophobicContact CD1-CD1 4.4Å; L1056-I1059 PolarHBondContact O-N 3.11Å; L1056-I1060 WeakPolarHBondContact O-CD1 3.29Å; L1056-I1060 VanDerWaalsContact O-CG1 3.29Å; L1056-I1060 WeakPolarHBondContact O-CG1 3.4Å; L1056-I1060 PolarHBondContact O-N 2.73Å; L1056-L1069 HydrophobicContact CD1-CD2 4.15Å; L1056-L1071 HydrophobicContact CD1-CD1 3.98Å; L1056-L1077 HydrophobicContact CD2-CD2 3.85Å; L1056-L1085 HydrophobicContact CD1-CD1 3.94Å; L1056-L1085 HydrophobicContact CD1-CD2 3.79Å; L1056-L1085 HydrophobicContact CD1-CG 3.83Å |
| 1057 | R | 89.1 | Confident | 91.5 | Very high | 170 Ų | 170 | 41.3 Ų | 41.3 | 64% | 0.642 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62 | -36.5 | 175.1 | -58.2 | -175 | 179.6 | -168.1 | -0.6 | 112.1 | A1054 T1055 R1061 L1084 | A1054-R1057 WeakPolarHBondContact O-CB 3.35Å; A1054-R1057 PolarHBondContact O-N 3.22Å; T1055-R1057 VanDerWaalsContact C-N 3.31Å; T1055-R1057 PolarHBondContact O-N 2.98Å; R1057-R1061 PolarHBondContact O-N 3.03Å; R1057-L1084 HydrophobicContact CG-CD1 3.85Å; R1057-L1084 HydrophobicContact CG-CD2 4.12Å |
| 1058 | L | 88.2 | Confident | 91.5 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 18% | 0.183 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.6 | -42 | 177.4 | -59.2 | 172 | 0 | 0 | 0 | 111.1 | R1020 L1023 T1055 L1056 R1061 H1062 | R1020-L1058 HydrophobicContact CB-CD1 3.68Å; R1020-L1058 HydrophobicContact CG-CD1 4.14Å; L1023-L1058 HydrophobicContact CD1-CB 3.77Å; T1055-L1058 WeakPolarHBondContact O-CB 3.38Å; T1055-L1058 PolarHBondContact O-N 2.97Å; T1055-L1058 VanDerWaalsContact O-N 3.11Å; L1056-L1058 VanDerWaalsContact C-N 3.28Å; L1056-L1058 PolarHBondContact O-N 3.18Å; L1058-R1061 PolarHBondContact O-N 3.28Å; L1058-H1062 VanDerWaalsContact O-CB 3.28Å; L1058-H1062 WeakPolarHBondContact O-CB 3.48Å; L1058-H1062 PolarHBondContact O-CD2 3.09Å; L1058-H1062 PolarHBondContact O-N 3.04Å |
| 1059 | I | 90.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -50.8 | 176.6 | -68.6 | 168.4 | 0 | 0 | 0 | 110.6 | F1044 L1046 T1055 L1056 R1061 H1062 M1063 L1066 L1069 | F1044-I1059 HydrophobicContact CD1-CD1 4.1Å; F1044-I1059 HydrophobicContact CD1-CG1 4.29Å; F1044-I1059 HydrophobicContact CE1-CD1 4Å; F1044-I1059 HydrophobicContact CE1-CG1 4.05Å; L1046-I1059 HydrophobicContact CD1-CD1 3.84Å; T1055-I1059 HydrophobicContact CG2-CD1 3.86Å; T1055-I1059 HydrophobicContact CG2-CG1 4.4Å; T1055-I1059 PolarHBondContact O-N 2.94Å; L1056-I1059 HydrophobicContact CD1-CD1 4.4Å; L1056-I1059 PolarHBondContact O-N 3.11Å; I1059-R1061 VanDerWaalsContact C-N 3.3Å; I1059-R1061 PolarHBondContact O-N 3.09Å; I1059-H1062 PolarHBondContact O-N 3.49Å; I1059-H1062 VanDerWaalsContact O-N 3.14Å; I1059-M1063 HydrophobicContact CG2-CB 4.41Å; I1059-M1063 HydrophobicContact CG2-SD 4.24Å; I1059-M1063 WeakPolarHBondContact O-CB 3.31Å; I1059-M1063 PolarHBondContact O-N 3.49Å; I1059-L1066 HydrophobicContact CG2-CD2 3.48Å; I1059-L1066 VanDerWaalsContact CG2-CD2 3.48Å; I1059-L1069 HydrophobicContact CD1-CD1 4.47Å |
| 1060 | I | 89.2 | Confident | 91.8 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -41.8 | 179.8 | -64.5 | 159.6 | 0 | 0 | 0 | 111.6 | L1056 L1084 L1085 S1090 S1091 T1092 | L1056-I1060 WeakPolarHBondContact O-CD1 3.29Å; L1056-I1060 VanDerWaalsContact O-CG1 3.29Å; L1056-I1060 WeakPolarHBondContact O-CG1 3.4Å; L1056-I1060 PolarHBondContact O-N 2.73Å; I1060-L1084 HydrophobicContact CD1-CB 4.1Å; I1060-L1084 WeakPolarHBondContact CD1-O 3.36Å; I1060-L1085 HydrophobicContact CD1-CD2 4.44Å; I1060-L1085 HydrophobicContact CG1-CD2 4.25Å; I1060-S1090 WeakPolarHBondContact CG2-OG 3.37Å; I1060-S1091 PolarHBondContact O-OG 3.02Å; I1060-T1092 HydrophobicContact CG1-CG2 4.27Å |
| 1061 | R | 86.1 | Confident | 92 | Very high | 201 Ų | 201 | 42.6 Ų | 42.6 | 76% | 0.758 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.8 | -30.3 | 179.2 | -175.2 | 177.5 | -179.7 | 176.6 | 0.1 | 113.5 | R1057 L1058 I1059 | R1057-R1061 PolarHBondContact O-N 3.03Å; L1058-R1061 PolarHBondContact O-N 3.28Å; I1059-R1061 VanDerWaalsContact C-N 3.3Å; I1059-R1061 PolarHBondContact O-N 3.09Å |
| 1062 | H | 87 | Confident | 92 | Very high | 16 Ų | 16 | 43 Ų | 43 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -117.5 | -11.2 | -165.3 | -65.9 | -53.9 | 0 | 0 | 0 | 115.3 | L1023 R1039 L1058 I1059 | L1023-H1062 HydrophobicContact CB-CB 4.41Å; R1039-H1062 WeakPolarHBondContact CA-O 3.29Å; L1058-H1062 VanDerWaalsContact O-CB 3.28Å; L1058-H1062 WeakPolarHBondContact O-CB 3.48Å; L1058-H1062 PolarHBondContact O-CD2 3.09Å; L1058-H1062 PolarHBondContact O-N 3.04Å; I1059-H1062 PolarHBondContact O-N 3.49Å; I1059-H1062 VanDerWaalsContact O-N 3.14Å |
| 1063 | M | 90.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -128.9 | 69.6 | 179.9 | -57.9 | -172.4 | -175.7 | 0 | 0 | 112.1 | L1023 L1038 M1041 F1044 I1059 L1065 L1066 | L1023-M1063 HydrophobicContact CD2-CE 3.48Å; L1023-M1063 VanDerWaalsContact CD2-CE 3.48Å; L1038-M1063 HydrophobicContact CB-CE 4.02Å; L1038-M1063 HydrophobicContact CD1-CE 3.94Å; M1041-M1063 HydrophobicContact CB-CB 4.22Å; M1041-M1063 HydrophobicContact CB-CE 4.44Å; M1041-M1063 HydrophobicContact CB-CG 3.95Å; M1041-M1063 HydrophobicContact CB-SD 3.61Å; M1041-M1063 HydrophobicContact CG-CE 3.95Å; M1041-M1063 HydrophobicContact CG-CG 4.33Å; M1041-M1063 HydrophobicContact CG-SD 3.77Å; F1044-M1063 HydrophobicContact CB-SD 4.2Å; F1044-M1063 HydrophobicContact CD1-CE 3.49Å; F1044-M1063 VanDerWaalsContact CD1-CE 3.49Å; F1044-M1063 HydrophobicContact CD1-SD 3.59Å; F1044-M1063 VanDerWaalsContact CD1-SD 3.59Å; F1044-M1063 HydrophobicContact CD2-CE 4.26Å; F1044-M1063 HydrophobicContact CE1-CE 3.36Å; F1044-M1063 HydrophobicContact CE1-SD 4.07Å; F1044-M1063 HydrophobicContact CE2-CE 4.19Å; F1044-M1063 HydrophobicContact CG-CE 3.94Å; F1044-M1063 HydrophobicContact CG-SD 3.99Å; F1044-M1063 HydrophobicContact CZ-CE 3.74Å; I1059-M1063 HydrophobicContact CG2-CB 4.41Å; I1059-M1063 HydrophobicContact CG2-SD 4.24Å; I1059-M1063 WeakPolarHBondContact O-CB 3.31Å; I1059-M1063 PolarHBondContact O-N 3.49Å; M1063-L1065 PolarHBondContact O-N 3.39Å; M1063-L1066 HydrophobicContact CB-CB 4.13Å; M1063-L1066 WeakPolarHBondContact O-CB 3.43Å; M1063-L1066 PolarHBondContact O-N 3.01Å; M1063-L1066 HydrophobicContact SD-CD1 4.4Å | ||
| 1064 | P | 88.1 | Confident | 92.1 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 43% | 0.429 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -12 | -174.7 | 29.5 | -36.3 | 0 | 0 | 0 | 114.8 | ||
| 1065 | L | 90.7 | Very high | 92 | Very high | 100 Ų | 100 | 44 Ų | 44 | 52% | 0.524 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 9 | -179 | -58.1 | -178.7 | 0 | 0 | 0 | 113.5 | M1041 M1063 S1067 | M1041-L1065 CarbonylContact O-C 3.48Å; M1063-L1065 PolarHBondContact O-N 3.39Å; L1065-S1067 PolarHBondContact O-N 3.01Å |
| 1066 | L | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -67.8 | 118.4 | -173.4 | -173.8 | 68.6 | 0 | 0 | 0 | 111.4 | M1041 F1044 I1059 M1063 R1068 L1069 T1092 S1095 L1096 | M1041-L1066 HydrophobicContact CB-CD1 4.44Å; M1041-L1066 WeakPolarHBondContact O-CA 3.46Å; M1041-L1066 PolarHBondContact O-N 3.06Å; F1044-L1066 HydrophobicContact CB-CD1 3.7Å; I1059-L1066 HydrophobicContact CG2-CD2 3.48Å; I1059-L1066 VanDerWaalsContact CG2-CD2 3.48Å; M1063-L1066 HydrophobicContact CB-CB 4.13Å; M1063-L1066 WeakPolarHBondContact O-CB 3.43Å; M1063-L1066 PolarHBondContact O-N 3.01Å; M1063-L1066 HydrophobicContact SD-CD1 4.4Å; L1066-R1068 WeakPolarHBondContact CD1-O 3.43Å; L1066-L1069 HydrophobicContact CD2-CB 4.2Å; L1066-L1069 HydrophobicContact CD2-CD1 4.27Å; L1066-L1069 HydrophobicContact CD2-CD2 4.07Å; L1066-L1069 HydrophobicContact CD2-CG 4.41Å; L1066-T1092 HydrophobicContact CD2-CG2 4.46Å; L1066-S1095 CarbonylContact O-C 3.49Å; L1066-S1095 VanDerWaalsContact O-CB 3.28Å; L1066-S1095 WeakPolarHBondContact O-CB 3.41Å; L1066-S1095 PolarHBondContact O-OG 2.97Å; L1066-L1096 HydrophobicContact CD2-CD2 4.41Å; L1066-L1096 HydrophobicContact CG-CD2 4.17Å | ||
| 1067 | S | 94.6 | Very high | 92 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | trans | -107.9 | -24.8 | 178.3 | 59.9 | 0 | 0 | 0 | 0 | 114 | T1042 L1065 S1095 T1097 E1098 | T1042-S1067 PolarHBondContact O-N 3.47Å; T1042-S1067 PolarHBondContact O-OG 3.31Å; T1042-S1067 VanDerWaalsContact O-OG 3.12Å; L1065-S1067 PolarHBondContact O-N 3.01Å; S1067-S1095 VanDerWaalsContact CA-O 3.28Å; S1067-S1095 WeakPolarHBondContact CA-O 3.46Å; S1067-S1095 WeakPolarHBondContact CB-O 3.44Å; S1067-T1097 PolarHBondContact O-N 3.22Å; S1067-T1097 PolarHBondContact O-OG1 2.63Å; S1067-E1098 PolarHBondContact O-N 3.01Å | ||
| 1068 | R | 96.8 | Very high | 92.3 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 34% | 0.336 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.4 | -179.8 | -50 | -166 | -67.8 | -158.1 | -0.2 | 111.3 | T1042 D1043 F1044 L1066 E1098 | T1042-R1068 PolarHBondContact O-N 2.82Å; D1043-R1068 WeakPolarHBondContact CA-O 3.41Å; D1043-R1068 HydrophobicContact CB-CB 4.28Å; D1043-R1068 IonicContact OD2-CZ 2.86Å; D1043-R1068 VanDerWaalsContact OD2-CZ 3.29Å; D1043-R1068 IonicContact OD2-NE 2.88Å; D1043-R1068 PolarHBondContact OD2-NE 3.32Å; D1043-R1068 IonicContact OD2-NH2 3.44Å; D1043-R1068 PolarHBondContact OD2-NH2 3.16Å; F1044-R1068 PolarHBondContact N-O 3.35Å; L1066-R1068 WeakPolarHBondContact CD1-O 3.43Å; R1068-E1098 WeakPolarHBondContact CA-O 3.34Å; R1068-E1098 HydrophobicContact CB-CB 4.17Å; R1068-E1098 WeakPolarHBondContact CD-OE1 3.26Å; R1068-E1098 WeakPolarHBondContact CD-OE2 3.46Å; R1068-E1098 HydrophobicContact CG-CB 3.95Å; R1068-E1098 HydrophobicContact CG-CG 4.09Å; R1068-E1098 IonicContact NH1-OE1 2.94Å |
