| 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 | 45.6 | Very low | 53.1 | Low | 242 Ų | 242 | 159.1 Ų | 159.1 | 100% | 1.192 | 82% | 0.819 | S | S | * | * | 0 | 46.5 | 0 | -82.1 | -171.3 | -108.9 | 0 | 0 | 111.6 | |||||
| 2 | L | 48.2 | Very low | 53.3 | Low | 175 Ų | 175 | 158.7 Ų | 158.7 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -137.8 | 29.1 | 178.2 | -102.7 | 140.3 | 0 | 0 | 0 | 111 | ||||
| 3 | L | 49.1 | Very low | 53 | Low | 165 Ų | 165 | 160.2 Ų | 160.2 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -107.7 | 85.4 | 167.5 | -79.7 | 95.7 | 0 | 0 | 0 | 107.5 | ||||
| 4 | H | 53.9 | Low | 52.8 | Low | 184 Ų | 184 | 161.1 Ų | 161.1 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -179.3 | 91.3 | 163.9 | -110.6 | -148.3 | 0 | 0 | 0 | 108.8 | ||||
| 5 | T | 57.7 | Low | 52.4 | Low | 142 Ų | 142 | 156.9 Ų | 156.9 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | 179.4 | 42.9 | 150.6 | 46.4 | 0 | 0 | 0 | 0 | 111.8 | R7 | T5-R7 PolarHBondContact O-N 3Š| ||
| 6 | F | 55.7 | Low | 52.4 | Low | 176 Ų | 176 | 152.8 Ų | 152.8 | 77% | 0.772 | 78% | 0.779 | S | S | * | * | trans | -85.9 | 80.6 | 155.7 | -93.2 | -84.7 | 0 | 0 | 0 | 107.4 | C8 | F6-C8 PolarHBondContact O-N 3.21Š| ||
| 7 | R | 56.3 | Low | 51.9 | Low | 210 Ų | 210 | 152.8 Ų | 152.8 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -80.1 | 96 | 172 | -172.1 | 167.4 | 177.6 | 121.1 | -4.2 | 106.6 | T5 F9 | T5-R7 PolarHBondContact O-N 3Å; R7-F9 PolarHBondContact O-N 3.25Å | ||
| 8 | C | 56.4 | Low | 51.9 | Low | 128 Ų | 128 | 151.6 Ų | 151.6 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -55.2 | 107.9 | 167.1 | -74.7 | 0 | 0 | 0 | 0 | 108.8 | F6 | F6-C8 PolarHBondContact O-N 3.21Š| ||
| 9 | F | 52.1 | Low | 51.4 | Low | 124 Ų | 124 | 149.9 Ų | 149.9 | 54% | 0.544 | 77% | 0.771 | S | S | . | * | trans | -107.4 | 121.7 | 172.5 | -142.1 | -97.2 | 0 | 0 | 0 | 107.9 | R7 E84 | R7-F9 PolarHBondContact O-N 3.25Å; F9-E84 WeakPolarHBondContact CD1-OE1 3.38Å; F9-E84 WeakPolarHBondContact CE1-OE1 3.46Å | ||
| 10 | G | 52.9 | Low | 50.8 | Low | 56 Ų | 56 | 151.6 Ų | 151.6 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | trans | 60.9 | 77.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | K12 | G10-K12 PolarHBondContact O-N 3.15Å; G10-K12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | I | 55.7 | Low | 50.2 | Low | 148 Ų | 148 | 149.5 Ų | 149.5 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -67.4 | 110.7 | 154 | -61.6 | 172.8 | 0 | 0 | 0 | 106.2 | Q13 | I11-Q13 PolarHBondContact O-N 3.15Å; I11-Q13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | K | 56.2 | Low | 50.1 | Low | 154 Ų | 154 | 141.2 Ų | 141.2 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | -58.9 | 117.7 | 167.1 | -170.1 | 170.5 | -179.2 | -178.6 | 0 | 106.4 | G10 Y14 | G10-K12 PolarHBondContact O-N 3.15Å; G10-K12 VanDerWaalsContact O-N 3.15Å; K12-Y14 PolarHBondContact O-N 2.96Å | ||
| 13 | Q | 49.4 | Very low | 50.2 | Low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -47.5 | 111.7 | -179.7 | -79 | -77.4 | -8.1 | 0 | 0 | 109.6 | I11 S15 | I11-Q13 PolarHBondContact O-N 3.15Å; I11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-S15 PolarHBondContact O-N 2.95Å | ||
| 14 | Y | 50 | Low | 50.8 | Low | 173 Ų | 173 | 139.2 Ų | 139.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | -71.5 | 111.3 | 173.9 | -175.1 | -101.8 | 0 | 0 | 0 | 107.4 | K12 P16 | K12-Y14 PolarHBondContact O-N 2.96Å; Y14-P16 HydrophobicContact CD1-CB 4.3Å; Y14-P16 HydrophobicContact CE1-CB 3.95Å; Y14-P16 WeakPolarHBondContact O-CD 3.34Å | ||
| 15 | S | 47.3 | Very low | 51.9 | Low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | trans | -87.1 | 111.2 | 167.6 | -172.6 | 0 | 0 | 0 | 0 | 107.4 | Q13 M17 | Q13-S15 PolarHBondContact O-N 2.95Å; S15-M17 PolarHBondContact O-N 2.87Å | ||
| 16 | P | 51.8 | Low | 53.2 | Low | 91 Ų | 91 | 129.1 Ų | 129.1 | 59% | 0.591 | 70% | 0.696 | S | S | * | * | trans | -75.1 | 93.4 | 175.8 | 30.2 | -31.5 | 0 | 0 | 0 | 108.7 | Y14 | Y14-P16 HydrophobicContact CD1-CB 4.3Å; Y14-P16 HydrophobicContact CE1-CB 3.95Å; Y14-P16 WeakPolarHBondContact O-CD 3.34Å | ||
| 17 | M | 44.8 | Very low | 54.7 | Low | 153 Ų | 153 | 125.9 Ų | 125.9 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | trans | -86 | 104.6 | 155.5 | -72.4 | -160.3 | 91.6 | 0 | 0 | 107.6 | S15 D19 | S15-M17 PolarHBondContact O-N 2.87Å; M17-D19 PolarHBondContact O-N 3.26Å | ||
| 18 | V | 50.4 | Low | 56.2 | Low | 132 Ų | 132 | 122 Ų | 122 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | trans | -81.3 | 86 | 172.3 | -168.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 19 | D | 42.7 | Very low | 57.9 | Low | 119 Ų | 119 | 121.8 Ų | 121.8 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -145.5 | 93.5 | 170.1 | -78.1 | -42 | 0 | 0 | 0 | 108.4 | M17 | M17-D19 PolarHBondContact O-N 3.26Š| ||
| 20 | Q | 40.4 | Very low | 59.7 | Low | 183 Ų | 183 | 116 Ų | 116 | 86% | 0.855 | 64% | 0.641 | S | S | * | * | 64.5 | 114.1 | 106.3 | -85.5 | -179.9 | -110.5 | 0 | 0 | 116.8 | |||||
| 21 | A | 37.1 | Very low | 61.6 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 90% | 0.901 | 62% | 0.624 | S | S | * | * | trans | 76.4 | 60.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 22 | G | 44 | Very low | 63.3 | Low | 68 Ų | 68 | 112.2 Ų | 112.2 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -156.3 | 91.5 | 159 | 0 | 0 | 0 | 0 | 0 | 112.3 | D24 | G22-D24 PolarHBondContact O-N 2.8Š|
| 23 | L | 50.1 | Low | 65 | Low | 173 Ų | 173 | 105.9 Ų | 105.9 | 91% | 0.906 | 58% | 0.58 | S | S | * | * | trans | 24.8 | 65 | 164.8 | -68.2 | 165.2 | 0 | 0 | 0 | 114.6 | V25 | L23-V25 PolarHBondContact O-N 3.16Š| ||
| 24 | D | 62.6 | Low | 67.1 | Low | 124 Ų | 124 | 97.4 Ų | 97.4 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | trans | -73.2 | 107.4 | 177.2 | -157 | 2.2 | 0 | 0 | 0 | 107.4 | G22 W26 | G22-D24 PolarHBondContact O-N 2.8Å; D24-W26 PolarHBondContact O-N 3.03Å; D24-W26 VanDerWaalsContact O-N 3.11Å | ||
| 25 | V | 76.3 | Confident | 69.2 | Low | 85 Ų | 85 | 92.4 Ų | 92.4 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | trans | -61.4 | -15.4 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | L23 I67 | L23-V25 PolarHBondContact O-N 3.16Å; V25-I67 HydrophobicContact CG1-CG1 4.42Å | ||
| 26 | W | 84.4 | Confident | 71.4 | Confident | 30 Ų | 30 | 92.3 Ų | 92.3 | 11% | 0.114 | 51% | 0.511 | C | S | . | . | trans | -95.2 | 112.1 | -176.6 | -63.6 | 95.2 | 0 | 0 | 0 | 112.4 | D24 L34 I67 D71 I72 K75 | D24-W26 PolarHBondContact O-N 3.03Å; D24-W26 VanDerWaalsContact O-N 3.11Å; W26-L34 HydrophobicContact CH2-CD2 3.96Å; W26-L34 HydrophobicContact CZ3-CB 4.3Å; W26-L34 HydrophobicContact CZ3-CD2 3.93Å; W26-I67 HydrophobicContact CE3-CD1 4.11Å; W26-I67 HydrophobicContact CH2-CD1 4.19Å; W26-I67 HydrophobicContact CH2-CG2 4.07Å; W26-I67 HydrophobicContact CZ2-CG2 4.06Å; W26-I67 HydrophobicContact CZ3-CD1 3.86Å; W26-D71 WeakPolarHBondContact CZ2-O 2.96Å; W26-I72 HydrophobicContact CH2-CB 4.46Å; W26-I72 HydrophobicContact CH2-CG1 4Å; W26-I72 HydrophobicContact CZ2-CG1 4.45Å; W26-K75 HydrophobicContact CD2-CB 4.43Å; W26-K75 HydrophobicContact CD2-CD 4.14Å; W26-K75 HydrophobicContact CD2-CG 4.03Å; W26-K75 HydrophobicContact CE3-CG 4.42Å; W26-K75 HydrophobicContact CG-CD 4.18Å; W26-K75 HydrophobicContact CH2-CB 4.07Å; W26-K75 HydrophobicContact CH2-CG 4.16Å; W26-K75 HydrophobicContact CZ2-CB 3.37Å; W26-K75 HydrophobicContact CZ2-CG 3.76Å; W26-K75 HydrophobicContact CZ3-CG 4.48Å | ||
| 27 | N | 86.8 | Confident | 73.5 | Confident | 107 Ų | 107 | 88 Ų | 88 | 57% | 0.572 | 48% | 0.483 | S | S | * | . | trans | -86.4 | 154.7 | 163.5 | -168.1 | -2 | 0 | 0 | 0 | 110 | E29 S30 E31 | N27-E29 PolarHBondContact O-N 3.04Å; N27-S30 PolarHBondContact N-OG 3.4Å; N27-S30 WeakPolarHBondContact O-CB 3.31Å; N27-S30 PolarHBondContact O-N 3.43Å; N27-S30 PolarHBondContact O-OG 3.21Å; N27-E31 PolarHBondContact O-N 3.35Å | ||
| 28 | L | 89.8 | Confident | 75.8 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 67% | 0.67 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -50.9 | -42.4 | 174.6 | -75.4 | 159.4 | 0 | 0 | 0 | 111.6 | S30 E31 I32 | L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.09Å; L28-E31 PolarHBondContact O-N 3.01Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.36Å |
| 29 | E | 90.4 | Very high | 77.8 | Confident | 125 Ų | 125 | 81.5 Ų | 81.5 | 58% | 0.584 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 178.2 | -145.3 | 69 | -176.6 | 0 | 0 | 112.3 | N27 E31 Q33 | N27-E29 PolarHBondContact O-N 3.04Å; E29-E31 VanDerWaalsContact C-N 3.34Å; E29-Q33 WeakPolarHBondContact O-CB 3.11Å; E29-Q33 PolarHBondContact O-N 3.39Å |
