| 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 | 38.5 | Very low | 41.7 | Very low | 240 Ų | 240 | 165.1 Ų | 165.1 | 100% | 1.182 | 84% | 0.837 | S | S | * | * | 0 | 136.5 | 0 | -69.2 | 172.9 | 86.9 | 0 | 0 | 108.5 | |||||
| 2 | S | 37.5 | Very low | 42 | Very low | 110 Ų | 110 | 158.8 Ų | 158.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | 51.7 | 109.6 | 176.1 | 70.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 3 | L | 40.9 | Very low | 42.6 | Very low | 176 Ų | 176 | 164.1 Ų | 164.1 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | 68.8 | 122.6 | 75.4 | -84.1 | 153.5 | 0 | 0 | 0 | 114.3 | |||||
| 4 | S | 42.6 | Very low | 43 | Very low | 113 Ų | 113 | 169 Ų | 169 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | 118.7 | 134.3 | 145.6 | -165 | 0 | 0 | 0 | 0 | 117 | ||||
| 5 | S | 43.5 | Very low | 43.2 | Very low | 98 Ų | 98 | 168.5 Ų | 168.5 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | 83.1 | 103.7 | 164 | 82.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 6 | K | 49 | Very low | 43.4 | Very low | 187 Ų | 187 | 165.9 Ų | 165.9 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | 173.5 | 67.8 | 121.7 | -89.1 | 163.1 | -174.9 | -179.1 | 0 | 109.9 | W8 | K6-W8 PolarHBondContact O-N 3.42Š| |||
| 7 | L | 38 | Very low | 43.9 | Very low | 172 Ų | 172 | 163.5 Ų | 163.5 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -71.7 | 94.5 | 150.2 | -98.4 | 131.9 | 0 | 0 | 0 | 106.8 | ||||
| 8 | W | 41.2 | Very low | 44.4 | Very low | 211 Ų | 211 | 159 Ų | 159 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -112.9 | 87.5 | 161.6 | -87.7 | 90.6 | 0 | 0 | 0 | 108.3 | K6 F10 | K6-W8 PolarHBondContact O-N 3.42Å; W8-F10 PolarHBondContact O-N 3.21Å | ||
| 9 | L | 41.8 | Very low | 45 | Very low | 128 Ų | 128 | 158.5 Ų | 158.5 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 14.2 | 90.7 | 142.8 | -63.8 | 162.4 | 0 | 0 | 0 | 115.3 | F11 | L9-F11 VanDerWaalsContact C-N 3.26Å; L9-F11 HydrophobicContact CB-CD2 4.2Å; L9-F11 PolarHBondContact O-N 3.4Å | ||
| 10 | F | 43.4 | Very low | 45.5 | Very low | 211 Ų | 211 | 152.3 Ų | 152.3 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -72.8 | 86 | 156.5 | -94 | -90.1 | 0 | 0 | 0 | 108.4 | W8 P12 | W8-F10 PolarHBondContact O-N 3.21Å; F10-P12 WeakPolarHBondContact O-CD 3.26Å | ||
| 11 | F | 42.8 | Very low | 46 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 75% | 0.746 | 75% | 0.751 | S | S | * | * | trans | -62.8 | 120.9 | 165.5 | -100.2 | -89.1 | 0 | 0 | 0 | 108.9 | L9 R13 | L9-F11 VanDerWaalsContact C-N 3.26Å; L9-F11 HydrophobicContact CB-CD2 4.2Å; L9-F11 PolarHBondContact O-N 3.4Å; F11-R13 PolarHBondContact O-N 2.89Å | ||
| 12 | P | 44.9 | Very low | 46.9 | Very low | 90 Ų | 90 | 150 Ų | 150 | 58% | 0.584 | 72% | 0.723 | S | S | * | * | trans | -70 | 109.7 | 171.4 | 28.7 | -29.8 | 0 | 0 | 0 | 107.5 | F10 R14 | F10-P12 WeakPolarHBondContact O-CD 3.26Å; P12-R14 PolarHBondContact O-N 3.28Å | ||
| 13 | R | 49.3 | Very low | 47.6 | Very low | 227 Ų | 227 | 150.5 Ų | 150.5 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | trans | -54.4 | 9.5 | 172.6 | -97.7 | -175.9 | 171.6 | -154.8 | -1.1 | 115.4 | F11 F15 | F11-R13 PolarHBondContact O-N 2.89Å; R13-F15 VanDerWaalsContact C-N 3.31Å; R13-F15 PolarHBondContact O-N 3.13Å | ||
| 14 | R | 48.1 | Very low | 48.4 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 7.8 | -167.7 | -80.8 | -173.5 | 169.9 | -177.8 | -2 | 115.7 | P12 | P12-R14 PolarHBondContact O-N 3.28Š|
| 15 | F | 45.9 | Very low | 48.8 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 25.3 | -178.1 | -77.2 | -73.5 | 0 | 0 | 0 | 115.2 | R13 H17 | R13-F15 VanDerWaalsContact C-N 3.31Å; R13-F15 PolarHBondContact O-N 3.13Å; F15-H17 PolarHBondContact O-N 3.45Å; F15-H17 PolarHBondContact O-ND1 2.8Å |
| 16 | L | 46.3 | Very low | 49.2 | Very low | 126 Ų | 126 | 151.7 Ų | 151.7 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | -75.2 | 99.1 | 169.5 | -75.2 | 160 | 0 | 0 | 0 | 109.1 | ||||
| 17 | H | 51.9 | Low | 49.3 | Very low | 125 Ų | 125 | 152.4 Ų | 152.4 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | trans | -69.2 | 145.7 | -174.1 | -81.2 | 64.2 | 0 | 0 | 0 | 112.8 | F15 H19 | F15-H17 PolarHBondContact O-N 3.45Å; F15-H17 PolarHBondContact O-ND1 2.8Å; H17-H19 PolarHBondContact O-CD2 3.22Å | ||
| 18 | N | 53.5 | Low | 50 | Low | 83 Ų | 83 | 146.3 Ų | 146.3 | 44% | 0.444 | 67% | 0.674 | S | S | . | * | trans | -83.1 | 107.4 | 170.4 | -148.7 | -13.2 | 0 | 0 | 0 | 107.8 | S20 | N18-S20 VanDerWaalsContact C-N 3.35Å; N18-S20 PolarHBondContact OD1-OG 3.25Å | ||
| 19 | H | 55.1 | Low | 50.5 | Low | 149 Ų | 149 | 148.2 Ų | 148.2 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | trans | -83.6 | -13.4 | -174 | -74 | -82.9 | 0 | 0 | 0 | 113 | H17 R21 D38 | H17-H19 PolarHBondContact O-CD2 3.22Å; H19-R21 PolarHBondContact O-N 3.39Å; H19-R21 VanDerWaalsContact O-N 3.09Å; H19-D38 PolarHBondContact N-OD2 3.01Å | ||
| 20 | S | 55.9 | Low | 51 | Low | 34 Ų | 34 | 150 Ų | 150 | 24% | 0.238 | 68% | 0.683 | C | S | . | * | trans | -76.9 | 94.3 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | N18 V22 R24 D38 | N18-S20 VanDerWaalsContact C-N 3.35Å; N18-S20 PolarHBondContact OD1-OG 3.25Å; S20-V22 PolarHBondContact O-N 3.47Å; S20-R24 PolarHBondContact OG-NH2 2.92Å; S20-D38 PolarHBondContact OG-OD1 3.29Å | ||
| 21 | R | 55.9 | Low | 51.6 | Low | 247 Ų | 247 | 143.4 Ų | 143.4 | 93% | 0.932 | 66% | 0.657 | S | S | * | * | trans | -65.9 | 23.1 | 172.6 | -67.6 | -177 | 175 | -173.7 | -1.1 | 114.1 | H19 P23 | H19-R21 PolarHBondContact O-N 3.39Å; H19-R21 VanDerWaalsContact O-N 3.09Å; R21-P23 WeakPolarHBondContact O-CD 3.34Å | ||
| 22 | V | 56.6 | Low | 52.3 | Low | 97 Ų | 97 | 142.2 Ų | 142.2 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | trans | -91.5 | 118.7 | -174.3 | -169.9 | 0 | 0 | 0 | 0 | 109 | S20 R24 | S20-V22 PolarHBondContact O-N 3.47Å; V22-R24 PolarHBondContact O-N 2.9Å | ||
| 23 | P | 53.4 | Low | 52.7 | Low | 121 Ų | 121 | 141.7 Ų | 141.7 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | trans | -68.4 | 105.5 | 174.7 | 27.1 | -30.7 | 0 | 0 | 0 | 109.1 | R21 | R21-P23 WeakPolarHBondContact O-CD 3.34Š| ||
| 24 | R | 57.4 | Low | 53.1 | Low | 143 Ų | 143 | 134 Ų | 134 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | trans | -89.7 | 119.8 | 176.2 | -73.8 | -174.8 | -111.7 | -137.9 | 2.4 | 110.4 | S20 V22 R26 | S20-R24 PolarHBondContact OG-NH2 2.92Å; V22-R24 PolarHBondContact O-N 2.9Å; R24-R26 PolarHBondContact O-N 3.38Å | ||
| 25 | V | 51.9 | Low | 53.6 | Low | 138 Ų | 138 | 127.2 Ų | 127.2 | 84% | 0.836 | 60% | 0.595 | S | S | * | * | trans | -61.7 | 114.8 | -178.7 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 26 | R | 52 | Low | 54.1 | Low | 131 Ų | 131 | 123 Ų | 123 | 49% | 0.494 | 58% | 0.582 | S | S | . | * | trans | -87.3 | 121.8 | 175 | -61.4 | -167.3 | -166.3 | -152.7 | 9.5 | 109.7 | R24 S28 K32 E35 | R24-R26 PolarHBondContact O-N 3.38Å; R26-S28 VanDerWaalsContact C-N 3.27Å; R26-S28 PolarHBondContact O-N 3.33Å; R26-K32 PolarHBondContact NH1-O 2.98Å; R26-E35 IonicContact CZ-OE1 3.99Å; R26-E35 IonicContact NH1-OE1 2.75Å; R26-E35 PolarHBondContact NH1-OE1 3.11Å; R26-E35 IonicContact NH2-OE1 3.72Å; R26-E35 PolarHBondContact NH2-OE1 3.46Å | ||
| 27 | K | 50.1 | Low | 54.7 | Low | 202 Ų | 202 | 119 Ų | 119 | 88% | 0.878 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -73.7 | -10.2 | 177.8 | -65.9 | -172 | 177.1 | -177.8 | 0 | 114.3 | ||
| 28 | S | 52.5 | Low | 55.1 | Low | 45 Ų | 45 | 117.3 Ų | 117.3 | 32% | 0.315 | 56% | 0.559 | S | S | . | * | trans | -166.9 | 146.2 | -176.9 | 172.2 | 0 | 0 | 0 | 0 | 113.4 | R26 K30 N31 | R26-S28 VanDerWaalsContact C-N 3.27Å; R26-S28 PolarHBondContact O-N 3.33Å; S28-K30 PolarHBondContact O-N 2.93Å; S28-K30 WeakPolarHBondContact OG-CB 3.2Å; S28-K30 PolarHBondContact OG-N 3.28Å; S28-N31 PolarHBondContact O-N 3.03Å; S28-N31 VanDerWaalsContact O-N 3.11Å | ||
| 29 | R | 52.4 | Low | 55.4 | Low | 251 Ų | 251 | 121.3 Ų | 121.3 | 95% | 0.947 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -57.6 | -26.3 | 168.2 | -109 | 179.1 | 174.8 | 156.3 | -1.7 | 112.8 | N31 | R29-N31 VanDerWaalsContact C-N 3.27Å; R29-N31 PolarHBondContact O-N 3.15Å |
| 30 | K | 52.4 | Low | 55.7 | Low | 165 Ų | 165 | 115.8 Ų | 115.8 | 72% | 0.717 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -70 | -21.8 | 177.5 | -64.1 | -174.7 | 178.2 | -178.1 | 0 | 112.7 | S28 K32 H33 | S28-K30 PolarHBondContact O-N 2.93Å; S28-K30 WeakPolarHBondContact OG-CB 3.2Å; S28-K30 PolarHBondContact OG-N 3.28Å; K30-K32 VanDerWaalsContact C-N 3.29Å; K30-K32 PolarHBondContact O-N 2.8Å; K30-H33 PolarHBondContact O-CE1 2.85Å; K30-H33 PolarHBondContact O-NE2 2.95Å; K30-H33 VanDerWaalsContact O-NE2 3.09Å |
| 31 | N | 55.7 | Low | 55.9 | Low | 72 Ų | 72 | 118.8 Ų | 118.8 | 39% | 0.385 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -94.3 | 20.5 | -174.4 | -63.4 | -0.5 | 0 | 0 | 0 | 112.7 | S28 R29 H33 L34 | S28-N31 PolarHBondContact O-N 3.03Å; S28-N31 VanDerWaalsContact O-N 3.11Å; R29-N31 VanDerWaalsContact C-N 3.27Å; R29-N31 PolarHBondContact O-N 3.15Å; N31-H33 PolarHBondContact O-N 3.42Å; N31-L34 HydrophobicContact CB-CD1 4.02Å; N31-L34 PolarHBondContact O-N 3.18Å |
| 32 | K | 57.4 | Low | 55.8 | Low | 145 Ų | 145 | 114.7 Ų | 114.7 | 63% | 0.63 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -65.2 | -29.3 | -175.6 | -170.3 | 170.9 | -178 | -179.8 | 0 | 112.9 | R26 K30 E35 | R26-K32 PolarHBondContact NH1-O 2.98Å; K30-K32 VanDerWaalsContact C-N 3.29Å; K30-K32 PolarHBondContact O-N 2.8Å; K32-E35 WeakPolarHBondContact O-CG 3.38Å |
| 33 | H | 54 | Low | 55.7 | Low | 79 Ų | 79 | 116.4 Ų | 116.4 | 37% | 0.366 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -88.8 | -3.4 | -179.2 | 34.8 | -87.7 | 0 | 0 | 0 | 114.1 | K30 N31 E35 N44 | K30-H33 PolarHBondContact O-CE1 2.85Å; K30-H33 PolarHBondContact O-NE2 2.95Å; K30-H33 VanDerWaalsContact O-NE2 3.09Å; N31-H33 PolarHBondContact O-N 3.42Å; H33-E35 VanDerWaalsContact C-N 3.27Å; H33-E35 PolarHBondContact O-N 3.27Å; H33-N44 PolarHBondContact O-ND2 3.12Å; H33-N44 VanDerWaalsContact O-ND2 3.1Å |
| 34 | L | 57.6 | Low | 55.8 | Low | 65 Ų | 65 | 114 Ų | 114 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | trans | -94.9 | 36 | 176.8 | -65.2 | 163.5 | 0 | 0 | 0 | 111.2 | N31 V36 Y41 | N31-L34 HydrophobicContact CB-CD1 4.02Å; N31-L34 PolarHBondContact O-N 3.18Å; L34-V36 PolarHBondContact O-N 3.04Å; L34-Y41 HydrophobicContact CD2-CE2 3.81Å | ||
| 35 | E | 57.7 | Low | 55.7 | Low | 92 Ų | 92 | 116 Ų | 116 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | trans | -70 | 114.9 | 178.8 | -78.9 | 174.1 | -166.5 | 0 | 0 | 109.9 | R26 K32 H33 T37 | R26-E35 IonicContact CZ-OE1 3.99Å; R26-E35 IonicContact NH1-OE1 2.75Å; R26-E35 PolarHBondContact NH1-OE1 3.11Å; R26-E35 IonicContact NH2-OE1 3.72Å; R26-E35 PolarHBondContact NH2-OE1 3.46Å; K32-E35 WeakPolarHBondContact O-CG 3.38Å; H33-E35 VanDerWaalsContact C-N 3.27Å; H33-E35 PolarHBondContact O-N 3.27Å; E35-T37 PolarHBondContact O-N 3.02Å | ||
| 36 | V | 56.8 | Low | 55.9 | Low | 72 Ų | 72 | 115.3 Ų | 115.3 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 115.8 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 108 | L34 | L34-V36 PolarHBondContact O-N 3.04Å |