| 1069 | L | 96.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 117.2 | -175.8 | -179.9 | 52 | 0 | 0 | 0 | 110.7 | F1044 L1056 I1059 L1066 L1071 L1085 L1096 E1098 L1099 N1100 | F1044-L1069 WeakPolarHBondContact O-CA 3.49Å; L1056-L1069 HydrophobicContact CD1-CD2 4.15Å; I1059-L1069 HydrophobicContact CD1-CD1 4.47Å; L1066-L1069 HydrophobicContact CD2-CB 4.2Å; L1066-L1069 HydrophobicContact CD2-CD1 4.27Å; L1066-L1069 HydrophobicContact CD2-CD2 4.07Å; L1066-L1069 HydrophobicContact CD2-CG 4.41Å; L1069-L1071 HydrophobicContact CD1-CD1 4.5Å; L1069-L1071 HydrophobicContact CD1-CD2 3.95Å; L1069-L1071 HydrophobicContact CD1-CG 4.02Å; L1069-L1071 HydrophobicContact CD2-CD1 4Å; L1069-L1071 HydrophobicContact CD2-CG 4.41Å; L1069-L1071 HydrophobicContact CG-CD1 3.98Å; L1069-L1071 HydrophobicContact CG-CD2 4.33Å; L1069-L1071 HydrophobicContact CG-CG 3.89Å; L1069-L1085 HydrophobicContact CD2-CD1 4.06Å; L1069-L1085 HydrophobicContact CD2-CD2 3.95Å; L1069-L1096 HydrophobicContact CB-CD2 3.94Å; L1069-E1098 PolarHBondContact N-O 2.93Å; L1069-L1099 HydrophobicContact CB-CD1 4.13Å; L1069-L1099 HydrophobicContact CD2-CD1 4.28Å; L1069-L1099 HydrophobicContact CG-CD1 4.17Å; L1069-N1100 PolarHBondContact O-N 3.22Å |
| 1070 | D | 96.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.102 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 110.3 | 176.7 | -179.8 | 13.8 | 0 | 0 | 0 | 110.9 | R1009 F1044 R1045 L1046 A1047 S1072 N1100 | R1009-D1070 VanDerWaalsContact CD-OD2 3.26Å; R1009-D1070 WeakPolarHBondContact CD-OD2 3.28Å; F1044-D1070 PolarHBondContact O-N 3.35Å; R1045-D1070 HydrophobicContact CB-CB 3.99Å; R1045-D1070 HydrophobicContact CG-CB 4.04Å; L1046-D1070 PolarHBondContact N-O 3.11Å; A1047-D1070 PolarHBondContact N-O 3.48Å; D1070-S1072 WeakPolarHBondContact OD1-CB 3.18Å; D1070-S1072 PolarHBondContact OD1-N 3.37Å; D1070-S1072 VanDerWaalsContact OD1-N 3.07Å; D1070-S1072 PolarHBondContact OD1-OG 3.33Å; D1070-N1100 HydrophobicContact CB-CB 4.36Å; D1070-N1100 PolarHBondContact OD1-ND2 3.4Å |
| 1071 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -116.3 | 12.4 | -179.9 | -60.9 | 167.5 | 0 | 0 | 0 | 111.5 | L1046 I1051 L1056 L1069 C1074 L1077 L1099 N1100 M1101 C1104 | L1046-L1071 HydrophobicContact CB-CD2 4.29Å; L1046-L1071 HydrophobicContact CD1-CD2 4.09Å; I1051-L1071 HydrophobicContact CD1-CD2 4.07Å; L1056-L1071 HydrophobicContact CD1-CD1 3.98Å; L1069-L1071 HydrophobicContact CD1-CD1 4.5Å; L1069-L1071 HydrophobicContact CD1-CD2 3.95Å; L1069-L1071 HydrophobicContact CD1-CG 4.02Å; L1069-L1071 HydrophobicContact CD2-CD1 4Å; L1069-L1071 HydrophobicContact CD2-CG 4.41Å; L1069-L1071 HydrophobicContact CG-CD1 3.98Å; L1069-L1071 HydrophobicContact CG-CD2 4.33Å; L1069-L1071 HydrophobicContact CG-CG 3.89Å; L1071-C1074 VanDerWaalsContact O-CB 3.27Å; L1071-C1074 WeakPolarHBondContact O-CB 3.22Å; L1071-C1074 PolarHBondContact O-N 3.02Å; L1071-C1074 PolarHBondContact O-SG 3.3Å; L1071-L1077 HydrophobicContact CB-CD1 3.73Å; L1071-L1077 HydrophobicContact CD1-CD1 4.03Å; L1071-L1077 HydrophobicContact CD2-CD1 4.19Å; L1071-L1077 HydrophobicContact CG-CD1 4.19Å; L1071-L1099 HydrophobicContact CD1-CD1 4.29Å; L1071-N1100 PolarHBondContact N-O 2.79Å; L1071-M1101 HydrophobicContact CB-CG 4.3Å; L1071-M1101 HydrophobicContact CD1-CG 4.33Å; L1071-M1101 HydrophobicContact CD1-SD 4.45Å; L1071-C1104 PolarHBondContact O-SG 3.2Å | ||
| 1072 | S | 95.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 145.2 | -173 | 53 | 0 | 0 | 0 | 0 | 113 | A1047 G1048 D1070 C1074 N1100 A1102 | A1047-S1072 CarbonylContact C-O 3.54Å; A1047-S1072 WeakPolarHBondContact CA-O 3.43Å; A1047-S1072 VanDerWaalsContact CB-O 3.25Å; A1047-S1072 WeakPolarHBondContact CB-O 3.22Å; A1047-S1072 WeakPolarHBondContact CB-OG 3.39Å; G1048-S1072 PolarHBondContact N-O 3.4Å; D1070-S1072 WeakPolarHBondContact OD1-CB 3.18Å; D1070-S1072 PolarHBondContact OD1-N 3.37Å; D1070-S1072 VanDerWaalsContact OD1-N 3.07Å; D1070-S1072 PolarHBondContact OD1-OG 3.33Å; S1072-C1074 PolarHBondContact O-N 3.15Å; S1072-N1100 WeakPolarHBondContact CB-ND2 3.35Å; S1072-N1100 PolarHBondContact N-O 3.31Å; S1072-N1100 PolarHBondContact OG-ND2 2.87Å; S1072-A1102 CarbonylContact C-O 3.57Å; S1072-A1102 WeakPolarHBondContact CA-O 3.42Å; S1072-A1102 VanDerWaalsContact CB-O 3.24Å; S1072-A1102 WeakPolarHBondContact CB-O 3.34Å |
| 1073 | H | 94.6 | Very high | 93.4 | Very high | 99 Ų | 99 | 35.5 Ų | 35.5 | 46% | 0.458 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 4.4 | -176.7 | -54 | -76.4 | 0 | 0 | 0 | 116.6 | W1010 S1075 A1102 | W1010-H1073 HydrophobicContact CH2-CB 3.89Å; W1010-H1073 HydrophobicContact CZ2-CB 4.02Å; W1010-H1073 AromaticContact CZ2-CD2 3.99Å; H1073-S1075 PolarHBondContact O-N 3.48Å; H1073-A1102 PolarHBondContact N-O 3.09Å |
| 1074 | C | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -69.5 | 100.7 | 171.6 | -64.4 | 0 | 0 | 0 | 0 | 110 | L1046 L1049 I1051 L1071 S1072 H1076 L1077 C1104 | L1046-C1074 PolarHBondContact O-SG 2.78Å; L1049-C1074 PolarHBondContact O-SG 2.79Å; I1051-C1074 HydrophobicContact CG1-CB 4.06Å; L1071-C1074 VanDerWaalsContact O-CB 3.27Å; L1071-C1074 WeakPolarHBondContact O-CB 3.22Å; L1071-C1074 PolarHBondContact O-N 3.02Å; L1071-C1074 PolarHBondContact O-SG 3.3Å; S1072-C1074 PolarHBondContact O-N 3.15Å; C1074-H1076 PolarHBondContact O-N 3.32Å; C1074-L1077 HydrophobicContact CB-CD1 3.71Å; C1074-L1077 HydrophobicContact CB-CG 3.84Å; C1074-C1104 PolarHBondContact O-SG 2.86Å | ||
| 1075 | S | 88.4 | Confident | 93.6 | Very high | 53 Ų | 53 | 34.1 Ų | 34.1 | 37% | 0.371 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -4.1 | -167.6 | 50.3 | 0 | 0 | 0 | 0 | 115.6 | H1073 K1106 | H1073-S1075 PolarHBondContact O-N 3.48Å; S1075-K1106 WeakPolarHBondContact O-CD 3.45Å; S1075-K1106 WeakPolarHBondContact O-CE 3.31Å |
| 1076 | H | 91.5 | Very high | 93.6 | Very high | 78 Ų | 78 | 29.4 Ų | 29.4 | 36% | 0.361 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -6.1 | -174.4 | -66.6 | -100.7 | 0 | 0 | 0 | 114.6 | D1050 I1051 T1052 C1074 | D1050-H1076 IonicContact OD1-CD2 2.66Å; D1050-H1076 PolarHBondContact OD1-CD2 3.37Å; D1050-H1076 VanDerWaalsContact OD1-CD2 3.22Å; D1050-H1076 IonicContact OD1-CG 3.58Å; D1050-H1076 IonicContact OD1-NE2 2.79Å; I1051-H1076 WeakPolarHBondContact O-CB 3.38Å; T1052-H1076 HydrophobicContact CG2-CB 4.24Å; C1074-H1076 PolarHBondContact O-N 3.32Å |
| 1077 | L | 94.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -70.9 | 143.1 | 172.6 | -53.8 | -176.3 | 0 | 0 | 0 | 111.4 | I1051 T1052 L1056 L1071 C1074 K1106 | I1051-L1077 HydrophobicContact CG1-CD2 4.33Å; I1051-L1077 WeakPolarHBondContact O-CD2 3.39Å; T1052-L1077 VanDerWaalsContact C-CD2 3.44Å; L1056-L1077 HydrophobicContact CD2-CD2 3.85Å; L1071-L1077 HydrophobicContact CB-CD1 3.73Å; L1071-L1077 HydrophobicContact CD1-CD1 4.03Å; L1071-L1077 HydrophobicContact CD2-CD1 4.19Å; L1071-L1077 HydrophobicContact CG-CD1 4.19Å; C1074-L1077 HydrophobicContact CB-CD1 3.71Å; C1074-L1077 HydrophobicContact CB-CG 3.84Å; L1077-K1106 VanDerWaalsContact O-CB 3.28Å; L1077-K1106 WeakPolarHBondContact O-CB 3.38Å | ||
| 1078 | T | 94.7 | Very high | 92.7 | Very high | 43 Ų | 43 | 35.7 Ų | 35.7 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | trans | -121.3 | 178.9 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 110.8 | D1053 Q1080 S1081 K1106 L1107 | D1053-T1078 PolarHBondContact OD1-N 3.06Å; D1053-T1078 WeakPolarHBondContact OD2-CB 3.23Å; D1053-T1078 PolarHBondContact OD2-N 3.41Å; D1053-T1078 PolarHBondContact OD2-OG1 3.29Å; T1078-Q1080 PolarHBondContact O-N 3.37Å; T1078-Q1080 WeakPolarHBondContact OG1-CB 3.43Å; T1078-Q1080 PolarHBondContact OG1-N 3.11Å; T1078-S1081 WeakPolarHBondContact O-CB 3.37Å; T1078-S1081 PolarHBondContact O-N 3.18Å; T1078-K1106 HydrophobicContact CG2-CD 4.45Å; T1078-L1107 VanDerWaalsContact O-CD2 3.31Å; T1078-L1107 WeakPolarHBondContact O-CD2 3.41Å | ||
| 1079 | D | 93.9 | Very high | 91.9 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -14.9 | 174.2 | -58.9 | -51.8 | 0 | 0 | 0 | 113.4 | S1081 S1082 N1083 L1107 T1108 Q1110 T1111 Y1114 | D1079-S1081 VanDerWaalsContact C-N 3.34Å; D1079-S1082 WeakPolarHBondContact O-CB 3.49Å; D1079-S1082 PolarHBondContact O-N 2.69Å; D1079-N1083 PolarHBondContact O-N 3.23Å; D1079-L1107 WeakPolarHBondContact OD1-CA 3.45Å; D1079-T1108 PolarHBondContact OD1-N 3.38Å; D1079-T1108 WeakPolarHBondContact OD2-CB 3.43Å; D1079-T1108 WeakPolarHBondContact OD2-CG2 3.48Å; D1079-T1108 PolarHBondContact OD2-N 3.06Å; D1079-T1108 PolarHBondContact OD2-OG1 3.46Å; D1079-Q1110 HydrophobicContact CB-CB 4.3Å; D1079-Q1110 HydrophobicContact CB-CG 4.44Å; D1079-T1111 WeakPolarHBondContact OD1-CB 3.43Å; D1079-T1111 PolarHBondContact OD1-N 3.31Å; D1079-T1111 PolarHBondContact OD1-OG1 2.98Å; D1079-Y1114 HydrophobicContact CB-CE2 4.26Å; D1079-Y1114 WeakPolarHBondContact O-CD2 3.46Å |
| 1080 | Q | 92.9 | Very high | 91.3 | Very high | 91 Ų | 91 | 35.6 Ų | 35.6 | 43% | 0.425 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.7 | -27.5 | 170.2 | -64.1 | -61.3 | -20.6 | 0 | 0 | 113.4 | D1053 T1078 S1082 N1083 L1084 | D1053-Q1080 HydrophobicContact CB-CB 4.48Å; T1078-Q1080 PolarHBondContact O-N 3.37Å; T1078-Q1080 WeakPolarHBondContact OG1-CB 3.43Å; T1078-Q1080 PolarHBondContact OG1-N 3.11Å; Q1080-S1082 VanDerWaalsContact C-N 3.32Å; Q1080-S1082 PolarHBondContact O-N 3.46Å; Q1080-N1083 PolarHBondContact O-N 2.57Å; Q1080-N1083 PolarHBondContact OE1-ND2 2.96Å; Q1080-L1084 VanDerWaalsContact O-CB 3.31Å; Q1080-L1084 WeakPolarHBondContact O-CB 3.43Å; Q1080-L1084 WeakPolarHBondContact O-CD1 3.38Å; Q1080-L1084 WeakPolarHBondContact O-CG 3.42Å; Q1080-L1084 PolarHBondContact O-N 3.29Å |