| 30 | S | 90.8 | Very high | 80.1 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.007 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.9 | -33.4 | 178.2 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | N27 L28 Q33 L34 V63 | N27-S30 PolarHBondContact N-OG 3.4Å; N27-S30 WeakPolarHBondContact O-CB 3.31Å; N27-S30 PolarHBondContact O-N 3.43Å; N27-S30 PolarHBondContact O-OG 3.21Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.09Å; S30-Q33 PolarHBondContact O-N 2.91Å; S30-L34 WeakPolarHBondContact O-CB 3.39Å; S30-L34 PolarHBondContact O-N 3.11Å; S30-V63 VanDerWaalsContact CB-CG2 3.46Å |
| 31 | E | 91.7 | Very high | 82.6 | Confident | 47 Ų | 47 | 75.4 Ų | 75.4 | 22% | 0.22 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -75.3 | -41.5 | 178.6 | -179.1 | 161 | -139.6 | 0 | 0 | 111.7 | N27 L28 E29 Q33 L34 F35 K75 | N27-E31 PolarHBondContact O-N 3.35Å; L28-E31 PolarHBondContact O-N 3.01Å; E29-E31 VanDerWaalsContact C-N 3.34Å; E31-Q33 VanDerWaalsContact C-N 3.26Å; E31-Q33 PolarHBondContact O-N 3.31Å; E31-L34 WeakPolarHBondContact O-CB 3.15Å; E31-L34 PolarHBondContact O-N 2.87Å; E31-F35 HydrophobicContact CG-CD2 4.06Å; E31-F35 HydrophobicContact CG-CE2 3.37Å; E31-F35 HydrophobicContact CG-CZ 3.84Å; E31-F35 WeakPolarHBondContact O-CD2 3.34Å; E31-F35 WeakPolarHBondContact O-CG 3.46Å; E31-F35 PolarHBondContact O-N 3.02Å; E31-K75 WeakPolarHBondContact OE1-CE 3.03Å; E31-K75 IonicContact OE1-NZ 3.24Å; E31-K75 PolarHBondContact OE1-NZ 3.49Å; E31-K75 IonicContact OE2-NZ 2.8Å |
| 32 | I | 92.4 | Very high | 85.2 | Confident | 79 Ų | 79 | 74 Ų | 74 | 41% | 0.405 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.5 | -45.9 | 170.2 | -67.5 | 164.1 | 0 | 0 | 0 | 109.8 | L28 L34 F35 H36 | L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.36Å; I32-L34 VanDerWaalsContact C-N 3.35Å; I32-L34 PolarHBondContact O-N 3.14Å; I32-F35 PolarHBondContact O-N 3.45Å; I32-H36 PolarHBondContact O-N 2.79Å |
| 33 | Q | 92.7 | Very high | 87.4 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 179.9 | -170.4 | 58.5 | 17.8 | 0 | 0 | 112.8 | E29 S30 E31 F35 H36 A37 L58 F62 | E29-Q33 WeakPolarHBondContact O-CB 3.11Å; E29-Q33 PolarHBondContact O-N 3.39Å; S30-Q33 PolarHBondContact O-N 2.91Å; E31-Q33 VanDerWaalsContact C-N 3.26Å; E31-Q33 PolarHBondContact O-N 3.31Å; Q33-F35 VanDerWaalsContact C-N 3.32Å; Q33-F35 PolarHBondContact O-N 2.61Å; Q33-H36 PolarHBondContact O-N 2.92Å; Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 3.5Å; Q33-L58 VanDerWaalsContact CG-O 3.23Å; Q33-L58 WeakPolarHBondContact CG-O 3.5Å; Q33-L58 VanDerWaalsContact NE2-CD1 3.34Å; Q33-L58 VanDerWaalsContact NE2-CG 3.34Å; Q33-L58 PolarHBondContact NE2-O 3.17Å; Q33-F62 HydrophobicContact CG-CB 4.28Å; Q33-F62 HydrophobicContact CG-CD2 3.73Å; Q33-F62 HydrophobicContact CG-CG 4.3Å |
| 34 | L | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -46 | 171.7 | 177.3 | 63.3 | 0 | 0 | 0 | 110.9 | W26 S30 E31 I32 A37 I38 V55 V59 I72 K75 L76 | W26-L34 HydrophobicContact CH2-CD2 3.96Å; W26-L34 HydrophobicContact CZ3-CB 4.3Å; W26-L34 HydrophobicContact CZ3-CD2 3.93Å; S30-L34 WeakPolarHBondContact O-CB 3.39Å; S30-L34 PolarHBondContact O-N 3.11Å; E31-L34 WeakPolarHBondContact O-CB 3.15Å; E31-L34 PolarHBondContact O-N 2.87Å; I32-L34 VanDerWaalsContact C-N 3.35Å; I32-L34 PolarHBondContact O-N 3.14Å; L34-A37 PolarHBondContact O-N 3.38Å; L34-I38 HydrophobicContact CD1-CG2 4.15Å; L34-I38 WeakPolarHBondContact O-CG2 3.45Å; L34-I38 PolarHBondContact O-N 3.19Å; L34-V55 HydrophobicContact CD1-CG1 3.78Å; L34-V59 HydrophobicContact CB-CG2 4.16Å; L34-V59 HydrophobicContact CD1-CG2 4.16Å; L34-I72 HydrophobicContact CD1-CG2 3.74Å; L34-K75 HydrophobicContact CD2-CG 3.86Å; L34-L76 HydrophobicContact CD1-CD2 4.34Å; L34-L76 HydrophobicContact CD2-CD2 4.27Å; L34-L76 HydrophobicContact CG-CD2 4.46Å |
| 35 | F | 93.6 | Very high | 90.7 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 30% | 0.303 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 178.5 | -64.8 | -47.2 | 0 | 0 | 0 | 112.6 | E31 I32 Q33 A37 I38 L39 L79 Y80 | E31-F35 HydrophobicContact CG-CD2 4.06Å; E31-F35 HydrophobicContact CG-CE2 3.37Å; E31-F35 HydrophobicContact CG-CZ 3.84Å; E31-F35 WeakPolarHBondContact O-CD2 3.34Å; E31-F35 WeakPolarHBondContact O-CG 3.46Å; E31-F35 PolarHBondContact O-N 3.02Å; I32-F35 PolarHBondContact O-N 3.45Å; Q33-F35 VanDerWaalsContact C-N 3.32Å; Q33-F35 PolarHBondContact O-N 2.61Å; F35-A37 VanDerWaalsContact C-N 3.29Å; F35-A37 PolarHBondContact O-N 2.97Å; F35-I38 HydrophobicContact CD1-CD1 3.92Å; F35-I38 WeakPolarHBondContact O-CG1 3.11Å; F35-L39 VanDerWaalsContact O-CG 3.27Å; F35-L39 WeakPolarHBondContact O-CG 3.41Å; F35-L39 PolarHBondContact O-N 3Å; F35-L79 HydrophobicContact CE1-CD1 3.87Å; F35-L79 HydrophobicContact CZ-CD1 3.9Å; F35-Y80 HydrophobicContact CE1-CE2 4.48Å |
| 36 | H | 93.7 | Very high | 91.2 | Very high | 96 Ų | 96 | 57.2 Ų | 57.2 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 172.6 | -67.5 | 165.5 | 0 | 0 | 0 | 112.7 | I32 Q33 N40 | I32-H36 PolarHBondContact O-N 2.79Å; Q33-H36 PolarHBondContact O-N 2.92Å; H36-N40 PolarHBondContact O-ND2 2.96Å |
| 37 | A | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -46.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q33 L34 F35 L39 N40 H41 V55 L58 V59 | Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 3.5Å; L34-A37 PolarHBondContact O-N 3.38Å; F35-A37 VanDerWaalsContact C-N 3.29Å; F35-A37 PolarHBondContact O-N 2.97Å; A37-L39 VanDerWaalsContact C-N 3.26Å; A37-L39 PolarHBondContact O-N 3.19Å; A37-N40 PolarHBondContact O-N 3.04Å; A37-N40 VanDerWaalsContact O-N 3.16Å; A37-H41 PolarHBondContact O-N 3.47Å; A37-V55 HydrophobicContact CB-CB 4.4Å; A37-V55 HydrophobicContact CB-CG1 4Å; A37-V55 HydrophobicContact CB-CG2 4.39Å; A37-L58 HydrophobicContact CB-CB 4.12Å; A37-L58 HydrophobicContact CB-CD2 3.64Å; A37-L58 HydrophobicContact CB-CG 3.98Å; A37-V59 HydrophobicContact CB-CG2 4.44Å |
| 38 | I | 93.7 | Very high | 91.8 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.8 | -22.1 | -178.4 | 66.2 | 176.5 | 0 | 0 | 0 | 113.7 | L34 F35 N40 H41 P43 V55 L76 Y80 | L34-I38 HydrophobicContact CD1-CG2 4.15Å; L34-I38 WeakPolarHBondContact O-CG2 3.45Å; L34-I38 PolarHBondContact O-N 3.19Å; F35-I38 HydrophobicContact CD1-CD1 3.92Å; F35-I38 WeakPolarHBondContact O-CG1 3.11Å; I38-N40 VanDerWaalsContact C-N 3.28Å; I38-H41 WeakPolarHBondContact CA-O 3.48Å; I38-P43 HydrophobicContact CG2-CG 4.1Å; I38-V55 HydrophobicContact CG2-CG1 4.37Å; I38-V55 HydrophobicContact CG2-CG2 4.45Å; I38-L76 HydrophobicContact CD1-CD2 4.45Å; I38-L76 HydrophobicContact CG2-CD2 4.01Å; I38-Y80 HydrophobicContact CD1-CE2 3.88Å |
| 39 | L | 92.1 | Very high | 92.1 | Very high | 125 Ų | 125 | 56.9 Ų | 56.9 | 65% | 0.654 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.8 | -33.7 | 173.3 | -74.6 | 171.6 | 0 | 0 | 0 | 111.9 | F35 A37 | F35-L39 VanDerWaalsContact O-CG 3.27Å; F35-L39 WeakPolarHBondContact O-CG 3.41Å; F35-L39 PolarHBondContact O-N 3Å; A37-L39 VanDerWaalsContact C-N 3.26Å; A37-L39 PolarHBondContact O-N 3.19Å |
| 40 | N | 91.5 | Very high | 92.3 | Very high | 125 Ų | 125 | 57.6 Ų | 57.6 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -95.7 | -35.2 | -179.2 | -64.7 | -63.8 | 0 | 0 | 0 | 112.5 | H36 A37 I38 | H36-N40 PolarHBondContact O-ND2 2.96Å; A37-N40 PolarHBondContact O-N 3.04Å; A37-N40 VanDerWaalsContact O-N 3.16Å; I38-N40 VanDerWaalsContact C-N 3.28Å |
| 41 | H | 93.3 | Very high | 92.4 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -120.5 | 104.1 | -177.2 | -67 | -70.9 | 0 | 0 | 0 | 110.1 | A37 I38 P43 Q51 Y54 V55 | A37-H41 PolarHBondContact O-N 3.47Å; I38-H41 WeakPolarHBondContact CA-O 3.48Å; H41-P43 VanDerWaalsContact O-CD 3.25Å; H41-P43 WeakPolarHBondContact O-CD 3.31Å; H41-Q51 PolarHBondContact ND1-OE1 3.43Å; H41-Q51 VanDerWaalsContact ND1-OE1 3.08Å; H41-Y54 AromaticContact CE1-CG 3.69Å; H41-Y54 AromaticContact ND1-CG 3.85Å; H41-V55 HydrophobicContact CB-CG2 3.7Å |
| 42 | K | 91 | Very high | 92.6 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | trans | -76.4 | 115.4 | -175.4 | -155.8 | 177.9 | 69.2 | -167.5 | 0 | 109.9 | V44 Q51 E89 | K42-V44 HydrophobicContact CD-CG2 3.83Å; K42-V44 HydrophobicContact CG-CG2 3.63Å; K42-V44 PolarHBondContact O-N 3.39Å; K42-Q51 WeakPolarHBondContact O-CB 3.3Å; K42-Q51 WeakPolarHBondContact O-CG 3.37Å; K42-E89 WeakPolarHBondContact CE-OE1 3.4Å; K42-E89 WeakPolarHBondContact CE-OE2 3.42Å; K42-E89 IonicContact NZ-OE1 2.7Å; K42-E89 PolarHBondContact NZ-OE1 3.44Å; K42-E89 IonicContact NZ-OE2 2.73Å; K42-E89 PolarHBondContact NZ-OE2 3.34Å | ||