| 37 | T | 58 | Low | 56.1 | Low | 44 Ų | 44 | 110.3 Ų | 110.3 | 27% | 0.27 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 161.4 | 171.8 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | E35 Y39 G40 | E35-T37 PolarHBondContact O-N 3.02Å; T37-Y39 PolarHBondContact O-N 3.29Å; T37-Y39 VanDerWaalsContact O-N 3.08Å; T37-G40 PolarHBondContact N-O 3.47Å; T37-G40 CarbonylContact O-C 3.6Å; T37-G40 PolarHBondContact O-N 3.12Å; T37-G40 VanDerWaalsContact O-O 3.08Å; T37-G40 PolarHBondContact OG1-O 3.35Å |
| 38 | D | 61.3 | Low | 56.1 | Low | 88 Ų | 88 | 109.1 Ų | 109.1 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.4 | -179.9 | -60.3 | -28.7 | 0 | 0 | 0 | 113 | H19 S20 G40 | H19-D38 PolarHBondContact N-OD2 3.01Å; S20-D38 PolarHBondContact OG-OD1 3.29Å; D38-G40 VanDerWaalsContact C-N 3.27Å; D38-G40 PolarHBondContact O-N 3.26Å |
| 39 | Y | 59.8 | Low | 56.3 | Low | 167 Ų | 167 | 111 Ų | 111 | 66% | 0.655 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 7.6 | 172.9 | -51.9 | -75.4 | 0 | 0 | 0 | 114.2 | T37 | T37-Y39 PolarHBondContact O-N 3.29Å; T37-Y39 VanDerWaalsContact O-N 3.08Å |
| 40 | G | 60.1 | Low | 56.5 | Low | 33 Ų | 33 | 103.1 Ų | 103.1 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.3 | -174 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T37 D38 | T37-G40 PolarHBondContact N-O 3.47Å; T37-G40 CarbonylContact O-C 3.6Å; T37-G40 PolarHBondContact O-N 3.12Å; T37-G40 VanDerWaalsContact O-O 3.08Å; T37-G40 PolarHBondContact OG1-O 3.35Å; D38-G40 VanDerWaalsContact C-N 3.27Å; D38-G40 PolarHBondContact O-N 3.26Å |
| 41 | Y | 61 | Low | 56.9 | Low | 98 Ų | 98 | 100.7 Ų | 100.7 | 38% | 0.384 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 120 | 178.8 | 169.3 | -91.9 | 0 | 0 | 0 | 110 | L34 W43 | L34-Y41 HydrophobicContact CD2-CE2 3.81Å; Y41-W43 HydrophobicContact CD1-CB 4.26Å; Y41-W43 HydrophobicContact CD1-CE3 4.44Å; Y41-W43 HydrophobicContact CE1-CB 3.51Å; Y41-W43 AromaticContact CE1-CD2 3.83Å; Y41-W43 HydrophobicContact CE1-CD2 3.83Å; Y41-W43 AromaticContact CE1-CE3 3.28Å; Y41-W43 HydrophobicContact CE1-CE3 3.28Å; Y41-W43 AromaticContact CE1-CG 4Å; Y41-W43 HydrophobicContact CE1-CG 4Å; Y41-W43 HydrophobicContact CE1-CZ3 4.18Å; Y41-W43 AromaticContact CZ-CE3 3.6Å; Y41-W43 PolarHBondContact O-N 3.2Å; Y41-W43 WeakPolarHBondContact OH-CZ3 3.34Å |
| 42 | Y | 53.4 | Low | 57.4 | Low | 160 Ų | 160 | 102.8 Ų | 102.8 | 63% | 0.627 | 51% | 0.508 | S | S | * | . | trans | -82.7 | 108.7 | 166.7 | -89 | -88.5 | 0 | 0 | 0 | 109 | N44 | Y42-N44 PolarHBondContact O-N 3.3Å; Y42-N44 VanDerWaalsContact O-N 3.12Å | ||
| 43 | W | 54.4 | Low | 57.8 | Low | 134 Ų | 134 | 101 Ų | 101 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | trans | -67.6 | 107.9 | 169.4 | -167.4 | -86.7 | 0 | 0 | 0 | 108.7 | Y41 Y45 | Y41-W43 HydrophobicContact CD1-CB 4.26Å; Y41-W43 HydrophobicContact CD1-CE3 4.44Å; Y41-W43 HydrophobicContact CE1-CB 3.51Å; Y41-W43 AromaticContact CE1-CD2 3.83Å; Y41-W43 HydrophobicContact CE1-CD2 3.83Å; Y41-W43 AromaticContact CE1-CE3 3.28Å; Y41-W43 HydrophobicContact CE1-CE3 3.28Å; Y41-W43 AromaticContact CE1-CG 4Å; Y41-W43 HydrophobicContact CE1-CG 4Å; Y41-W43 HydrophobicContact CE1-CZ3 4.18Å; Y41-W43 AromaticContact CZ-CE3 3.6Å; Y41-W43 PolarHBondContact O-N 3.2Å; Y41-W43 WeakPolarHBondContact OH-CZ3 3.34Å; W43-Y45 AromaticContact CD1-CD1 3.76Å; W43-Y45 PolarHBondContact O-N 3.29Å | ||
| 44 | N | 56.6 | Low | 58.3 | Low | 71 Ų | 71 | 103.3 Ų | 103.3 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | trans | -75.4 | 103 | 167.8 | -80.6 | -30.7 | 0 | 0 | 0 | 107.8 | H33 Y42 H46 | H33-N44 PolarHBondContact O-ND2 3.12Å; H33-N44 VanDerWaalsContact O-ND2 3.1Å; Y42-N44 PolarHBondContact O-N 3.3Å; Y42-N44 VanDerWaalsContact O-N 3.12Å; N44-H46 PolarHBondContact O-N 3.18Å | ||
| 45 | Y | 54.7 | Low | 59.1 | Low | 185 Ų | 185 | 108.2 Ų | 108.2 | 73% | 0.725 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -58.2 | -4.6 | 175.7 | -63.5 | -81.6 | 0 | 0 | 0 | 114.4 | W43 | W43-Y45 AromaticContact CD1-CD1 3.76Å; W43-Y45 PolarHBondContact O-N 3.29Å |
| 46 | H | 56.3 | Low | 59.8 | Low | 123 Ų | 123 | 113.5 Ų | 113.5 | 57% | 0.569 | 56% | 0.557 | S | S | * | * | trans | -132.9 | 68.3 | -177.1 | -56.1 | -47.3 | 0 | 0 | 0 | 110.4 | N44 L52 | N44-H46 PolarHBondContact O-N 3.18Å; H46-L52 HydrophobicContact CB-CD2 4.3Å; H46-L52 WeakPolarHBondContact ND1-CD2 3.41Å | ||
| 47 | N | 55.5 | Low | 60.7 | Low | 25 Ų | 25 | 116.9 Ų | 116.9 | 13% | 0.134 | 57% | 0.573 | C | S | . | * | trans | -72 | 136.2 | 166.3 | -70.3 | -34.6 | 0 | 0 | 0 | 109.4 | G49 E50 | N47-G49 PolarHBondContact O-N 3.3Å; N47-E50 HydrophobicContact CB-CB 4.42Å; N47-E50 HydrophobicContact CB-CG 4.04Å; N47-E50 PolarHBondContact ND2-OE1 3.4Å; N47-E50 PolarHBondContact O-N 3.45Å | ||
| 48 | L | 50.5 | Low | 61.6 | Low | 177 Ų | 177 | 118.2 Ų | 118.2 | 93% | 0.927 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 96.7 | 173.1 | -82.8 | 157.6 | 0 | 0 | 0 | 109.5 | ||
| 49 | G | 56.7 | Low | 62.2 | Low | 84 Ų | 84 | 122.1 Ų | 122.1 | 87% | 0.866 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.4 | -16.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N47 | N47-G49 PolarHBondContact O-N 3.3Š|
| 50 | E | 56.6 | Low | 63.1 | Low | 86 Ų | 86 | 123.3 Ų | 123.3 | 40% | 0.402 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -80.3 | 147.8 | 170.8 | -75 | 174.4 | -162.4 | 0 | 0 | 110.8 | N47 L52 | N47-E50 HydrophobicContact CB-CB 4.42Å; N47-E50 HydrophobicContact CB-CG 4.04Å; N47-E50 PolarHBondContact ND2-OE1 3.4Å; N47-E50 PolarHBondContact O-N 3.45Å; E50-L52 PolarHBondContact O-N 3.36Å |
| 51 | L | 60.6 | Low | 63.8 | Low | 114 Ų | 114 | 127 Ų | 127 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | trans | -67.2 | 108.4 | -179.1 | -62.2 | 168.4 | 0 | 0 | 0 | 108.8 | V62 | L51-V62 HydrophobicContact CD2-CG1 3.85Å; L51-V62 HydrophobicContact CD2-CG2 4.26Å | ||
| 52 | L | 66.6 | Low | 64.5 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 61% | 0.613 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 143.6 | 170 | -68.1 | 173.2 | 0 | 0 | 0 | 109.4 | H46 E50 R54 | H46-L52 HydrophobicContact CB-CD2 4.3Å; H46-L52 WeakPolarHBondContact ND1-CD2 3.41Å; E50-L52 PolarHBondContact O-N 3.36Å; L52-R54 PolarHBondContact O-N 3.36Å; L52-R54 VanDerWaalsContact O-N 3.11Å |
| 53 | P | 65.8 | Low | 65.6 | Low | 107 Ų | 107 | 127.2 Ų | 127.2 | 70% | 0.695 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124.1 | 173.4 | 21.3 | -30.1 | 0 | 0 | 0 | 108.9 | ||
| 54 | R | 65.2 | Low | 66.9 | Low | 127 Ų | 127 | 127.7 Ų | 127.7 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 144.3 | 178.3 | -79.2 | 172.9 | 160.8 | -112.4 | -7.1 | 109.5 | L52 K56 D58 R60 | L52-R54 PolarHBondContact O-N 3.36Å; L52-R54 VanDerWaalsContact O-N 3.11Å; R54-K56 PolarHBondContact O-N 3.2Å; R54-D58 PolarHBondContact NH1-O 3.47Å; R54-R60 PolarHBondContact NH1-O 3.46Å; R54-R60 PolarHBondContact NH2-O 3.35Å |
| 55 | K | 74.1 | Confident | 68.3 | Low | 168 Ų | 168 | 130.3 Ų | 130.3 | 73% | 0.73 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 132.2 | 160.9 | -70.9 | -179.6 | 179.1 | -179.9 | 0 | 107.5 | D57 D58 | K55-D57 PolarHBondContact O-N 3.05Å; K55-D58 HydrophobicContact CB-CB 3.89Å; K55-D58 PolarHBondContact O-N 3.07Å |
| 56 | K | 71 | Confident | 70 | Confident | 203 Ų | 203 | 125.5 Ų | 125.5 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -31.1 | -172.8 | -168.5 | 178.5 | 177.5 | -175.3 | 0 | 113.1 | R54 | R54-K56 PolarHBondContact O-N 3.2Š|
| 57 | D | 77.7 | Confident | 71.6 | Confident | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 2.8 | -174.8 | -46.4 | -43.2 | 0 | 0 | 0 | 113.6 | K55 M59 | K55-D57 PolarHBondContact O-N 3.05Å; D57-M59 PolarHBondContact O-N 2.86Å |
| 58 | D | 75.2 | Confident | 73.4 | Confident | 71 Ų | 71 | 134.8 Ų | 134.8 | 38% | 0.38 | 69% | 0.693 | S | S | . | * | trans | -89 | 101.7 | -177.8 | -164.5 | -1.6 | 0 | 0 | 0 | 111.4 | R54 K55 R60 | R54-D58 PolarHBondContact NH1-O 3.47Å; K55-D58 HydrophobicContact CB-CB 3.89Å; K55-D58 PolarHBondContact O-N 3.07Å; D58-R60 VanDerWaalsContact C-N 3.29Å; D58-R60 PolarHBondContact O-N 3.36Å; D58-R60 WeakPolarHBondContact OD1-CB 3.18Å; D58-R60 WeakPolarHBondContact OD1-CG 3.12Å; D58-R60 PolarHBondContact OD1-N 3.31Å | ||
| 59 | M | 74.1 | Confident | 75.5 | Confident | 170 Ų | 170 | 133.4 Ų | 133.4 | 84% | 0.837 | 69% | 0.685 | S | S | * | * | trans | -81.2 | -3.1 | -177.5 | -61.4 | -62.4 | -77.4 | 0 | 0 | 113.5 | D57 | D57-M59 PolarHBondContact O-N 2.86Š| ||
| 60 | R | 78.4 | Confident | 77.3 | Confident | 193 Ų | 193 | 136.6 Ų | 136.6 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | trans | -63.7 | 128.6 | 179.1 | -67.8 | 176.7 | -178.7 | -178.9 | 1.6 | 110 | R54 D58 | R54-R60 PolarHBondContact NH1-O 3.46Å; R54-R60 PolarHBondContact NH2-O 3.35Å; D58-R60 VanDerWaalsContact C-N 3.29Å; D58-R60 PolarHBondContact O-N 3.36Å; D58-R60 WeakPolarHBondContact OD1-CB 3.18Å; D58-R60 WeakPolarHBondContact OD1-CG 3.12Å; D58-R60 PolarHBondContact OD1-N 3.31Å | ||
| 61 | P | 74.8 | Confident | 79.1 | Confident | 111 Ų | 111 | 137.4 Ų | 137.4 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | trans | -63.5 | 150.4 | 175.8 | 24.9 | -31.7 | 0 | 0 | 0 | 111 | E63 | P61-E63 PolarHBondContact O-N 2.89Š| ||
| 62 | V | 76.3 | Confident | 80.8 | Confident | 71 Ų | 71 | 137.4 Ų | 137.4 | 43% | 0.43 | 68% | 0.679 | S | S | . | * | trans | -74.7 | 114.6 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 105.5 | L51 K64 | L51-V62 HydrophobicContact CD2-CG1 3.85Å; L51-V62 HydrophobicContact CD2-CG2 4.26Å; V62-K64 HydrophobicContact CG1-CG 4.25Å; V62-K64 PolarHBondContact O-N 3.26Å | ||
| 63 | E | 77.7 | Confident | 82.2 | Confident | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | trans | -62.7 | 99.5 | 174.1 | -67.6 | -179.1 | -173 | 0 | 0 | 108.9 | P61 | P61-E63 PolarHBondContact O-N 2.89Š| ||
| 64 | K | 80.4 | Confident | 83.7 | Confident | 144 Ų | 144 | 138.7 Ų | 138.7 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | trans | -105 | 132.9 | 164.2 | -67.1 | -178.2 | 179.1 | 179.4 | 0 | 106.2 | V62 A66 | V62-K64 HydrophobicContact CG1-CG 4.25Å; V62-K64 PolarHBondContact O-N 3.26Å; K64-A66 PolarHBondContact O-N 3.49Å | ||
| 65 | P | 87.1 | Confident | 85.2 | Confident | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.3 | 170.6 | 26.3 | -33.1 | 0 | 0 | 0 | 108 | Y67 | P65-Y67 PolarHBondContact O-N 2.98Š|
| 66 | A | 89 | Confident | 86.2 | Confident | 84 Ų | 84 | 139.8 Ų | 139.8 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 132.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | K64 Q68 | K64-A66 PolarHBondContact O-N 3.49Å; A66-Q68 PolarHBondContact O-N 2.9Å |
| 67 | Y | 91.3 | Very high | 87.4 | Confident | 195 Ų | 195 | 134.5 Ų | 134.5 | 77% | 0.765 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 121.9 | 175.8 | 175.3 | -108.3 | 0 | 0 | 0 | 109.2 | P65 L69 | P65-Y67 PolarHBondContact O-N 2.98Å; Y67-L69 HydrophobicContact CD1-CG 4.27Å; Y67-L69 HydrophobicContact CE1-CD1 4.49Å; Y67-L69 HydrophobicContact CE1-CD2 3.64Å; Y67-L69 HydrophobicContact CE1-CG 3.56Å |
| 68 | Q | 92.5 | Very high | 88.4 | Confident | 148 Ų | 148 | 130.4 Ų | 130.4 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | trans | -105.7 | 112.2 | 176.6 | -67.7 | 179.9 | -5.7 | 0 | 0 | 108.9 | A66 K70 | A66-Q68 PolarHBondContact O-N 2.9Å; Q68-K70 PolarHBondContact O-N 3.38Å | ||
| 69 | L | 94.1 | Very high | 89.4 | Confident | 147 Ų | 147 | 130.9 Ų | 130.9 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124.1 | 167.8 | -77.1 | 154.6 | 0 | 0 | 0 | 108.5 | Y67 | Y67-L69 HydrophobicContact CD1-CG 4.27Å; Y67-L69 HydrophobicContact CE1-CD1 4.49Å; Y67-L69 HydrophobicContact CE1-CD2 3.64Å; Y67-L69 HydrophobicContact CE1-CG 3.56Å |