| 1081 | S | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 169.3 | -81.4 | 0 | 0 | 0 | 0 | 111 | D1053 T1078 D1079 L1084 L1085 | D1053-S1081 WeakPolarHBondContact OD1-CB 3.33Å; D1053-S1081 PolarHBondContact OD1-N 3.02Å; D1053-S1081 PolarHBondContact OD1-OG 3.16Å; T1078-S1081 WeakPolarHBondContact O-CB 3.37Å; T1078-S1081 PolarHBondContact O-N 3.18Å; D1079-S1081 VanDerWaalsContact C-N 3.34Å; S1081-L1084 PolarHBondContact O-N 2.83Å; S1081-L1085 WeakPolarHBondContact O-CG 3.12Å; S1081-L1085 PolarHBondContact O-N 3.03Å |
| 1082 | S | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.6 | -50.6 | 0 | 0 | 0 | 0 | 111.8 | D1079 Q1080 T1086 T1111 | D1079-S1082 WeakPolarHBondContact O-CB 3.49Å; D1079-S1082 PolarHBondContact O-N 2.69Å; Q1080-S1082 VanDerWaalsContact C-N 3.32Å; Q1080-S1082 PolarHBondContact O-N 3.46Å; S1082-T1086 WeakPolarHBondContact O-CB 3.48Å; S1082-T1086 VanDerWaalsContact O-CG2 3.26Å; S1082-T1086 WeakPolarHBondContact O-CG2 3.13Å; S1082-T1086 PolarHBondContact O-N 2.86Å; S1082-T1086 PolarHBondContact O-OG1 2.55Å; S1082-T1111 VanDerWaalsContact OG-CG2 3.31Å; S1082-T1111 WeakPolarHBondContact OG-CG2 3.45Å; S1082-T1111 PolarHBondContact OG-OG1 2.7Å |
| 1083 | N | 92.8 | Very high | 90 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.5 | -170.9 | 32.4 | 0 | 0 | 0 | 112.7 | D1079 Q1080 T1086 A1087 Y1114 R1117 | D1079-N1083 PolarHBondContact O-N 3.23Å; Q1080-N1083 PolarHBondContact O-N 2.57Å; Q1080-N1083 PolarHBondContact OE1-ND2 2.96Å; N1083-T1086 PolarHBondContact O-N 2.97Å; N1083-T1086 PolarHBondContact O-OG1 3.21Å; N1083-A1087 PolarHBondContact O-N 2.87Å; N1083-Y1114 HydrophobicContact CB-CD1 3.95Å; N1083-Y1114 HydrophobicContact CB-CD2 3.73Å; N1083-Y1114 HydrophobicContact CB-CE1 4.02Å; N1083-Y1114 HydrophobicContact CB-CE2 3.77Å; N1083-Y1114 HydrophobicContact CB-CG 3.82Å; N1083-Y1114 WeakPolarHBondContact OD1-CD1 3.42Å; N1083-Y1114 WeakPolarHBondContact OD1-CE1 3.28Å; N1083-R1117 PolarHBondContact OD1-NH1 3.27Å |
| 1084 | L | 92.3 | Very high | 89.6 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -50.4 | -179.9 | -74.2 | 167.4 | 0 | 0 | 0 | 111.8 | D1053 R1057 I1060 Q1080 S1081 T1086 A1087 | D1053-L1084 HydrophobicContact CB-CD1 4.28Å; D1053-L1084 WeakPolarHBondContact O-CD1 3.19Å; R1057-L1084 HydrophobicContact CG-CD1 3.85Å; R1057-L1084 HydrophobicContact CG-CD2 4.12Å; I1060-L1084 HydrophobicContact CD1-CB 4.1Å; I1060-L1084 WeakPolarHBondContact CD1-O 3.36Å; Q1080-L1084 VanDerWaalsContact O-CB 3.31Å; Q1080-L1084 WeakPolarHBondContact O-CB 3.43Å; Q1080-L1084 WeakPolarHBondContact O-CD1 3.38Å; Q1080-L1084 WeakPolarHBondContact O-CG 3.42Å; Q1080-L1084 PolarHBondContact O-N 3.29Å; S1081-L1084 PolarHBondContact O-N 2.83Å; L1084-T1086 PolarHBondContact O-N 2.89Å; L1084-T1086 VanDerWaalsContact O-N 3.09Å; L1084-A1087 PolarHBondContact O-N 3.47Å |
| 1085 | L | 91.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.7 | -30.1 | 178.5 | -77.9 | 174.9 | 0 | 0 | 0 | 112.7 | L1056 I1060 L1069 S1081 S1090 T1092 R1093 L1096 L1099 | L1056-L1085 HydrophobicContact CD1-CD1 3.94Å; L1056-L1085 HydrophobicContact CD1-CD2 3.79Å; L1056-L1085 HydrophobicContact CD1-CG 3.83Å; I1060-L1085 HydrophobicContact CD1-CD2 4.44Å; I1060-L1085 HydrophobicContact CG1-CD2 4.25Å; L1069-L1085 HydrophobicContact CD2-CD1 4.06Å; L1069-L1085 HydrophobicContact CD2-CD2 3.95Å; S1081-L1085 WeakPolarHBondContact O-CG 3.12Å; S1081-L1085 PolarHBondContact O-N 3.03Å; L1085-S1090 PolarHBondContact O-OG 3.07Å; L1085-T1092 HydrophobicContact CD2-CG2 4.05Å; L1085-T1092 WeakPolarHBondContact CD2-OG1 3.38Å; L1085-T1092 PolarHBondContact O-OG1 3Å; L1085-R1093 PolarHBondContact O-N 2.92Å; L1085-L1096 HydrophobicContact CD1-CD1 4.35Å; L1085-L1096 HydrophobicContact CD2-CD1 4.1Å; L1085-L1099 HydrophobicContact CD1-CD1 4.14Å; L1085-L1099 HydrophobicContact CD1-CD2 4.31Å |
| 1086 | T | 89.1 | Confident | 89.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 9 | -171.7 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | S1082 N1083 L1084 Y1114 L1115 R1117 I1118 | S1082-T1086 WeakPolarHBondContact O-CB 3.48Å; S1082-T1086 VanDerWaalsContact O-CG2 3.26Å; S1082-T1086 WeakPolarHBondContact O-CG2 3.13Å; S1082-T1086 PolarHBondContact O-N 2.86Å; S1082-T1086 PolarHBondContact O-OG1 2.55Å; N1083-T1086 PolarHBondContact O-N 2.97Å; N1083-T1086 PolarHBondContact O-OG1 3.21Å; L1084-T1086 PolarHBondContact O-N 2.89Å; L1084-T1086 VanDerWaalsContact O-N 3.09Å; T1086-Y1114 WeakPolarHBondContact CB-O 3.31Å; T1086-Y1114 PolarHBondContact OG1-O 3.17Å; T1086-Y1114 VanDerWaalsContact OG1-O 3.09Å; T1086-L1115 HydrophobicContact CG2-CD2 4.2Å; T1086-R1117 VanDerWaalsContact O-CD 3.25Å; T1086-R1117 WeakPolarHBondContact O-CD 3.36Å; T1086-I1118 HydrophobicContact CG2-CD1 3.74Å; T1086-I1118 HydrophobicContact CG2-CG1 3.43Å; T1086-I1118 VanDerWaalsContact CG2-CG1 3.43Å |
| 1087 | A | 88.4 | Confident | 89.6 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -61.7 | 155.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1083 L1084 G1089 S1090 | N1083-A1087 PolarHBondContact O-N 2.87Å; L1084-A1087 PolarHBondContact O-N 3.47Å; A1087-G1089 PolarHBondContact O-N 3.3Å; A1087-S1090 VanDerWaalsContact O-CB 3.23Å; A1087-S1090 WeakPolarHBondContact O-CB 3.23Å; A1087-S1090 PolarHBondContact O-N 3.07Å |
| 1088 | V | 81.3 | Confident | 89.6 | Confident | 131 Ų | 131 | 40.8 Ų | 40.8 | 79% | 0.794 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 130.4 | 169.4 | -174 | 0 | 0 | 0 | 0 | 108.3 | S1090 | V1088-S1090 VanDerWaalsContact C-N 3.33Š|
| 1089 | G | 79.4 | Confident | 89.6 | Confident | 84 Ų | 84 | 38.8 Ų | 38.8 | 87% | 0.866 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -4.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1087 | A1087-G1089 PolarHBondContact O-N 3.3Š|
| 1090 | S | 85.4 | Confident | 89.7 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | trans | -73.5 | 128.1 | 171.7 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | I1060 L1085 A1087 V1088 T1092 R1093 | I1060-S1090 WeakPolarHBondContact CG2-OG 3.37Å; L1085-S1090 PolarHBondContact O-OG 3.07Å; A1087-S1090 VanDerWaalsContact O-CB 3.23Å; A1087-S1090 WeakPolarHBondContact O-CB 3.23Å; A1087-S1090 PolarHBondContact O-N 3.07Å; V1088-S1090 VanDerWaalsContact C-N 3.33Å; S1090-T1092 VanDerWaalsContact C-N 3.33Å; S1090-T1092 PolarHBondContact O-N 2.72Å; S1090-T1092 PolarHBondContact OG-OG1 2.64Å; S1090-R1093 WeakPolarHBondContact O-CB 3.47Å; S1090-R1093 PolarHBondContact O-N 2.83Å | ||
| 1091 | S | 85.1 | Confident | 89.8 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -44.3 | 174.2 | 49.4 | 0 | 0 | 0 | 0 | 112 | I1060 R1093 Y1094 | I1060-S1091 PolarHBondContact O-OG 3.02Å; S1091-R1093 PolarHBondContact O-N 3.15Å; S1091-R1093 VanDerWaalsContact O-N 3.1Å; S1091-Y1094 PolarHBondContact O-N 3Å |
| 1092 | T | 87.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -16.4 | -176.1 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | I1060 L1066 L1085 S1090 Y1094 S1095 L1096 | I1060-T1092 HydrophobicContact CG1-CG2 4.27Å; L1066-T1092 HydrophobicContact CD2-CG2 4.46Å; L1085-T1092 HydrophobicContact CD2-CG2 4.05Å; L1085-T1092 WeakPolarHBondContact CD2-OG1 3.38Å; L1085-T1092 PolarHBondContact O-OG1 3Å; S1090-T1092 VanDerWaalsContact C-N 3.33Å; S1090-T1092 PolarHBondContact O-N 2.72Å; S1090-T1092 PolarHBondContact OG-OG1 2.64Å; T1092-Y1094 VanDerWaalsContact C-N 3.25Å; T1092-Y1094 PolarHBondContact O-N 3.15Å; T1092-S1095 WeakPolarHBondContact CA-OG 3.21Å; T1092-L1096 HydrophobicContact CG2-CD1 4.38Å; T1092-L1096 HydrophobicContact CG2-CG 4.36Å; T1092-L1096 WeakPolarHBondContact O-CB 3.31Å; T1092-L1096 WeakPolarHBondContact O-CG 3.1Å; T1092-L1096 PolarHBondContact O-N 2.87Å; T1092-L1096 VanDerWaalsContact O-N 3.14Å |
| 1093 | R | 87.7 | Confident | 89.8 | Confident | 54 Ų | 54 | 36 Ų | 36 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -29.9 | -178.5 | -175.3 | 179.4 | 173.5 | -161.3 | -7.3 | 113.3 | L1085 S1090 S1091 R1117 A1119 | L1085-R1093 PolarHBondContact O-N 2.92Å; S1090-R1093 WeakPolarHBondContact O-CB 3.47Å; S1090-R1093 PolarHBondContact O-N 2.83Å; S1091-R1093 PolarHBondContact O-N 3.15Å; S1091-R1093 VanDerWaalsContact O-N 3.1Å; R1093-R1117 WeakPolarHBondContact CG-O 3.5Å; R1093-R1117 PolarHBondContact NE-O 2.84Å; R1093-A1119 PolarHBondContact O-N 3.3Å |
| 1094 | Y | 86 | Confident | 89.8 | Confident | 137 Ų | 137 | 34.1 Ų | 34.1 | 54% | 0.537 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -110.3 | -21.7 | -179.9 | -57.4 | -68 | 0 | 0 | 0 | 113.2 | S1091 T1092 A1119 N1120 | S1091-Y1094 PolarHBondContact O-N 3Å; T1092-Y1094 VanDerWaalsContact C-N 3.25Å; T1092-Y1094 PolarHBondContact O-N 3.15Å; Y1094-A1119 HydrophobicContact CD1-CB 3.98Å; Y1094-A1119 HydrophobicContact CE1-CB 4.42Å; Y1094-N1120 PolarHBondContact O-ND2 3.24Å |
| 1095 | S | 89.5 | Confident | 89.7 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -87.7 | -30.4 | -179.5 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | L1066 S1067 T1092 T1097 | L1066-S1095 CarbonylContact O-C 3.49Å; L1066-S1095 VanDerWaalsContact O-CB 3.28Å; L1066-S1095 WeakPolarHBondContact O-CB 3.41Å; L1066-S1095 PolarHBondContact O-OG 2.97Å; S1067-S1095 VanDerWaalsContact CA-O 3.28Å; S1067-S1095 WeakPolarHBondContact CA-O 3.46Å; S1067-S1095 WeakPolarHBondContact CB-O 3.44Å; T1092-S1095 WeakPolarHBondContact CA-OG 3.21Å; S1095-T1097 PolarHBondContact O-N 3.46Å |
