| 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 | 65.2 | Low | 89.9 | Confident | 244 Ų | 244 | 142.7 Ų | 142.7 | 100% | 1.202 | 80% | 0.797 | S | S | * | * | 0 | 135.3 | 0 | -69.1 | -172.9 | -127.7 | 0 | 0 | 108.1 | |||||
| 2 | T | 79.6 | Confident | 90.3 | Very high | 131 Ų | 131 | 139.8 Ų | 139.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 142.6 | 178.8 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | A4 | T2-A4 VanDerWaalsContact C-N 3.28Å; T2-A4 PolarHBondContact O-N 2.92Å | ||
| 3 | T | 87.1 | Confident | 90.5 | Very high | 132 Ų | 132 | 145.5 Ų | 145.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -88.5 | 10 | -176.3 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 4 | A | 90.3 | Very high | 90.7 | Very high | 83 Ų | 83 | 139.6 Ų | 139.6 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | -73.5 | -35 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T2 R6 | T2-A4 VanDerWaalsContact C-N 3.28Å; T2-A4 PolarHBondContact O-N 2.92Å; A4-R6 PolarHBondContact O-N 3.18Å | ||
| 5 | A | 93.8 | Very high | 90.5 | Very high | 102 Ų | 102 | 133.3 Ų | 133.3 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -80.4 | 103.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | R | 93.3 | Very high | 90.2 | Very high | 212 Ų | 212 | 140.3 Ų | 140.3 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -132.2 | 144.5 | -179.6 | 52.2 | 176.6 | 164.1 | 160.9 | -4.1 | 111.3 | A4 | A4-R6 PolarHBondContact O-N 3.18Š| ||
| 7 | P | 95.1 | Very high | 89.8 | Confident | 89 Ų | 89 | 134.4 Ų | 134.4 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | trans | -69.8 | 157 | 173.2 | 30.8 | -35.6 | 0 | 0 | 0 | 111.3 | F9 | P7-F9 HydrophobicContact CB-CZ 4.42Å; P7-F9 HydrophobicContact CG-CD2 4.46Å; P7-F9 HydrophobicContact CG-CE1 4.1Å; P7-F9 HydrophobicContact CG-CE2 3.66Å; P7-F9 HydrophobicContact CG-CZ 3.44Å; P7-F9 VanDerWaalsContact CG-CZ 3.44Å | ||
| 8 | T | 95.4 | Very high | 89.3 | Confident | 132 Ų | 132 | 134.7 Ų | 134.7 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -88.1 | 112.1 | 171.1 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 9 | F | 95.4 | Very high | 88.9 | Confident | 180 Ų | 180 | 131 Ų | 131 | 79% | 0.789 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.2 | -28.3 | 175.8 | -64.3 | -70.9 | 0 | 0 | 0 | 112.8 | P7 | P7-F9 HydrophobicContact CB-CZ 4.42Å; P7-F9 HydrophobicContact CG-CD2 4.46Å; P7-F9 HydrophobicContact CG-CE1 4.1Å; P7-F9 HydrophobicContact CG-CE2 3.66Å; P7-F9 HydrophobicContact CG-CZ 3.44Å; P7-F9 VanDerWaalsContact CG-CZ 3.44Å |
| 10 | E | 96.4 | Very high | 88.8 | Confident | 152 Ų | 152 | 128.6 Ų | 128.6 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -123 | 127.3 | 175.6 | -64.6 | -174.9 | -165.8 | 0 | 0 | 109.6 | ||