| 43 | P | 91.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 58.5 Ų | 58.5 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -78.4 | 28.1 | -174.1 | 33.5 | -36.4 | 0 | 0 | 0 | 113.7 | I38 H41 M52 W73 L76 M82 | I38-P43 HydrophobicContact CG2-CG 4.1Å; H41-P43 VanDerWaalsContact O-CD 3.25Å; H41-P43 WeakPolarHBondContact O-CD 3.31Å; P43-M52 HydrophobicContact CB-CE 3.77Å; P43-W73 WeakPolarHBondContact O-CH2 3.34Å; P43-L76 HydrophobicContact CB-CD1 3.98Å; P43-L76 HydrophobicContact CG-CD1 3.89Å; P43-M82 HydrophobicContact CB-CE 4.2Å; P43-M82 HydrophobicContact CG-CE 4.1Å; P43-M82 WeakPolarHBondContact O-CE 3.45Å |
| 44 | V | 91.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | trans | -132.5 | 175.5 | -178.8 | -70.2 | 0 | 0 | 0 | 0 | 110.3 | K42 M82 L85 E89 | K42-V44 HydrophobicContact CD-CG2 3.83Å; K42-V44 HydrophobicContact CG-CG2 3.63Å; K42-V44 PolarHBondContact O-N 3.39Å; V44-M82 HydrophobicContact CG1-CE 3.64Å; V44-M82 HydrophobicContact CG1-SD 4.35Å; V44-L85 HydrophobicContact CB-CB 4.39Å; V44-L85 HydrophobicContact CG1-CB 3.74Å; V44-L85 HydrophobicContact CG2-CB 4.26Å; V44-E89 WeakPolarHBondContact CG2-OE2 3.43Å; V44-E89 VanDerWaalsContact O-OE2 3.1Å | ||
| 45 | G | 89.8 | Confident | 92.8 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 91.5 | -167.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | D47 H86 E89 | G45-D47 VanDerWaalsContact C-N 3.31Å; G45-D47 PolarHBondContact O-N 3.04Å; G45-H86 PolarHBondContact N-ND1 3.37Å; G45-H86 PolarHBondContact O-CE1 3.27Å; G45-H86 VanDerWaalsContact O-CE1 3.23Å; G45-H86 PolarHBondContact O-ND1 3.11Å; G45-E89 WeakPolarHBondContact CA-OE2 3.38Å; G45-E89 PolarHBondContact N-OE2 3.5Å |
| 46 | A | 88.3 | Confident | 92.8 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -32.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 47 | D | 91 | Very high | 92.9 | Very high | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 18.1 | -177.9 | 64.9 | -36 | 0 | 0 | 0 | 113.2 | G45 H49 F50 Q51 | G45-D47 VanDerWaalsContact C-N 3.31Å; G45-D47 PolarHBondContact O-N 3.04Å; D47-H49 PolarHBondContact O-N 3.22Å; D47-F50 HydrophobicContact CB-CD2 4.21Å; D47-F50 WeakPolarHBondContact O-CA 3.35Å; D47-F50 WeakPolarHBondContact O-CB 3.47Å; D47-F50 PolarHBondContact O-N 2.94Å; D47-Q51 PolarHBondContact O-N 3.22Å; D47-Q51 WeakPolarHBondContact OD2-CG 3.4Å; D47-Q51 PolarHBondContact OD2-NE2 2.85Å |
| 48 | R | 92.6 | Very high | 92.8 | Very high | 85 Ų | 85 | 64.2 Ų | 64.2 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -48.9 | -36.8 | -175.9 | 70.8 | -178.7 | 178.1 | -84.5 | 5.7 | 114.8 | M52 W73 | R48-M52 VanDerWaalsContact O-CB 3.28Å; R48-M52 WeakPolarHBondContact O-CB 3.25Å; R48-M52 PolarHBondContact O-N 3.01Å; R48-W73 HydrophobicContact CB-CH2 4.25Å; R48-W73 HydrophobicContact CG-CH2 4.31Å |
| 49 | H | 95.2 | Very high | 92.8 | Very high | 109 Ų | 109 | 63.1 Ų | 63.1 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71 | -36 | -179.8 | -63.2 | -55 | 0 | 0 | 0 | 112 | D47 I53 | D47-H49 PolarHBondContact O-N 3.22Å; H49-I53 WeakPolarHBondContact O-CG1 3.5Å; H49-I53 PolarHBondContact O-N 3.41Å |
| 50 | F | 94 | Very high | 92.8 | Very high | 141 Ų | 141 | 59.4 Ų | 59.4 | 62% | 0.618 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.8 | -43.3 | 174.6 | -63.5 | -69.2 | 0 | 0 | 0 | 111 | D47 M52 I53 Y54 | D47-F50 HydrophobicContact CB-CD2 4.21Å; D47-F50 WeakPolarHBondContact O-CA 3.35Å; D47-F50 WeakPolarHBondContact O-CB 3.47Å; D47-F50 PolarHBondContact O-N 2.94Å; F50-M52 PolarHBondContact O-N 3.02Å; F50-I53 HydrophobicContact CD1-CD1 4.45Å; F50-I53 WeakPolarHBondContact O-CB 3.41Å; F50-I53 PolarHBondContact O-N 3.24Å; F50-I53 VanDerWaalsContact O-N 3.11Å; F50-Y54 WeakPolarHBondContact O-CD2 3.32Å; F50-Y54 PolarHBondContact O-N 3.22Å |
| 51 | Q | 94.1 | Very high | 92.7 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -39.4 | 174.5 | -63 | -61.1 | -17.4 | 0 | 0 | 111.3 | H41 K42 D47 I53 Y54 V55 | H41-Q51 PolarHBondContact ND1-OE1 3.43Å; H41-Q51 VanDerWaalsContact ND1-OE1 3.08Å; K42-Q51 WeakPolarHBondContact O-CB 3.3Å; K42-Q51 WeakPolarHBondContact O-CG 3.37Å; D47-Q51 PolarHBondContact O-N 3.22Å; D47-Q51 WeakPolarHBondContact OD2-CG 3.4Å; D47-Q51 PolarHBondContact OD2-NE2 2.85Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.4Å; Q51-Y54 WeakPolarHBondContact O-CB 3.35Å; Q51-Y54 PolarHBondContact O-N 3.01Å; Q51-Y54 VanDerWaalsContact O-N 3.13Å; Q51-V55 WeakPolarHBondContact O-CG2 3.38Å; Q51-V55 PolarHBondContact O-N 2.99Å |
| 52 | M | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 176.4 | -175.1 | 55.2 | 66.3 | 0 | 0 | 113.5 | P43 R48 F50 Y54 V55 C56 T69 I72 W73 L76 | P43-M52 HydrophobicContact CB-CE 3.77Å; R48-M52 VanDerWaalsContact O-CB 3.28Å; R48-M52 WeakPolarHBondContact O-CB 3.25Å; R48-M52 PolarHBondContact O-N 3.01Å; F50-M52 PolarHBondContact O-N 3.02Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 3.4Å; M52-V55 PolarHBondContact O-N 3.14Å; M52-V55 HydrophobicContact SD-CB 4.22Å; M52-V55 HydrophobicContact SD-CG1 4.35Å; M52-C56 VanDerWaalsContact O-CB 3.24Å; M52-C56 WeakPolarHBondContact O-CB 3.36Å; M52-C56 PolarHBondContact O-N 3.34Å; M52-T69 HydrophobicContact CG-CG2 3.4Å; M52-T69 HydrophobicContact SD-CG2 4.3Å; M52-I72 HydrophobicContact CE-CG2 4.12Å; M52-I72 HydrophobicContact SD-CB 4.15Å; M52-I72 HydrophobicContact SD-CG2 3.65Å; M52-W73 HydrophobicContact CB-CH2 4.45Å; M52-W73 HydrophobicContact CB-CZ2 3.66Å; M52-W73 HydrophobicContact CE-CD2 3.52Å; M52-W73 VanDerWaalsContact CE-CE2 3.41Å; M52-W73 HydrophobicContact CE-CE3 3.71Å; M52-W73 HydrophobicContact CE-CG 4.2Å; M52-W73 HydrophobicContact CE-CH2 3.66Å; M52-W73 HydrophobicContact CE-CZ2 3.49Å; M52-W73 VanDerWaalsContact CE-CZ2 3.49Å; M52-W73 HydrophobicContact CE-CZ3 3.79Å; M52-W73 HydrophobicContact CG-CZ2 3.73Å; M52-W73 HydrophobicContact SD-CZ2 4.44Å; M52-L76 HydrophobicContact CE-CD1 3.6Å |
| 53 | I | 94.7 | Very high | 91.8 | Very high | 104 Ų | 104 | 58.6 Ų | 58.6 | 53% | 0.533 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.6 | -66.3 | 165 | 0 | 0 | 0 | 110 | H49 F50 Q51 C56 N57 | H49-I53 WeakPolarHBondContact O-CG1 3.5Å; H49-I53 PolarHBondContact O-N 3.41Å; F50-I53 HydrophobicContact CD1-CD1 4.45Å; F50-I53 WeakPolarHBondContact O-CB 3.41Å; F50-I53 PolarHBondContact O-N 3.24Å; F50-I53 VanDerWaalsContact O-N 3.11Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.4Å; I53-C56 PolarHBondContact O-N 3.26Å; I53-N57 WeakPolarHBondContact O-CB 3.48Å; I53-N57 PolarHBondContact O-N 3.04Å |
| 54 | Y | 94.7 | Very high | 91.3 | Very high | 130 Ų | 130 | 63.2 Ų | 63.2 | 51% | 0.51 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.1 | -67.8 | -70.8 | 0 | 0 | 0 | 112.3 | H41 F50 Q51 M52 C56 N57 L58 | H41-Y54 AromaticContact CE1-CG 3.69Å; H41-Y54 AromaticContact ND1-CG 3.85Å; F50-Y54 WeakPolarHBondContact O-CD2 3.32Å; F50-Y54 PolarHBondContact O-N 3.22Å; Q51-Y54 WeakPolarHBondContact O-CB 3.35Å; Q51-Y54 PolarHBondContact O-N 3.01Å; Q51-Y54 VanDerWaalsContact O-N 3.13Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 3.4Å; Y54-C56 VanDerWaalsContact C-N 3.35Å; Y54-C56 PolarHBondContact O-N 3.49Å; Y54-N57 PolarHBondContact O-N 2.9Å; Y54-L58 WeakPolarHBondContact O-CB 3.33Å; Y54-L58 PolarHBondContact O-N 3.46Å |
| 55 | V | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 175.9 | 174 | 0 | 0 | 0 | 0 | 110.7 | L34 A37 I38 H41 Q51 M52 N57 L58 V59 I72 | L34-V55 HydrophobicContact CD1-CG1 3.78Å; A37-V55 HydrophobicContact CB-CB 4.4Å; A37-V55 HydrophobicContact CB-CG1 4Å; A37-V55 HydrophobicContact CB-CG2 4.39Å; I38-V55 HydrophobicContact CG2-CG1 4.37Å; I38-V55 HydrophobicContact CG2-CG2 4.45Å; H41-V55 HydrophobicContact CB-CG2 3.7Å; Q51-V55 WeakPolarHBondContact O-CG2 3.38Å; Q51-V55 PolarHBondContact O-N 2.99Å; M52-V55 PolarHBondContact O-N 3.14Å; M52-V55 HydrophobicContact SD-CB 4.22Å; M52-V55 HydrophobicContact SD-CG1 4.35Å; V55-N57 PolarHBondContact O-N 3.4Å; V55-L58 PolarHBondContact O-N 3.31Å; V55-V59 HydrophobicContact CG1-CG2 4.4Å; V55-V59 WeakPolarHBondContact O-CG2 3.23Å; V55-V59 PolarHBondContact O-N 3.04Å; V55-I72 HydrophobicContact CG1-CG2 4.08Å |
| 56 | C | 94 | Very high | 90.9 | Very high | 16 Ų | 16 | 73.6 Ų | 73.6 | 11% | 0.108 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 178.8 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | M52 I53 Y54 L58 V59 N60 T69 I72 | M52-C56 VanDerWaalsContact O-CB 3.24Å; M52-C56 WeakPolarHBondContact O-CB 3.36Å; M52-C56 PolarHBondContact O-N 3.34Å; I53-C56 PolarHBondContact O-N 3.26Å; Y54-C56 VanDerWaalsContact C-N 3.35Å; Y54-C56 PolarHBondContact O-N 3.49Å; C56-L58 VanDerWaalsContact C-N 3.33Å; C56-L58 PolarHBondContact O-N 3.33Å; C56-V59 PolarHBondContact O-N 3.39Å; C56-N60 WeakPolarHBondContact O-CB 3.43Å; C56-N60 PolarHBondContact O-N 3.47Å; C56-N60 PolarHBondContact O-ND2 3.34Å; C56-N60 VanDerWaalsContact O-ND2 3.17Å; C56-N60 PolarHBondContact SG-ND2 3.42Å; C56-N60 VanDerWaalsContact SG-ND2 3.4Å; C56-T69 PolarHBondContact SG-OG1 3.37Å; C56-I72 VanDerWaalsContact CA-CD1 3.49Å; C56-I72 HydrophobicContact CB-CD1 3.73Å |