| 1096 | L | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | trans | -69.5 | 125.5 | -177.2 | -75.8 | 178 | 0 | 0 | 0 | 112.6 | L1066 L1069 L1085 T1092 | L1066-L1096 HydrophobicContact CD2-CD2 4.41Å; L1066-L1096 HydrophobicContact CG-CD2 4.17Å; L1069-L1096 HydrophobicContact CB-CD2 3.94Å; L1085-L1096 HydrophobicContact CD1-CD1 4.35Å; L1085-L1096 HydrophobicContact CD2-CD1 4.1Å; T1092-L1096 HydrophobicContact CG2-CD1 4.38Å; T1092-L1096 HydrophobicContact CG2-CG 4.36Å; T1092-L1096 WeakPolarHBondContact O-CB 3.31Å; T1092-L1096 WeakPolarHBondContact O-CG 3.1Å; T1092-L1096 PolarHBondContact O-N 2.87Å; T1092-L1096 VanDerWaalsContact O-N 3.14Å | ||
| 1097 | T | 92.7 | Very high | 90 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | trans | -110.8 | -39.6 | 172.8 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | S1067 S1095 T1122 L1123 | S1067-T1097 PolarHBondContact O-N 3.22Å; S1067-T1097 PolarHBondContact O-OG1 2.63Å; S1095-T1097 PolarHBondContact O-N 3.46Å; T1097-T1122 PolarHBondContact O-N 2.64Å; T1097-T1122 PolarHBondContact O-OG1 3.47Å; T1097-T1122 VanDerWaalsContact O-OG1 3.12Å; T1097-L1123 PolarHBondContact O-N 3.19Å | ||
| 1098 | E | 94.8 | Very high | 90.2 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 33% | 0.327 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.7 | 179.7 | -57.5 | 177.3 | -141.7 | 0 | 0 | 111.1 | S1067 R1068 L1069 L1123 | S1067-E1098 PolarHBondContact O-N 3.01Å; R1068-E1098 WeakPolarHBondContact CA-O 3.34Å; R1068-E1098 HydrophobicContact CB-CB 4.17Å; R1068-E1098 WeakPolarHBondContact CD-OE1 3.26Å; R1068-E1098 WeakPolarHBondContact CD-OE2 3.46Å; R1068-E1098 HydrophobicContact CG-CB 3.95Å; R1068-E1098 HydrophobicContact CG-CG 4.09Å; R1068-E1098 IonicContact NH1-OE1 2.94Å; L1069-E1098 PolarHBondContact N-O 2.93Å; E1098-L1123 WeakPolarHBondContact CA-O 3.38Å; E1098-L1123 HydrophobicContact CG-CB 4.25Å |
| 1099 | L | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 112.3 | 176.2 | 179.9 | 61.5 | 0 | 0 | 0 | 110.9 | L1069 L1071 L1085 M1101 L1115 L1123 I1124 D1125 | L1069-L1099 HydrophobicContact CB-CD1 4.13Å; L1069-L1099 HydrophobicContact CD2-CD1 4.28Å; L1069-L1099 HydrophobicContact CG-CD1 4.17Å; L1071-L1099 HydrophobicContact CD1-CD1 4.29Å; L1085-L1099 HydrophobicContact CD1-CD1 4.14Å; L1085-L1099 HydrophobicContact CD1-CD2 4.31Å; L1099-M1101 HydrophobicContact CD1-CG 4.04Å; L1099-M1101 HydrophobicContact CD1-SD 4.31Å; L1099-M1101 HydrophobicContact CD2-CE 3.82Å; L1099-M1101 HydrophobicContact CD2-SD 4.14Å; L1099-M1101 HydrophobicContact CG-CE 4.28Å; L1099-M1101 HydrophobicContact CG-CG 4.06Å; L1099-M1101 HydrophobicContact CG-SD 4.3Å; L1099-L1115 HydrophobicContact CD2-CD1 4.48Å; L1099-L1115 HydrophobicContact CD2-CD2 3.56Å; L1099-L1123 PolarHBondContact N-O 3.49Å; L1099-I1124 WeakPolarHBondContact O-CA 3.44Å; L1099-D1125 PolarHBondContact O-N 3.2Å |
| 1100 | N | 95.2 | Very high | 91.4 | Very high | 35 Ų | 35 | 36 Ų | 36 | 19% | 0.187 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.6 | 173.9 | -179.4 | 10.5 | 0 | 0 | 0 | 110.2 | L1069 D1070 L1071 S1072 A1102 D1125 | L1069-N1100 PolarHBondContact O-N 3.22Å; D1070-N1100 HydrophobicContact CB-CB 4.36Å; D1070-N1100 PolarHBondContact OD1-ND2 3.4Å; L1071-N1100 PolarHBondContact N-O 2.79Å; S1072-N1100 WeakPolarHBondContact CB-ND2 3.35Å; S1072-N1100 PolarHBondContact N-O 3.31Å; S1072-N1100 PolarHBondContact OG-ND2 2.87Å; N1100-A1102 VanDerWaalsContact OD1-CB 3.22Å; N1100-A1102 WeakPolarHBondContact OD1-CB 3.49Å; N1100-A1102 PolarHBondContact OD1-N 3.25Å; N1100-D1125 HydrophobicContact CB-CB 4.28Å; N1100-D1125 WeakPolarHBondContact OD1-CB 3.3Å |
| 1101 | M | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -129.3 | 23.5 | 172.8 | -57.1 | -172.2 | -67 | 0 | 0 | 111.5 | L1071 L1099 G1103 C1104 L1107 T1111 L1115 D1125 L1126 C1129 | L1071-M1101 HydrophobicContact CB-CG 4.3Å; L1071-M1101 HydrophobicContact CD1-CG 4.33Å; L1071-M1101 HydrophobicContact CD1-SD 4.45Å; L1099-M1101 HydrophobicContact CD1-CG 4.04Å; L1099-M1101 HydrophobicContact CD1-SD 4.31Å; L1099-M1101 HydrophobicContact CD2-CE 3.82Å; L1099-M1101 HydrophobicContact CD2-SD 4.14Å; L1099-M1101 HydrophobicContact CG-CE 4.28Å; L1099-M1101 HydrophobicContact CG-CG 4.06Å; L1099-M1101 HydrophobicContact CG-SD 4.3Å; M1101-G1103 PolarHBondContact O-N 3.35Å; M1101-C1104 VanDerWaalsContact O-CB 3.3Å; M1101-C1104 WeakPolarHBondContact O-CB 3.42Å; M1101-C1104 PolarHBondContact O-N 3.01Å; M1101-C1104 PolarHBondContact O-SG 3.09Å; M1101-C1104 VanDerWaalsContact O-SG 3.4Å; M1101-L1107 HydrophobicContact CB-CD1 3.7Å; M1101-L1107 HydrophobicContact CE-CD1 3.9Å; M1101-L1107 HydrophobicContact CG-CD1 4.37Å; M1101-L1107 HydrophobicContact SD-CD1 3.87Å; M1101-T1111 HydrophobicContact CE-CG2 3.84Å; M1101-L1115 HydrophobicContact CE-CD1 3.98Å; M1101-D1125 CarbonylContact C-O 3.52Å; M1101-D1125 PolarHBondContact N-O 3.47Å; M1101-L1126 HydrophobicContact CB-CD2 4.21Å; M1101-L1126 HydrophobicContact CE-CD2 3.89Å; M1101-C1129 PolarHBondContact O-SG 2.81Å | ||
| 1102 | A | 93.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 8% | 0.083 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 136.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | S1072 H1073 N1100 C1104 D1125 R1127 | S1072-A1102 CarbonylContact C-O 3.57Å; S1072-A1102 WeakPolarHBondContact CA-O 3.42Å; S1072-A1102 VanDerWaalsContact CB-O 3.24Å; S1072-A1102 WeakPolarHBondContact CB-O 3.34Å; H1073-A1102 PolarHBondContact N-O 3.09Å; N1100-A1102 VanDerWaalsContact OD1-CB 3.22Å; N1100-A1102 WeakPolarHBondContact OD1-CB 3.49Å; N1100-A1102 PolarHBondContact OD1-N 3.25Å; A1102-C1104 VanDerWaalsContact C-N 3.26Å; A1102-C1104 PolarHBondContact O-N 3.35Å; A1102-D1125 PolarHBondContact N-O 2.72Å; A1102-D1125 VanDerWaalsContact N-O 3.15Å; A1102-R1127 CarbonylContact C-O 3.58Å; A1102-R1127 WeakPolarHBondContact CA-O 3.31Å; A1102-R1127 HydrophobicContact CB-CB 4.44Å; A1102-R1127 VanDerWaalsContact CB-O 3.31Å; A1102-R1127 WeakPolarHBondContact CB-O 3.44Å |
| 1103 | G | 91.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 4.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | M1101 N1105 R1127 | M1101-G1103 PolarHBondContact O-N 3.35Å; G1103-N1105 PolarHBondContact O-N 2.88Å; G1103-N1105 PolarHBondContact O-ND2 3.14Å; G1103-R1127 PolarHBondContact N-O 3.12Å |
| 1104 | C | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | trans | -72.2 | 87.6 | 171.9 | -70.6 | 0 | 0 | 0 | 0 | 110.7 | L1071 C1074 M1101 A1102 K1106 L1107 | L1071-C1104 PolarHBondContact O-SG 3.2Å; C1074-C1104 PolarHBondContact O-SG 2.86Å; M1101-C1104 VanDerWaalsContact O-CB 3.3Å; M1101-C1104 WeakPolarHBondContact O-CB 3.42Å; M1101-C1104 PolarHBondContact O-N 3.01Å; M1101-C1104 PolarHBondContact O-SG 3.09Å; M1101-C1104 VanDerWaalsContact O-SG 3.4Å; A1102-C1104 VanDerWaalsContact C-N 3.26Å; A1102-C1104 PolarHBondContact O-N 3.35Å; C1104-K1106 PolarHBondContact O-N 2.81Å; C1104-L1107 HydrophobicContact CB-CD1 3.69Å; C1104-L1107 HydrophobicContact CB-CG 3.76Å; C1104-L1107 PolarHBondContact O-N 3.48Å; C1104-L1107 VanDerWaalsContact O-N 3.14Å | ||
| 1105 | N | 89.4 | Confident | 92.5 | Very high | 67 Ų | 67 | 31.9 Ų | 31.9 | 36% | 0.358 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -14.2 | -170 | -68.9 | -84.3 | 0 | 0 | 0 | 116.1 | G1103 K1130 Q1131 | G1103-N1105 PolarHBondContact O-N 2.88Å; G1103-N1105 PolarHBondContact O-ND2 3.14Å; N1105-K1130 WeakPolarHBondContact OD1-CD 3.18Å; N1105-K1130 WeakPolarHBondContact OD1-CE 3.42Å; N1105-Q1131 PolarHBondContact O-NE2 3.34Å |
| 1106 | K | 91.9 | Very high | 92.3 | Very high | 91 Ų | 91 | 36.1 Ų | 36.1 | 40% | 0.396 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -2.4 | -179.2 | -69.1 | -176.5 | -173 | 178.7 | 0 | 114.6 | S1075 L1077 T1078 C1104 | S1075-K1106 WeakPolarHBondContact O-CD 3.45Å; S1075-K1106 WeakPolarHBondContact O-CE 3.31Å; L1077-K1106 VanDerWaalsContact O-CB 3.28Å; L1077-K1106 WeakPolarHBondContact O-CB 3.38Å; T1078-K1106 HydrophobicContact CG2-CD 4.45Å; C1104-K1106 PolarHBondContact O-N 2.81Å |
| 1107 | L | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -80.3 | 136.5 | 173.2 | -54.9 | -176.3 | 0 | 0 | 0 | 110.3 | T1078 D1079 M1101 C1104 Q1131 I1132 | T1078-L1107 VanDerWaalsContact O-CD2 3.31Å; T1078-L1107 WeakPolarHBondContact O-CD2 3.41Å; D1079-L1107 WeakPolarHBondContact OD1-CA 3.45Å; M1101-L1107 HydrophobicContact CB-CD1 3.7Å; M1101-L1107 HydrophobicContact CE-CD1 3.9Å; M1101-L1107 HydrophobicContact CG-CD1 4.37Å; M1101-L1107 HydrophobicContact SD-CD1 3.87Å; C1104-L1107 HydrophobicContact CB-CD1 3.69Å; C1104-L1107 HydrophobicContact CB-CG 3.76Å; C1104-L1107 PolarHBondContact O-N 3.48Å; C1104-L1107 VanDerWaalsContact O-N 3.14Å; L1107-Q1131 WeakPolarHBondContact O-CB 3.1Å; L1107-I1132 HydrophobicContact CB-CD1 3.98Å; L1107-I1132 HydrophobicContact CB-CG1 4.4Å | ||
| 1108 | T | 94.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 39 Ų | 39 | 26% | 0.258 | 19% | 0.185 | S | C | . | . | B | Isolated β-bridge | trans | -115.9 | 178.2 | 179.2 | 74.8 | 0 | 0 | 0 | 0 | 110.9 | D1079 Q1110 T1111 Q1131 | D1079-T1108 PolarHBondContact OD1-N 3.38Å; D1079-T1108 WeakPolarHBondContact OD2-CB 3.43Å; D1079-T1108 WeakPolarHBondContact OD2-CG2 3.48Å; D1079-T1108 PolarHBondContact OD2-N 3.06Å; D1079-T1108 PolarHBondContact OD2-OG1 3.46Å; T1108-Q1110 PolarHBondContact O-N 3.23Å; T1108-Q1110 WeakPolarHBondContact OG1-CB 3.48Å; T1108-Q1110 PolarHBondContact OG1-N 2.85Å; T1108-T1111 WeakPolarHBondContact O-CB 3.17Å; T1108-T1111 PolarHBondContact O-N 3.36Å; T1108-Q1131 WeakPolarHBondContact CA-O 3.28Å; T1108-Q1131 HydrophobicContact CG2-CB 4.08Å |