| 11 | P | 96.8 | Very high | 88.3 | Confident | 113 Ų | 113 | 126.7 Ų | 126.7 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 156.8 | 175.5 | 31.7 | -34.4 | 0 | 0 | 0 | 111.2 | R13 | P11-R13 PolarHBondContact O-N 3.22Š|
| 12 | A | 95 | Very high | 88.6 | Confident | 107 Ų | 107 | 120.4 Ų | 120.4 | 88% | 0.884 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 13 | R | 93.7 | Very high | 87.8 | Confident | 214 Ų | 214 | 120.4 Ų | 120.4 | 81% | 0.808 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 138 | 175.9 | -69.2 | -179.7 | 167.2 | 101.3 | -2.8 | 110.3 | P11 | P11-R13 PolarHBondContact O-N 3.22Š|
| 14 | G | 92.4 | Very high | 86 | Confident | 63 Ų | 63 | 118.7 Ų | 118.7 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -70.8 | 171.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 15 | G | 88 | Confident | 84.7 | Confident | 46 Ų | 46 | 123.3 Ų | 123.3 | 47% | 0.474 | 70% | 0.704 | S | S | . | * | S | Bend | trans | 106.5 | 6.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E20 | G15-E20 VanDerWaalsContact CA-OE2 3.27Å; G15-E20 WeakPolarHBondContact CA-OE2 3.41Å; G15-E20 PolarHBondContact N-OE1 2.73Å; G15-E20 PolarHBondContact N-OE2 3.2Å |
| 16 | R | 85.4 | Confident | 83.6 | Confident | 245 Ų | 245 | 124.8 Ų | 124.8 | 93% | 0.925 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -130.4 | 1.3 | -178.9 | -62.8 | -168.3 | -179.4 | -164.1 | 0.9 | 113.7 | E20 | R16-E20 PolarHBondContact N-OE2 2.91Š|
| 17 | G | 83.6 | Confident | 83.1 | Confident | 40 Ų | 40 | 117.4 Ų | 117.4 | 41% | 0.412 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -97.2 | -174.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G19 E20 | G17-G19 PolarHBondContact O-N 3.19Å; G17-E20 PolarHBondContact N-OE2 3.02Å; G17-E20 PolarHBondContact O-N 3.42Å; G17-E20 VanDerWaalsContact O-N 3.08Å |
| 18 | K | 81.4 | Confident | 82.7 | Confident | 139 Ų | 139 | 122.8 Ų | 122.8 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 123 | 175.9 | -176.2 | -167.8 | 179.1 | -161.5 | 0 | 110.2 | E20 Q29 D34 | K18-E20 VanDerWaalsContact C-N 3.35Å; K18-Q29 VanDerWaalsContact CE-O 3.25Å; K18-Q29 WeakPolarHBondContact CE-O 3.34Å; K18-Q29 PolarHBondContact NZ-O 3.38Å; K18-D34 IonicContact NZ-OD2 3.9Å |
| 19 | G | 81.9 | Confident | 82.5 | Confident | 65 Ų | 65 | 123.7 Ų | 123.7 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.2 | 7.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G17 | G17-G19 PolarHBondContact O-N 3.19Š|
| 20 | E | 85.8 | Confident | 82.3 | Confident | 83 Ų | 83 | 123.4 Ų | 123.4 | 39% | 0.388 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -115.6 | 137.9 | 177.5 | -56.6 | 179.8 | 139.2 | 0 | 0 | 110.9 | G15 R16 G17 K18 D22 | G15-E20 VanDerWaalsContact CA-OE2 3.27Å; G15-E20 WeakPolarHBondContact CA-OE2 3.41Å; G15-E20 PolarHBondContact N-OE1 2.73Å; G15-E20 PolarHBondContact N-OE2 3.2Å; R16-E20 PolarHBondContact N-OE2 2.91Å; G17-E20 PolarHBondContact N-OE2 3.02Å; G17-E20 PolarHBondContact O-N 3.42Å; G17-E20 VanDerWaalsContact O-N 3.08Å; K18-E20 VanDerWaalsContact C-N 3.35Å; E20-D22 PolarHBondContact O-N 3.42Å |