| 57 | N | 94.1 | Very high | 91 | Very high | 114 Ų | 114 | 70.1 Ų | 70.1 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.4 | -41.3 | 177.3 | -173.4 | 49.8 | 0 | 0 | 0 | 112.1 | I53 Y54 V55 N60 S61 | I53-N57 WeakPolarHBondContact O-CB 3.48Å; I53-N57 PolarHBondContact O-N 3.04Å; Y54-N57 PolarHBondContact O-N 2.9Å; V55-N57 PolarHBondContact O-N 3.4Å; N57-N60 PolarHBondContact O-N 2.91Å; N57-S61 PolarHBondContact O-N 2.98Å |
| 58 | L | 93.1 | Very high | 91.1 | Very high | 46 Ų | 46 | 69.8 Ų | 69.8 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.9 | -28.6 | -177.5 | -175 | 56.2 | 0 | 0 | 0 | 113.1 | Q33 A37 Y54 V55 C56 S61 F62 | Q33-L58 VanDerWaalsContact CG-O 3.23Å; Q33-L58 WeakPolarHBondContact CG-O 3.5Å; Q33-L58 VanDerWaalsContact NE2-CD1 3.34Å; Q33-L58 VanDerWaalsContact NE2-CG 3.34Å; Q33-L58 PolarHBondContact NE2-O 3.17Å; A37-L58 HydrophobicContact CB-CB 4.12Å; A37-L58 HydrophobicContact CB-CD2 3.64Å; A37-L58 HydrophobicContact CB-CG 3.98Å; Y54-L58 WeakPolarHBondContact O-CB 3.33Å; Y54-L58 PolarHBondContact O-N 3.46Å; V55-L58 PolarHBondContact O-N 3.31Å; C56-L58 VanDerWaalsContact C-N 3.33Å; C56-L58 PolarHBondContact O-N 3.33Å; L58-S61 PolarHBondContact O-OG 2.91Å; L58-F62 HydrophobicContact CD1-CE2 3.95Å; L58-F62 WeakPolarHBondContact O-CD2 3.36Å |
| 59 | V | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.9 | -46.7 | 170.5 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | L34 A37 V55 C56 S61 F62 V63 I67 | L34-V59 HydrophobicContact CB-CG2 4.16Å; L34-V59 HydrophobicContact CD1-CG2 4.16Å; A37-V59 HydrophobicContact CB-CG2 4.44Å; V55-V59 HydrophobicContact CG1-CG2 4.4Å; V55-V59 WeakPolarHBondContact O-CG2 3.23Å; V55-V59 PolarHBondContact O-N 3.04Å; C56-V59 PolarHBondContact O-N 3.39Å; V59-S61 PolarHBondContact O-N 3.3Å; V59-F62 PolarHBondContact O-N 3.43Å; V59-V63 HydrophobicContact CG1-CG2 4.33Å; V59-V63 WeakPolarHBondContact O-CG2 3.38Å; V59-V63 PolarHBondContact O-N 2.98Å; V59-I67 HydrophobicContact CG1-CD1 3.82Å |
| 60 | N | 92.5 | Very high | 91.1 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.251 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72 | -10.4 | -177.9 | -71.7 | -31.5 | 0 | 0 | 0 | 114.4 | C56 N57 F62 I67 | C56-N60 WeakPolarHBondContact O-CB 3.43Å; C56-N60 PolarHBondContact O-N 3.47Å; C56-N60 PolarHBondContact O-ND2 3.34Å; C56-N60 VanDerWaalsContact O-ND2 3.17Å; C56-N60 PolarHBondContact SG-ND2 3.42Å; C56-N60 VanDerWaalsContact SG-ND2 3.4Å; N57-N60 PolarHBondContact O-N 2.91Å; N60-F62 VanDerWaalsContact C-N 3.34Å; N60-I67 PolarHBondContact ND2-O 3.23Å; N60-I67 VanDerWaalsContact ND2-O 3.07Å; N60-I67 PolarHBondContact OD1-N 3.15Å |
| 61 | S | 90.7 | Very high | 91.1 | Very high | 71 Ų | 71 | 63.2 Ų | 63.2 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.9 | 175.9 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | N57 L58 V59 | N57-S61 PolarHBondContact O-N 2.98Å; L58-S61 PolarHBondContact O-OG 2.91Å; V59-S61 PolarHBondContact O-N 3.3Å |
| 62 | F | 82.1 | Confident | 91 | Very high | 136 Ų | 136 | 61.3 Ų | 61.3 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -19.1 | -177.1 | -64.2 | -88.2 | 0 | 0 | 0 | 113.5 | Q33 L58 V59 N60 | Q33-F62 HydrophobicContact CG-CB 4.28Å; Q33-F62 HydrophobicContact CG-CD2 3.73Å; Q33-F62 HydrophobicContact CG-CG 4.3Å; L58-F62 HydrophobicContact CD1-CE2 3.95Å; L58-F62 WeakPolarHBondContact O-CD2 3.36Å; V59-F62 PolarHBondContact O-N 3.43Å; N60-F62 VanDerWaalsContact C-N 3.34Å |
| 63 | V | 83 | Confident | 91 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | trans | -96.2 | 139.4 | -178.4 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | S30 V59 D65 | S30-V63 VanDerWaalsContact CB-CG2 3.46Å; V59-V63 HydrophobicContact CG1-CG2 4.33Å; V59-V63 WeakPolarHBondContact O-CG2 3.38Å; V59-V63 PolarHBondContact O-N 2.98Å; V63-D65 WeakPolarHBondContact CG1-O 3.27Å | ||
| 64 | S | 79.6 | Confident | 90.9 | Very high | 109 Ų | 109 | 65.8 Ų | 65.8 | 76% | 0.762 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -70.5 | -35.1 | 177.9 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 65 | D | 84.7 | Confident | 90.8 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -96.6 | 123.2 | -177.4 | -61.8 | -27.3 | 0 | 0 | 0 | 109.8 | V63 I67 | V63-D65 WeakPolarHBondContact CG1-O 3.27Å; D65-I67 PolarHBondContact O-N 3.47Å |
| 66 | P | 88.5 | Confident | 90.8 | Very high | 115 Ų | 115 | 61.3 Ų | 61.3 | 75% | 0.747 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -69 | 121.3 | -177.8 | 27.6 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 67 | I | 91 | Very high | 90.7 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 128.6 | 175.2 | -55.5 | -177.5 | 0 | 0 | 0 | 108.5 | V25 W26 V59 N60 D65 D71 I72 | V25-I67 HydrophobicContact CG1-CG1 4.42Å; W26-I67 HydrophobicContact CE3-CD1 4.11Å; W26-I67 HydrophobicContact CH2-CD1 4.19Å; W26-I67 HydrophobicContact CH2-CG2 4.07Å; W26-I67 HydrophobicContact CZ2-CG2 4.06Å; W26-I67 HydrophobicContact CZ3-CD1 3.86Å; V59-I67 HydrophobicContact CG1-CD1 3.82Å; N60-I67 PolarHBondContact ND2-O 3.23Å; N60-I67 VanDerWaalsContact ND2-O 3.07Å; N60-I67 PolarHBondContact OD1-N 3.15Å; D65-I67 PolarHBondContact O-N 3.47Å; I67-D71 HydrophobicContact CG2-CB 4Å; I67-I72 HydrophobicContact CG2-CD1 4.46Å; I67-I72 HydrophobicContact CG2-CG1 3.78Å |
| 68 | S | 93.1 | Very high | 90.5 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 147.3 | 175.2 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | D70 D71 I72 | S68-D70 PolarHBondContact O-N 3.3Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D70 PolarHBondContact OG-N 3.07Å; S68-D71 PolarHBondContact O-N 3.49Å; S68-I72 PolarHBondContact O-N 2.92Å |
| 69 | T | 93.7 | Very high | 90.4 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 31% | 0.307 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53 | -35.9 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | M52 C56 D71 I72 W73 | M52-T69 HydrophobicContact CG-CG2 3.4Å; M52-T69 HydrophobicContact SD-CG2 4.3Å; C56-T69 PolarHBondContact SG-OG1 3.37Å; T69-D71 VanDerWaalsContact C-N 3.32Å; T69-D71 PolarHBondContact O-N 2.85Å; T69-I72 PolarHBondContact O-N 2.89Å; T69-W73 PolarHBondContact O-N 3.34Å |
| 70 | D | 93.9 | Very high | 90.3 | Very high | 103 Ų | 103 | 64 Ų | 64 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.8 | -36 | 178.6 | -65.7 | -25.5 | 0 | 0 | 0 | 112.6 | S68 W73 K74 | S68-D70 PolarHBondContact O-N 3.3Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D70 PolarHBondContact OG-N 3.07Å; D70-W73 PolarHBondContact O-N 3.24Å; D70-K74 VanDerWaalsContact O-CG 3.31Å; D70-K74 WeakPolarHBondContact O-CG 3.42Å; D70-K74 PolarHBondContact O-N 2.81Å |
| 71 | D | 93.2 | Very high | 90.3 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.5 | -35.2 | -180 | -61.9 | -37 | 0 | 0 | 0 | 110.9 | W26 I67 S68 T69 K74 K75 | W26-D71 WeakPolarHBondContact CZ2-O 2.96Å; I67-D71 HydrophobicContact CG2-CB 4Å; S68-D71 PolarHBondContact O-N 3.49Å; T69-D71 VanDerWaalsContact C-N 3.32Å; T69-D71 PolarHBondContact O-N 2.85Å; D71-K74 PolarHBondContact O-N 2.84Å; D71-K74 IonicContact OD1-NZ 3.72Å; D71-K74 PolarHBondContact OD1-NZ 3.47Å; D71-K75 WeakPolarHBondContact O-CB 2.94Å; D71-K75 PolarHBondContact O-N 3.44Å |
| 72 | I | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 171.3 | -56.7 | 176.6 | 0 | 0 | 0 | 110.3 | W26 L34 M52 V55 C56 I67 S68 T69 K74 K75 L76 | W26-I72 HydrophobicContact CH2-CB 4.46Å; W26-I72 HydrophobicContact CH2-CG1 4Å; W26-I72 HydrophobicContact CZ2-CG1 4.45Å; L34-I72 HydrophobicContact CD1-CG2 3.74Å; M52-I72 HydrophobicContact CE-CG2 4.12Å; M52-I72 HydrophobicContact SD-CB 4.15Å; M52-I72 HydrophobicContact SD-CG2 3.65Å; V55-I72 HydrophobicContact CG1-CG2 4.08Å; C56-I72 VanDerWaalsContact CA-CD1 3.49Å; C56-I72 HydrophobicContact CB-CD1 3.73Å; I67-I72 HydrophobicContact CG2-CD1 4.46Å; I67-I72 HydrophobicContact CG2-CG1 3.78Å; S68-I72 PolarHBondContact O-N 2.92Å; T69-I72 PolarHBondContact O-N 2.89Å; I72-K74 PolarHBondContact O-N 3.47Å; I72-K75 PolarHBondContact O-N 3.32Å; I72-L76 HydrophobicContact CG2-CD1 3.98Å; I72-L76 HydrophobicContact CG2-CG 4.38Å; I72-L76 WeakPolarHBondContact O-CB 3.28Å; I72-L76 WeakPolarHBondContact O-CG 3.24Å; I72-L76 PolarHBondContact O-N 3.17Å |