| 1109 | D | 94.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 38.5 Ų | 38.5 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -22.6 | 173.8 | -72.8 | -18.6 | 0 | 0 | 0 | 113.5 | T1111 L1112 I1132 T1133 A1136 | D1109-T1111 PolarHBondContact O-N 2.92Å; D1109-L1112 PolarHBondContact O-N 3.47Å; D1109-L1112 VanDerWaalsContact O-N 3.15Å; D1109-I1132 VanDerWaalsContact OD1-CA 3.22Å; D1109-I1132 WeakPolarHBondContact OD1-CA 3.45Å; D1109-T1133 PolarHBondContact OD1-N 3.29Å; D1109-T1133 PolarHBondContact OD1-OG1 3.05Å; D1109-T1133 WeakPolarHBondContact OD2-CB 3.33Å; D1109-T1133 VanDerWaalsContact OD2-CG2 3.28Å; D1109-T1133 WeakPolarHBondContact OD2-CG2 3.36Å; D1109-T1133 PolarHBondContact OD2-OG1 2.78Å; D1109-A1136 HydrophobicContact CB-CB 3.83Å; D1109-A1136 WeakPolarHBondContact OD1-CB 3.14Å |
| 1110 | Q | 91.9 | Very high | 90.4 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.36 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.9 | -28.6 | 173.4 | -168.4 | 64.1 | 34.1 | 0 | 0 | 113.1 | D1079 T1108 L1112 I1113 Y1114 | D1079-Q1110 HydrophobicContact CB-CB 4.3Å; D1079-Q1110 HydrophobicContact CB-CG 4.44Å; T1108-Q1110 PolarHBondContact O-N 3.23Å; T1108-Q1110 WeakPolarHBondContact OG1-CB 3.48Å; T1108-Q1110 PolarHBondContact OG1-N 2.85Å; Q1110-L1112 VanDerWaalsContact C-N 3.32Å; Q1110-L1112 PolarHBondContact O-N 3.02Å; Q1110-I1113 PolarHBondContact O-N 2.99Å; Q1110-Y1114 HydrophobicContact CG-CD2 4.46Å; Q1110-Y1114 HydrophobicContact CG-CE2 3.72Å; Q1110-Y1114 WeakPolarHBondContact O-CD2 3.32Å; Q1110-Y1114 PolarHBondContact O-N 3.43Å |
| 1111 | T | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -43.4 | 174.4 | -94.3 | 0 | 0 | 0 | 0 | 112 | D1079 S1082 M1101 T1108 D1109 I1113 Y1114 L1115 | D1079-T1111 WeakPolarHBondContact OD1-CB 3.43Å; D1079-T1111 PolarHBondContact OD1-N 3.31Å; D1079-T1111 PolarHBondContact OD1-OG1 2.98Å; S1082-T1111 VanDerWaalsContact OG-CG2 3.31Å; S1082-T1111 WeakPolarHBondContact OG-CG2 3.45Å; S1082-T1111 PolarHBondContact OG-OG1 2.7Å; M1101-T1111 HydrophobicContact CE-CG2 3.84Å; T1108-T1111 WeakPolarHBondContact O-CB 3.17Å; T1108-T1111 PolarHBondContact O-N 3.36Å; D1109-T1111 PolarHBondContact O-N 2.92Å; T1111-I1113 VanDerWaalsContact C-N 3.3Å; T1111-I1113 PolarHBondContact O-N 3.27Å; T1111-Y1114 PolarHBondContact O-N 3.13Å; T1111-Y1114 VanDerWaalsContact O-N 3.11Å; T1111-L1115 HydrophobicContact CG2-CD1 3.61Å; T1111-L1115 HydrophobicContact CG2-CG 4.11Å; T1111-L1115 WeakPolarHBondContact O-CG 3.49Å; T1111-L1115 PolarHBondContact O-N 3.5Å |
| 1112 | L | 91.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.9 | -35.4 | -176.8 | -70.2 | 166.3 | 0 | 0 | 0 | 111.8 | D1109 Q1110 Y1114 L1115 R1116 L1126 I1132 A1136 F1140 I1158 | D1109-L1112 PolarHBondContact O-N 3.47Å; D1109-L1112 VanDerWaalsContact O-N 3.15Å; Q1110-L1112 VanDerWaalsContact C-N 3.32Å; Q1110-L1112 PolarHBondContact O-N 3.02Å; L1112-Y1114 VanDerWaalsContact C-N 3.26Å; L1112-Y1114 PolarHBondContact O-N 3.49Å; L1112-L1115 PolarHBondContact O-N 3.28Å; L1112-R1116 PolarHBondContact O-N 3.07Å; L1112-R1116 VanDerWaalsContact O-N 3.11Å; L1112-L1126 HydrophobicContact CD2-CD1 3.62Å; L1112-L1126 HydrophobicContact CG-CD1 4.3Å; L1112-I1132 HydrophobicContact CD1-CG2 4.09Å; L1112-A1136 HydrophobicContact CD1-CB 3.68Å; L1112-F1140 HydrophobicContact CB-CB 4.3Å; L1112-F1140 HydrophobicContact CB-CD2 3.84Å; L1112-F1140 HydrophobicContact CB-CE2 4.45Å; L1112-F1140 HydrophobicContact CB-CG 4.25Å; L1112-F1140 HydrophobicContact CD1-CB 4.43Å; L1112-F1140 HydrophobicContact CD2-CB 4.19Å; L1112-F1140 HydrophobicContact CD2-CD1 4Å; L1112-F1140 HydrophobicContact CD2-CD2 3.93Å; L1112-F1140 HydrophobicContact CD2-CE1 4.31Å; L1112-F1140 HydrophobicContact CD2-CE2 4.23Å; L1112-F1140 HydrophobicContact CD2-CG 3.79Å; L1112-F1140 HydrophobicContact CD2-CZ 4.41Å; L1112-F1140 HydrophobicContact CG-CD2 4.48Å; L1112-F1140 WeakPolarHBondContact O-CD2 3.34Å; L1112-F1140 VanDerWaalsContact O-CE2 3.23Å; L1112-F1140 WeakPolarHBondContact O-CE2 3.38Å; L1112-I1158 HydrophobicContact CD2-CD1 4.06Å |
| 1113 | I | 89.8 | Confident | 89.8 | Confident | 104 Ų | 104 | 45.7 Ų | 45.7 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -36.6 | 175.6 | -57.4 | 178.2 | 0 | 0 | 0 | 111.1 | Q1110 T1111 | Q1110-I1113 PolarHBondContact O-N 2.99Å; T1111-I1113 VanDerWaalsContact C-N 3.3Å; T1111-I1113 PolarHBondContact O-N 3.27Å |
| 1114 | Y | 91.1 | Very high | 89.9 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.8 | -41.6 | 174.2 | -60.7 | -49.9 | 0 | 0 | 0 | 112.6 | D1079 N1083 T1086 Q1110 T1111 L1112 R1116 R1117 | D1079-Y1114 HydrophobicContact CB-CE2 4.26Å; D1079-Y1114 WeakPolarHBondContact O-CD2 3.46Å; N1083-Y1114 HydrophobicContact CB-CD1 3.95Å; N1083-Y1114 HydrophobicContact CB-CD2 3.73Å; N1083-Y1114 HydrophobicContact CB-CE1 4.02Å; N1083-Y1114 HydrophobicContact CB-CE2 3.77Å; N1083-Y1114 HydrophobicContact CB-CG 3.82Å; N1083-Y1114 WeakPolarHBondContact OD1-CD1 3.42Å; N1083-Y1114 WeakPolarHBondContact OD1-CE1 3.28Å; T1086-Y1114 WeakPolarHBondContact CB-O 3.31Å; T1086-Y1114 PolarHBondContact OG1-O 3.17Å; T1086-Y1114 VanDerWaalsContact OG1-O 3.09Å; Q1110-Y1114 HydrophobicContact CG-CD2 4.46Å; Q1110-Y1114 HydrophobicContact CG-CE2 3.72Å; Q1110-Y1114 WeakPolarHBondContact O-CD2 3.32Å; Q1110-Y1114 PolarHBondContact O-N 3.43Å; T1111-Y1114 PolarHBondContact O-N 3.13Å; T1111-Y1114 VanDerWaalsContact O-N 3.11Å; L1112-Y1114 VanDerWaalsContact C-N 3.26Å; L1112-Y1114 PolarHBondContact O-N 3.49Å; Y1114-R1116 PolarHBondContact O-N 3.21Å; Y1114-R1117 WeakPolarHBondContact O-CB 3.43Å; Y1114-R1117 WeakPolarHBondContact O-CG 3.47Å; Y1114-R1117 PolarHBondContact O-N 2.95Å; Y1114-R1117 VanDerWaalsContact O-N 3.15Å |
| 1115 | L | 89.8 | Confident | 89.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -24 | 179.6 | -65.3 | 178.5 | 0 | 0 | 0 | 113.4 | T1086 L1099 M1101 T1111 L1112 R1117 I1118 I1124 F1140 | T1086-L1115 HydrophobicContact CG2-CD2 4.2Å; L1099-L1115 HydrophobicContact CD2-CD1 4.48Å; L1099-L1115 HydrophobicContact CD2-CD2 3.56Å; M1101-L1115 HydrophobicContact CE-CD1 3.98Å; T1111-L1115 HydrophobicContact CG2-CD1 3.61Å; T1111-L1115 HydrophobicContact CG2-CG 4.11Å; T1111-L1115 WeakPolarHBondContact O-CG 3.49Å; T1111-L1115 PolarHBondContact O-N 3.5Å; L1112-L1115 PolarHBondContact O-N 3.28Å; L1115-R1117 PolarHBondContact O-N 2.92Å; L1115-I1118 HydrophobicContact CD2-CD1 3.77Å; L1115-I1118 PolarHBondContact O-N 2.63Å; L1115-I1124 HydrophobicContact CD1-CD1 4.25Å; L1115-I1124 HydrophobicContact CD1-CG2 3.99Å; L1115-F1140 HydrophobicContact CB-CE2 3.91Å; L1115-F1140 HydrophobicContact CB-CZ 4.04Å |
| 1116 | R | 85.1 | Confident | 90.1 | Very high | 118 Ų | 118 | 42.8 Ų | 42.8 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.5 | 174.9 | -176.4 | 175.7 | 177.3 | 163.7 | 10.9 | 113.5 | L1112 Y1114 F1140 D1143 L1144 | L1112-R1116 PolarHBondContact O-N 3.07Å; L1112-R1116 VanDerWaalsContact O-N 3.11Å; Y1114-R1116 PolarHBondContact O-N 3.21Å; R1116-F1140 HydrophobicContact CB-CE2 4.23Å; R1116-D1143 IonicContact CZ-OD1 3.67Å; R1116-D1143 IonicContact CZ-OD2 3.85Å; R1116-D1143 IonicContact NH1-OD1 2.92Å; R1116-D1143 PolarHBondContact NH1-OD1 3.17Å; R1116-D1143 IonicContact NH1-OD2 3.96Å; R1116-D1143 PolarHBondContact NH1-OD2 3.14Å; R1116-D1143 IonicContact NH2-OD1 2.78Å; R1116-D1143 PolarHBondContact NH2-OD1 2.85Å; R1116-L1144 HydrophobicContact CG-CD2 4.42Å |
| 1117 | R | 87.4 | Confident | 90.1 | Very high | 94 Ų | 94 | 42.8 Ų | 42.8 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10 | 178.5 | -58.1 | 171.1 | -177.1 | 158.3 | -4.1 | 114.2 | N1083 T1086 R1093 Y1114 L1115 | N1083-R1117 PolarHBondContact OD1-NH1 3.27Å; T1086-R1117 VanDerWaalsContact O-CD 3.25Å; T1086-R1117 WeakPolarHBondContact O-CD 3.36Å; R1093-R1117 WeakPolarHBondContact CG-O 3.5Å; R1093-R1117 PolarHBondContact NE-O 2.84Å; Y1114-R1117 WeakPolarHBondContact O-CB 3.43Å; Y1114-R1117 WeakPolarHBondContact O-CG 3.47Å; Y1114-R1117 PolarHBondContact O-N 2.95Å; Y1114-R1117 VanDerWaalsContact O-N 3.15Å; L1115-R1117 PolarHBondContact O-N 2.92Å |
| 1118 | I | 84.3 | Confident | 89.8 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | trans | -78.1 | 131.8 | 177.9 | -56.4 | 175.4 | 0 | 0 | 0 | 109.4 | T1086 L1115 V1121 | T1086-I1118 HydrophobicContact CG2-CD1 3.74Å; T1086-I1118 HydrophobicContact CG2-CG1 3.43Å; T1086-I1118 VanDerWaalsContact CG2-CG1 3.43Å; L1115-I1118 HydrophobicContact CD2-CD1 3.77Å; L1115-I1118 PolarHBondContact O-N 2.63Å; I1118-V1121 HydrophobicContact CB-CB 4.44Å; I1118-V1121 HydrophobicContact CG2-CB 3.91Å | ||
| 1119 | A | 78 | Confident | 89.7 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 48% | 0.479 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -84.2 | -38.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | R1093 Y1094 | R1093-A1119 PolarHBondContact O-N 3.3Å; Y1094-A1119 HydrophobicContact CD1-CB 3.98Å; Y1094-A1119 HydrophobicContact CE1-CB 4.42Å |
| 1120 | N | 85.1 | Confident | 89.4 | Confident | 90 Ų | 90 | 49 Ų | 49 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -113.7 | 20.4 | -162.6 | -67.3 | -32.3 | 0 | 0 | 0 | 114 | Y1094 | Y1094-N1120 PolarHBondContact O-ND2 3.24Š|