| 21 | G | 79 | Confident | 82.2 | Confident | 88 Ų | 88 | 118.7 Ų | 118.7 | 91% | 0.907 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 78.7 | -80.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 22 | D | 70.8 | Confident | 82.2 | Confident | 112 Ų | 112 | 118.2 Ų | 118.2 | 60% | 0.599 | 67% | 0.665 | S | S | * | * | trans | -120.4 | 110.6 | -175.2 | -170.9 | 11.9 | 0 | 0 | 0 | 110.8 | E20 S24 | E20-D22 PolarHBondContact O-N 3.42Å; D22-S24 PolarHBondContact O-N 3.31Å; D22-S24 WeakPolarHBondContact OD1-CB 3.02Å; D22-S24 PolarHBondContact OD1-N 3.42Å; D22-S24 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 23 | L | 62.2 | Low | 82.2 | Confident | 131 Ų | 131 | 123.7 Ų | 123.7 | 69% | 0.686 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -7 | 171.2 | -83.1 | 147.5 | 0 | 0 | 0 | 111.8 | Q25 L26 | L23-Q25 PolarHBondContact O-N 3.36Å; L23-L26 HydrophobicContact CB-CD1 4.24Å; L23-L26 HydrophobicContact CD2-CD1 3.91Å; L23-L26 WeakPolarHBondContact O-CB 2.95Å; L23-L26 WeakPolarHBondContact O-CD1 3.48Å; L23-L26 PolarHBondContact O-N 3.33Å |
| 24 | S | 50.4 | Low | 82.2 | Confident | 96 Ų | 96 | 118.2 Ų | 118.2 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -10.1 | -170.6 | -165.1 | 0 | 0 | 0 | 0 | 116 | D22 L26 | D22-S24 PolarHBondContact O-N 3.31Å; D22-S24 WeakPolarHBondContact OD1-CB 3.02Å; D22-S24 PolarHBondContact OD1-N 3.42Å; D22-S24 WeakPolarHBondContact OD2-CB 3.27Å; S24-L26 VanDerWaalsContact C-N 3.27Å; S24-L26 PolarHBondContact O-N 3.14Å |
| 25 | Q | 63.1 | Low | 82.4 | Confident | 181 Ų | 181 | 119.5 Ų | 119.5 | 85% | 0.846 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -95.9 | 57.2 | 162.1 | -66.5 | -172.4 | 0.2 | 0 | 0 | 109.8 | L23 S27 | L23-Q25 PolarHBondContact O-N 3.36Å; Q25-S27 PolarHBondContact O-N 2.99Å |
| 26 | L | 70.7 | Confident | 82.9 | Confident | 133 Ų | 133 | 123 Ų | 123 | 70% | 0.696 | 66% | 0.656 | S | S | * | * | trans | -63.4 | 93.2 | -170.5 | -146.7 | 79 | 0 | 0 | 0 | 110.5 | L23 S24 K28 | L23-L26 HydrophobicContact CB-CD1 4.24Å; L23-L26 HydrophobicContact CD2-CD1 3.91Å; L23-L26 WeakPolarHBondContact O-CB 2.95Å; L23-L26 WeakPolarHBondContact O-CD1 3.48Å; L23-L26 PolarHBondContact O-N 3.33Å; S24-L26 VanDerWaalsContact C-N 3.27Å; S24-L26 PolarHBondContact O-N 3.14Å; L26-K28 PolarHBondContact O-N 3.36Å | ||
| 27 | S | 82.1 | Confident | 83.4 | Confident | 57 Ų | 57 | 115.5 Ų | 115.5 | 40% | 0.399 | 64% | 0.641 | S | S | . | * | trans | -63 | 133.8 | 177.4 | 177.9 | 0 | 0 | 0 | 0 | 110 | Q25 Q29 | Q25-S27 PolarHBondContact O-N 2.99Å; S27-Q29 PolarHBondContact O-N 3.48Å; S27-Q29 WeakPolarHBondContact OG-CB 3.44Å; S27-Q29 PolarHBondContact OG-N 3.41Å | ||