| 73 | W | 94.4 | Very high | 90.7 | Very high | 65 Ų | 65 | 64.8 Ų | 64.8 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.6 | -78.2 | 117.3 | 0 | 0 | 0 | 112.5 | P43 R48 M52 T69 D70 K75 L76 G77 M82 | P43-W73 WeakPolarHBondContact O-CH2 3.34Å; R48-W73 HydrophobicContact CB-CH2 4.25Å; R48-W73 HydrophobicContact CG-CH2 4.31Å; M52-W73 HydrophobicContact CB-CH2 4.45Å; M52-W73 HydrophobicContact CB-CZ2 3.66Å; M52-W73 HydrophobicContact CE-CD2 3.52Å; M52-W73 VanDerWaalsContact CE-CE2 3.41Å; M52-W73 HydrophobicContact CE-CE3 3.71Å; M52-W73 HydrophobicContact CE-CG 4.2Å; M52-W73 HydrophobicContact CE-CH2 3.66Å; M52-W73 HydrophobicContact CE-CZ2 3.49Å; M52-W73 VanDerWaalsContact CE-CZ2 3.49Å; M52-W73 HydrophobicContact CE-CZ3 3.79Å; M52-W73 HydrophobicContact CG-CZ2 3.73Å; M52-W73 HydrophobicContact SD-CZ2 4.44Å; T69-W73 PolarHBondContact O-N 3.34Å; D70-W73 PolarHBondContact O-N 3.24Å; W73-K75 PolarHBondContact O-N 3.4Å; W73-L76 PolarHBondContact O-N 3.02Å; W73-G77 PolarHBondContact O-N 3.44Å; W73-M82 HydrophobicContact CE3-CE 4.06Å; W73-M82 HydrophobicContact CZ3-CE 3.48Å; W73-M82 VanDerWaalsContact CZ3-CE 3.48Å |
| 74 | K | 92.8 | Very high | 91.1 | Very high | 135 Ų | 135 | 67.5 Ų | 67.5 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 177.3 | -70.1 | 170.3 | -158.2 | 157.1 | 0 | 111.6 | D70 D71 I72 G77 S78 | D70-K74 VanDerWaalsContact O-CG 3.31Å; D70-K74 WeakPolarHBondContact O-CG 3.42Å; D70-K74 PolarHBondContact O-N 2.81Å; D71-K74 PolarHBondContact O-N 2.84Å; D71-K74 IonicContact OD1-NZ 3.72Å; D71-K74 PolarHBondContact OD1-NZ 3.47Å; I72-K74 PolarHBondContact O-N 3.47Å; K74-G77 PolarHBondContact O-N 3.45Å; K74-S78 PolarHBondContact O-N 3.24Å |
| 75 | K | 92 | Very high | 91.6 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 15% | 0.148 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 178.5 | -176.2 | 66.5 | 173 | -177.9 | 0 | 110.9 | W26 E31 L34 D71 I72 W73 G77 S78 L79 | W26-K75 HydrophobicContact CD2-CB 4.43Å; W26-K75 HydrophobicContact CD2-CD 4.14Å; W26-K75 HydrophobicContact CD2-CG 4.03Å; W26-K75 HydrophobicContact CE3-CG 4.42Å; W26-K75 HydrophobicContact CG-CD 4.18Å; W26-K75 HydrophobicContact CH2-CB 4.07Å; W26-K75 HydrophobicContact CH2-CG 4.16Å; W26-K75 HydrophobicContact CZ2-CB 3.37Å; W26-K75 HydrophobicContact CZ2-CG 3.76Å; W26-K75 HydrophobicContact CZ3-CG 4.48Å; E31-K75 WeakPolarHBondContact OE1-CE 3.03Å; E31-K75 IonicContact OE1-NZ 3.24Å; E31-K75 PolarHBondContact OE1-NZ 3.49Å; E31-K75 IonicContact OE2-NZ 2.8Å; L34-K75 HydrophobicContact CD2-CG 3.86Å; D71-K75 WeakPolarHBondContact O-CB 2.94Å; D71-K75 PolarHBondContact O-N 3.44Å; I72-K75 PolarHBondContact O-N 3.32Å; W73-K75 PolarHBondContact O-N 3.4Å; K75-G77 PolarHBondContact O-N 3.19Å; K75-S78 WeakPolarHBondContact O-CB 3.19Å; K75-S78 PolarHBondContact O-N 2.73Å; K75-L79 HydrophobicContact CD-CD1 4.41Å; K75-L79 HydrophobicContact CG-CD1 4.29Å; K75-L79 WeakPolarHBondContact O-CG 3.03Å; K75-L79 PolarHBondContact O-N 2.87Å; K75-L79 VanDerWaalsContact O-N 3.16Å |
| 76 | L | 93.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 176.1 | -70.6 | 173.6 | 0 | 0 | 0 | 112.6 | L34 I38 P43 M52 I72 W73 S78 L79 Y80 M82 | L34-L76 HydrophobicContact CD1-CD2 4.34Å; L34-L76 HydrophobicContact CD2-CD2 4.27Å; L34-L76 HydrophobicContact CG-CD2 4.46Å; I38-L76 HydrophobicContact CD1-CD2 4.45Å; I38-L76 HydrophobicContact CG2-CD2 4.01Å; P43-L76 HydrophobicContact CB-CD1 3.98Å; P43-L76 HydrophobicContact CG-CD1 3.89Å; M52-L76 HydrophobicContact CE-CD1 3.6Å; I72-L76 HydrophobicContact CG2-CD1 3.98Å; I72-L76 HydrophobicContact CG2-CG 4.38Å; I72-L76 WeakPolarHBondContact O-CB 3.28Å; I72-L76 WeakPolarHBondContact O-CG 3.24Å; I72-L76 PolarHBondContact O-N 3.17Å; W73-L76 PolarHBondContact O-N 3.02Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 2.98Å; L76-L79 PolarHBondContact O-N 3.16Å; L76-Y80 HydrophobicContact CD2-CD2 4.08Å; L76-Y80 HydrophobicContact CD2-CE2 4.24Å; L76-Y80 WeakPolarHBondContact O-CA 3.33Å; L76-Y80 PolarHBondContact O-N 3.42Å; L76-M82 HydrophobicContact CB-CE 4.45Å; L76-M82 HydrophobicContact CB-SD 4.06Å; L76-M82 HydrophobicContact CD1-CE 4.49Å |
| 77 | G | 92.3 | Very high | 91.8 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.2 | -23 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | W73 K74 K75 | W73-G77 PolarHBondContact O-N 3.44Å; K74-G77 PolarHBondContact O-N 3.45Å; K75-G77 PolarHBondContact O-N 3.19Å |
| 78 | S | 90.2 | Very high | 91.6 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 60% | 0.601 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -74.4 | -39.7 | 171.6 | -175 | 0 | 0 | 0 | 0 | 111.9 | K74 K75 L76 | K74-S78 PolarHBondContact O-N 3.24Å; K75-S78 WeakPolarHBondContact O-CB 3.19Å; K75-S78 PolarHBondContact O-N 2.73Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 2.98Å |
| 79 | L | 90.3 | Very high | 91.3 | Very high | 33 Ų | 33 | 66.8 Ų | 66.8 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -85.7 | -39.1 | -175.7 | -64.1 | 177.6 | 0 | 0 | 0 | 113.8 | F35 K75 L76 | F35-L79 HydrophobicContact CE1-CD1 3.87Å; F35-L79 HydrophobicContact CZ-CD1 3.9Å; K75-L79 HydrophobicContact CD-CD1 4.41Å; K75-L79 HydrophobicContact CG-CD1 4.29Å; K75-L79 WeakPolarHBondContact O-CG 3.03Å; K75-L79 PolarHBondContact O-N 2.87Å; K75-L79 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3.16Å |
| 80 | Y | 91.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 69.7 Ų | 69.7 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -124.8 | 147.9 | -172.4 | -61.7 | -78.8 | 0 | 0 | 0 | 111.6 | F35 I38 L76 M82 L85 | F35-Y80 HydrophobicContact CE1-CE2 4.48Å; I38-Y80 HydrophobicContact CD1-CE2 3.88Å; L76-Y80 HydrophobicContact CD2-CD2 4.08Å; L76-Y80 HydrophobicContact CD2-CE2 4.24Å; L76-Y80 WeakPolarHBondContact O-CA 3.33Å; L76-Y80 PolarHBondContact O-N 3.42Å; Y80-M82 PolarHBondContact O-N 2.93Å; Y80-M82 VanDerWaalsContact O-N 3.09Å; Y80-L85 HydrophobicContact CD1-CD1 4.39Å; Y80-L85 HydrophobicContact CG-CD1 4.33Å |
| 81 | N | 92.6 | Very high | 89.7 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | trans | -78 | 90.9 | 167.9 | -172.2 | 2.8 | 0 | 0 | 0 | 110 | E83 E84 L85 | N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 2.95Å; N81-E84 HydrophobicContact CB-CB 4.15Å; N81-E84 VanDerWaalsContact ND2-CB 3.31Å; N81-E84 WeakPolarHBondContact ND2-CB 3.45Å; N81-E84 PolarHBondContact ND2-OE2 3.33Å; N81-E84 PolarHBondContact O-N 3.36Å; N81-L85 WeakPolarHBondContact O-CG 3.49Å; N81-L85 PolarHBondContact O-N 3Å; N81-L85 VanDerWaalsContact O-N 3.14Å | ||
| 82 | M | 91.1 | Very high | 88.7 | Confident | 32 Ų | 32 | 71 Ų | 71 | 16% | 0.158 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.1 | -30.2 | -173.8 | -66.1 | -59.5 | -73.3 | 0 | 0 | 113.6 | P43 V44 W73 L76 Y80 L85 H86 | P43-M82 HydrophobicContact CB-CE 4.2Å; P43-M82 HydrophobicContact CG-CE 4.1Å; P43-M82 WeakPolarHBondContact O-CE 3.45Å; V44-M82 HydrophobicContact CG1-CE 3.64Å; V44-M82 HydrophobicContact CG1-SD 4.35Å; W73-M82 HydrophobicContact CE3-CE 4.06Å; W73-M82 HydrophobicContact CZ3-CE 3.48Å; W73-M82 VanDerWaalsContact CZ3-CE 3.48Å; L76-M82 HydrophobicContact CB-CE 4.45Å; L76-M82 HydrophobicContact CB-SD 4.06Å; L76-M82 HydrophobicContact CD1-CE 4.49Å; Y80-M82 PolarHBondContact O-N 2.93Å; Y80-M82 VanDerWaalsContact O-N 3.09Å; M82-L85 HydrophobicContact SD-CD1 4.33Å; M82-H86 WeakPolarHBondContact O-CB 3.19Å; M82-H86 PolarHBondContact O-N 3.21Å |
| 83 | E | 91 | Very high | 87.6 | Confident | 153 Ų | 153 | 78.4 Ų | 78.4 | 72% | 0.715 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.6 | -49.1 | 178.4 | -64.3 | -175.6 | 168.6 | 0 | 0 | 110.9 | N81 L85 H86 D87 | N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 2.95Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 2.93Å; E83-H86 WeakPolarHBondContact O-CB 3.43Å; E83-H86 PolarHBondContact O-N 2.98Å; E83-H86 VanDerWaalsContact O-N 3.14Å; E83-D87 PolarHBondContact O-N 3.04Å |
| 84 | E | 90.6 | Very high | 86.4 | Confident | 85 Ų | 85 | 82.6 Ų | 82.6 | 40% | 0.397 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 178.1 | -179.8 | 175.1 | -171.5 | 0 | 0 | 112.3 | F9 N81 H86 D87 S88 | F9-E84 WeakPolarHBondContact CD1-OE1 3.38Å; F9-E84 WeakPolarHBondContact CE1-OE1 3.46Å; N81-E84 HydrophobicContact CB-CB 4.15Å; N81-E84 VanDerWaalsContact ND2-CB 3.31Å; N81-E84 WeakPolarHBondContact ND2-CB 3.45Å; N81-E84 PolarHBondContact ND2-OE2 3.33Å; N81-E84 PolarHBondContact O-N 3.36Å; E84-H86 VanDerWaalsContact C-N 3.35Å; E84-D87 PolarHBondContact O-N 3.23Å; E84-S88 WeakPolarHBondContact O-CB 3.32Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 3.42Å |
| 85 | L | 91 | Very high | 85.5 | Confident | 50 Ų | 50 | 81.1 Ų | 81.1 | 26% | 0.262 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 175 | -70.7 | 176.4 | 0 | 0 | 0 | 111.9 | V44 Y80 N81 M82 E83 S88 | V44-L85 HydrophobicContact CB-CB 4.39Å; V44-L85 HydrophobicContact CG1-CB 3.74Å; V44-L85 HydrophobicContact CG2-CB 4.26Å; Y80-L85 HydrophobicContact CD1-CD1 4.39Å; Y80-L85 HydrophobicContact CG-CD1 4.33Å; N81-L85 WeakPolarHBondContact O-CG 3.49Å; N81-L85 PolarHBondContact O-N 3Å; N81-L85 VanDerWaalsContact O-N 3.14Å; M82-L85 HydrophobicContact SD-CD1 4.33Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 2.93Å; L85-S88 PolarHBondContact O-N 2.99Å; L85-S88 PolarHBondContact O-OG 3.01Å |