| 1121 | V | 87.5 | Confident | 89.4 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | trans | -69.4 | 135.2 | -175.4 | 74.2 | 0 | 0 | 0 | 0 | 111.9 | I1118 I1124 Y1150 | I1118-V1121 HydrophobicContact CB-CB 4.44Å; I1118-V1121 HydrophobicContact CG2-CB 3.91Å; V1121-I1124 HydrophobicContact CG1-CD1 4.35Å; V1121-I1124 HydrophobicContact CG2-CD1 3.87Å; V1121-I1124 HydrophobicContact CG2-CG1 3.46Å; V1121-I1124 VanDerWaalsContact CG2-CG1 3.46Å; V1121-Y1150 HydrophobicContact CG1-CE1 4.34Å; V1121-Y1150 PolarHBondContact O-OH 3.34Å | ||
| 1122 | T | 89.8 | Confident | 89.3 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | trans | -119.4 | -27.4 | 178.5 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | T1097 Q1159 K1160 | T1097-T1122 PolarHBondContact O-N 2.64Å; T1097-T1122 PolarHBondContact O-OG1 3.47Å; T1097-T1122 VanDerWaalsContact O-OG1 3.12Å; T1122-Q1159 WeakPolarHBondContact O-CA 3.37Å; T1122-K1160 PolarHBondContact O-N 3.4Å | ||
| 1123 | L | 92.5 | Very high | 89.3 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 129.2 | 178.5 | -172.3 | 151.4 | 0 | 0 | 0 | 111.3 | T1097 E1098 L1099 D1125 L1157 I1158 Q1159 | T1097-L1123 PolarHBondContact O-N 3.19Å; E1098-L1123 WeakPolarHBondContact CA-O 3.38Å; E1098-L1123 HydrophobicContact CG-CB 4.25Å; L1099-L1123 PolarHBondContact N-O 3.49Å; L1123-D1125 HydrophobicContact CD2-CB 4.26Å; L1123-L1157 HydrophobicContact CD1-CD1 4.42Å; L1123-L1157 HydrophobicContact CD2-CD1 4.12Å; L1123-L1157 HydrophobicContact CG-CD1 4.1Å; L1123-I1158 WeakPolarHBondContact CA-O 3.45Å; L1123-Q1159 HydrophobicContact CD1-CG 4.21Å; L1123-Q1159 HydrophobicContact CG-CG 4.18Å |
| 1124 | I | 94.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.6 | 169 | -43.2 | 179.1 | 0 | 0 | 0 | 108.9 | L1099 L1115 V1121 L1126 F1140 I1158 | L1099-I1124 WeakPolarHBondContact O-CA 3.44Å; L1115-I1124 HydrophobicContact CD1-CD1 4.25Å; L1115-I1124 HydrophobicContact CD1-CG2 3.99Å; V1121-I1124 HydrophobicContact CG1-CD1 4.35Å; V1121-I1124 HydrophobicContact CG2-CD1 3.87Å; V1121-I1124 HydrophobicContact CG2-CG1 3.46Å; V1121-I1124 VanDerWaalsContact CG2-CG1 3.46Å; I1124-L1126 HydrophobicContact CG2-CD1 4.18Å; I1124-L1126 HydrophobicContact CG2-CD2 4.14Å; I1124-L1126 HydrophobicContact CG2-CG 3.94Å; I1124-F1140 HydrophobicContact CD1-CE1 3.69Å; I1124-F1140 HydrophobicContact CD1-CZ 3.62Å; I1124-I1158 HydrophobicContact CB-CB 4.31Å; I1124-I1158 PolarHBondContact N-O 3.45Å; I1124-I1158 PolarHBondContact O-N 2.9Å |
| 1125 | D | 93.9 | Very high | 89.2 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 114.3 | 176.2 | -169.1 | -4.6 | 0 | 0 | 0 | 111 | L1099 N1100 M1101 A1102 L1123 R1127 L1157 | L1099-D1125 PolarHBondContact O-N 3.2Å; N1100-D1125 HydrophobicContact CB-CB 4.28Å; N1100-D1125 WeakPolarHBondContact OD1-CB 3.3Å; M1101-D1125 CarbonylContact C-O 3.52Å; M1101-D1125 PolarHBondContact N-O 3.47Å; A1102-D1125 PolarHBondContact N-O 2.72Å; A1102-D1125 VanDerWaalsContact N-O 3.15Å; L1123-D1125 HydrophobicContact CD2-CB 4.26Å; D1125-R1127 VanDerWaalsContact OD1-CB 3.26Å; D1125-R1127 WeakPolarHBondContact OD1-CB 3.43Å; D1125-R1127 WeakPolarHBondContact OD1-CG 3.42Å; D1125-R1127 IonicContact OD1-CZ 3.4Å; D1125-R1127 PolarHBondContact OD1-N 2.92Å; D1125-R1127 IonicContact OD1-NE 2.71Å; D1125-R1127 PolarHBondContact OD1-NE 3.29Å; D1125-R1127 IonicContact OD1-NH2 2.66Å; D1125-R1127 IonicContact OD2-CZ 3.25Å; D1125-R1127 IonicContact OD2-NE 2.69Å; D1125-R1127 PolarHBondContact OD2-NE 3.41Å; D1125-R1127 VanDerWaalsContact OD2-NE 3.13Å; D1125-R1127 IonicContact OD2-NH2 3.18Å; D1125-R1127 PolarHBondContact OD2-NH2 3.17Å; D1125-L1157 HydrophobicContact CB-CD1 3.88Å |
| 1126 | L | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -120.9 | 17.5 | 178.9 | -57.1 | 171.9 | 0 | 0 | 0 | 111.4 | M1101 L1112 I1124 C1129 I1132 K1156 I1158 | M1101-L1126 HydrophobicContact CB-CD2 4.21Å; M1101-L1126 HydrophobicContact CE-CD2 3.89Å; L1112-L1126 HydrophobicContact CD2-CD1 3.62Å; L1112-L1126 HydrophobicContact CG-CD1 4.3Å; I1124-L1126 HydrophobicContact CG2-CD1 4.18Å; I1124-L1126 HydrophobicContact CG2-CD2 4.14Å; I1124-L1126 HydrophobicContact CG2-CG 3.94Å; L1126-C1129 VanDerWaalsContact O-CB 3.28Å; L1126-C1129 WeakPolarHBondContact O-CB 3.26Å; L1126-C1129 PolarHBondContact O-N 2.86Å; L1126-I1132 HydrophobicContact CB-CD1 4.18Å; L1126-I1132 HydrophobicContact CD1-CD1 4.04Å; L1126-I1132 HydrophobicContact CD2-CD1 4Å; L1126-I1132 HydrophobicContact CG-CD1 4.29Å; L1126-K1156 HydrophobicContact CB-CB 4.19Å; L1126-K1156 PolarHBondContact N-O 3.16Å; L1126-K1156 WeakPolarHBondContact O-CD 3.12Å; L1126-I1158 HydrophobicContact CD1-CD1 4.36Å | ||
| 1127 | R | 92.4 | Very high | 89.4 | Confident | 92 Ų | 92 | 56.3 Ų | 56.3 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 139.6 | -179.2 | -69 | 178.1 | -67.5 | -176.4 | 0.4 | 111.1 | A1102 G1103 D1125 C1129 D1154 K1156 L1157 | A1102-R1127 CarbonylContact C-O 3.58Å; A1102-R1127 WeakPolarHBondContact CA-O 3.31Å; A1102-R1127 HydrophobicContact CB-CB 4.44Å; A1102-R1127 VanDerWaalsContact CB-O 3.31Å; A1102-R1127 WeakPolarHBondContact CB-O 3.44Å; G1103-R1127 PolarHBondContact N-O 3.12Å; D1125-R1127 VanDerWaalsContact OD1-CB 3.26Å; D1125-R1127 WeakPolarHBondContact OD1-CB 3.43Å; D1125-R1127 WeakPolarHBondContact OD1-CG 3.42Å; D1125-R1127 IonicContact OD1-CZ 3.4Å; D1125-R1127 PolarHBondContact OD1-N 2.92Å; D1125-R1127 IonicContact OD1-NE 2.71Å; D1125-R1127 PolarHBondContact OD1-NE 3.29Å; D1125-R1127 IonicContact OD1-NH2 2.66Å; D1125-R1127 IonicContact OD2-CZ 3.25Å; D1125-R1127 IonicContact OD2-NE 2.69Å; D1125-R1127 PolarHBondContact OD2-NE 3.41Å; D1125-R1127 VanDerWaalsContact OD2-NE 3.13Å; D1125-R1127 IonicContact OD2-NH2 3.18Å; D1125-R1127 PolarHBondContact OD2-NH2 3.17Å; R1127-C1129 PolarHBondContact O-N 2.9Å; R1127-C1129 VanDerWaalsContact O-N 3.13Å; R1127-D1154 VanDerWaalsContact CD-CB 3.49Å; R1127-D1154 HydrophobicContact CG-CB 4.33Å; R1127-D1154 IonicContact CZ-OD2 3.23Å; R1127-D1154 IonicContact NH1-OD2 2.8Å; R1127-D1154 PolarHBondContact NH1-OD2 3.35Å; R1127-K1156 HydrophobicContact CG-CB 4.34Å; R1127-L1157 HydrophobicContact CG-CB 4.22Å |
| 1128 | G | 87.6 | Confident | 89.5 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 55% | 0.546 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | -4.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K1130 | G1128-K1130 PolarHBondContact O-N 3.3Å; G1128-K1130 VanDerWaalsContact O-N 3.17Å |
| 1129 | C | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -69.3 | 110.2 | 170.5 | -65 | 0 | 0 | 0 | 0 | 109.5 | M1101 L1126 R1127 I1132 K1156 | M1101-C1129 PolarHBondContact O-SG 2.81Å; L1126-C1129 VanDerWaalsContact O-CB 3.28Å; L1126-C1129 WeakPolarHBondContact O-CB 3.26Å; L1126-C1129 PolarHBondContact O-N 2.86Å; R1127-C1129 PolarHBondContact O-N 2.9Å; R1127-C1129 VanDerWaalsContact O-N 3.13Å; C1129-I1132 HydrophobicContact CB-CB 4.27Å; C1129-I1132 HydrophobicContact CB-CD1 3.8Å; C1129-I1132 HydrophobicContact CB-CG1 4Å; C1129-K1156 PolarHBondContact O-NZ 3.07Å | ||
| 1130 | K | 88.1 | Confident | 90.1 | Very high | 166 Ų | 166 | 58.3 Ų | 58.3 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -33.1 | -167.2 | -63.5 | -175.2 | -176.5 | 179.7 | 0 | 114.5 | N1105 G1128 | N1105-K1130 WeakPolarHBondContact OD1-CD 3.18Å; N1105-K1130 WeakPolarHBondContact OD1-CE 3.42Å; G1128-K1130 PolarHBondContact O-N 3.3Å; G1128-K1130 VanDerWaalsContact O-N 3.17Å |
| 1131 | Q | 90.9 | Very high | 90.2 | Very high | 111 Ų | 111 | 55 Ų | 55 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -93.6 | 3.5 | -177.1 | -58.1 | -178.4 | 87.5 | 0 | 0 | 113.2 | N1105 L1107 T1108 | N1105-Q1131 PolarHBondContact O-NE2 3.34Å; L1107-Q1131 WeakPolarHBondContact O-CB 3.1Å; T1108-Q1131 WeakPolarHBondContact CA-O 3.28Å; T1108-Q1131 HydrophobicContact CG2-CB 4.08Å |
| 1132 | I | 92 | Very high | 90 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -92 | 132.8 | 166.7 | -58.5 | -176.1 | 0 | 0 | 0 | 108.1 | L1107 D1109 L1112 L1126 C1129 K1156 | L1107-I1132 HydrophobicContact CB-CD1 3.98Å; L1107-I1132 HydrophobicContact CB-CG1 4.4Å; D1109-I1132 VanDerWaalsContact OD1-CA 3.22Å; D1109-I1132 WeakPolarHBondContact OD1-CA 3.45Å; L1112-I1132 HydrophobicContact CD1-CG2 4.09Å; L1126-I1132 HydrophobicContact CB-CD1 4.18Å; L1126-I1132 HydrophobicContact CD1-CD1 4.04Å; L1126-I1132 HydrophobicContact CD2-CD1 4Å; L1126-I1132 HydrophobicContact CG-CD1 4.29Å; C1129-I1132 HydrophobicContact CB-CB 4.27Å; C1129-I1132 HydrophobicContact CB-CD1 3.8Å; C1129-I1132 HydrophobicContact CB-CG1 4Å; I1132-K1156 WeakPolarHBondContact O-CE 3.45Å; I1132-K1156 PolarHBondContact O-NZ 3.22Å |
| 1133 | T | 91.3 | Very high | 89.4 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | trans | -96.7 | 147.6 | 177.9 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | D1109 K1135 A1136 C1137 | D1109-T1133 PolarHBondContact OD1-N 3.29Å; D1109-T1133 PolarHBondContact OD1-OG1 3.05Å; D1109-T1133 WeakPolarHBondContact OD2-CB 3.33Å; D1109-T1133 VanDerWaalsContact OD2-CG2 3.28Å; D1109-T1133 WeakPolarHBondContact OD2-CG2 3.36Å; D1109-T1133 PolarHBondContact OD2-OG1 2.78Å; T1133-K1135 PolarHBondContact O-N 3.36Å; T1133-A1136 PolarHBondContact O-N 2.89Å; T1133-A1136 WeakPolarHBondContact OG1-CB 3.27Å; T1133-A1136 PolarHBondContact OG1-N 3.46Å; T1133-C1137 PolarHBondContact O-N 3.21Å | ||