| 70 | K | 94 | Very high | 90.4 | Very high | 152 Ų | 152 | 131.4 Ų | 131.4 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 117 | 174.9 | -66.6 | -176.8 | -179.2 | -177.4 | 0 | 108.8 | Q68 Q72 | Q68-K70 PolarHBondContact O-N 3.38Å; K70-Q72 PolarHBondContact O-N 3.16Å |
| 71 | D | 95.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 123.7 Ų | 123.7 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 119 | 168.3 | -174.9 | 7.8 | 0 | 0 | 0 | 109.2 | W73 C74 K77 | D71-W73 PolarHBondContact OD1-N 3.27Å; D71-C74 HydrophobicContact CB-CB 4.44Å; D71-C74 PolarHBondContact OD1-N 3.25Å; D71-C74 PolarHBondContact OD2-N 3.05Å; D71-K77 PolarHBondContact O-NZ 2.86Å |
| 72 | Q | 95.6 | Very high | 92.1 | Very high | 114 Ų | 114 | 123.9 Ų | 123.9 | 53% | 0.533 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -87.2 | -17 | 178.9 | -57.6 | -56.6 | -16.7 | 0 | 0 | 112.3 | K70 K77 | K70-Q72 PolarHBondContact O-N 3.16Å; Q72-K77 WeakPolarHBondContact O-CD 3.3Å |
| 73 | W | 95.8 | Very high | 93 | Very high | 215 Ų | 215 | 124.7 Ų | 124.7 | 81% | 0.814 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -113 | 21.9 | -176.1 | -64.9 | 107.6 | 0 | 0 | 0 | 112.3 | D71 | D71-W73 PolarHBondContact OD1-N 3.27Š|
| 74 | C | 96.6 | Very high | 93.8 | Very high | 36 Ų | 36 | 119.8 Ų | 119.8 | 24% | 0.243 | 60% | 0.597 | C | S | . | * | trans | -58.8 | 149.5 | 169.5 | 78.2 | 0 | 0 | 0 | 0 | 109.5 | D71 E76 K77 A78 | D71-C74 HydrophobicContact CB-CB 4.44Å; D71-C74 PolarHBondContact OD1-N 3.25Å; D71-C74 PolarHBondContact OD2-N 3.05Å; C74-E76 PolarHBondContact O-N 3.45Å; C74-E76 VanDerWaalsContact O-N 3.11Å; C74-K77 PolarHBondContact O-N 3.2Å; C74-A78 PolarHBondContact O-N 2.98Å | ||
| 75 | Q | 97.5 | Very high | 94.5 | Very high | 151 Ų | 151 | 120.6 Ų | 120.6 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -52.1 | -40.6 | -173.9 | -174.6 | 176.4 | 5.1 | 0 | 0 | 113 | K77 A78 L79 | Q75-K77 PolarHBondContact O-N 3.42Å; Q75-A78 PolarHBondContact O-N 3.49Å; Q75-L79 HydrophobicContact CG-CD1 3.59Å; Q75-L79 HydrophobicContact CG-CG 4.13Å; Q75-L79 VanDerWaalsContact O-CB 3.3Å; Q75-L79 WeakPolarHBondContact O-CB 3.45Å; Q75-L79 VanDerWaalsContact O-CG 3.26Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 2.85Å |
| 76 | E | 95.2 | Very high | 94.9 | Very high | 167 Ų | 167 | 117 Ų | 117 | 78% | 0.78 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.6 | -40.3 | 178.8 | -61.4 | 179.9 | 168.1 | 0 | 0 | 113.1 | C74 F80 | C74-E76 PolarHBondContact O-N 3.45Å; C74-E76 VanDerWaalsContact O-N 3.11Å; E76-F80 PolarHBondContact O-N 3.03Å |
| 77 | K | 96.8 | Very high | 95.1 | Very high | 93 Ų | 93 | 115.8 Ų | 115.8 | 40% | 0.404 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.4 | -40.7 | 177.5 | -72.4 | 178.3 | -179.3 | 176.7 | 0 | 111.7 | D71 Q72 C74 Q75 L79 F80 | D71-K77 PolarHBondContact O-NZ 2.86Å; Q72-K77 WeakPolarHBondContact O-CD 3.3Å; C74-K77 PolarHBondContact O-N 3.2Å; Q75-K77 PolarHBondContact O-N 3.42Å; K77-L79 VanDerWaalsContact C-N 3.3Å; K77-L79 PolarHBondContact O-N 3.4Å; K77-F80 VanDerWaalsContact O-CB 3.31Å; K77-F80 WeakPolarHBondContact O-CB 3.31Å; K77-F80 PolarHBondContact O-N 3.38Å |
| 78 | A | 97.3 | Very high | 95.3 | Very high | 57 Ų | 57 | 113.1 Ų | 113.1 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -35.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | C74 Q75 | C74-A78 PolarHBondContact O-N 2.98Å; Q75-A78 PolarHBondContact O-N 3.49Å |
| 79 | L | 96.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 113.3 Ų | 113.3 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | 5.2 | 177.3 | -57.6 | -178.6 | 0 | 0 | 0 | 113.4 | Q75 K77 G81 Q82 | Q75-L79 HydrophobicContact CG-CD1 3.59Å; Q75-L79 HydrophobicContact CG-CG 4.13Å; Q75-L79 VanDerWaalsContact O-CB 3.3Å; Q75-L79 WeakPolarHBondContact O-CB 3.45Å; Q75-L79 VanDerWaalsContact O-CG 3.26Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 2.85Å; K77-L79 VanDerWaalsContact C-N 3.3Å; K77-L79 PolarHBondContact O-N 3.4Å; L79-G81 PolarHBondContact O-N 3.36Å; L79-Q82 WeakPolarHBondContact O-CB 3.4Å; L79-Q82 PolarHBondContact O-N 2.94Å; L79-Q82 VanDerWaalsContact O-N 3.13Å |
| 80 | F | 95.3 | Very high | 95.4 | Very high | 181 Ų | 181 | 108.2 Ų | 108.2 | 79% | 0.794 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 131.8 | 179.5 | -178.8 | -96.2 | 0 | 0 | 0 | 111 | E76 K77 Q82 | E76-F80 PolarHBondContact O-N 3.03Å; K77-F80 VanDerWaalsContact O-CB 3.31Å; K77-F80 WeakPolarHBondContact O-CB 3.31Å; K77-F80 PolarHBondContact O-N 3.38Å; F80-Q82 PolarHBondContact O-N 2.82Å |
| 81 | G | 94.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 108.2 Ų | 108.2 | 33% | 0.33 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 1.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L79 N83 D84 | L79-G81 PolarHBondContact O-N 3.36Å; G81-N83 PolarHBondContact O-N 3.43Å; G81-D84 WeakPolarHBondContact CA-OD2 3.34Å; G81-D84 PolarHBondContact O-N 3.37Å |
| 82 | Q | 94.7 | Very high | 95.3 | Very high | 115 Ų | 115 | 105.4 Ų | 105.4 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 128 | 171.4 | -169.1 | 179.8 | 13.5 | 0 | 0 | 109.7 | L79 F80 | L79-Q82 WeakPolarHBondContact O-CB 3.4Å; L79-Q82 PolarHBondContact O-N 2.94Å; L79-Q82 VanDerWaalsContact O-N 3.13Å; F80-Q82 PolarHBondContact O-N 2.82Å |
| 83 | N | 94.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 105.3 Ų | 105.3 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 14.7 | -179.3 | -49.9 | -41.7 | 0 | 0 | 0 | 116.6 | G81 Y85 I86 L99 | G81-N83 PolarHBondContact O-N 3.43Å; N83-Y85 PolarHBondContact O-N 3.04Å; N83-I86 HydrophobicContact CB-CB 4.29Å; N83-I86 HydrophobicContact CB-CD1 4.48Å; N83-I86 WeakPolarHBondContact O-CB 3.5Å; N83-I86 WeakPolarHBondContact O-CG2 3.49Å; N83-I86 PolarHBondContact O-N 3.41Å; N83-L99 HydrophobicContact CB-CD1 3.94Å; N83-L99 WeakPolarHBondContact O-CD1 3.4Å |
| 84 | D | 94.5 | Very high | 95.2 | Very high | 87 Ų | 87 | 98.2 Ų | 98.2 | 47% | 0.465 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.5 | 175.3 | -77.6 | -6.3 | 0 | 0 | 0 | 112.8 | G81 | G81-D84 WeakPolarHBondContact CA-OD2 3.34Å; G81-D84 PolarHBondContact O-N 3.37Å |
| 85 | Y | 95.4 | Very high | 95 | Very high | 161 Ų | 161 | 101.2 Ų | 101.2 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 24.3 | 178.9 | -57.2 | -66.6 | 0 | 0 | 0 | 113.3 | N83 D87 L88 L89 | N83-Y85 PolarHBondContact O-N 3.04Å; Y85-D87 PolarHBondContact O-N 2.92Å; Y85-D87 VanDerWaalsContact O-N 3.15Å; Y85-L88 HydrophobicContact CD1-CD1 3.8Å; Y85-L88 PolarHBondContact O-N 3.13Å; Y85-L89 PolarHBondContact O-N 3.19Å |
| 86 | I | 95.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 96 Ų | 96 | 26% | 0.256 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.5 | -31.3 | -179.6 | -167.8 | 167 | 0 | 0 | 0 | 112.9 | N83 G90 L99 | N83-I86 HydrophobicContact CB-CB 4.29Å; N83-I86 HydrophobicContact CB-CD1 4.48Å; N83-I86 WeakPolarHBondContact O-CB 3.5Å; N83-I86 WeakPolarHBondContact O-CG2 3.49Å; N83-I86 PolarHBondContact O-N 3.41Å; I86-G90 WeakPolarHBondContact O-CA 3.49Å; I86-G90 PolarHBondContact O-N 3.24Å; I86-L99 HydrophobicContact CG2-CD1 3.93Å |
| 87 | D | 94.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 88.8 Ų | 88.8 | 32% | 0.316 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.4 | -39 | 178.8 | -161.6 | -3.6 | 0 | 0 | 0 | 111.2 | Y85 G92 H95 | Y85-D87 PolarHBondContact O-N 2.92Å; Y85-D87 VanDerWaalsContact O-N 3.15Å; D87-G92 WeakPolarHBondContact OD1-CA 3.32Å; D87-H95 IonicContact OD2-CD2 3.9Å; D87-H95 PolarHBondContact OD2-CD2 3Å |
| 88 | L | 95.6 | Very high | 94.7 | Very high | 139 Ų | 139 | 89.1 Ų | 89.1 | 73% | 0.728 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.7 | -36.8 | -179.1 | -60.2 | 179.8 | 0 | 0 | 0 | 113.4 | Y85 | Y85-L88 HydrophobicContact CD1-CD1 3.8Å; Y85-L88 PolarHBondContact O-N 3.13Å |
| 89 | L | 95.3 | Very high | 94.5 | Very high | 153 Ų | 153 | 88.6 Ų | 88.6 | 80% | 0.801 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -101.8 | -12.1 | -173.9 | -60.6 | 179.4 | 0 | 0 | 0 | 113.5 | Y85 | Y85-L89 PolarHBondContact O-N 3.19Å |
| 90 | G | 92.3 | Very high | 94.4 | Very high | 39 Ų | 39 | 87.9 Ų | 87.9 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -103.8 | -152.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I86 G92 | I86-G90 WeakPolarHBondContact O-CA 3.49Å; I86-G90 PolarHBondContact O-N 3.24Å; G90-G92 VanDerWaalsContact C-N 3.27Å; G90-G92 PolarHBondContact O-N 2.7Å |
| 91 | N | 95 | Very high | 94.2 | Very high | 153 Ų | 153 | 88 Ų | 88 | 82% | 0.818 | 47% | 0.469 | S | S | * | . | trans | -83.9 | 3.3 | -177.7 | -60.9 | -11.9 | 0 | 0 | 0 | 113.6 | T93 | N91-T93 HydrophobicContact CB-CG2 4.02Å; N91-T93 PolarHBondContact O-N 2.88Å | ||
| 92 | G | 92.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 94 Ų | 94 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | S | Bend | trans | 67.4 | 10.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D87 G90 | D87-G92 WeakPolarHBondContact OD1-CA 3.32Å; G90-G92 VanDerWaalsContact C-N 3.27Å; G90-G92 PolarHBondContact O-N 2.7Å |
| 93 | T | 95.2 | Very high | 94.1 | Very high | 113 Ų | 113 | 90 Ų | 90 | 69% | 0.693 | 47% | 0.471 | S | S | * | . | trans | -77.1 | -23.1 | -175.8 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | N91 | N91-T93 HydrophobicContact CB-CG2 4.02Å; N91-T93 PolarHBondContact O-N 2.88Å | ||
| 94 | I | 93.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 88.8 Ų | 88.8 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -126.7 | 121.7 | -174.5 | -61.4 | 171.4 | 0 | 0 | 0 | 108.2 | Q98 L99 | I94-Q98 HydrophobicContact CG2-CB 4.3Å; I94-L99 HydrophobicContact CG2-CD2 4.1Å; I94-L99 HydrophobicContact CG2-CG 4.37Å |
| 95 | H | 93.5 | Very high | 94 | Very high | 100 Ų | 100 | 89 Ų | 89 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | trans | -83.7 | 140.3 | 174 | -175.7 | -89.7 | 0 | 0 | 0 | 109.8 | D87 A97 Q98 | D87-H95 IonicContact OD2-CD2 3.9Å; D87-H95 PolarHBondContact OD2-CD2 3Å; H95-A97 WeakPolarHBondContact ND1-CB 3.25Å; H95-A97 PolarHBondContact ND1-N 3.26Å; H95-A97 VanDerWaalsContact ND1-N 3.18Å; H95-A97 PolarHBondContact O-N 3.3Å; H95-Q98 VanDerWaalsContact O-CB 3.3Å; H95-Q98 WeakPolarHBondContact O-CB 3.48Å; H95-Q98 PolarHBondContact O-N 3.46Å | ||
| 96 | P | 94.4 | Very high | 94 | Very high | 40 Ų | 40 | 83.9 Ų | 83.9 | 26% | 0.26 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -54.8 | -30.5 | -176.5 | 19.1 | -34.2 | 0 | 0 | 0 | 114.1 | Q98 L99 | P96-Q98 PolarHBondContact O-N 3.35Å; P96-Q98 VanDerWaalsContact O-N 3.12Å; P96-L99 WeakPolarHBondContact O-CB 3.41Å; P96-L99 PolarHBondContact O-N 3.04Å |
| 97 | A | 93.9 | Very high | 93.9 | Very high | 17 Ų | 17 | 83.6 Ų | 83.6 | 14% | 0.14 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -58 | -26.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H95 R108 | H95-A97 WeakPolarHBondContact ND1-CB 3.25Å; H95-A97 PolarHBondContact ND1-N 3.26Å; H95-A97 VanDerWaalsContact ND1-N 3.18Å; H95-A97 PolarHBondContact O-N 3.3Å; A97-R108 WeakPolarHBondContact O-CB 3.28Å; A97-R108 WeakPolarHBondContact O-CD 3.41Å |
| 98 | Q | 93.4 | Very high | 93.8 | Very high | 100 Ų | 100 | 85.3 Ų | 85.3 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -75.4 | -27.2 | 178.5 | -63.1 | 176.2 | -33.4 | 0 | 0 | 112.3 | I94 H95 P96 L100 R108 | I94-Q98 HydrophobicContact CG2-CB 4.3Å; H95-Q98 VanDerWaalsContact O-CB 3.3Å; H95-Q98 WeakPolarHBondContact O-CB 3.48Å; H95-Q98 PolarHBondContact O-N 3.46Å; P96-Q98 PolarHBondContact O-N 3.35Å; P96-Q98 VanDerWaalsContact O-N 3.12Å; Q98-L100 PolarHBondContact O-N 3.04Å; Q98-R108 PolarHBondContact O-NH1 3.35Å; Q98-R108 VanDerWaalsContact O-NH1 3.12Å |