| 86 | H | 89 | Confident | 84.9 | Confident | 69 Ų | 69 | 88.4 Ų | 88.4 | 32% | 0.319 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.7 | -178.9 | 65.5 | 0 | 0 | 0 | 112.1 | G45 M82 E83 E84 E89 | G45-H86 PolarHBondContact N-ND1 3.37Å; G45-H86 PolarHBondContact O-CE1 3.27Å; G45-H86 VanDerWaalsContact O-CE1 3.23Å; G45-H86 PolarHBondContact O-ND1 3.11Å; M82-H86 WeakPolarHBondContact O-CB 3.19Å; M82-H86 PolarHBondContact O-N 3.21Å; E83-H86 WeakPolarHBondContact O-CB 3.43Å; E83-H86 PolarHBondContact O-N 2.98Å; E83-H86 VanDerWaalsContact O-N 3.14Å; E84-H86 VanDerWaalsContact C-N 3.35Å; H86-E89 PolarHBondContact O-N 2.88Å |
| 87 | D | 87.5 | Confident | 84.4 | Confident | 134 Ų | 134 | 97.9 Ų | 97.9 | 72% | 0.717 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.4 | -30.5 | -178.7 | -69.6 | -13.9 | 0 | 0 | 0 | 112.8 | E83 E84 E89 | E83-D87 PolarHBondContact O-N 3.04Å; E84-D87 PolarHBondContact O-N 3.23Å; D87-E89 PolarHBondContact O-N 3.13Å |
| 88 | S | 87.1 | Confident | 84.2 | Confident | 84 Ų | 84 | 104.2 Ų | 104.2 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -11.4 | 177.9 | 75.1 | 0 | 0 | 0 | 0 | 114.1 | E84 L85 V90 | E84-S88 WeakPolarHBondContact O-CB 3.32Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 3.42Å; L85-S88 PolarHBondContact O-N 2.99Å; L85-S88 PolarHBondContact O-OG 3.01Å; S88-V90 PolarHBondContact O-N 3.38Å |
| 89 | E | 86.2 | Confident | 84.2 | Confident | 45 Ų | 45 | 108.2 Ų | 108.2 | 21% | 0.21 | 55% | 0.547 | C | S | . | . | trans | -78.3 | 120 | -174.1 | 178 | 153.1 | -159 | 0 | 0 | 112.8 | K42 V44 G45 H86 D87 N91 | K42-E89 WeakPolarHBondContact CE-OE1 3.4Å; K42-E89 WeakPolarHBondContact CE-OE2 3.42Å; K42-E89 IonicContact NZ-OE1 2.7Å; K42-E89 PolarHBondContact NZ-OE1 3.44Å; K42-E89 IonicContact NZ-OE2 2.73Å; K42-E89 PolarHBondContact NZ-OE2 3.34Å; V44-E89 WeakPolarHBondContact CG2-OE2 3.43Å; V44-E89 VanDerWaalsContact O-OE2 3.1Å; G45-E89 WeakPolarHBondContact CA-OE2 3.38Å; G45-E89 PolarHBondContact N-OE2 3.5Å; H86-E89 PolarHBondContact O-N 2.88Å; D87-E89 PolarHBondContact O-N 3.13Å; E89-N91 PolarHBondContact O-N 3.06Å | ||
| 90 | V | 79.6 | Confident | 84.2 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 67% | 0.673 | 57% | 0.572 | S | S | * | * | trans | -77.4 | 105.6 | 171.5 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | S88 P92 | S88-V90 PolarHBondContact O-N 3.38Å; V90-P92 WeakPolarHBondContact O-CD 3.32Å | ||
| 91 | N | 74 | Confident | 84.2 | Confident | 64 Ų | 64 | 114.7 Ų | 114.7 | 34% | 0.342 | 59% | 0.586 | S | S | . | * | trans | -66.1 | 119.9 | 169.6 | -179.4 | 2.5 | 0 | 0 | 0 | 109.7 | E89 F93 | E89-N91 PolarHBondContact O-N 3.06Å; N91-F93 PolarHBondContact ND2-O 2.75Å; N91-F93 PolarHBondContact O-N 2.93Å; N91-F93 WeakPolarHBondContact OD1-CB 3.44Å; N91-F93 VanDerWaalsContact OD1-CD2 3.32Å; N91-F93 WeakPolarHBondContact OD1-CD2 3.48Å; N91-F93 PolarHBondContact OD1-N 3.23Å | ||
| 92 | P | 72.6 | Confident | 84 | Confident | 109 Ų | 109 | 113.6 Ų | 113.6 | 71% | 0.708 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -64 | -23.3 | 178.2 | 27.4 | -35.6 | 0 | 0 | 0 | 112.3 | V90 Q94 | V90-P92 WeakPolarHBondContact O-CD 3.32Å; P92-Q94 PolarHBondContact O-N 3.08Å |
| 93 | F | 70.4 | Confident | 84.1 | Confident | 156 Ų | 156 | 115 Ų | 115 | 68% | 0.684 | 59% | 0.591 | S | S | * | * | trans | -84 | 71.4 | 171 | -49.4 | -69.2 | 0 | 0 | 0 | 109.5 | N91 S95 | N91-F93 PolarHBondContact ND2-O 2.75Å; N91-F93 PolarHBondContact O-N 2.93Å; N91-F93 WeakPolarHBondContact OD1-CB 3.44Å; N91-F93 VanDerWaalsContact OD1-CD2 3.32Å; N91-F93 WeakPolarHBondContact OD1-CD2 3.48Å; N91-F93 PolarHBondContact OD1-N 3.23Å; F93-S95 PolarHBondContact O-N 2.77Å | ||
| 94 | Q | 69.3 | Low | 84.2 | Confident | 153 Ų | 153 | 115.8 Ų | 115.8 | 72% | 0.715 | 60% | 0.595 | S | S | * | * | trans | -69 | 69.2 | 162.7 | -64.8 | -175.1 | -8.2 | 0 | 0 | 108.6 | P92 K96 | P92-Q94 PolarHBondContact O-N 3.08Å; Q94-K96 PolarHBondContact O-N 3.4Å | ||
| 95 | S | 73.6 | Confident | 84.2 | Confident | 105 Ų | 105 | 118.2 Ų | 118.2 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -65.4 | 98.9 | 174.2 | 46.7 | 0 | 0 | 0 | 0 | 107.8 | F93 M97 | F93-S95 PolarHBondContact O-N 2.77Å; S95-M97 PolarHBondContact O-N 2.9Å | ||
| 96 | K | 80.8 | Confident | 84.2 | Confident | 186 Ų | 186 | 120.3 Ų | 120.3 | 81% | 0.809 | 61% | 0.611 | S | S | * | * | trans | -61.5 | 132.9 | 165.2 | -63.4 | -179.3 | -177.2 | 178.8 | 0 | 106.9 | Q94 K98 | Q94-K96 PolarHBondContact O-N 3.4Å; K96-K98 PolarHBondContact O-N 3.07Å; K96-K98 VanDerWaalsContact O-N 3.07Å | ||
| 97 | M | 82.9 | Confident | 84.2 | Confident | 201 Ų | 201 | 120.8 Ų | 120.8 | 99% | 0.99 | 62% | 0.616 | S | S | * | * | trans | -57.7 | 118.9 | 171.1 | -60 | -175.6 | -150.8 | 0 | 0 | 107.8 | S95 | S95-M97 PolarHBondContact O-N 2.9Š| ||
| 98 | K | 86.4 | Confident | 84.2 | Confident | 176 Ų | 176 | 118.2 Ų | 118.2 | 77% | 0.765 | 61% | 0.609 | S | S | * | * | trans | -132 | 135.2 | 177.1 | -174.7 | -176.4 | 174.2 | -177.2 | 0 | 107 | K96 F100 | K96-K98 PolarHBondContact O-N 3.07Å; K96-K98 VanDerWaalsContact O-N 3.07Å; K98-F100 PolarHBondContact O-N 3.31Å | ||
| 99 | E | 90.8 | Very high | 84.2 | Confident | 170 Ų | 170 | 118.1 Ų | 118.1 | 79% | 0.794 | 60% | 0.601 | S | S | * | * | trans | -55.3 | 130.3 | 171.3 | -169.7 | 59.8 | -146.2 | 0 | 0 | 109.1 | S101 | E99-S101 PolarHBondContact O-N 3.24Š| ||
| 100 | F | 90.5 | Very high | 84.1 | Confident | 159 Ų | 159 | 120.8 Ų | 120.8 | 70% | 0.697 | 61% | 0.612 | S | S | * | * | trans | -69.6 | 119.5 | -179.8 | 172.2 | -95.1 | 0 | 0 | 0 | 109.4 | K98 L102 | K98-F100 PolarHBondContact O-N 3.31Å; F100-L102 HydrophobicContact CE1-CB 4.2Å; F100-L102 HydrophobicContact CE1-CD1 4.47Å; F100-L102 HydrophobicContact CZ-CB 4.24Å; F100-L102 HydrophobicContact CZ-CD1 3.82Å | ||
| 101 | S | 91.4 | Very high | 84.5 | Confident | 82 Ų | 82 | 120.2 Ų | 120.2 | 57% | 0.573 | 61% | 0.613 | S | S | * | * | trans | -118.8 | 123.2 | 167.7 | 62.1 | 0 | 0 | 0 | 0 | 108.4 | E99 | E99-S101 PolarHBondContact O-N 3.24Š| ||
| 102 | L | 89.3 | Confident | 85 | Confident | 62 Ų | 62 | 121.3 Ų | 121.3 | 33% | 0.325 | 62% | 0.619 | S | S | . | * | trans | -66 | 130.2 | 175.8 | -169.4 | 70.4 | 0 | 0 | 0 | 109.5 | F100 Y106 K110 | F100-L102 HydrophobicContact CE1-CB 4.2Å; F100-L102 HydrophobicContact CE1-CD1 4.47Å; F100-L102 HydrophobicContact CZ-CB 4.24Å; F100-L102 HydrophobicContact CZ-CD1 3.82Å; L102-Y106 HydrophobicContact CD1-CD2 3.7Å; L102-Y106 HydrophobicContact CD1-CE2 4.26Å; L102-Y106 HydrophobicContact CD1-CG 4.21Å; L102-Y106 HydrophobicContact CD2-CD2 4.25Å; L102-Y106 HydrophobicContact CD2-CG 4.1Å; L102-Y106 HydrophobicContact CG-CD2 3.72Å; L102-Y106 HydrophobicContact CG-CG 4.09Å; L102-K110 HydrophobicContact CD2-CD 4.37Å; L102-K110 VanDerWaalsContact CD2-CE 3.4Å; L102-K110 HydrophobicContact CD2-CG 4.17Å | ||
| 103 | P | 92.6 | Very high | 85.7 | Confident | 61 Ų | 61 | 125.4 Ų | 125.4 | 40% | 0.396 | 63% | 0.625 | S | S | . | * | trans | -52.5 | 146.8 | 175.5 | -28.3 | 35.9 | 0 | 0 | 0 | 113 | E105 Y106 | P103-E105 HydrophobicContact CB-CG 3.98Å; P103-E105 PolarHBondContact O-N 2.7Å; P103-Y106 HydrophobicContact CB-CD2 3.91Å; P103-Y106 HydrophobicContact CB-CE2 3.98Å; P103-Y106 HydrophobicContact CG-CD2 4.18Å; P103-Y106 HydrophobicContact CG-CE2 3.95Å; P103-Y106 WeakPolarHBondContact O-CD2 3.38Å; P103-Y106 PolarHBondContact O-N 3.14Å; P103-Y106 VanDerWaalsContact O-N 3.14Å | ||
| 104 | E | 91.8 | Very high | 86.4 | Confident | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.794 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -59.6 | -27.6 | -175.3 | -64.6 | 179.6 | -179.8 | 0 | 0 | 112.9 | Y106 D107 | E104-Y106 PolarHBondContact O-N 3.01Å; E104-D107 WeakPolarHBondContact O-CB 3.45Å; E104-D107 PolarHBondContact O-N 3.02Å |
| 105 | E | 92 | Very high | 87.2 | Confident | 136 Ų | 136 | 123.9 Ų | 123.9 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -56.3 | -23.4 | 176.8 | 67.7 | -155.5 | -129.3 | 0 | 0 | 113.8 | P103 | P103-E105 HydrophobicContact CB-CG 3.98Å; P103-E105 PolarHBondContact O-N 2.7Å |