| 1134 | R | 89.1 | Confident | 88.6 | Confident | 133 Ų | 133 | 56.9 Ų | 56.9 | 50% | 0.502 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.2 | -37.5 | 174.7 | 179.4 | 178.9 | 156.8 | 153.8 | 4.2 | 111.7 | A1136 C1137 E1138 L1152 | R1134-A1136 VanDerWaalsContact C-N 3.31Å; R1134-A1136 PolarHBondContact O-N 3.49Å; R1134-C1137 WeakPolarHBondContact O-CB 3.37Å; R1134-C1137 PolarHBondContact O-N 3.21Å; R1134-C1137 VanDerWaalsContact O-N 3.15Å; R1134-E1138 HydrophobicContact CG-CG 4.42Å; R1134-E1138 IonicContact CZ-OE1 2.87Å; R1134-E1138 VanDerWaalsContact CZ-OE1 3.23Å; R1134-E1138 IonicContact NE-OE1 3.96Å; R1134-E1138 PolarHBondContact NE-OE1 3Å; R1134-E1138 IonicContact NE-OE2 3.64Å; R1134-E1138 IonicContact NH2-OE1 3.69Å; R1134-E1138 PolarHBondContact NH2-OE1 3.45Å; R1134-E1138 WeakPolarHBondContact O-CG 3.47Å; R1134-E1138 PolarHBondContact O-N 3.19Å; R1134-L1152 HydrophobicContact CG-CD2 4.02Å |
| 1135 | K | 88.4 | Confident | 87.3 | Confident | 169 Ų | 169 | 59 Ų | 59 | 74% | 0.735 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.7 | -37.2 | 177.6 | -67.8 | -172.4 | 176.7 | -174.4 | 0 | 112.8 | T1133 E1138 H1139 | T1133-K1135 PolarHBondContact O-N 3.36Å; K1135-E1138 PolarHBondContact O-N 3.17Å; K1135-H1139 WeakPolarHBondContact O-CB 3.22Å; K1135-H1139 PolarHBondContact O-N 3.16Å |
| 1136 | A | 89.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | D1109 L1112 T1133 R1134 E1138 H1139 F1140 | D1109-A1136 HydrophobicContact CB-CB 3.83Å; D1109-A1136 WeakPolarHBondContact OD1-CB 3.14Å; L1112-A1136 HydrophobicContact CD1-CB 3.68Å; T1133-A1136 PolarHBondContact O-N 2.89Å; T1133-A1136 WeakPolarHBondContact OG1-CB 3.27Å; T1133-A1136 PolarHBondContact OG1-N 3.46Å; R1134-A1136 VanDerWaalsContact C-N 3.31Å; R1134-A1136 PolarHBondContact O-N 3.49Å; A1136-E1138 VanDerWaalsContact C-N 3.33Å; A1136-E1138 PolarHBondContact O-N 3.22Å; A1136-H1139 PolarHBondContact O-N 3.47Å; A1136-F1140 WeakPolarHBondContact O-CB 3.38Å; A1136-F1140 PolarHBondContact O-N 3.47Å |
| 1137 | C | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 171.3 | -61 | 0 | 0 | 0 | 0 | 111.8 | T1133 R1134 F1140 I1141 L1152 I1158 | T1133-C1137 PolarHBondContact O-N 3.21Å; R1134-C1137 WeakPolarHBondContact O-CB 3.37Å; R1134-C1137 PolarHBondContact O-N 3.21Å; R1134-C1137 VanDerWaalsContact O-N 3.15Å; C1137-F1140 PolarHBondContact O-N 2.9Å; C1137-I1141 WeakPolarHBondContact O-CG1 3.49Å; C1137-I1141 PolarHBondContact O-N 3.43Å; C1137-L1152 HydrophobicContact CB-CD1 3.89Å; C1137-L1152 HydrophobicContact CB-CD2 4.03Å; C1137-I1158 HydrophobicContact CB-CD1 4.27Å |
| 1138 | E | 88.3 | Confident | 83.4 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 177.4 | -69.2 | 167.4 | 154.8 | 0 | 0 | 111.8 | R1134 K1135 A1136 I1141 S1142 L1152 | R1134-E1138 HydrophobicContact CG-CG 4.42Å; R1134-E1138 IonicContact CZ-OE1 2.87Å; R1134-E1138 VanDerWaalsContact CZ-OE1 3.23Å; R1134-E1138 IonicContact NE-OE1 3.96Å; R1134-E1138 PolarHBondContact NE-OE1 3Å; R1134-E1138 IonicContact NE-OE2 3.64Å; R1134-E1138 IonicContact NH2-OE1 3.69Å; R1134-E1138 PolarHBondContact NH2-OE1 3.45Å; R1134-E1138 WeakPolarHBondContact O-CG 3.47Å; R1134-E1138 PolarHBondContact O-N 3.19Å; K1135-E1138 PolarHBondContact O-N 3.17Å; A1136-E1138 VanDerWaalsContact C-N 3.33Å; A1136-E1138 PolarHBondContact O-N 3.22Å; E1138-I1141 PolarHBondContact O-N 3.23Å; E1138-S1142 PolarHBondContact O-N 3.03Å; E1138-L1152 HydrophobicContact CG-CD2 3.65Å |
| 1139 | H | 87.6 | Confident | 83 | Confident | 121 Ų | 121 | 70.9 Ų | 70.9 | 56% | 0.56 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 172.5 | -171.1 | -59 | 0 | 0 | 0 | 112.3 | K1135 A1136 I1141 S1142 D1143 | K1135-H1139 WeakPolarHBondContact O-CB 3.22Å; K1135-H1139 PolarHBondContact O-N 3.16Å; A1136-H1139 PolarHBondContact O-N 3.47Å; H1139-I1141 VanDerWaalsContact C-N 3.35Å; H1139-I1141 PolarHBondContact O-N 3.27Å; H1139-S1142 WeakPolarHBondContact O-CB 3.38Å; H1139-S1142 PolarHBondContact O-N 3.18Å; H1139-S1142 VanDerWaalsContact O-N 3.16Å; H1139-D1143 IonicContact CE1-OD1 2.88Å; H1139-D1143 IonicContact CE1-OD2 3.75Å; H1139-D1143 PolarHBondContact CE1-OD2 3.46Å; H1139-D1143 IonicContact ND1-OD2 2.63Å; H1139-D1143 PolarHBondContact ND1-OD2 3.17Å; H1139-D1143 PolarHBondContact O-N 3.16Å |
| 1140 | F | 88.5 | Confident | 82.7 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 178 | 173.9 | -93.6 | 0 | 0 | 0 | 112.1 | L1112 L1115 R1116 I1124 A1136 C1137 D1143 L1144 I1158 | L1112-F1140 HydrophobicContact CB-CB 4.3Å; L1112-F1140 HydrophobicContact CB-CD2 3.84Å; L1112-F1140 HydrophobicContact CB-CE2 4.45Å; L1112-F1140 HydrophobicContact CB-CG 4.25Å; L1112-F1140 HydrophobicContact CD1-CB 4.43Å; L1112-F1140 HydrophobicContact CD2-CB 4.19Å; L1112-F1140 HydrophobicContact CD2-CD1 4Å; L1112-F1140 HydrophobicContact CD2-CD2 3.93Å; L1112-F1140 HydrophobicContact CD2-CE1 4.31Å; L1112-F1140 HydrophobicContact CD2-CE2 4.23Å; L1112-F1140 HydrophobicContact CD2-CG 3.79Å; L1112-F1140 HydrophobicContact CD2-CZ 4.41Å; L1112-F1140 HydrophobicContact CG-CD2 4.48Å; L1112-F1140 WeakPolarHBondContact O-CD2 3.34Å; L1112-F1140 VanDerWaalsContact O-CE2 3.23Å; L1112-F1140 WeakPolarHBondContact O-CE2 3.38Å; L1115-F1140 HydrophobicContact CB-CE2 3.91Å; L1115-F1140 HydrophobicContact CB-CZ 4.04Å; R1116-F1140 HydrophobicContact CB-CE2 4.23Å; I1124-F1140 HydrophobicContact CD1-CE1 3.69Å; I1124-F1140 HydrophobicContact CD1-CZ 3.62Å; A1136-F1140 WeakPolarHBondContact O-CB 3.38Å; A1136-F1140 PolarHBondContact O-N 3.47Å; C1137-F1140 PolarHBondContact O-N 2.9Å; F1140-D1143 PolarHBondContact O-N 3.04Å; F1140-L1144 HydrophobicContact CD1-CD1 4.03Å; F1140-L1144 HydrophobicContact CE1-CD1 3.43Å; F1140-L1144 VanDerWaalsContact CE1-CD1 3.43Å; F1140-L1144 HydrophobicContact CE2-CD1 4.12Å; F1140-L1144 HydrophobicContact CZ-CD1 3.49Å; F1140-L1144 VanDerWaalsContact CZ-CD1 3.49Å; F1140-L1144 HydrophobicContact CZ-CG 4.48Å; F1140-L1144 WeakPolarHBondContact O-CG 3.47Å; F1140-L1144 PolarHBondContact O-N 3.07Å; F1140-L1144 VanDerWaalsContact O-N 3.15Å; F1140-I1158 HydrophobicContact CD1-CD1 3.78Å; F1140-I1158 HydrophobicContact CE1-CD1 3.97Å; F1140-I1158 HydrophobicContact CE1-CG2 4.4Å |
| 1141 | I | 86.8 | Confident | 82.6 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 171.8 | -74.8 | 167.2 | 0 | 0 | 0 | 110.6 | C1137 E1138 H1139 D1143 L1144 S1145 Y1150 L1152 I1158 | C1137-I1141 WeakPolarHBondContact O-CG1 3.49Å; C1137-I1141 PolarHBondContact O-N 3.43Å; E1138-I1141 PolarHBondContact O-N 3.23Å; H1139-I1141 VanDerWaalsContact C-N 3.35Å; H1139-I1141 PolarHBondContact O-N 3.27Å; I1141-D1143 VanDerWaalsContact C-N 3.34Å; I1141-D1143 PolarHBondContact O-N 2.89Å; I1141-L1144 PolarHBondContact O-N 2.98Å; I1141-S1145 VanDerWaalsContact O-CB 3.3Å; I1141-S1145 WeakPolarHBondContact O-CB 3.05Å; I1141-S1145 PolarHBondContact O-N 2.82Å; I1141-S1145 PolarHBondContact O-OG 3.15Å; I1141-Y1150 WeakPolarHBondContact CG2-O 3.49Å; I1141-L1152 HydrophobicContact CD1-CB 3.66Å; I1141-L1152 HydrophobicContact CD1-CD1 4.23Å; I1141-L1152 HydrophobicContact CD1-CG 4.41Å; I1141-I1158 HydrophobicContact CD1-CG1 4.18Å; I1141-I1158 HydrophobicContact CD1-CG2 4.13Å; I1141-I1158 HydrophobicContact CG1-CG1 4.46Å; I1141-I1158 HydrophobicContact CG1-CG2 3.91Å |
| 1142 | S | 83.4 | Confident | 82.5 | Confident | 83 Ų | 83 | 63 Ų | 63 | 58% | 0.58 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.6 | -45.7 | 176.8 | -165.6 | 0 | 0 | 0 | 0 | 112 | E1138 H1139 L1144 S1145 | E1138-S1142 PolarHBondContact O-N 3.03Å; H1139-S1142 WeakPolarHBondContact O-CB 3.38Å; H1139-S1142 PolarHBondContact O-N 3.18Å; H1139-S1142 VanDerWaalsContact O-N 3.16Å; S1142-L1144 VanDerWaalsContact C-N 3.33Å; S1142-L1144 PolarHBondContact O-N 3.4Å; S1142-S1145 PolarHBondContact O-N 3.44Å |
| 1143 | D | 77.7 | Confident | 82 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.214 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.3 | -33.9 | 176.5 | -87.9 | -43 | 0 | 0 | 0 | 114.2 | R1116 H1139 F1140 I1141 | R1116-D1143 IonicContact CZ-OD1 3.67Å; R1116-D1143 IonicContact CZ-OD2 3.85Å; R1116-D1143 IonicContact NH1-OD1 2.92Å; R1116-D1143 PolarHBondContact NH1-OD1 3.17Å; R1116-D1143 IonicContact NH1-OD2 3.96Å; R1116-D1143 PolarHBondContact NH1-OD2 3.14Å; R1116-D1143 IonicContact NH2-OD1 2.78Å; R1116-D1143 PolarHBondContact NH2-OD1 2.85Å; H1139-D1143 IonicContact CE1-OD1 2.88Å; H1139-D1143 IonicContact CE1-OD2 3.75Å; H1139-D1143 PolarHBondContact CE1-OD2 3.46Å; H1139-D1143 IonicContact ND1-OD2 2.63Å; H1139-D1143 PolarHBondContact ND1-OD2 3.17Å; H1139-D1143 PolarHBondContact O-N 3.16Å; F1140-D1143 PolarHBondContact O-N 3.04Å; I1141-D1143 VanDerWaalsContact C-N 3.34Å; I1141-D1143 PolarHBondContact O-N 2.89Å |
| 1144 | L | 76 | Confident | 81.2 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -89.6 | -23.5 | -180 | -68.6 | -178.4 | 0 | 0 | 0 | 113.6 | R1116 F1140 I1141 S1142 I1146 N1147 S1148 Y1150 | R1116-L1144 HydrophobicContact CG-CD2 4.42Å; F1140-L1144 HydrophobicContact CD1-CD1 4.03Å; F1140-L1144 HydrophobicContact CE1-CD1 3.43Å; F1140-L1144 VanDerWaalsContact CE1-CD1 3.43Å; F1140-L1144 HydrophobicContact CE2-CD1 4.12Å; F1140-L1144 HydrophobicContact CZ-CD1 3.49Å; F1140-L1144 VanDerWaalsContact CZ-CD1 3.49Å; F1140-L1144 HydrophobicContact CZ-CG 4.48Å; F1140-L1144 WeakPolarHBondContact O-CG 3.47Å; F1140-L1144 PolarHBondContact O-N 3.07Å; F1140-L1144 VanDerWaalsContact O-N 3.15Å; I1141-L1144 PolarHBondContact O-N 2.98Å; S1142-L1144 VanDerWaalsContact C-N 3.33Å; S1142-L1144 PolarHBondContact O-N 3.4Å; L1144-I1146 PolarHBondContact O-N 3.26Å; L1144-N1147 PolarHBondContact O-N 3.08Å; L1144-S1148 PolarHBondContact O-N 3.43Å; L1144-Y1150 HydrophobicContact CB-CD2 3.93Å; L1144-Y1150 HydrophobicContact CB-CE2 3.7Å; L1144-Y1150 HydrophobicContact CD1-CE2 4.14Å |