| 99 | L | 93.7 | Very high | 93.5 | Very high | 45 Ų | 45 | 81.3 Ų | 81.3 | 24% | 0.236 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -71.5 | -10.4 | 178.2 | -61.2 | -179 | 0 | 0 | 0 | 113.5 | N83 I86 I94 P96 Y101 | N83-L99 HydrophobicContact CB-CD1 3.94Å; N83-L99 WeakPolarHBondContact O-CD1 3.4Å; I86-L99 HydrophobicContact CG2-CD1 3.93Å; I94-L99 HydrophobicContact CG2-CD2 4.1Å; I94-L99 HydrophobicContact CG2-CG 4.37Å; P96-L99 WeakPolarHBondContact O-CB 3.41Å; P96-L99 PolarHBondContact O-N 3.04Å; L99-Y101 HydrophobicContact CD2-CE2 4.45Å; L99-Y101 WeakPolarHBondContact O-CD2 3.38Å; L99-Y101 PolarHBondContact O-N 2.85Å |
| 100 | L | 93.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 76.1 Ų | 76.1 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | trans | -74.1 | 64.6 | 178.4 | -61 | 175.8 | 0 | 0 | 0 | 111.7 | Q98 H102 V103 R108 | Q98-L100 PolarHBondContact O-N 3.04Å; L100-H102 PolarHBondContact O-N 3.26Å; L100-V103 HydrophobicContact CB-CB 4.06Å; L100-V103 HydrophobicContact CB-CG2 3.92Å; L100-V103 HydrophobicContact CD1-CG2 4.48Å; L100-V103 WeakPolarHBondContact O-CB 3.45Å; L100-V103 PolarHBondContact O-N 2.9Å; L100-R108 HydrophobicContact CB-CG 4.31Å | ||
| 101 | Y | 92.5 | Very high | 92.8 | Very high | 184 Ų | 184 | 78.5 Ų | 78.5 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.3 | -176.5 | -62.6 | -65.8 | 0 | 0 | 0 | 113.9 | L99 V103 | L99-Y101 HydrophobicContact CD2-CE2 4.45Å; L99-Y101 WeakPolarHBondContact O-CD2 3.38Å; L99-Y101 PolarHBondContact O-N 2.85Å; Y101-V103 VanDerWaalsContact C-N 3.26Å; Y101-V103 PolarHBondContact O-N 3.34Å |
| 102 | H | 92.8 | Very high | 91.8 | Very high | 159 Ų | 159 | 73.8 Ų | 73.8 | 74% | 0.736 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.2 | 175.4 | 64.6 | -88.1 | 0 | 0 | 0 | 112.9 | L100 | L100-H102 PolarHBondContact O-N 3.26Š|
| 103 | V | 93.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 81.1 Ų | 81.1 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -95.3 | 136.1 | -179.3 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | L100 Y101 L107 R108 | L100-V103 HydrophobicContact CB-CB 4.06Å; L100-V103 HydrophobicContact CB-CG2 3.92Å; L100-V103 HydrophobicContact CD1-CG2 4.48Å; L100-V103 WeakPolarHBondContact O-CB 3.45Å; L100-V103 PolarHBondContact O-N 2.9Å; Y101-V103 VanDerWaalsContact C-N 3.26Å; Y101-V103 PolarHBondContact O-N 3.34Å; V103-L107 HydrophobicContact CG1-CB 3.78Å; V103-L107 HydrophobicContact CG1-CD2 4.07Å; V103-L107 HydrophobicContact CG1-CG 4.07Å; V103-R108 HydrophobicContact CB-CG 4.18Å; V103-R108 HydrophobicContact CG1-CG 4.2Å |
| 104 | P | 94.1 | Very high | 89.4 | Confident | 62 Ų | 62 | 80.8 Ų | 80.8 | 40% | 0.403 | 43% | 0.427 | S | S | . | . | trans | -53.4 | 140.2 | 174.7 | -28.2 | 35.5 | 0 | 0 | 0 | 112.5 | W106 L107 R108 | P104-W106 PolarHBondContact O-N 3.42Å; P104-W106 VanDerWaalsContact O-N 3.07Å; P104-L107 PolarHBondContact O-N 3.31Å; P104-R108 PolarHBondContact O-N 3.34Å | ||
| 105 | P | 93.9 | Very high | 88.1 | Confident | 91 Ų | 91 | 86.2 Ų | 86.2 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -53.6 | -36.5 | -174.5 | -31.4 | 36.1 | 0 | 0 | 0 | 115.3 | L107 R108 | P105-L107 PolarHBondContact O-N 3.33Å; P105-R108 PolarHBondContact O-N 2.93Å |
| 106 | W | 93.5 | Very high | 87.3 | Confident | 55 Ų | 55 | 82 Ų | 82 | 21% | 0.208 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -71.6 | -10.4 | 178.9 | 69.2 | -88.2 | 0 | 0 | 0 | 114.3 | P104 K121 H124 Y125 L128 Y129 | P104-W106 PolarHBondContact O-N 3.42Å; P104-W106 VanDerWaalsContact O-N 3.07Å; W106-K121 HydrophobicContact CZ3-CB 4.23Å; W106-H124 AromaticContact CE3-CD2 3.87Å; W106-H124 PolarHBondContact O-CD2 3.27Å; W106-H124 VanDerWaalsContact O-CD2 3.27Å; W106-H124 PolarHBondContact O-NE2 3.35Å; W106-H124 VanDerWaalsContact O-NE2 3.16Å; W106-Y125 AromaticContact CD2-CD2 3.82Å; W106-Y125 HydrophobicContact CD2-CD2 3.82Å; W106-Y125 AromaticContact CE2-CD2 3.51Å; W106-Y125 HydrophobicContact CE3-CD2 4.18Å; W106-Y125 HydrophobicContact CG-CD2 4.39Å; W106-Y125 HydrophobicContact CH2-CD2 4.01Å; W106-Y125 HydrophobicContact CH2-CG 4.27Å; W106-Y125 AromaticContact CZ2-CD2 3.62Å; W106-Y125 HydrophobicContact CZ2-CD2 3.62Å; W106-Y125 HydrophobicContact CZ2-CE2 4.26Å; W106-Y125 HydrophobicContact CZ2-CG 4.3Å; W106-Y125 HydrophobicContact CZ3-CD2 4.28Å; W106-Y125 HydrophobicContact CZ3-CG 4.44Å; W106-Y125 AromaticContact NE1-CD2 3.88Å; W106-L128 HydrophobicContact CB-CD1 3.45Å; W106-L128 VanDerWaalsContact CB-CD1 3.45Å; W106-L128 HydrophobicContact CG-CD1 4.48Å; W106-Y129 HydrophobicContact CB-CE2 4.26Å; W106-Y129 AromaticContact CD1-CE2 3.96Å; W106-Y129 HydrophobicContact CG-CE2 4.07Å |
| 107 | L | 93.7 | Very high | 86.9 | Confident | 44 Ų | 44 | 81.3 Ų | 81.3 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -110.4 | -8.7 | -178.7 | -166.1 | 67.1 | 0 | 0 | 0 | 112.3 | V103 P104 P105 G109 F110 K121 | V103-L107 HydrophobicContact CG1-CB 3.78Å; V103-L107 HydrophobicContact CG1-CD2 4.07Å; V103-L107 HydrophobicContact CG1-CG 4.07Å; P104-L107 PolarHBondContact O-N 3.31Å; P105-L107 PolarHBondContact O-N 3.33Å; L107-G109 PolarHBondContact O-N 3.43Å; L107-F110 HydrophobicContact CD1-CB 3.96Å; L107-F110 HydrophobicContact CD1-CG 4.11Å; L107-F110 VanDerWaalsContact O-CB 3.28Å; L107-F110 WeakPolarHBondContact O-CB 3.41Å; L107-F110 PolarHBondContact O-N 2.9Å; L107-K121 HydrophobicContact CD1-CD 3.87Å; L107-K121 HydrophobicContact CD1-CG 4.02Å |
| 108 | R | 93.9 | Very high | 86.8 | Confident | 94 Ų | 94 | 84.4 Ų | 84.4 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 126.1 | 178 | -70.7 | -169 | -68.3 | -168.7 | -8.9 | 110.2 | A97 Q98 L100 V103 P104 P105 F110 | A97-R108 WeakPolarHBondContact O-CB 3.28Å; A97-R108 WeakPolarHBondContact O-CD 3.41Å; Q98-R108 PolarHBondContact O-NH1 3.35Å; Q98-R108 VanDerWaalsContact O-NH1 3.12Å; L100-R108 HydrophobicContact CB-CG 4.31Å; V103-R108 HydrophobicContact CB-CG 4.18Å; V103-R108 HydrophobicContact CG1-CG 4.2Å; P104-R108 PolarHBondContact O-N 3.34Å; P105-R108 PolarHBondContact O-N 2.93Å; R108-F110 VanDerWaalsContact C-N 3.26Å; R108-F110 PolarHBondContact O-N 2.92Å |
| 109 | G | 89.8 | Confident | 86.8 | Confident | 55 Ų | 55 | 80.3 Ų | 80.3 | 57% | 0.567 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 9.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L107 | L107-G109 PolarHBondContact O-N 3.43Š|
| 110 | F | 90.1 | Very high | 86.7 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 19% | 0.193 | 42% | 0.419 | C | S | . | . | trans | -70.4 | 133.2 | -179.8 | -160.6 | -83.4 | 0 | 0 | 0 | 111.4 | L107 R108 G112 N117 I120 K121 H124 | L107-F110 HydrophobicContact CD1-CB 3.96Å; L107-F110 HydrophobicContact CD1-CG 4.11Å; L107-F110 VanDerWaalsContact O-CB 3.28Å; L107-F110 WeakPolarHBondContact O-CB 3.41Å; L107-F110 PolarHBondContact O-N 2.9Å; R108-F110 VanDerWaalsContact C-N 3.26Å; R108-F110 PolarHBondContact O-N 2.92Å; F110-G112 PolarHBondContact O-N 3.27Å; F110-N117 WeakPolarHBondContact CE1-OD1 3.4Å; F110-I120 HydrophobicContact CE1-CB 4.49Å; F110-I120 HydrophobicContact CE1-CG2 4.31Å; F110-I120 HydrophobicContact CE2-CG2 4.47Å; F110-I120 HydrophobicContact CZ-CB 4.05Å; F110-I120 HydrophobicContact CZ-CG2 3.58Å; F110-K121 HydrophobicContact CD1-CG 3.85Å; F110-K121 HydrophobicContact CE1-CB 4.49Å; F110-K121 HydrophobicContact CE1-CD 4.48Å; F110-K121 HydrophobicContact CE1-CG 3.43Å; F110-K121 VanDerWaalsContact CE1-CG 3.43Å; F110-K121 HydrophobicContact CE2-CG 4.35Å; F110-K121 HydrophobicContact CG-CG 4.46Å; F110-K121 HydrophobicContact CZ-CB 4.33Å; F110-K121 HydrophobicContact CZ-CG 3.69Å; F110-H124 HydrophobicContact CE2-CB 4.04Å; F110-H124 AromaticContact CE2-CD2 3.93Å | ||
| 111 | P | 82.6 | Confident | 86.6 | Confident | 89 Ų | 89 | 81.4 Ų | 81.4 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | trans | -63.9 | 123 | -177.5 | 25.1 | -34.1 | 0 | 0 | 0 | 111.7 | ||||
| 112 | G | 74.1 | Confident | 86.8 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | trans | -82.7 | -24.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116 | F110 N117 | F110-G112 PolarHBondContact O-N 3.27Å; G112-N117 PolarHBondContact O-ND2 3.01Å | ||
| 113 | Q | 68.7 | Low | 86.8 | Confident | 196 Ų | 196 | 69 Ų | 69 | 92% | 0.916 | 37% | 0.367 | S | S | * | . | trans | -94.1 | -2.9 | -160.1 | -64.3 | 178.2 | -3.6 | 0 | 0 | 114.9 | R115 | Q113-R115 PolarHBondContact O-N 2.95Š| ||
| 114 | H | 67.6 | Low | 86.9 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | trans | -72.4 | 135.1 | -176.3 | -166.1 | -99.5 | 0 | 0 | 0 | 111.7 | A116 N117 I120 | H114-A116 WeakPolarHBondContact ND1-CB 3.27Å; H114-A116 PolarHBondContact ND1-N 3.33Å; H114-A116 PolarHBondContact O-N 3.44Å; H114-A116 VanDerWaalsContact O-N 3.17Å; H114-N117 WeakPolarHBondContact O-CA 3.28Å; H114-N117 WeakPolarHBondContact O-CB 3.33Å; H114-N117 PolarHBondContact O-N 3.5Å; H114-I120 HydrophobicContact CB-CD1 4.16Å; H114-I120 VanDerWaalsContact ND1-CD1 3.27Å; H114-I120 WeakPolarHBondContact ND1-CD1 3.33Å | ||
| 115 | R | 67.6 | Low | 86.9 | Confident | 178 Ų | 178 | 71 Ų | 71 | 67% | 0.672 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -27.5 | 179.9 | -179.9 | 179.1 | -100.6 | 178 | 0.3 | 114.1 | Q113 N117 K159 | Q113-R115 PolarHBondContact O-N 2.95Å; R115-N117 VanDerWaalsContact C-N 3.35Å; R115-K159 HydrophobicContact CG-CD 4.24Å; R115-K159 VanDerWaalsContact CG-NZ 3.33Å |
| 116 | A | 76.6 | Confident | 87 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 33.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | H114 E118 L119 I120 | H114-A116 WeakPolarHBondContact ND1-CB 3.27Å; H114-A116 PolarHBondContact ND1-N 3.33Å; H114-A116 PolarHBondContact O-N 3.44Å; H114-A116 VanDerWaalsContact O-N 3.17Å; A116-E118 VanDerWaalsContact C-N 3.27Å; A116-E118 PolarHBondContact O-N 2.93Å; A116-L119 HydrophobicContact CB-CB 4.25Å; A116-L119 HydrophobicContact CB-CD2 4.48Å; A116-L119 WeakPolarHBondContact O-CB 3.34Å; A116-L119 PolarHBondContact O-N 2.98Å; A116-L119 VanDerWaalsContact O-N 3.12Å; A116-I120 WeakPolarHBondContact O-CG1 3.43Å; A116-I120 PolarHBondContact O-N 2.84Å; A116-I120 VanDerWaalsContact O-N 3.1Å |
| 117 | N | 85.9 | Confident | 87.1 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 14% | 0.139 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.5 | -45.5 | -173.2 | -159.2 | -8.1 | 0 | 0 | 0 | 112 | F110 G112 H114 R115 L119 I120 K121 | F110-N117 WeakPolarHBondContact CE1-OD1 3.4Å; G112-N117 PolarHBondContact O-ND2 3.01Å; H114-N117 WeakPolarHBondContact O-CA 3.28Å; H114-N117 WeakPolarHBondContact O-CB 3.33Å; H114-N117 PolarHBondContact O-N 3.5Å; R115-N117 VanDerWaalsContact C-N 3.35Å; N117-L119 PolarHBondContact O-N 3.18Å; N117-I120 PolarHBondContact O-N 3.44Å; N117-K121 WeakPolarHBondContact O-CB 3.22Å; N117-K121 VanDerWaalsContact O-CG 3.29Å; N117-K121 WeakPolarHBondContact O-CG 3.47Å; N117-K121 PolarHBondContact O-N 3.05Å; N117-K121 WeakPolarHBondContact OD1-CE 3.33Å |