| 106 | Y | 90.7 | Very high | 87.2 | Confident | 93 Ų | 93 | 122.8 Ų | 122.8 | 37% | 0.365 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -94.7 | 1.9 | -179.4 | -58.2 | -67 | 0 | 0 | 0 | 114.1 | L102 P103 E104 S108 L109 K110 | L102-Y106 HydrophobicContact CD1-CD2 3.7Å; L102-Y106 HydrophobicContact CD1-CE2 4.26Å; L102-Y106 HydrophobicContact CD1-CG 4.21Å; L102-Y106 HydrophobicContact CD2-CD2 4.25Å; L102-Y106 HydrophobicContact CD2-CG 4.1Å; L102-Y106 HydrophobicContact CG-CD2 3.72Å; L102-Y106 HydrophobicContact CG-CG 4.09Å; P103-Y106 HydrophobicContact CB-CD2 3.91Å; P103-Y106 HydrophobicContact CB-CE2 3.98Å; P103-Y106 HydrophobicContact CG-CD2 4.18Å; P103-Y106 HydrophobicContact CG-CE2 3.95Å; P103-Y106 WeakPolarHBondContact O-CD2 3.38Å; P103-Y106 PolarHBondContact O-N 3.14Å; P103-Y106 VanDerWaalsContact O-N 3.14Å; E104-Y106 PolarHBondContact O-N 3.01Å; Y106-S108 PolarHBondContact O-N 3.17Å; Y106-L109 HydrophobicContact CD1-CD1 4.02Å; Y106-L109 WeakPolarHBondContact O-CB 3.49Å; Y106-L109 PolarHBondContact O-N 3.4Å; Y106-K110 PolarHBondContact O-N 3.16Å |
| 107 | D | 89.6 | Confident | 86.9 | Confident | 79 Ų | 79 | 119.7 Ų | 119.7 | 42% | 0.422 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.3 | -31.2 | 179.7 | -72.9 | -19.7 | 0 | 0 | 0 | 112.3 | E104 L109 K110 S111 | E104-D107 WeakPolarHBondContact O-CB 3.45Å; E104-D107 PolarHBondContact O-N 3.02Å; D107-L109 VanDerWaalsContact C-N 3.28Å; D107-L109 PolarHBondContact O-N 3.08Å; D107-K110 WeakPolarHBondContact O-CB 3.42Å; D107-K110 PolarHBondContact O-N 2.95Å; D107-K110 VanDerWaalsContact O-N 3.17Å; D107-K110 WeakPolarHBondContact OD1-CD 3.46Å; D107-K110 IonicContact OD1-NZ 2.85Å; D107-K110 PolarHBondContact OD1-NZ 2.91Å; D107-S111 PolarHBondContact O-N 3.08Å |
| 108 | S | 87.4 | Confident | 86.2 | Confident | 81 Ų | 81 | 115.5 Ų | 115.5 | 57% | 0.566 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.3 | -35.1 | 171.1 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | Y106 S111 | Y106-S108 PolarHBondContact O-N 3.17Å; S108-S111 PolarHBondContact O-OG 2.86Å |
| 109 | L | 86.2 | Confident | 85.1 | Confident | 82 Ų | 82 | 112.8 Ų | 112.8 | 43% | 0.429 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78.5 | -31.4 | 175.1 | -62.9 | 179.7 | 0 | 0 | 0 | 111.9 | Y106 D107 S111 L112 R116 | Y106-L109 HydrophobicContact CD1-CD1 4.02Å; Y106-L109 WeakPolarHBondContact O-CB 3.49Å; Y106-L109 PolarHBondContact O-N 3.4Å; D107-L109 VanDerWaalsContact C-N 3.28Å; D107-L109 PolarHBondContact O-N 3.08Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.77Å; L109-L112 HydrophobicContact CD2-CD1 3.96Å; L109-L112 PolarHBondContact O-N 2.92Å; L109-R116 WeakPolarHBondContact O-CD 3.47Å; L109-R116 PolarHBondContact O-NH1 3.44Å |
| 110 | K | 85.2 | Confident | 83.4 | Confident | 100 Ų | 100 | 111.6 Ų | 111.6 | 44% | 0.435 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.1 | -34.6 | 176.3 | -72 | -177 | -175.9 | 139.1 | 0 | 112.2 | L102 Y106 D107 L112 R116 | L102-K110 HydrophobicContact CD2-CD 4.37Å; L102-K110 VanDerWaalsContact CD2-CE 3.4Å; L102-K110 HydrophobicContact CD2-CG 4.17Å; Y106-K110 PolarHBondContact O-N 3.16Å; D107-K110 WeakPolarHBondContact O-CB 3.42Å; D107-K110 PolarHBondContact O-N 2.95Å; D107-K110 VanDerWaalsContact O-N 3.17Å; D107-K110 WeakPolarHBondContact OD1-CD 3.46Å; D107-K110 IonicContact OD1-NZ 2.85Å; D107-K110 PolarHBondContact OD1-NZ 2.91Å; K110-L112 VanDerWaalsContact C-N 3.35Å; K110-R116 VanDerWaalsContact CA-NH1 3.3Å; K110-R116 PolarHBondContact O-NH1 3.19Å |
| 111 | S | 86.4 | Confident | 81.6 | Confident | 99 Ų | 99 | 108.8 Ų | 108.8 | 69% | 0.692 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -77.4 | -17.6 | -179.4 | 66.1 | 0 | 0 | 0 | 0 | 114 | D107 S108 L109 | D107-S111 PolarHBondContact O-N 3.08Å; S108-S111 PolarHBondContact O-OG 2.86Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.77Å |
| 112 | L | 85.9 | Confident | 79.8 | Confident | 88 Ų | 88 | 108.9 Ų | 108.9 | 46% | 0.461 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -68.7 | 138.4 | 175.5 | -64.1 | 174.9 | 0 | 0 | 0 | 111.6 | L109 K110 R116 | L109-L112 HydrophobicContact CD2-CD1 3.96Å; L109-L112 PolarHBondContact O-N 2.92Å; K110-L112 VanDerWaalsContact C-N 3.35Å; L112-R116 HydrophobicContact CB-CG 4.45Å; L112-R116 PolarHBondContact O-NH1 3.17Å; L112-R116 VanDerWaalsContact O-NH1 3.08Å |
| 113 | K | 86.9 | Confident | 78.3 | Confident | 194 Ų | 194 | 112.6 Ų | 112.6 | 84% | 0.843 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.4 | 172.1 | -170.4 | 177.3 | 179.1 | -179 | 0 | 109.6 | P115 | K113-P115 CarbonylContact O-C 3.46Š|
| 114 | Y | 84.2 | Confident | 76 | Confident | 170 Ų | 170 | 115.2 Ų | 115.2 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -58.1 | 139.6 | 171.5 | -77.5 | -81.6 | 0 | 0 | 0 | 110.8 | R116 | Y114-R116 HydrophobicContact CD1-CG 4.11Å; Y114-R116 HydrophobicContact CE1-CG 4.23Å; Y114-R116 VanDerWaalsContact CZ-CZ 3.48Å; Y114-R116 PolarHBondContact OH-NE 2.8Å; Y114-R116 PolarHBondContact OH-NH2 3.05Å |
| 115 | P | 85.9 | Confident | 74.2 | Confident | 108 Ų | 108 | 112.3 Ų | 112.3 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | cis | -77.8 | 133.7 | -1.1 | 30.1 | -32.3 | 0 | 0 | 0 | 113 | K113 V117 | K113-P115 CarbonylContact O-C 3.46Å; P115-V117 PolarHBondContact O-N 3.35Å |
| 116 | R | 75 | Confident | 72 | Confident | 82 Ų | 82 | 111.2 Ų | 111.2 | 31% | 0.309 | 64% | 0.641 | S | S | . | * | trans | -76.6 | 0.4 | -175.5 | -57.2 | 177.1 | -159.6 | -86 | 5.7 | 114.4 | L109 K110 L112 Y114 | L109-R116 WeakPolarHBondContact O-CD 3.47Å; L109-R116 PolarHBondContact O-NH1 3.44Å; K110-R116 VanDerWaalsContact CA-NH1 3.3Å; K110-R116 PolarHBondContact O-NH1 3.19Å; L112-R116 HydrophobicContact CB-CG 4.45Å; L112-R116 PolarHBondContact O-NH1 3.17Å; L112-R116 VanDerWaalsContact O-NH1 3.08Å; Y114-R116 HydrophobicContact CD1-CG 4.11Å; Y114-R116 HydrophobicContact CE1-CG 4.23Å; Y114-R116 VanDerWaalsContact CZ-CZ 3.48Å; Y114-R116 PolarHBondContact OH-NE 2.8Å; Y114-R116 PolarHBondContact OH-NH2 3.05Å | ||
| 117 | V | 73.7 | Confident | 70.1 | Confident | 120 Ų | 120 | 117.6 Ų | 117.6 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -129.9 | 120.1 | 176.2 | -162.4 | 0 | 0 | 0 | 0 | 106.7 | P115 | P115-V117 PolarHBondContact O-N 3.35Š|
| 118 | T | 69.2 | Low | 68.2 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | trans | -74.9 | 129.8 | 169.2 | 50.8 | 0 | 0 | 0 | 0 | 107.6 | N120 | T118-N120 PolarHBondContact O-N 3.36Š| ||
| 119 | S | 62.1 | Low | 66.1 | Low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | trans | -70.2 | 69.8 | 175.7 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 120 | N | 56.1 | Low | 64.3 | Low | 146 Ų | 146 | 127.9 Ų | 127.9 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | trans | -114.4 | 54.4 | 174.4 | -84.4 | 49.2 | 0 | 0 | 0 | 109.9 | T118 | T118-N120 PolarHBondContact O-N 3.36Š| ||
| 121 | S | 53.4 | Low | 62.5 | Low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -157.8 | 132.1 | 154.4 | 59.2 | 0 | 0 | 0 | 0 | 107.3 | I123 | S121-I123 VanDerWaalsContact C-N 3.3Å; S121-I123 PolarHBondContact O-N 3.39Å |
| 122 | G | 51.6 | Low | 60.1 | Low | 84 Ų | 84 | 132.5 Ų | 132.5 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | trans | -72.5 | 62.8 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 123 | I | 57.7 | Low | 58.3 | Low | 141 Ų | 141 | 133.5 Ų | 133.5 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | -108.9 | 85.9 | 167.8 | -53.5 | 178.7 | 0 | 0 | 0 | 108.3 | S121 V125 | S121-I123 VanDerWaalsContact C-N 3.3Å; S121-I123 PolarHBondContact O-N 3.39Å; I123-V125 VanDerWaalsContact C-N 3.33Å; I123-V125 HydrophobicContact CG2-CG2 3.96Å; I123-V125 PolarHBondContact O-N 3Å | ||
| 124 | S | 44.3 | Very low | 55.9 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -68.6 | 85.4 | 171.8 | 30.7 | 0 | 0 | 0 | 0 | 110.4 | S126 | S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.3Å; S124-S126 VanDerWaalsContact O-N 3.16Å | ||
| 125 | V | 55.9 | Low | 54.3 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | trans | -81.6 | 85.8 | 163.1 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | I123 R127 | I123-V125 VanDerWaalsContact C-N 3.33Å; I123-V125 HydrophobicContact CG2-CG2 3.96Å; I123-V125 PolarHBondContact O-N 3Å; V125-R127 VanDerWaalsContact C-N 3.3Å; V125-R127 PolarHBondContact O-N 3.22Å | ||
| 126 | S | 45.4 | Very low | 52.8 | Low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -68.9 | 87.1 | 170.1 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | S124 S128 | S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.3Å; S124-S126 VanDerWaalsContact O-N 3.16Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 2.96Å; S126-S128 VanDerWaalsContact O-N 3.08Å | ||
| 127 | R | 50.6 | Low | 51.5 | Low | 228 Ų | 228 | 134.5 Ų | 134.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -81 | 84.3 | 171.4 | -161.2 | 174 | -80.4 | -179.2 | -4.7 | 108.5 | V125 | V125-R127 VanDerWaalsContact C-N 3.3Å; V125-R127 PolarHBondContact O-N 3.22Å | ||