| 1145 | S | 65.2 | Low | 80.5 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.9 | -176.2 | -67.1 | 0 | 0 | 0 | 0 | 114.2 | I1141 S1142 N1147 S1148 | I1141-S1145 VanDerWaalsContact O-CB 3.3Å; I1141-S1145 WeakPolarHBondContact O-CB 3.05Å; I1141-S1145 PolarHBondContact O-N 2.82Å; I1141-S1145 PolarHBondContact O-OG 3.15Å; S1142-S1145 PolarHBondContact O-N 3.44Å; S1145-N1147 PolarHBondContact O-N 3.43Å; S1145-S1148 WeakPolarHBondContact CA-O 3.26Å |
| 1146 | I | 64.6 | Low | 80.6 | Confident | 133 Ų | 133 | 59.9 Ų | 59.9 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.2 | 171.3 | -58.1 | 171.4 | 0 | 0 | 0 | 111.7 | L1144 | L1144-I1146 PolarHBondContact O-N 3.26Š|
| 1147 | N | 62.2 | Low | 80.6 | Confident | 143 Ų | 143 | 59.5 Ų | 59.5 | 77% | 0.765 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -17.3 | -173.1 | -66.7 | -41.7 | 0 | 0 | 0 | 114.7 | L1144 S1145 | L1144-N1147 PolarHBondContact O-N 3.08Å; S1145-N1147 PolarHBondContact O-N 3.43Å |
| 1148 | S | 71 | Confident | 80.7 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 20% | 0.203 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -165.4 | 139.5 | 178.6 | -74.6 | 0 | 0 | 0 | 0 | 109.8 | L1144 S1145 Y1150 K1160 | L1144-S1148 PolarHBondContact O-N 3.43Å; S1145-S1148 WeakPolarHBondContact CA-O 3.26Å; S1148-Y1150 WeakPolarHBondContact O-CD2 3.48Å; S1148-Y1150 VanDerWaalsContact O-CE2 3.27Å; S1148-Y1150 WeakPolarHBondContact O-CE2 3.38Å; S1148-K1160 PolarHBondContact OG-NZ 3.36Å |
| 1149 | L | 80.6 | Confident | 80.8 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 53% | 0.534 | 32% | 0.317 | S | S | . | . | trans | -72 | 137.7 | 178.1 | -62.9 | 174.9 | 0 | 0 | 0 | 111.2 | K1160 I1161 | L1149-K1160 WeakPolarHBondContact O-CA 3.42Å; L1149-I1161 HydrophobicContact CB-CB 4.01Å; L1149-I1161 HydrophobicContact CB-CD1 4.37Å; L1149-I1161 HydrophobicContact CB-CG1 4.46Å; L1149-I1161 PolarHBondContact O-N 2.63Å | ||
| 1150 | Y | 85.2 | Confident | 80.8 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.7 | 172.3 | -63.3 | -97.2 | 0 | 0 | 0 | 110.8 | V1121 I1141 L1144 S1148 I1158 Q1159 K1160 | V1121-Y1150 HydrophobicContact CG1-CE1 4.34Å; V1121-Y1150 PolarHBondContact O-OH 3.34Å; I1141-Y1150 WeakPolarHBondContact CG2-O 3.49Å; L1144-Y1150 HydrophobicContact CB-CD2 3.93Å; L1144-Y1150 HydrophobicContact CB-CE2 3.7Å; L1144-Y1150 HydrophobicContact CD1-CE2 4.14Å; S1148-Y1150 WeakPolarHBondContact O-CD2 3.48Å; S1148-Y1150 VanDerWaalsContact O-CE2 3.27Å; S1148-Y1150 WeakPolarHBondContact O-CE2 3.38Å; Y1150-I1158 HydrophobicContact CD1-CG2 4.13Å; Y1150-Q1159 CarbonylContact C-O 3.36Å; Y1150-Q1159 WeakPolarHBondContact CA-O 3.48Å; Y1150-K1160 HydrophobicContact CD1-CB 3.84Å; Y1150-K1160 HydrophobicContact CE1-CB 3.69Å; Y1150-K1160 HydrophobicContact CE1-CD 4.32Å; Y1150-K1160 HydrophobicContact CE1-CG 4.25Å |
| 1151 | C | 85.8 | Confident | 80.4 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 28% | 0.284 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 158.4 | 169.5 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | I1158 Q1159 I1161 | C1151-I1158 WeakPolarHBondContact O-CA 3.4Å; C1151-Q1159 PolarHBondContact N-O 3.3Å; C1151-Q1159 PolarHBondContact O-N 3.04Å; C1151-Q1159 VanDerWaalsContact O-N 3.1Å; C1151-Q1159 PolarHBondContact SG-O 3.11Å; C1151-I1161 HydrophobicContact CB-CD1 3.74Å; C1151-I1161 HydrophobicContact CB-CG1 3.88Å |
| 1152 | L | 88.1 | Confident | 79.1 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 103.1 | 168 | -169.8 | 59.5 | 0 | 0 | 0 | 109.5 | R1134 C1137 E1138 I1141 I1158 | R1134-L1152 HydrophobicContact CG-CD2 4.02Å; C1137-L1152 HydrophobicContact CB-CD1 3.89Å; C1137-L1152 HydrophobicContact CB-CD2 4.03Å; E1138-L1152 HydrophobicContact CG-CD2 3.65Å; I1141-L1152 HydrophobicContact CD1-CB 3.66Å; I1141-L1152 HydrophobicContact CD1-CD1 4.23Å; I1141-L1152 HydrophobicContact CD1-CG 4.41Å; L1152-I1158 HydrophobicContact CD1-CG1 3.83Å |
| 1153 | S | 82.4 | Confident | 78.8 | Confident | 37 Ų | 37 | 66 Ų | 66 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 158.2 | 171.5 | -59.5 | 0 | 0 | 0 | 0 | 110 | E1155 K1156 L1157 Q1159 | S1153-E1155 VanDerWaalsContact C-N 3.28Å; S1153-E1155 PolarHBondContact O-N 2.94Å; S1153-K1156 PolarHBondContact O-N 3.12Å; S1153-L1157 PolarHBondContact N-O 3.37Å; S1153-L1157 WeakPolarHBondContact O-CB 3.47Å; S1153-L1157 PolarHBondContact O-N 3.03Å; S1153-Q1159 PolarHBondContact OG-OE1 3.44Å |
| 1154 | D | 74.2 | Confident | 78.9 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.4 | 45.3 | 166.9 | -66.5 | -3.1 | 0 | 0 | 0 | 115.4 | R1127 K1156 L1157 | R1127-D1154 VanDerWaalsContact CD-CB 3.49Å; R1127-D1154 HydrophobicContact CG-CB 4.33Å; R1127-D1154 IonicContact CZ-OD2 3.23Å; R1127-D1154 IonicContact NH1-OD2 2.8Å; R1127-D1154 PolarHBondContact NH1-OD2 3.35Å; D1154-K1156 PolarHBondContact O-N 2.77Å; D1154-L1157 HydrophobicContact CB-CB 4.33Å |
| 1155 | E | 75 | Confident | 79.1 | Confident | 130 Ų | 130 | 69.8 Ų | 69.8 | 61% | 0.607 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -35.6 | -172 | -54 | -166.7 | 145.7 | 0 | 0 | 117.7 | S1153 | S1153-E1155 VanDerWaalsContact C-N 3.28Å; S1153-E1155 PolarHBondContact O-N 2.94Å |
| 1156 | K | 89.9 | Confident | 79.9 | Confident | 26 Ų | 26 | 71.1 Ų | 71.1 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148.1 | 17.2 | -167.7 | -60.8 | -175 | -167.9 | 177.7 | 0 | 114.3 | L1126 R1127 C1129 I1132 S1153 D1154 | L1126-K1156 HydrophobicContact CB-CB 4.19Å; L1126-K1156 PolarHBondContact N-O 3.16Å; L1126-K1156 WeakPolarHBondContact O-CD 3.12Å; R1127-K1156 HydrophobicContact CG-CB 4.34Å; C1129-K1156 PolarHBondContact O-NZ 3.07Å; I1132-K1156 WeakPolarHBondContact O-CE 3.45Å; I1132-K1156 PolarHBondContact O-NZ 3.22Å; S1153-K1156 PolarHBondContact O-N 3.12Å; D1154-K1156 PolarHBondContact O-N 2.77Å |
| 1157 | L | 91.3 | Very high | 80.8 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 108.8 | 170 | 173.3 | 62.3 | 0 | 0 | 0 | 108.6 | L1123 D1125 R1127 S1153 D1154 Q1159 | L1123-L1157 HydrophobicContact CD1-CD1 4.42Å; L1123-L1157 HydrophobicContact CD2-CD1 4.12Å; L1123-L1157 HydrophobicContact CG-CD1 4.1Å; D1125-L1157 HydrophobicContact CB-CD1 3.88Å; R1127-L1157 HydrophobicContact CG-CB 4.22Å; S1153-L1157 PolarHBondContact N-O 3.37Å; S1153-L1157 WeakPolarHBondContact O-CB 3.47Å; S1153-L1157 PolarHBondContact O-N 3.03Å; D1154-L1157 HydrophobicContact CB-CB 4.33Å; L1157-Q1159 HydrophobicContact CD1-CG 4.12Å; L1157-Q1159 HydrophobicContact CD2-CG 4.47Å; L1157-Q1159 HydrophobicContact CG-CG 3.96Å |
| 1158 | I | 91.1 | Very high | 82.1 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.9 | -179.7 | -59.4 | 157 | 0 | 0 | 0 | 108.2 | L1112 L1123 I1124 L1126 C1137 F1140 I1141 Y1150 C1151 L1152 | L1112-I1158 HydrophobicContact CD2-CD1 4.06Å; L1123-I1158 WeakPolarHBondContact CA-O 3.45Å; I1124-I1158 HydrophobicContact CB-CB 4.31Å; I1124-I1158 PolarHBondContact N-O 3.45Å; I1124-I1158 PolarHBondContact O-N 2.9Å; L1126-I1158 HydrophobicContact CD1-CD1 4.36Å; C1137-I1158 HydrophobicContact CB-CD1 4.27Å; F1140-I1158 HydrophobicContact CD1-CD1 3.78Å; F1140-I1158 HydrophobicContact CE1-CD1 3.97Å; F1140-I1158 HydrophobicContact CE1-CG2 4.4Å; I1141-I1158 HydrophobicContact CD1-CG1 4.18Å; I1141-I1158 HydrophobicContact CD1-CG2 4.13Å; I1141-I1158 HydrophobicContact CG1-CG1 4.46Å; I1141-I1158 HydrophobicContact CG1-CG2 3.91Å; Y1150-I1158 HydrophobicContact CD1-CG2 4.13Å; C1151-I1158 WeakPolarHBondContact O-CA 3.4Å; L1152-I1158 HydrophobicContact CD1-CG1 3.83Å |
| 1159 | Q | 90.1 | Very high | 82.9 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.5 | -177.2 | -68.4 | 173.1 | -58 | 0 | 0 | 111 | T1122 L1123 Y1150 C1151 S1153 L1157 | T1122-Q1159 WeakPolarHBondContact O-CA 3.37Å; L1123-Q1159 HydrophobicContact CD1-CG 4.21Å; L1123-Q1159 HydrophobicContact CG-CG 4.18Å; Y1150-Q1159 CarbonylContact C-O 3.36Å; Y1150-Q1159 WeakPolarHBondContact CA-O 3.48Å; C1151-Q1159 PolarHBondContact N-O 3.3Å; C1151-Q1159 PolarHBondContact O-N 3.04Å; C1151-Q1159 VanDerWaalsContact O-N 3.1Å; C1151-Q1159 PolarHBondContact SG-O 3.11Å; S1153-Q1159 PolarHBondContact OG-OE1 3.44Å; L1157-Q1159 HydrophobicContact CD1-CG 4.12Å; L1157-Q1159 HydrophobicContact CD2-CG 4.47Å; L1157-Q1159 HydrophobicContact CG-CG 3.96Å |
| 1160 | K | 87.1 | Confident | 83 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 32% | 0.317 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133.8 | 176.5 | -179.1 | 159.8 | 166.2 | 162.2 | 0 | 110.9 | T1122 S1148 L1149 Y1150 S1162 | T1122-K1160 PolarHBondContact O-N 3.4Å; S1148-K1160 PolarHBondContact OG-NZ 3.36Å; L1149-K1160 WeakPolarHBondContact O-CA 3.42Å; Y1150-K1160 HydrophobicContact CD1-CB 3.84Å; Y1150-K1160 HydrophobicContact CE1-CB 3.69Å; Y1150-K1160 HydrophobicContact CE1-CD 4.32Å; Y1150-K1160 HydrophobicContact CE1-CG 4.25Å; K1160-S1162 VanDerWaalsContact CE-CB 3.49Å; K1160-S1162 PolarHBondContact O-N 3.03Å |
| 1161 | I | 80.1 | Confident | 82.9 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | trans | -98.4 | 62.9 | 175.6 | -39.2 | 171.3 | 0 | 0 | 0 | 108.6 | L1149 C1151 | L1149-I1161 HydrophobicContact CB-CB 4.01Å; L1149-I1161 HydrophobicContact CB-CD1 4.37Å; L1149-I1161 HydrophobicContact CB-CG1 4.46Å; L1149-I1161 PolarHBondContact O-N 2.63Å; C1151-I1161 HydrophobicContact CB-CD1 3.74Å; C1151-I1161 HydrophobicContact CB-CG1 3.88Å | ||
| 1162 | S | 59.4 | Low | 82.6 | Confident | 144 Ų | 144 | 66.9 Ų | 66.9 | 100% | 1.007 | 36% | 0.362 | S | S | * | . | trans | -157.2 | 0 | 175.4 | -44.3 | 0 | 0 | 0 | 0 | 110.5 | K1160 | K1160-S1162 VanDerWaalsContact CE-CB 3.49Å; K1160-S1162 PolarHBondContact O-N 3.03Å |
Retrieved 1,162 of 1,162 residues in 1406.8 ms
(Link to these results)