| 28 | K | 88.1 | Confident | 84.1 | Confident | 202 Ų | 202 | 122.1 Ų | 122.1 | 88% | 0.878 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -75.5 | -4.8 | 173.8 | -63.5 | -176 | 179.9 | -179.3 | 0 | 113 | L26 | L26-K28 PolarHBondContact O-N 3.36Š|
| 29 | Q | 89.6 | Confident | 84.9 | Confident | 150 Ų | 150 | 121.5 Ų | 121.5 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | trans | -77.6 | 128.2 | 179.6 | -61.5 | 173.6 | -17.5 | 0 | 0 | 109.7 | K18 S27 | K18-Q29 VanDerWaalsContact CE-O 3.25Å; K18-Q29 WeakPolarHBondContact CE-O 3.34Å; K18-Q29 PolarHBondContact NZ-O 3.38Å; S27-Q29 PolarHBondContact O-N 3.48Å; S27-Q29 WeakPolarHBondContact OG-CB 3.44Å; S27-Q29 PolarHBondContact OG-N 3.41Å | ||
| 30 | Y | 91.4 | Very high | 85.6 | Confident | 175 Ų | 175 | 126.9 Ų | 126.9 | 69% | 0.686 | 67% | 0.673 | S | S | * | * | trans | -132.8 | 148.5 | 171.1 | 60.7 | -89.7 | 0 | 0 | 0 | 109.7 | L35 | Y30-L35 HydrophobicContact CD2-CD1 3.66Å; Y30-L35 HydrophobicContact CE2-CD1 3.63Å | ||
| 31 | S | 93.8 | Very high | 86.2 | Confident | 53 Ų | 53 | 128.8 Ų | 128.8 | 37% | 0.371 | 69% | 0.685 | S | S | . | * | trans | -82.3 | 158.5 | 175.3 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | R33 D34 L35 | S31-R33 PolarHBondContact O-N 3.35Å; S31-R33 VanDerWaalsContact O-N 3.13Å; S31-R33 PolarHBondContact OG-N 3.2Å; S31-D34 WeakPolarHBondContact CB-OD2 3.41Å; S31-D34 PolarHBondContact N-OD2 3.21Å; S31-D34 WeakPolarHBondContact O-CB 3.08Å; S31-D34 PolarHBondContact O-N 3.15Å; S31-L35 VanDerWaalsContact O-CD1 3.32Å; S31-L35 WeakPolarHBondContact O-CD1 3.47Å | ||
| 32 | S | 96.9 | Very high | 87.1 | Confident | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -57.4 | -24.3 | 168.2 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 33 | R | 96.4 | Very high | 88.3 | Confident | 222 Ų | 222 | 136.9 Ų | 136.9 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -80.9 | -16 | 176.7 | -62.1 | 165.2 | 74.2 | 104 | -3.6 | 113.6 | S31 L35 | S31-R33 PolarHBondContact O-N 3.35Å; S31-R33 VanDerWaalsContact O-N 3.13Å; S31-R33 PolarHBondContact OG-N 3.2Å; R33-L35 VanDerWaalsContact C-N 3.32Å |
| 34 | D | 94.2 | Very high | 90 | Very high | 99 Ų | 99 | 138.6 Ų | 138.6 | 53% | 0.529 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -88.4 | -3.2 | 178.1 | -58 | -27.5 | 0 | 0 | 0 | 111.7 | K18 S31 | K18-D34 IonicContact NZ-OD2 3.9Å; S31-D34 WeakPolarHBondContact CB-OD2 3.41Å; S31-D34 PolarHBondContact N-OD2 3.21Å; S31-D34 WeakPolarHBondContact O-CB 3.08Å; S31-D34 PolarHBondContact O-N 3.15Å |
| 35 | L | 95.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 139.6 Ų | 139.6 | 47% | 0.471 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -64.7 | 150.3 | 175.2 | -87.8 | 66.1 | 0 | 0 | 0 | 110.4 | Y30 S31 R33 S37 | Y30-L35 HydrophobicContact CD2-CD1 3.66Å; Y30-L35 HydrophobicContact CE2-CD1 3.63Å; S31-L35 VanDerWaalsContact O-CD1 3.32Å; S31-L35 WeakPolarHBondContact O-CD1 3.47Å; R33-L35 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.47Å |