| 128 | S | 48.4 | Very low | 50 | Low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -74.8 | 135.7 | 172.8 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | S126 R130 | S126-S128 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 2.96Å; S126-S128 VanDerWaalsContact O-N 3.08Å; S128-R130 PolarHBondContact O-N 2.76Å | ||
| 129 | P | 44.7 | Very low | 49.2 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -76.2 | 117.8 | 178 | 19.2 | -9.6 | 0 | 0 | 0 | 109.6 | ||||
| 130 | R | 48.1 | Very low | 48.5 | Very low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -89.7 | 110.9 | 173.3 | -70 | -174.8 | 173.8 | -132.6 | -1.2 | 109.1 | S128 | S128-R130 PolarHBondContact O-N 2.76Š| ||
| 131 | T | 47.5 | Very low | 48.3 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -68.3 | 142.1 | 166.3 | 42.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | D | 36.8 | Very low | 47.9 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -61.6 | 131.1 | 175.7 | -106.7 | -41.1 | 0 | 0 | 0 | 112.4 | ||||
| 133 | S | 46.8 | Very low | 48.3 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -176.4 | 104.5 | 147.2 | 29.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 134 | C | 37.6 | Very low | 47.4 | Very low | 117 Ų | 117 | 159.4 Ų | 159.4 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | 44.8 | 122.6 | 128.4 | -151.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 135 | S | 48.6 | Very low | 47.7 | Very low | 92 Ų | 92 | 159.3 Ų | 159.3 | 64% | 0.643 | 81% | 0.814 | S | S | * | * | trans | 92.4 | 108 | 138.8 | -77.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 136 | Q | 56.3 | Low | 47.7 | Very low | 173 Ų | 173 | 159.9 Ų | 159.9 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | 103.6 | 123.1 | 130.2 | -66.4 | 177.4 | 13.2 | 0 | 0 | 121.3 | ||||
| 137 | K | 46 | Very low | 47.6 | Very low | 194 Ų | 194 | 160.9 Ų | 160.9 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | 82.2 | 94.1 | 147.7 | -86.3 | 175.6 | 171.9 | 176.5 | 0 | 120.9 | ||||
| 138 | R | 43.2 | Very low | 47.7 | Very low | 239 Ų | 239 | 154.8 Ų | 154.8 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | 8.7 | 124.7 | 128.3 | -74.7 | 175.4 | 142.4 | 162.3 | -5.9 | 116.9 | |||||
| 139 | T | 51.8 | Low | 47.3 | Very low | 149 Ų | 149 | 156.7 Ų | 156.7 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | -168 | 134.3 | 119.4 | 45.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 140 | R | 47 | Very low | 47.2 | Very low | 241 Ų | 241 | 156.5 Ų | 156.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -86.8 | 147.2 | 178.5 | -64.4 | 168.7 | 84.4 | 150.6 | 1.9 | 111.4 | ||||
| 141 | K | 53 | Low | 46.8 | Very low | 203 Ų | 203 | 150 Ų | 150 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -167.4 | 110.5 | 151.7 | -95.3 | 141.4 | -177.8 | -176.6 | 0 | 106.4 | ||||
| 142 | S | 44.6 | Very low | 46.5 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | 53.5 | 118.3 | 89.5 | -151.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 143 | L | 59.4 | Low | 46.8 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | -168.4 | 154.3 | 71.8 | -77.1 | 159.3 | 0 | 0 | 0 | 111.2 | |||||
| 144 | R | 39.8 | Very low | 46.6 | Very low | 245 Ų | 245 | 146.7 Ų | 146.7 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -84.7 | 149.6 | 168.2 | -71.3 | 174.3 | 168.7 | 176 | -5.1 | 111.2 | ||||
| 145 | S | 51.1 | Low | 47.1 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -167.8 | 115.5 | 151.2 | 57 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 146 | V | 54.2 | Low | 46.9 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | 48.2 | 125.4 | 55 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 147 | D | 43.9 | Very low | 46.7 | Very low | 134 Ų | 134 | 146 Ų | 146 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | cis | -169.4 | 172 | -5.7 | -103.6 | -17.7 | 0 | 0 | 0 | 106.4 | ||||
| 148 | S | 52.2 | Low | 46.8 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 73.5 | 140.1 | 150.1 | -58.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 149 | N | 41.4 | Very low | 47 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -178.2 | 162.5 | 11.2 | -124.2 | -7.8 | 0 | 0 | 0 | 108.6 | ||||
| 150 | T | 42.4 | Very low | 47 | Very low | 111 Ų | 111 | 135 Ų | 135 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | 74.4 | 134.1 | 137.6 | -61.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 151 | T | 39.2 | Very low | 46.8 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | cis | -168.7 | 168.6 | 13.9 | 1.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 152 | L | 42 | Very low | 46.3 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | 166.7 | 139.9 | 65.2 | -121.3 | 136.1 | 0 | 0 | 0 | 107.3 | |||||
| 153 | A | 42 | Very low | 46.1 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 60.7 | 145.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 154 | S | 43.3 | Very low | 45.8 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | cis | -171.3 | 140.1 | 9.9 | 34.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 155 | S | 47.4 | Very low | 46 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 54 | 120.5 | 132.8 | -39.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 156 | T | 45.6 | Very low | 45.9 | Very low | 120 Ų | 120 | 118 Ų | 118 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | 162.8 | 123.4 | 97 | 39.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 157 | N | 52.5 | Low | 45.5 | Very low | 146 Ų | 146 | 118.8 Ų | 118.8 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | 71.4 | 101.2 | 134.1 | -54.2 | -16.6 | 0 | 0 | 0 | 124.1 | ||||
| 158 | S | 48.1 | Very low | 45.9 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | 20.7 | 170.8 | 117.8 | -45.2 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 159 | P | 47 | Very low | 45.8 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | cis | -137.2 | -173.9 | -34.6 | 29.2 | -5.9 | 0 | 0 | 0 | 113.6 | ||||
| 160 | V | 50.7 | Low | 46.4 | Very low | 124 Ų | 124 | 126 Ų | 126 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 146.4 | 107.8 | 130.7 | 170.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 161 | T | 43.3 | Very low | 47.3 | Very low | 130 Ų | 130 | 128 Ų | 128 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | 61 | 112.5 | 128.6 | -43.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 162 | T | 43.5 | Very low | 48.1 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -80.1 | 126.9 | 167.5 | -57 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 163 | T | 40 | Very low | 48 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 50.6 | 117.9 | 134.9 | -40.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 164 | V | 52.3 | Low | 48.6 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -134.1 | 111.2 | 151 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 165 | S | 43.8 | Very low | 48.9 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | trans | 47.2 | 135.9 | 134.5 | -37.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 166 | S | 48.3 | Very low | 49 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 106.9 | 97.2 | 133.8 | 71.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 167 | V | 46.1 | Very low | 49.2 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | 15.8 | 122.1 | 132.4 | -83 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 168 | T | 53.1 | Low | 49 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | -134.3 | 116.3 | 147.3 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 169 | S | 49.9 | Very low | 49 | Very low | 124 Ų | 124 | 154.6 Ų | 154.6 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -71.7 | 135.2 | 164.5 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 170 | R | 53.8 | Low | 49.2 | Very low | 255 Ų | 255 | 157.3 Ų | 157.3 | 96% | 0.962 | 82% | 0.821 | S | S | * | * | trans | -114.4 | 105.7 | 173.9 | -144.2 | 175.7 | -172.6 | -177.8 | 2 | 109.5 | ||||
| 171 | E | 60.5 | Low | 49.1 | Very low | 152 Ų | 152 | 159.7 Ų | 159.7 | 71% | 0.71 | 83% | 0.826 | S | S | * | * | trans | -95.4 | 124.4 | 178 | 174.7 | 68.2 | -174.6 | 0 | 0 | 109.4 | ||||
| 172 | K | 57.8 | Low | 49.5 | Very low | 157 Ų | 157 | 162 Ų | 162 | 68% | 0.683 | 83% | 0.828 | S | S | * | * | trans | 63.7 | 116.9 | 134.5 | -155 | 158 | 177.2 | 178.8 | 0 | 122.3 | ||||
| 173 | R | 38 | Very low | 50 | Low | 232 Ų | 232 | 165.3 Ų | 165.3 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | trans | 29.1 | 113.4 | 130.1 | -72.3 | 176.3 | 159 | 153.3 | -5.8 | 117.9 | ||||
| 174 | R | 56.6 | Low | 50.9 | Low | 324 Ų | 324 | 169.3 Ų | 169.3 | 100% | 1.223 | 84% | 0.842 | S | S | * | * | -150.3 | 0 | 121 | -115.7 | -177.7 | 178.8 | -160.9 | -0.3 | 109.5 |
Retrieved 174 of 174 residues in 42.6 ms
(Link to these results)