| 118 | E | 91.9 | Very high | 87.2 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 179.5 | -168 | -169.2 | 158.9 | 0 | 0 | 111.8 | A116 I120 K121 L122 R147 L151 | A116-E118 VanDerWaalsContact C-N 3.27Å; A116-E118 PolarHBondContact O-N 2.93Å; E118-I120 PolarHBondContact O-N 2.85Å; E118-K121 PolarHBondContact O-N 2.99Å; E118-L122 HydrophobicContact CG-CD1 4.06Å; E118-L122 HydrophobicContact CG-CG 4.4Å; E118-L122 WeakPolarHBondContact O-CB 3.4Å; E118-L122 VanDerWaalsContact O-CG 3.29Å; E118-L122 WeakPolarHBondContact O-CG 3.32Å; E118-L122 PolarHBondContact O-N 3.36Å; E118-R147 IonicContact OE1-CZ 3.17Å; E118-R147 VanDerWaalsContact OE1-CZ 3.22Å; E118-R147 IonicContact OE1-NE 2.8Å; E118-R147 PolarHBondContact OE1-NE 3.3Å; E118-R147 IonicContact OE1-NH2 2.64Å; E118-R147 PolarHBondContact OE1-NH2 3.46Å; E118-R147 IonicContact OE2-CZ 3.22Å; E118-R147 IonicContact OE2-NE 2.7Å; E118-R147 IonicContact OE2-NH2 2.93Å; E118-R147 PolarHBondContact OE2-NH2 3.17Å; E118-L151 HydrophobicContact CB-CD1 4.12Å; E118-L151 HydrophobicContact CG-CD1 3.85Å |
| 119 | L | 92.2 | Very high | 87.4 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 179.3 | 173.9 | 61.6 | 0 | 0 | 0 | 111.1 | A116 N117 L122 I123 I148 L151 L152 | A116-L119 HydrophobicContact CB-CB 4.25Å; A116-L119 HydrophobicContact CB-CD2 4.48Å; A116-L119 WeakPolarHBondContact O-CB 3.34Å; A116-L119 PolarHBondContact O-N 2.98Å; A116-L119 VanDerWaalsContact O-N 3.12Å; N117-L119 PolarHBondContact O-N 3.18Å; L119-L122 PolarHBondContact O-N 3.07Å; L119-I123 HydrophobicContact CD1-CD1 3.72Å; L119-I123 HydrophobicContact CD1-CG1 4.13Å; L119-I123 HydrophobicContact CG-CD1 3.89Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.91Å; L119-I148 HydrophobicContact CD1-CG2 4.08Å; L119-L151 HydrophobicContact CB-CB 4.09Å; L119-L151 HydrophobicContact CB-CD1 4.17Å; L119-L151 HydrophobicContact CD1-CB 3.9Å; L119-L151 HydrophobicContact CG-CB 4.45Å; L119-L152 HydrophobicContact CD1-CD2 4.14Å; L119-L152 HydrophobicContact CD1-CG 3.87Å; L119-L152 HydrophobicContact CD2-CD2 3.83Å; L119-L152 HydrophobicContact CD2-CG 4.29Å |
| 120 | I | 91.6 | Very high | 87.7 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 35% | 0.349 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | -178 | -55.2 | 172 | 0 | 0 | 0 | 109.8 | F110 H114 A116 N117 E118 L122 I123 H124 | F110-I120 HydrophobicContact CE1-CB 4.49Å; F110-I120 HydrophobicContact CE1-CG2 4.31Å; F110-I120 HydrophobicContact CE2-CG2 4.47Å; F110-I120 HydrophobicContact CZ-CB 4.05Å; F110-I120 HydrophobicContact CZ-CG2 3.58Å; H114-I120 HydrophobicContact CB-CD1 4.16Å; H114-I120 VanDerWaalsContact ND1-CD1 3.27Å; H114-I120 WeakPolarHBondContact ND1-CD1 3.33Å; A116-I120 WeakPolarHBondContact O-CG1 3.43Å; A116-I120 PolarHBondContact O-N 2.84Å; A116-I120 VanDerWaalsContact O-N 3.1Å; N117-I120 PolarHBondContact O-N 3.44Å; E118-I120 PolarHBondContact O-N 2.85Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 3.5Å; I120-I123 PolarHBondContact O-N 3.17Å; I120-H124 WeakPolarHBondContact O-CB 3.29Å; I120-H124 PolarHBondContact O-N 3.1Å |
| 121 | K | 92.8 | Very high | 88 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 175 | -75.5 | 177.4 | -177.3 | 176.4 | 0 | 111.7 | W106 L107 F110 N117 E118 H124 Y125 | W106-K121 HydrophobicContact CZ3-CB 4.23Å; L107-K121 HydrophobicContact CD1-CD 3.87Å; L107-K121 HydrophobicContact CD1-CG 4.02Å; F110-K121 HydrophobicContact CD1-CG 3.85Å; F110-K121 HydrophobicContact CE1-CB 4.49Å; F110-K121 HydrophobicContact CE1-CD 4.48Å; F110-K121 HydrophobicContact CE1-CG 3.43Å; F110-K121 VanDerWaalsContact CE1-CG 3.43Å; F110-K121 HydrophobicContact CE2-CG 4.35Å; F110-K121 HydrophobicContact CG-CG 4.46Å; F110-K121 HydrophobicContact CZ-CB 4.33Å; F110-K121 HydrophobicContact CZ-CG 3.69Å; N117-K121 WeakPolarHBondContact O-CB 3.22Å; N117-K121 VanDerWaalsContact O-CG 3.29Å; N117-K121 WeakPolarHBondContact O-CG 3.47Å; N117-K121 PolarHBondContact O-N 3.05Å; N117-K121 WeakPolarHBondContact OD1-CE 3.33Å; E118-K121 PolarHBondContact O-N 2.99Å; K121-H124 PolarHBondContact O-N 3.11Å; K121-Y125 VanDerWaalsContact O-CB 3.28Å; K121-Y125 WeakPolarHBondContact O-CB 3.37Å; K121-Y125 PolarHBondContact O-N 3.35Å |
| 122 | L | 95.2 | Very high | 88.7 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 18% | 0.183 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.5 | -38.6 | -179.3 | -70.7 | 176.7 | 0 | 0 | 0 | 112.3 | E118 L119 I120 R126 R147 I148 L151 | E118-L122 HydrophobicContact CG-CD1 4.06Å; E118-L122 HydrophobicContact CG-CG 4.4Å; E118-L122 WeakPolarHBondContact O-CB 3.4Å; E118-L122 VanDerWaalsContact O-CG 3.29Å; E118-L122 WeakPolarHBondContact O-CG 3.32Å; E118-L122 PolarHBondContact O-N 3.36Å; L119-L122 PolarHBondContact O-N 3.07Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 3.5Å; L122-R126 WeakPolarHBondContact O-CB 3.29Å; L122-R126 PolarHBondContact O-N 2.96Å; L122-R147 HydrophobicContact CD1-CB 4.19Å; L122-R147 HydrophobicContact CD1-CG 3.45Å; L122-R147 VanDerWaalsContact CD1-CG 3.45Å; L122-I148 HydrophobicContact CB-CD1 4.13Å; L122-I148 HydrophobicContact CB-CG1 3.76Å; L122-I148 HydrophobicContact CD1-CG1 4.47Å; L122-L151 HydrophobicContact CD1-CD1 3.77Å |
| 123 | I | 94.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 75.8 Ų | 75.8 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 173.4 | -69.9 | 169 | 0 | 0 | 0 | 110.2 | L119 I120 R126 N127 I148 | L119-I123 HydrophobicContact CD1-CD1 3.72Å; L119-I123 HydrophobicContact CD1-CG1 4.13Å; L119-I123 HydrophobicContact CG-CD1 3.89Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.91Å; I120-I123 PolarHBondContact O-N 3.17Å; I123-R126 WeakPolarHBondContact O-CB 3.08Å; I123-R126 PolarHBondContact O-N 3.44Å; I123-N127 PolarHBondContact O-N 3.47Å; I123-N127 PolarHBondContact O-OD1 3.28Å; I123-I148 HydrophobicContact CG1-CD1 4.36Å; I123-I148 HydrophobicContact CG1-CG2 4.17Å |
| 124 | H | 94.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 70.6 Ų | 70.6 | 31% | 0.306 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 177.6 | -179 | 54.3 | 0 | 0 | 0 | 111.5 | W106 F110 I120 K121 R126 N127 L128 | W106-H124 AromaticContact CE3-CD2 3.87Å; W106-H124 PolarHBondContact O-CD2 3.27Å; W106-H124 VanDerWaalsContact O-CD2 3.27Å; W106-H124 PolarHBondContact O-NE2 3.35Å; W106-H124 VanDerWaalsContact O-NE2 3.16Å; F110-H124 HydrophobicContact CE2-CB 4.04Å; F110-H124 AromaticContact CE2-CD2 3.93Å; I120-H124 WeakPolarHBondContact O-CB 3.29Å; I120-H124 PolarHBondContact O-N 3.1Å; K121-H124 PolarHBondContact O-N 3.11Å; H124-R126 VanDerWaalsContact C-N 3.33Å; H124-R126 PolarHBondContact O-N 3.12Å; H124-N127 PolarHBondContact O-N 3.43Å; H124-L128 WeakPolarHBondContact NE2-CD1 3.41Å; H124-L128 WeakPolarHBondContact O-CG 3.45Å; H124-L128 PolarHBondContact O-N 2.75Å |
| 125 | Y | 95.7 | Very high | 92.5 | Very high | 67 Ų | 67 | 74 Ų | 74 | 26% | 0.263 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 176.1 | -177.7 | -98.7 | 0 | 0 | 0 | 112.4 | W106 K121 N127 L128 Y129 M133 L144 | W106-Y125 AromaticContact CD2-CD2 3.82Å; W106-Y125 HydrophobicContact CD2-CD2 3.82Å; W106-Y125 AromaticContact CE2-CD2 3.51Å; W106-Y125 HydrophobicContact CE3-CD2 4.18Å; W106-Y125 HydrophobicContact CG-CD2 4.39Å; W106-Y125 HydrophobicContact CH2-CD2 4.01Å; W106-Y125 HydrophobicContact CH2-CG 4.27Å; W106-Y125 AromaticContact CZ2-CD2 3.62Å; W106-Y125 HydrophobicContact CZ2-CD2 3.62Å; W106-Y125 HydrophobicContact CZ2-CE2 4.26Å; W106-Y125 HydrophobicContact CZ2-CG 4.3Å; W106-Y125 HydrophobicContact CZ3-CD2 4.28Å; W106-Y125 HydrophobicContact CZ3-CG 4.44Å; W106-Y125 AromaticContact NE1-CD2 3.88Å; K121-Y125 VanDerWaalsContact O-CB 3.28Å; K121-Y125 WeakPolarHBondContact O-CB 3.37Å; K121-Y125 PolarHBondContact O-N 3.35Å; Y125-N127 PolarHBondContact O-N 2.88Å; Y125-L128 PolarHBondContact O-N 2.93Å; Y125-Y129 AromaticContact CD2-CD2 3.47Å; Y125-Y129 HydrophobicContact CD2-CD2 3.47Å; Y125-Y129 VanDerWaalsContact CD2-CD2 3.47Å; Y125-Y129 AromaticContact CD2-CE2 3.69Å; Y125-Y129 HydrophobicContact CD2-CE2 3.69Å; Y125-Y129 AromaticContact CE2-CD2 3.37Å; Y125-Y129 HydrophobicContact CE2-CD2 3.37Å; Y125-Y129 AromaticContact CE2-CE2 3.63Å; Y125-Y129 HydrophobicContact CE2-CE2 3.63Å; Y125-Y129 HydrophobicContact CE2-CG 4.29Å; Y125-Y129 HydrophobicContact CG-CD2 4.14Å; Y125-Y129 AromaticContact CZ-CD2 3.96Å; Y125-Y129 WeakPolarHBondContact O-CD2 3.46Å; Y125-Y129 PolarHBondContact O-N 3.11Å; Y125-M133 HydrophobicContact CD1-SD 4.31Å; Y125-M133 HydrophobicContact CE1-CE 4.27Å; Y125-M133 HydrophobicContact CE1-SD 3.49Å; Y125-M133 WeakPolarHBondContact CE1-SD 3.21Å; Y125-L144 HydrophobicContact CD1-CD1 3.53Å; Y125-L144 HydrophobicContact CE1-CD1 3.84Å |
| 126 | R | 95.8 | Very high | 94 | Very high | 75 Ų | 75 | 70.7 Ų | 70.7 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.6 | -50.9 | 174.7 | -172.7 | -167.9 | 65 | -168.9 | -0 | 110.9 | L122 I123 H124 L128 Y129 Q130 W141 L144 I148 | L122-R126 WeakPolarHBondContact O-CB 3.29Å; L122-R126 PolarHBondContact O-N 2.96Å; I123-R126 WeakPolarHBondContact O-CB 3.08Å; I123-R126 PolarHBondContact O-N 3.44Å; H124-R126 VanDerWaalsContact C-N 3.33Å; H124-R126 PolarHBondContact O-N 3.12Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 2.7Å; R126-Y129 PolarHBondContact O-N 3.44Å; R126-Q130 WeakPolarHBondContact O-CA 3.5Å; R126-Q130 VanDerWaalsContact O-CB 3.27Å; R126-Q130 WeakPolarHBondContact O-CB 3.27Å; R126-Q130 PolarHBondContact O-N 3.25Å; R126-W141 HydrophobicContact CG-CH2 3.44Å; R126-W141 VanDerWaalsContact CG-CH2 3.44Å; R126-W141 HydrophobicContact CG-CZ3 3.46Å; R126-W141 VanDerWaalsContact CG-CZ3 3.46Å; R126-L144 HydrophobicContact CB-CD2 3.87Å; R126-L144 HydrophobicContact CG-CD2 3.73Å; R126-I148 HydrophobicContact CB-CD1 4.05Å; R126-I148 HydrophobicContact CG-CD1 4.35Å |
| 127 | N | 95.2 | Very high | 94.9 | Very high | 94 Ų | 94 | 72.5 Ų | 72.5 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | -174.8 | -65.9 | -5.8 | 0 | 0 | 0 | 111.2 | I123 H124 Y125 | I123-N127 PolarHBondContact O-N 3.47Å; I123-N127 PolarHBondContact O-OD1 3.28Å; H124-N127 PolarHBondContact O-N 3.43Å; Y125-N127 PolarHBondContact O-N 2.88Å |
| 128 | L | 96.2 | Very high | 95.5 | Very high | 92 Ų | 92 | 75.2 Ų | 75.2 | 48% | 0.482 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.6 | -41.6 | 177.9 | -72.1 | 176.2 | 0 | 0 | 0 | 113.7 | W106 H124 Y125 R126 | W106-L128 HydrophobicContact CB-CD1 3.45Å; W106-L128 VanDerWaalsContact CB-CD1 3.45Å; W106-L128 HydrophobicContact CG-CD1 4.48Å; H124-L128 WeakPolarHBondContact NE2-CD1 3.41Å; H124-L128 WeakPolarHBondContact O-CG 3.45Å; H124-L128 PolarHBondContact O-N 2.75Å; Y125-L128 PolarHBondContact O-N 2.93Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 2.7Å |
| 129 | Y | 96.4 | Very high | 95.8 | Very high | 72 Ų | 72 | 78.8 Ų | 78.8 | 28% | 0.282 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -112.1 | 13.8 | -169.5 | -60.6 | -71.9 | 0 | 0 | 0 | 114.3 | W106 Y125 R126 E131 K132 M133 | W106-Y129 HydrophobicContact CB-CE2 4.26Å; W106-Y129 AromaticContact CD1-CE2 3.96Å; W106-Y129 HydrophobicContact CG-CE2 4.07Å; Y125-Y129 AromaticContact CD2-CD2 3.47Å; Y125-Y129 HydrophobicContact CD2-CD2 3.47Å; Y125-Y129 VanDerWaalsContact CD2-CD2 3.47Å; Y125-Y129 AromaticContact CD2-CE2 3.69Å; Y125-Y129 HydrophobicContact CD2-CE2 3.69Å; Y125-Y129 AromaticContact CE2-CD2 3.37Å; Y125-Y129 HydrophobicContact CE2-CD2 3.37Å; Y125-Y129 AromaticContact CE2-CE2 3.63Å; Y125-Y129 HydrophobicContact CE2-CE2 3.63Å; Y125-Y129 HydrophobicContact CE2-CG 4.29Å; Y125-Y129 HydrophobicContact CG-CD2 4.14Å; Y125-Y129 AromaticContact CZ-CD2 3.96Å; Y125-Y129 WeakPolarHBondContact O-CD2 3.46Å; Y125-Y129 PolarHBondContact O-N 3.11Å; R126-Y129 PolarHBondContact O-N 3.44Å; Y129-E131 PolarHBondContact O-N 2.93Å; Y129-K132 PolarHBondContact O-N 2.97Å; Y129-M133 WeakPolarHBondContact O-CB 3.42Å; Y129-M133 WeakPolarHBondContact O-CG 3.44Å; Y129-M133 PolarHBondContact O-N 3.01Å |
| 130 | Q | 96.3 | Very high | 96 | Very high | 60 Ų | 60 | 86.1 Ų | 86.1 | 28% | 0.28 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -48.7 | -58.3 | -175.7 | 174.7 | 175.3 | -53.2 | 0 | 0 | 112.7 | R126 K132 M133 K134 W141 | R126-Q130 WeakPolarHBondContact O-CA 3.5Å; R126-Q130 VanDerWaalsContact O-CB 3.27Å; R126-Q130 WeakPolarHBondContact O-CB 3.27Å; R126-Q130 PolarHBondContact O-N 3.25Å; Q130-K132 PolarHBondContact O-N 3.28Å; Q130-M133 PolarHBondContact O-N 3.43Å; Q130-K134 HydrophobicContact CG-CD 4.02Å; Q130-K134 WeakPolarHBondContact O-CG 3.4Å; Q130-K134 PolarHBondContact O-N 3.49Å; Q130-W141 HydrophobicContact CB-CH2 4.05Å; Q130-W141 HydrophobicContact CB-CZ3 4.04Å; Q130-W141 HydrophobicContact CG-CH2 3.58Å; Q130-W141 HydrophobicContact CG-CZ2 4.23Å; Q130-W141 HydrophobicContact CG-CZ3 3.98Å |
| 131 | E | 97 | Very high | 96.3 | Very high | 87 Ų | 87 | 85 Ų | 85 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | -173.3 | -64.1 | -52.2 | 120.4 | 0 | 0 | 111.8 | Y129 K134 R135 | Y129-E131 PolarHBondContact O-N 2.93Å; E131-K134 IonicContact OE1-NZ 3.36Å; E131-R135 WeakPolarHBondContact O-CG 3.46Å; E131-R135 PolarHBondContact O-N 3.09Å; E131-R135 IonicContact OE2-NH2 3.42Å; E131-R135 PolarHBondContact OE2-NH2 2.87Å |
| 132 | K | 97.2 | Very high | 96.6 | Very high | 131 Ų | 131 | 86.6 Ų | 86.6 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 177.9 | -172.9 | 175.9 | -179 | 176.5 | 0 | 111.8 | Y129 Q130 N136 | Y129-K132 PolarHBondContact O-N 2.97Å; Q130-K132 PolarHBondContact O-N 3.28Å; K132-N136 VanDerWaalsContact O-CB 3.32Å; K132-N136 WeakPolarHBondContact O-CB 3.18Å; K132-N136 PolarHBondContact O-N 3.18Å |
| 133 | M | 96.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 89.4 Ų | 89.4 | 7% | 0.074 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.2 | -39.4 | -178.9 | -75.2 | -170.6 | 74.8 | 0 | 0 | 112.7 | Y125 Y129 Q130 R135 T137 R140 W141 L144 | Y125-M133 HydrophobicContact CD1-SD 4.31Å; Y125-M133 HydrophobicContact CE1-CE 4.27Å; Y125-M133 HydrophobicContact CE1-SD 3.49Å; Y125-M133 WeakPolarHBondContact CE1-SD 3.21Å; Y129-M133 WeakPolarHBondContact O-CB 3.42Å; Y129-M133 WeakPolarHBondContact O-CG 3.44Å; Y129-M133 PolarHBondContact O-N 3.01Å; Q130-M133 PolarHBondContact O-N 3.43Å; M133-R135 VanDerWaalsContact C-N 3.33Å; M133-R135 PolarHBondContact O-N 2.83Å; M133-T137 CarbonylContact O-C 3.06Å; M133-T137 WeakPolarHBondContact O-CA 3.47Å; M133-T137 PolarHBondContact O-N 2.78Å; M133-T137 PolarHBondContact O-OG1 3.34Å; M133-R140 HydrophobicContact CE-CB 3.94Å; M133-W141 HydrophobicContact CB-CB 4.3Å; M133-W141 HydrophobicContact CB-CE3 4Å; M133-W141 HydrophobicContact SD-CE3 4.46Å; M133-L144 HydrophobicContact CE-CD1 4.13Å; M133-L144 HydrophobicContact SD-CD1 4.04Å |
| 134 | K | 96.8 | Very high | 96.9 | Very high | 87 Ų | 87 | 87.8 Ų | 87.8 | 38% | 0.378 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.5 | -76.1 | 175.1 | 176.9 | 177.1 | 0 | 111.6 | Q130 E131 W141 | Q130-K134 HydrophobicContact CG-CD 4.02Å; Q130-K134 WeakPolarHBondContact O-CG 3.4Å; Q130-K134 PolarHBondContact O-N 3.49Å; E131-K134 IonicContact OE1-NZ 3.36Å; K134-W141 HydrophobicContact CD-CZ2 4.5Å; K134-W141 VanDerWaalsContact CE-CZ2 3.44Å; K134-W141 HydrophobicContact CG-CD2 3.9Å; K134-W141 HydrophobicContact CG-CE3 4.45Å; K134-W141 HydrophobicContact CG-CG 4.07Å; K134-W141 HydrophobicContact CG-CZ2 4.39Å |
| 135 | R | 97.7 | Very high | 97 | Very high | 179 Ų | 179 | 86.8 Ų | 86.8 | 68% | 0.675 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -72.2 | -48.7 | 179.6 | -65.8 | 176.3 | -161 | 141.7 | 9 | 112.4 | E131 M133 | E131-R135 WeakPolarHBondContact O-CG 3.46Å; E131-R135 PolarHBondContact O-N 3.09Å; E131-R135 IonicContact OE2-NH2 3.42Å; E131-R135 PolarHBondContact OE2-NH2 2.87Å; M133-R135 VanDerWaalsContact C-N 3.33Å; M133-R135 PolarHBondContact O-N 2.83Å |
| 136 | N | 97.9 | Very high | 97.1 | Very high | 108 Ų | 108 | 89.6 Ų | 89.6 | 58% | 0.578 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -90.9 | -33.9 | -167.4 | -61.1 | -3.5 | 0 | 0 | 0 | 113.4 | K132 | K132-N136 VanDerWaalsContact O-CB 3.32Å; K132-N136 WeakPolarHBondContact O-CB 3.18Å; K132-N136 PolarHBondContact O-N 3.18Å |
| 137 | T | 97.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 90.6 Ų | 90.6 | 30% | 0.301 | 42% | 0.416 | S | S | . | . | trans | -143.3 | 66.4 | -170.2 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | M133 K139 R140 W141 | M133-T137 CarbonylContact O-C 3.06Å; M133-T137 WeakPolarHBondContact O-CA 3.47Å; M133-T137 PolarHBondContact O-N 2.78Å; M133-T137 PolarHBondContact O-OG1 3.34Å; T137-K139 VanDerWaalsContact C-N 3.27Å; T137-K139 PolarHBondContact O-N 3.1Å; T137-R140 PolarHBondContact O-N 3.18Å; T137-R140 VanDerWaalsContact O-N 3.13Å; T137-W141 PolarHBondContact O-N 3.49Å | ||
| 138 | P | 97.6 | Very high | 97.2 | Very high | 83 Ų | 83 | 86.4 Ų | 86.4 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.8 | -33.6 | -174.2 | 23 | -34 | 0 | 0 | 0 | 113.2 | W141 H142 | P138-W141 WeakPolarHBondContact O-CB 3.35Å; P138-W141 PolarHBondContact O-N 3.5Å; P138-H142 PolarHBondContact O-N 3.2Å |
| 139 | K | 98.1 | Very high | 97.1 | Very high | 158 Ų | 158 | 89.6 Ų | 89.6 | 69% | 0.687 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.4 | -49 | 174.4 | -176.9 | 177.7 | 176.9 | -179.6 | 0 | 112.2 | T137 W141 H142 E143 | T137-K139 VanDerWaalsContact C-N 3.27Å; T137-K139 PolarHBondContact O-N 3.1Å; K139-W141 VanDerWaalsContact C-N 3.3Å; K139-W141 PolarHBondContact O-N 3.35Å; K139-H142 WeakPolarHBondContact O-CB 3.44Å; K139-H142 PolarHBondContact O-N 3.28Å; K139-H142 VanDerWaalsContact O-N 3.17Å; K139-E143 WeakPolarHBondContact CE-OE1 3.49Å; K139-E143 WeakPolarHBondContact O-CG 3.44Å; K139-E143 PolarHBondContact O-N 3.42Å |
| 140 | R | 97.4 | Very high | 96.9 | Very high | 168 Ų | 168 | 91.8 Ų | 91.8 | 63% | 0.634 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.2 | -36.6 | 177.7 | -71.2 | -171.7 | 174.8 | -179.9 | -0.5 | 111.8 | M133 T137 H142 E143 L144 | M133-R140 HydrophobicContact CE-CB 3.94Å; T137-R140 PolarHBondContact O-N 3.18Å; T137-R140 VanDerWaalsContact O-N 3.13Å; R140-H142 VanDerWaalsContact C-N 3.33Å; R140-E143 PolarHBondContact O-N 2.87Å; R140-L144 WeakPolarHBondContact O-CB 3.44Å; R140-L144 PolarHBondContact O-N 3.22Å |
| 141 | W | 97.9 | Very high | 96.7 | Very high | 45 Ų | 45 | 89.1 Ų | 89.1 | 17% | 0.17 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 173.1 | 171.1 | -102.7 | 0 | 0 | 0 | 111.9 | R126 Q130 M133 K134 T137 P138 K139 L144 C145 | R126-W141 HydrophobicContact CG-CH2 3.44Å; R126-W141 VanDerWaalsContact CG-CH2 3.44Å; R126-W141 HydrophobicContact CG-CZ3 3.46Å; R126-W141 VanDerWaalsContact CG-CZ3 3.46Å; Q130-W141 HydrophobicContact CB-CH2 4.05Å; Q130-W141 HydrophobicContact CB-CZ3 4.04Å; Q130-W141 HydrophobicContact CG-CH2 3.58Å; Q130-W141 HydrophobicContact CG-CZ2 4.23Å; Q130-W141 HydrophobicContact CG-CZ3 3.98Å; M133-W141 HydrophobicContact CB-CB 4.3Å; M133-W141 HydrophobicContact CB-CE3 4Å; M133-W141 HydrophobicContact SD-CE3 4.46Å; K134-W141 HydrophobicContact CD-CZ2 4.5Å; K134-W141 VanDerWaalsContact CE-CZ2 3.44Å; K134-W141 HydrophobicContact CG-CD2 3.9Å; K134-W141 HydrophobicContact CG-CE3 4.45Å; K134-W141 HydrophobicContact CG-CG 4.07Å; K134-W141 HydrophobicContact CG-CZ2 4.39Å; T137-W141 PolarHBondContact O-N 3.49Å; P138-W141 WeakPolarHBondContact O-CB 3.35Å; P138-W141 PolarHBondContact O-N 3.5Å; K139-W141 VanDerWaalsContact C-N 3.3Å; K139-W141 PolarHBondContact O-N 3.35Å; W141-L144 HydrophobicContact CZ3-CD2 4.46Å; W141-L144 PolarHBondContact O-N 2.91Å; W141-C145 PolarHBondContact O-N 2.81Å; W141-C145 PolarHBondContact O-SG 2.98Å |
| 142 | H | 97.7 | Very high | 96.3 | Very high | 98 Ų | 98 | 88.2 Ų | 88.2 | 45% | 0.454 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 177.4 | 179.8 | 75.7 | 0 | 0 | 0 | 112.5 | P138 K139 R140 C145 K146 | P138-H142 PolarHBondContact O-N 3.2Å; K139-H142 WeakPolarHBondContact O-CB 3.44Å; K139-H142 PolarHBondContact O-N 3.28Å; K139-H142 VanDerWaalsContact O-N 3.17Å; R140-H142 VanDerWaalsContact C-N 3.33Å; H142-C145 PolarHBondContact O-N 3.01Å; H142-K146 PolarHBondContact CD2-NZ 3.32Å; H142-K146 WeakPolarHBondContact NE2-CE 3.42Å; H142-K146 PolarHBondContact NE2-NZ 3.1Å; H142-K146 WeakPolarHBondContact O-CG 3.37Å; H142-K146 PolarHBondContact O-N 2.9Å |
| 143 | E | 98.1 | Very high | 95.7 | Very high | 95 Ų | 95 | 88.3 Ų | 88.3 | 44% | 0.444 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 174.9 | -71.8 | 168.1 | 179.7 | 0 | 0 | 112.2 | K139 R140 C145 K146 R147 | K139-E143 WeakPolarHBondContact CE-OE1 3.49Å; K139-E143 WeakPolarHBondContact O-CG 3.44Å; K139-E143 PolarHBondContact O-N 3.42Å; R140-E143 PolarHBondContact O-N 2.87Å; E143-C145 PolarHBondContact O-N 3.14Å; E143-K146 WeakPolarHBondContact O-CB 3.49Å; E143-K146 PolarHBondContact O-N 3.23Å; E143-R147 PolarHBondContact O-N 3.12Å |
| 144 | L | 97.6 | Very high | 95.1 | Very high | 15 Ų | 15 | 90.8 Ų | 90.8 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 174.5 | 174.7 | 154.3 | 0 | 0 | 0 | 111.3 | Y125 R126 M133 R140 W141 K146 R147 I148 | Y125-L144 HydrophobicContact CD1-CD1 3.53Å; Y125-L144 HydrophobicContact CE1-CD1 3.84Å; R126-L144 HydrophobicContact CB-CD2 3.87Å; R126-L144 HydrophobicContact CG-CD2 3.73Å; M133-L144 HydrophobicContact CE-CD1 4.13Å; M133-L144 HydrophobicContact SD-CD1 4.04Å; R140-L144 WeakPolarHBondContact O-CB 3.44Å; R140-L144 PolarHBondContact O-N 3.22Å; W141-L144 HydrophobicContact CZ3-CD2 4.46Å; W141-L144 PolarHBondContact O-N 2.91Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 3.46Å; L144-R147 PolarHBondContact O-N 3.34Å; L144-I148 HydrophobicContact CD2-CD1 3.51Å; L144-I148 HydrophobicContact CD2-CG1 4.4Å; L144-I148 HydrophobicContact CG-CD1 4.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.38Å; L144-I148 PolarHBondContact O-N 3.04Å |
| 145 | C | 97.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 88.5 Ų | 88.5 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 178.2 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | W141 H142 E143 R147 I148 K149 | W141-C145 PolarHBondContact O-N 2.81Å; W141-C145 PolarHBondContact O-SG 2.98Å; H142-C145 PolarHBondContact O-N 3.01Å; E143-C145 PolarHBondContact O-N 3.14Å; C145-R147 VanDerWaalsContact C-N 3.35Å; C145-R147 PolarHBondContact O-N 2.64Å; C145-I148 PolarHBondContact O-N 3.3Å; C145-K149 WeakPolarHBondContact O-CB 2.97Å; C145-K149 PolarHBondContact O-N 3.33Å |
| 146 | K | 97.2 | Very high | 93.3 | Very high | 125 Ų | 125 | 84.1 Ų | 84.1 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 173.1 | -81.6 | 173.4 | 161.1 | 163.4 | 0 | 111.6 | H142 E143 L144 K149 Y150 | H142-K146 PolarHBondContact CD2-NZ 3.32Å; H142-K146 WeakPolarHBondContact NE2-CE 3.42Å; H142-K146 PolarHBondContact NE2-NZ 3.1Å; H142-K146 WeakPolarHBondContact O-CG 3.37Å; H142-K146 PolarHBondContact O-N 2.9Å; E143-K146 WeakPolarHBondContact O-CB 3.49Å; E143-K146 PolarHBondContact O-N 3.23Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 3.46Å; K146-K149 PolarHBondContact O-N 2.9Å; K146-Y150 WeakPolarHBondContact O-CB 3.49Å; K146-Y150 PolarHBondContact O-N 3.28Å |
| 147 | R | 97.2 | Very high | 92 | Very high | 96 Ų | 96 | 86.1 Ų | 86.1 | 36% | 0.362 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 179.3 | -174.9 | 59.8 | 177 | 174.6 | 1 | 112 | E118 L122 E143 L144 C145 K149 Y150 L151 | E118-R147 IonicContact OE1-CZ 3.17Å; E118-R147 VanDerWaalsContact OE1-CZ 3.22Å; E118-R147 IonicContact OE1-NE 2.8Å; E118-R147 PolarHBondContact OE1-NE 3.3Å; E118-R147 IonicContact OE1-NH2 2.64Å; E118-R147 PolarHBondContact OE1-NH2 3.46Å; E118-R147 IonicContact OE2-CZ 3.22Å; E118-R147 IonicContact OE2-NE 2.7Å; E118-R147 IonicContact OE2-NH2 2.93Å; E118-R147 PolarHBondContact OE2-NH2 3.17Å; L122-R147 HydrophobicContact CD1-CB 4.19Å; L122-R147 HydrophobicContact CD1-CG 3.45Å; L122-R147 VanDerWaalsContact CD1-CG 3.45Å; E143-R147 PolarHBondContact O-N 3.12Å; L144-R147 PolarHBondContact O-N 3.34Å; C145-R147 VanDerWaalsContact C-N 3.35Å; C145-R147 PolarHBondContact O-N 2.64Å; R147-K149 PolarHBondContact O-N 3.08Å; R147-Y150 PolarHBondContact O-N 2.8Å; R147-L151 HydrophobicContact CG-CD1 4.12Å; R147-L151 HydrophobicContact CG-CG 4.46Å; R147-L151 WeakPolarHBondContact O-CG 3.23Å; R147-L151 PolarHBondContact O-N 2.95Å |
| 148 | I | 95.7 | Very high | 90.7 | Very high | 6 Ų | 6 | 89.2 Ų | 89.2 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 175.3 | -69.4 | 173.3 | 0 | 0 | 0 | 110.5 | L119 L122 I123 R126 L144 C145 Y150 L151 L152 | L119-I148 HydrophobicContact CD1-CG2 4.08Å; L122-I148 HydrophobicContact CB-CD1 4.13Å; L122-I148 HydrophobicContact CB-CG1 3.76Å; L122-I148 HydrophobicContact CD1-CG1 4.47Å; I123-I148 HydrophobicContact CG1-CD1 4.36Å; I123-I148 HydrophobicContact CG1-CG2 4.17Å; R126-I148 HydrophobicContact CB-CD1 4.05Å; R126-I148 HydrophobicContact CG-CD1 4.35Å; L144-I148 HydrophobicContact CD2-CD1 3.51Å; L144-I148 HydrophobicContact CD2-CG1 4.4Å; L144-I148 HydrophobicContact CG-CD1 4.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.38Å; L144-I148 PolarHBondContact O-N 3.04Å; C145-I148 PolarHBondContact O-N 3.3Å; I148-Y150 VanDerWaalsContact C-N 3.34Å; I148-Y150 PolarHBondContact O-N 2.86Å; I148-L151 PolarHBondContact O-N 3.41Å; I148-L152 HydrophobicContact CG2-CD1 3.81Å; I148-L152 HydrophobicContact CG2-CG 4.35Å; I148-L152 WeakPolarHBondContact O-CB 3.39Å; I148-L152 WeakPolarHBondContact O-CG 3.39Å; I148-L152 PolarHBondContact O-N 2.98Å |
| 149 | K | 93.7 | Very high | 88.9 | Confident | 160 Ų | 160 | 87 Ų | 87 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.6 | -43.9 | 177.4 | -176.2 | 175.7 | -178.6 | 175 | 0 | 112.1 | C145 K146 R147 K153 | C145-K149 WeakPolarHBondContact O-CB 2.97Å; C145-K149 PolarHBondContact O-N 3.33Å; K146-K149 PolarHBondContact O-N 2.9Å; R147-K149 PolarHBondContact O-N 3.08Å; K149-K153 PolarHBondContact O-N 3.45Å; K149-K153 VanDerWaalsContact O-N 3.1Å |
| 150 | Y | 94 | Very high | 87 | Confident | 117 Ų | 117 | 80.1 Ų | 80.1 | 46% | 0.459 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 175.7 | 168.6 | -94.4 | 0 | 0 | 0 | 111.7 | K146 R147 I148 L152 K153 Y154 | K146-Y150 WeakPolarHBondContact O-CB 3.49Å; K146-Y150 PolarHBondContact O-N 3.28Å; R147-Y150 PolarHBondContact O-N 2.8Å; I148-Y150 VanDerWaalsContact C-N 3.34Å; I148-Y150 PolarHBondContact O-N 2.86Å; Y150-L152 PolarHBondContact O-N 2.91Å; Y150-K153 PolarHBondContact O-N 3.24Å; Y150-Y154 WeakPolarHBondContact O-CB 3.45Å; Y150-Y154 PolarHBondContact O-N 3.05Å |
| 151 | L | 91.5 | Very high | 84.7 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.5 | -37.7 | -178 | -71.6 | 175.7 | 0 | 0 | 0 | 112.4 | E118 L119 L122 R147 I148 Y154 H155 | E118-L151 HydrophobicContact CB-CD1 4.12Å; E118-L151 HydrophobicContact CG-CD1 3.85Å; L119-L151 HydrophobicContact CB-CB 4.09Å; L119-L151 HydrophobicContact CB-CD1 4.17Å; L119-L151 HydrophobicContact CD1-CB 3.9Å; L119-L151 HydrophobicContact CG-CB 4.45Å; L122-L151 HydrophobicContact CD1-CD1 3.77Å; R147-L151 HydrophobicContact CG-CD1 4.12Å; R147-L151 HydrophobicContact CG-CG 4.46Å; R147-L151 WeakPolarHBondContact O-CG 3.23Å; R147-L151 PolarHBondContact O-N 2.95Å; I148-L151 PolarHBondContact O-N 3.41Å; L151-Y154 PolarHBondContact O-N 3.32Å; L151-H155 WeakPolarHBondContact O-CB 3.4Å; L151-H155 PolarHBondContact O-CD2 2.73Å; L151-H155 PolarHBondContact O-N 3.07Å |
| 152 | L | 88.2 | Confident | 82.5 | Confident | 69 Ų | 69 | 78.5 Ų | 78.5 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58 | -48.9 | 171.5 | -77.1 | 166.5 | 0 | 0 | 0 | 110.7 | L119 I148 Y150 Y154 N156 | L119-L152 HydrophobicContact CD1-CD2 4.14Å; L119-L152 HydrophobicContact CD1-CG 3.87Å; L119-L152 HydrophobicContact CD2-CD2 3.83Å; L119-L152 HydrophobicContact CD2-CG 4.29Å; I148-L152 HydrophobicContact CG2-CD1 3.81Å; I148-L152 HydrophobicContact CG2-CG 4.35Å; I148-L152 WeakPolarHBondContact O-CB 3.39Å; I148-L152 WeakPolarHBondContact O-CG 3.39Å; I148-L152 PolarHBondContact O-N 2.98Å; Y150-L152 PolarHBondContact O-N 2.91Å; L152-Y154 PolarHBondContact O-N 3.18Å; L152-N156 VanDerWaalsContact O-CB 3.23Å; L152-N156 WeakPolarHBondContact O-CB 3.38Å; L152-N156 PolarHBondContact O-N 2.74Å; L152-N156 PolarHBondContact O-ND2 3.36Å |
| 153 | K | 84.8 | Confident | 80.6 | Confident | 133 Ų | 133 | 76 Ų | 76 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 177.5 | -169.7 | 179.3 | -179.2 | 174.6 | 0 | 111.8 | K149 Y150 Y157 | K149-K153 PolarHBondContact O-N 3.45Å; K149-K153 VanDerWaalsContact O-N 3.1Å; Y150-K153 PolarHBondContact O-N 3.24Å; K153-Y157 HydrophobicContact CB-CD2 4.38Å; K153-Y157 HydrophobicContact CG-CD2 3.74Å; K153-Y157 HydrophobicContact CG-CE2 4.36Å; K153-Y157 WeakPolarHBondContact O-CB 3.49Å; K153-Y157 WeakPolarHBondContact O-CD2 3.18Å; K153-Y157 PolarHBondContact O-N 3.22Å |
| 154 | Y | 84.2 | Confident | 78.6 | Confident | 66 Ų | 66 | 74 Ų | 74 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -65.1 | -48.9 | -178.7 | 175.9 | -103.4 | 0 | 0 | 0 | 112 | Y150 L151 L152 K158 K159 | Y150-Y154 WeakPolarHBondContact O-CB 3.45Å; Y150-Y154 PolarHBondContact O-N 3.05Å; L151-Y154 PolarHBondContact O-N 3.32Å; L152-Y154 PolarHBondContact O-N 3.18Å; Y154-K158 HydrophobicContact CD2-CB 3.78Å; Y154-K158 HydrophobicContact CD2-CD 3.94Å; Y154-K158 HydrophobicContact CD2-CG 4.42Å; Y154-K158 HydrophobicContact CE2-CB 4.17Å; Y154-K158 PolarHBondContact O-N 3.17Å; Y154-K158 VanDerWaalsContact O-N 3.14Å; Y154-K159 PolarHBondContact O-N 2.61Å |
| 155 | H | 79 | Confident | 76.9 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 18% | 0.181 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -73 | -31.6 | -177.8 | -72.4 | -56.8 | 0 | 0 | 0 | 113.5 | L151 | L151-H155 WeakPolarHBondContact O-CB 3.4Å; L151-H155 PolarHBondContact O-CD2 2.73Å; L151-H155 PolarHBondContact O-N 3.07Å |
| 156 | N | 76.7 | Confident | 75.1 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 47% | 0.465 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -84.9 | -37.7 | -179 | -65.6 | -13.3 | 0 | 0 | 0 | 112.9 | L152 | L152-N156 VanDerWaalsContact O-CB 3.23Å; L152-N156 WeakPolarHBondContact O-CB 3.38Å; L152-N156 PolarHBondContact O-N 2.74Å; L152-N156 PolarHBondContact O-ND2 3.36Å |
| 157 | Y | 72.2 | Confident | 73.4 | Confident | 151 Ų | 151 | 77.8 Ų | 77.8 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | I | π-helix | trans | -105.2 | -62.3 | -176 | -58 | -74.3 | 0 | 0 | 0 | 111.8 | K153 K159 A160 D161 | K153-Y157 HydrophobicContact CB-CD2 4.38Å; K153-Y157 HydrophobicContact CG-CD2 3.74Å; K153-Y157 HydrophobicContact CG-CE2 4.36Å; K153-Y157 WeakPolarHBondContact O-CB 3.49Å; K153-Y157 WeakPolarHBondContact O-CD2 3.18Å; K153-Y157 PolarHBondContact O-N 3.22Å; Y157-K159 VanDerWaalsContact C-N 3.33Å; Y157-K159 PolarHBondContact O-N 2.81Å; Y157-A160 WeakPolarHBondContact O-CB 3.38Å; Y157-A160 PolarHBondContact O-N 3.37Å; Y157-D161 PolarHBondContact O-N 3.02Å |
| 158 | K | 68.1 | Low | 71.9 | Confident | 114 Ų | 114 | 80 Ų | 80 | 50% | 0.496 | 37% | 0.371 | S | S | . | . | I | π-helix | trans | -67.4 | -31.4 | -170.3 | -68.1 | -171.1 | 166.7 | -163.4 | 0 | 114.4 | Y154 D161 | Y154-K158 HydrophobicContact CD2-CB 3.78Å; Y154-K158 HydrophobicContact CD2-CD 3.94Å; Y154-K158 HydrophobicContact CD2-CG 4.42Å; Y154-K158 HydrophobicContact CE2-CB 4.17Å; Y154-K158 PolarHBondContact O-N 3.17Å; Y154-K158 VanDerWaalsContact O-N 3.14Å; K158-D161 WeakPolarHBondContact CA-OD2 3.24Å; K158-D161 WeakPolarHBondContact O-CB 3.48Å; K158-D161 PolarHBondContact O-N 3.32Å |
| 159 | K | 61.2 | Low | 70.8 | Confident | 37 Ų | 37 | 85.3 Ų | 85.3 | 16% | 0.161 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -28.6 | 179.7 | -171.9 | 152.4 | -160.3 | 154.5 | 0 | 112.7 | R115 Y154 Y157 D161 E162 | R115-K159 HydrophobicContact CG-CD 4.24Å; R115-K159 VanDerWaalsContact CG-NZ 3.33Å; Y154-K159 PolarHBondContact O-N 2.61Å; Y157-K159 VanDerWaalsContact C-N 3.33Å; Y157-K159 PolarHBondContact O-N 2.81Å; K159-D161 PolarHBondContact O-N 3.22Å; K159-E162 WeakPolarHBondContact CE-OE2 3.41Å; K159-E162 PolarHBondContact O-N 2.98Å |
| 160 | A | 56.7 | Low | 69.6 | Low | 13 Ų | 13 | 80.7 Ų | 80.7 | 11% | 0.107 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.4 | -29.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y157 E162 I163 N164 T184 | Y157-A160 WeakPolarHBondContact O-CB 3.38Å; Y157-A160 PolarHBondContact O-N 3.37Å; A160-E162 VanDerWaalsContact C-N 3.28Å; A160-E162 PolarHBondContact O-N 3.34Å; A160-I163 CarbonylContact O-C 3.57Å; A160-I163 WeakPolarHBondContact O-CA 3.45Å; A160-I163 WeakPolarHBondContact O-CB 3.33Å; A160-I163 PolarHBondContact O-N 3.41Å; A160-N164 PolarHBondContact O-N 2.99Å; A160-T184 HydrophobicContact CB-CG2 3.62Å |
| 161 | D | 50.6 | Low | 68.3 | Low | 86 Ų | 86 | 80.7 Ų | 80.7 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.5 | -26.4 | 176.7 | -55.2 | -30.5 | 0 | 0 | 0 | 113.7 | Y157 K158 K159 I163 N164 I165 | Y157-D161 PolarHBondContact O-N 3.02Å; K158-D161 WeakPolarHBondContact CA-OD2 3.24Å; K158-D161 WeakPolarHBondContact O-CB 3.48Å; K158-D161 PolarHBondContact O-N 3.32Å; K159-D161 PolarHBondContact O-N 3.22Å; D161-I163 VanDerWaalsContact C-N 3.3Å; D161-N164 WeakPolarHBondContact O-CB 3.44Å; D161-N164 PolarHBondContact O-N 3.48Å; D161-N164 PolarHBondContact OD1-ND2 3.09Å; D161-I165 PolarHBondContact O-N 3.35Å |
| 162 | E | 51.2 | Low | 66.9 | Low | 93 Ų | 93 | 87.4 Ų | 87.4 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.2 | -34.8 | 171.5 | -64.9 | 173.8 | -178 | 0 | 0 | 111 | K159 A160 N164 I165 | K159-E162 WeakPolarHBondContact CE-OE2 3.41Å; K159-E162 PolarHBondContact O-N 2.98Å; A160-E162 VanDerWaalsContact C-N 3.28Å; A160-E162 PolarHBondContact O-N 3.34Å; E162-N164 VanDerWaalsContact C-N 3.32Å; E162-I165 PolarHBondContact O-N 3.25Å |
| 163 | I | 57.9 | Low | 65.6 | Low | 45 Ų | 45 | 92.7 Ų | 92.7 | 23% | 0.231 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -71.5 | -31.7 | 172.7 | -57.1 | 171 | 0 | 0 | 0 | 109.9 | A160 D161 I165 E166 R167 | A160-I163 CarbonylContact O-C 3.57Å; A160-I163 WeakPolarHBondContact O-CA 3.45Å; A160-I163 WeakPolarHBondContact O-CB 3.33Å; A160-I163 PolarHBondContact O-N 3.41Å; D161-I163 VanDerWaalsContact C-N 3.3Å; I163-I165 VanDerWaalsContact C-N 3.3Å; I163-I165 PolarHBondContact O-N 3.33Å; I163-E166 CarbonylContact O-C 3.51Å; I163-E166 WeakPolarHBondContact O-CA 3.49Å; I163-E166 WeakPolarHBondContact O-CB 3.46Å; I163-E166 PolarHBondContact O-N 2.74Å; I163-R167 HydrophobicContact CG2-CG 4.18Å; I163-R167 WeakPolarHBondContact O-CG 3.34Å; I163-R167 PolarHBondContact O-N 2.78Å |
| 164 | N | 55.5 | Low | 64.4 | Low | 54 Ų | 54 | 95.8 Ų | 95.8 | 29% | 0.289 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 175.8 | -65.5 | -21.2 | 0 | 0 | 0 | 112 | A160 D161 E162 E166 R167 D168 | A160-N164 PolarHBondContact O-N 2.99Å; D161-N164 WeakPolarHBondContact O-CB 3.44Å; D161-N164 PolarHBondContact O-N 3.48Å; D161-N164 PolarHBondContact OD1-ND2 3.09Å; E162-N164 VanDerWaalsContact C-N 3.32Å; N164-E166 VanDerWaalsContact C-N 3.3Å; N164-E166 PolarHBondContact O-N 2.85Å; N164-R167 WeakPolarHBondContact O-CB 3.35Å; N164-R167 PolarHBondContact O-N 3.26Å; N164-R167 PolarHBondContact OD1-NH1 3.04Å; N164-D168 WeakPolarHBondContact O-CB 3.46Å; N164-D168 PolarHBondContact O-N 2.82Å |
| 165 | I | 62.2 | Low | 63.1 | Low | 109 Ų | 109 | 96 Ų | 96 | 56% | 0.559 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 171.6 | -61.6 | 170.3 | 0 | 0 | 0 | 110.8 | D161 E162 I163 D168 L169 | D161-I165 PolarHBondContact O-N 3.35Å; E162-I165 PolarHBondContact O-N 3.25Å; I163-I165 VanDerWaalsContact C-N 3.3Å; I163-I165 PolarHBondContact O-N 3.33Å; I165-D168 PolarHBondContact O-N 3.25Å; I165-L169 HydrophobicContact CG2-CD1 4.31Å; I165-L169 WeakPolarHBondContact O-CG 3.48Å; I165-L169 PolarHBondContact O-N 2.85Å; I165-L169 VanDerWaalsContact O-N 3.12Å |
| 166 | E | 60.2 | Low | 61.8 | Low | 82 Ų | 82 | 97 Ų | 97 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.8 | -31.5 | 176.5 | -61.5 | 179.3 | -174.8 | 0 | 0 | 112.7 | I163 N164 L171 W172 | I163-E166 CarbonylContact O-C 3.51Å; I163-E166 WeakPolarHBondContact O-CA 3.49Å; I163-E166 WeakPolarHBondContact O-CB 3.46Å; I163-E166 PolarHBondContact O-N 2.74Å; N164-E166 VanDerWaalsContact C-N 3.3Å; N164-E166 PolarHBondContact O-N 2.85Å; E166-L171 PolarHBondContact O-N 3.2Å; E166-W172 PolarHBondContact OE2-NE1 2.79Å |
| 167 | R | 60 | Low | 60.6 | Low | 73 Ų | 73 | 97 Ų | 97 | 28% | 0.275 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 172.5 | -71.9 | 170.6 | 175 | 150.2 | -3.4 | 111.5 | I163 N164 L169 G170 D182 | I163-R167 HydrophobicContact CG2-CG 4.18Å; I163-R167 WeakPolarHBondContact O-CG 3.34Å; I163-R167 PolarHBondContact O-N 2.78Å; N164-R167 WeakPolarHBondContact O-CB 3.35Å; N164-R167 PolarHBondContact O-N 3.26Å; N164-R167 PolarHBondContact OD1-NH1 3.04Å; R167-L169 PolarHBondContact O-N 3.22Å; R167-G170 WeakPolarHBondContact O-CA 3.42Å; R167-G170 PolarHBondContact O-N 3.42Å; R167-D182 IonicContact CZ-OD1 3.81Å; R167-D182 IonicContact CZ-OD2 3.77Å; R167-D182 IonicContact NH1-OD1 3.93Å; R167-D182 IonicContact NH2-OD1 2.81Å; R167-D182 PolarHBondContact NH2-OD1 3.06Å; R167-D182 IonicContact NH2-OD2 2.74Å; R167-D182 PolarHBondContact NH2-OD2 2.74Å |
| 168 | D | 67.5 | Low | 59.4 | Low | 142 Ų | 142 | 98.6 Ų | 98.6 | 76% | 0.759 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -31.9 | 176.3 | -70 | -15 | 0 | 0 | 0 | 111.6 | N164 I165 G170 | N164-D168 WeakPolarHBondContact O-CB 3.46Å; N164-D168 PolarHBondContact O-N 2.82Å; I165-D168 PolarHBondContact O-N 3.25Å; D168-G170 PolarHBondContact O-N 3.4Å |
| 169 | L | 71.2 | Confident | 58.5 | Low | 118 Ų | 118 | 102.4 Ų | 102.4 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -3.2 | 173.3 | -69.4 | 169.6 | 0 | 0 | 0 | 113.5 | I165 R167 L171 | I165-L169 HydrophobicContact CG2-CD1 4.31Å; I165-L169 WeakPolarHBondContact O-CG 3.48Å; I165-L169 PolarHBondContact O-N 2.85Å; I165-L169 VanDerWaalsContact O-N 3.12Å; R167-L169 PolarHBondContact O-N 3.22Å; L169-L171 HydrophobicContact CB-CD1 3.79Å; L169-L171 HydrophobicContact CB-CG 3.89Å; L169-L171 HydrophobicContact CD1-CD1 3.98Å; L169-L171 PolarHBondContact O-N 3.26Å |
| 170 | G | 70 | Confident | 58 | Low | 62 Ų | 62 | 110.9 Ų | 110.9 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 23.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R167 D168 W172 | R167-G170 WeakPolarHBondContact O-CA 3.42Å; R167-G170 PolarHBondContact O-N 3.42Å; D168-G170 PolarHBondContact O-N 3.4Å; G170-W172 VanDerWaalsContact C-N 3.3Å |
| 171 | L | 66.7 | Low | 57.6 | Low | 118 Ų | 118 | 116.8 Ų | 116.8 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | trans | -80.8 | -10.7 | -176 | -66.9 | 167.1 | 0 | 0 | 0 | 113.2 | E166 L169 | E166-L171 PolarHBondContact O-N 3.2Å; L169-L171 HydrophobicContact CB-CD1 3.79Å; L169-L171 HydrophobicContact CB-CG 3.89Å; L169-L171 HydrophobicContact CD1-CD1 3.98Å; L169-L171 PolarHBondContact O-N 3.26Å | ||
| 172 | W | 60.8 | Low | 57.3 | Low | 144 Ų | 144 | 115 Ų | 115 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -135.2 | 138.4 | -176.2 | -61.7 | 98.9 | 0 | 0 | 0 | 111 | E166 G170 | E166-W172 PolarHBondContact OE2-NE1 2.79Å; G170-W172 VanDerWaalsContact C-N 3.3Å |
| 173 | E | 60.6 | Low | 57.3 | Low | 180 Ų | 180 | 119 Ų | 119 | 84% | 0.841 | 58% | 0.579 | S | S | * | * | trans | -73.2 | 137.6 | 172.8 | -66.8 | -178.1 | 175.7 | 0 | 0 | 111.1 | S175 | E173-S175 PolarHBondContact O-N 3.18Š| ||
| 174 | E | 59.3 | Low | 56.8 | Low | 198 Ų | 198 | 120.1 Ų | 120.1 | 93% | 0.925 | 59% | 0.588 | S | S | * | * | trans | -72.8 | 36.4 | -176.9 | -62.9 | -176.1 | 159.3 | 0 | 0 | 114.6 | ||||
| 175 | S | 57.1 | Low | 56.5 | Low | 70 Ų | 70 | 127 Ų | 127 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | trans | -79 | 131.5 | 173.7 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | E173 D177 | E173-S175 PolarHBondContact O-N 3.18Å; S175-D177 PolarHBondContact O-N 3.12Å | ||
| 176 | P | 53.2 | Low | 55.8 | Low | 60 Ų | 60 | 130.7 Ų | 130.7 | 39% | 0.39 | 62% | 0.617 | S | S | . | * | trans | -67.9 | 97.6 | 175.5 | 26.1 | -31.7 | 0 | 0 | 0 | 109.7 | F178 | P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 HydrophobicContact CB-CE1 4.33Å; P176-F178 HydrophobicContact CB-CE2 4.11Å; P176-F178 HydrophobicContact CB-CZ 3.94Å; P176-F178 HydrophobicContact CG-CE2 3.94Å; P176-F178 HydrophobicContact CG-CZ 3.92Å; P176-F178 WeakPolarHBondContact O-CD2 3.45Å; P176-F178 WeakPolarHBondContact O-CE2 3.4Å; P176-F178 PolarHBondContact O-N 3.48Å | ||
| 177 | D | 49.7 | Very low | 55.2 | Low | 87 Ų | 87 | 129.2 Ų | 129.2 | 47% | 0.465 | 62% | 0.616 | S | S | . | * | trans | -74.5 | 87 | 170.8 | -95 | -6.2 | 0 | 0 | 0 | 109.6 | S175 F179 | S175-D177 PolarHBondContact O-N 3.12Å; D177-F179 PolarHBondContact O-N 3.39Å | ||
| 178 | F | 48.4 | Very low | 54.8 | Low | 186 Ų | 186 | 135.6 Ų | 135.6 | 82% | 0.816 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -19.9 | 175.9 | -61.4 | -75.1 | 0 | 0 | 0 | 113.2 | P176 | P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 HydrophobicContact CB-CE1 4.33Å; P176-F178 HydrophobicContact CB-CE2 4.11Å; P176-F178 HydrophobicContact CB-CZ 3.94Å; P176-F178 HydrophobicContact CG-CE2 3.94Å; P176-F178 HydrophobicContact CG-CZ 3.92Å; P176-F178 WeakPolarHBondContact O-CD2 3.45Å; P176-F178 WeakPolarHBondContact O-CE2 3.4Å; P176-F178 PolarHBondContact O-N 3.48Å |
| 179 | F | 49.6 | Very low | 53.8 | Low | 193 Ų | 193 | 134.7 Ų | 134.7 | 85% | 0.846 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -27.3 | -165.3 | -102.3 | -90.2 | 0 | 0 | 0 | 116.1 | D177 | D177-F179 PolarHBondContact O-N 3.39Š|
| 180 | Y | 49.6 | Very low | 52.5 | Low | 216 Ų | 216 | 132.6 Ų | 132.6 | 85% | 0.847 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.5 | -13.9 | -170.5 | -127.6 | -94.7 | 0 | 0 | 0 | 119.6 | ||
| 181 | K | 47.8 | Very low | 51.2 | Low | 137 Ų | 137 | 136.3 Ų | 136.3 | 60% | 0.596 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | -23.8 | -170.7 | -70.7 | 178.8 | -176.4 | 172.4 | 0 | 116.3 | ||
| 182 | D | 45.9 | Very low | 50.5 | Low | 49 Ų | 49 | 139.8 Ų | 139.8 | 26% | 0.262 | 66% | 0.66 | S | S | . | * | trans | -117.5 | 92.2 | -172.3 | -148.7 | 4.2 | 0 | 0 | 0 | 113 | R167 T184 | R167-D182 IonicContact CZ-OD1 3.81Å; R167-D182 IonicContact CZ-OD2 3.77Å; R167-D182 IonicContact NH1-OD1 3.93Å; R167-D182 IonicContact NH2-OD1 2.81Å; R167-D182 PolarHBondContact NH2-OD1 3.06Å; R167-D182 IonicContact NH2-OD2 2.74Å; R167-D182 PolarHBondContact NH2-OD2 2.74Å; D182-T184 WeakPolarHBondContact OD1-CB 3.42Å; D182-T184 VanDerWaalsContact OD1-CG2 3.24Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.46Å; D182-T184 PolarHBondContact OD1-OG1 3.27Å | ||
| 183 | K | 51.3 | Low | 50 | Low | 176 Ų | 176 | 139.6 Ų | 139.6 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | trans | -93.9 | 4.9 | 172.2 | -63.6 | -174.7 | -178.5 | -177.5 | 0 | 112.8 | R185 R186 | K183-R185 PolarHBondContact O-N 3.05Å; K183-R185 VanDerWaalsContact O-N 3.17Å; K183-R186 PolarHBondContact O-N 3.33Å | ||
| 184 | T | 46.6 | Very low | 49.4 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 42% | 0.423 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.2 | -19.7 | -171.3 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | A160 D182 | A160-T184 HydrophobicContact CB-CG2 3.62Å; D182-T184 WeakPolarHBondContact OD1-CB 3.42Å; D182-T184 VanDerWaalsContact OD1-CG2 3.24Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.46Å; D182-T184 PolarHBondContact OD1-OG1 3.27Å |
| 185 | R | 49 | Very low | 48.8 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 75% | 0.751 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -4.1 | 178.9 | -72.3 | -173.4 | 170.5 | 154.3 | 0.6 | 115.3 | K183 S187 D190 | K183-R185 PolarHBondContact O-N 3.05Å; K183-R185 VanDerWaalsContact O-N 3.17Å; R185-S187 PolarHBondContact O-N 2.91Å; R185-D190 VanDerWaalsContact O-OD2 3.05Å |
| 186 | R | 47.3 | Very low | 48.4 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 70% | 0.702 | 65% | 0.65 | S | S | * | * | trans | -93.6 | 92 | 177.1 | -156.3 | 172.3 | -172.2 | -178.2 | 2.5 | 110.3 | K183 D190 | K183-R186 PolarHBondContact O-N 3.33Å; R186-D190 HydrophobicContact CG-CB 4.12Å | ||
| 187 | S | 46.8 | Very low | 48.1 | Very low | 51 Ų | 51 | 142.7 Ų | 142.7 | 36% | 0.357 | 67% | 0.667 | S | S | . | * | trans | -73.6 | 163.9 | 165.5 | 73.2 | 0 | 0 | 0 | 0 | 109.9 | R185 L189 D190 | R185-S187 PolarHBondContact O-N 2.91Å; S187-L189 PolarHBondContact O-N 3.3Å; S187-L189 WeakPolarHBondContact OG-CB 3.21Å; S187-L189 PolarHBondContact OG-N 3.35Å; S187-D190 WeakPolarHBondContact CA-OD2 3.47Å; S187-D190 WeakPolarHBondContact CB-OD2 3.41Å; S187-D190 PolarHBondContact N-OD2 3.02Å; S187-D190 PolarHBondContact O-N 2.92Å; S187-D190 PolarHBondContact OG-OD2 3.22Å | ||
| 188 | Y | 51.7 | Low | 47.9 | Very low | 206 Ų | 206 | 146.4 Ų | 146.4 | 81% | 0.808 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 1.1 | 171.2 | 65.7 | -85.5 | 0 | 0 | 0 | 112.8 | ||
| 189 | L | 47.6 | Very low | 47.9 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -7 | 176 | -58.9 | 165.5 | 0 | 0 | 0 | 112.2 | S187 D191 | S187-L189 PolarHBondContact O-N 3.3Å; S187-L189 WeakPolarHBondContact OG-CB 3.21Å; S187-L189 PolarHBondContact OG-N 3.35Å; L189-D191 PolarHBondContact O-N 3.27Å |
| 190 | D | 43.2 | Very low | 47.8 | Very low | 74 Ų | 74 | 139.8 Ų | 139.8 | 40% | 0.396 | 66% | 0.657 | S | S | . | * | trans | -96.3 | 75.3 | -180 | -53.4 | -56.7 | 0 | 0 | 0 | 110.1 | R185 R186 S187 | R185-D190 VanDerWaalsContact O-OD2 3.05Å; R186-D190 HydrophobicContact CG-CB 4.12Å; S187-D190 WeakPolarHBondContact CA-OD2 3.47Å; S187-D190 WeakPolarHBondContact CB-OD2 3.41Å; S187-D190 PolarHBondContact N-OD2 3.02Å; S187-D190 PolarHBondContact O-N 2.92Å; S187-D190 PolarHBondContact OG-OD2 3.22Å | ||
| 191 | D | 43.1 | Very low | 47.6 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | trans | -71.1 | 152.5 | 156.9 | -76.4 | -32 | 0 | 0 | 0 | 109.1 | L189 | L189-D191 PolarHBondContact O-N 3.27Š| ||
| 192 | P | 51.2 | Low | 47.6 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 100% | 1.24 | 65% | 0.645 | S | S | * | * | trans | -58.1 | 0 | -171.3 | 24.8 | -35.3 | 0 | 0 | 0 | 115 |
Retrieved 192 of 192 residues in 47.4 ms
(Link to these results)