| 36 | P | 97.8 | Very high | 93.5 | Very high | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -53.7 | 113.9 | 179.4 | -27.4 | 35.6 | 0 | 0 | 0 | 112.6 | T39 | P36-T39 HydrophobicContact CB-CG2 4.07Š|
| 37 | S | 97.5 | Very high | 94.6 | Very high | 86 Ų | 86 | 133.4 Ų | 133.4 | 60% | 0.601 | 66% | 0.664 | S | S | * | * | trans | -144.2 | 145.5 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | L35 T39 | L35-S37 PolarHBondContact O-N 3.47Å; S37-T39 VanDerWaalsContact C-N 3.32Å; S37-T39 PolarHBondContact O-N 2.81Å | ||
| 38 | H | 97.2 | Very high | 95.2 | Very high | 179 Ų | 179 | 135.7 Ų | 135.7 | 83% | 0.829 | 67% | 0.668 | S | S | * | * | trans | 50.1 | 47.5 | -175.7 | -62.4 | -74.3 | 0 | 0 | 0 | 114 | K40 | H38-K40 PolarHBondContact O-N 3.08Å; H38-K40 VanDerWaalsContact O-N 3.07Å | ||
| 39 | T | 97.6 | Very high | 95.5 | Very high | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 65% | 0.647 | S | S | * | * | trans | -70.1 | -1.8 | -178.6 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | P36 S37 | P36-T39 HydrophobicContact CB-CG2 4.07Å; S37-T39 VanDerWaalsContact C-N 3.32Å; S37-T39 PolarHBondContact O-N 2.81Å | ||
| 40 | K | 97.8 | Very high | 95.8 | Very high | 178 Ų | 178 | 123.4 Ų | 123.4 | 77% | 0.774 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -126.7 | 116.4 | 179.4 | -173.9 | -179.7 | -66.7 | -179 | 0 | 110.2 | H38 | H38-K40 PolarHBondContact O-N 3.08Å; H38-K40 VanDerWaalsContact O-N 3.07Å |
| 41 | I | 97.7 | Very high | 95.9 | Very high | 124 Ų | 124 | 119.5 Ų | 119.5 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | trans | -73.2 | 136.1 | 174 | -61.3 | 175.8 | 0 | 0 | 0 | 109.1 | ||||
| 42 | K | 97.8 | Very high | 95.9 | Very high | 199 Ų | 199 | 122.9 Ų | 122.9 | 87% | 0.865 | 63% | 0.625 | S | S | * | * | trans | -90.2 | 133.3 | 174 | -64.6 | -179.7 | 179.1 | -179.7 | 0 | 109.3 | ||||
| 43 | Y | 96.9 | Very high | 95.7 | Very high | 171 Ų | 171 | 121.7 Ų | 121.7 | 67% | 0.671 | 61% | 0.608 | S | S | * | * | trans | -104.2 | 143.9 | 173.7 | -62.9 | -83.4 | 0 | 0 | 0 | 110.2 | Q45 | Y43-Q45 PolarHBondContact O-N 3.29Å; Y43-Q45 PolarHBondContact O-NE2 3.41Å | ||
| 44 | R | 96.8 | Very high | 95.6 | Very high | 167 Ų | 167 | 113.6 Ų | 113.6 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | trans | -62.1 | 125.8 | 172.5 | -66.7 | 179.5 | -178.8 | -83.8 | -0.7 | 108.9 | Q48 D49 | R44-Q48 HydrophobicContact CB-CB 4.39Å; R44-Q48 WeakPolarHBondContact CD-O 3.19Å; R44-Q48 PolarHBondContact NH1-O 3.5Å; R44-Q48 VanDerWaalsContact NH1-O 3.08Å; R44-D49 WeakPolarHBondContact CD-O 3.29Å | ||
| 45 | Q | 95.8 | Very high | 95.6 | Very high | 117 Ų | 117 | 118.5 Ų | 118.5 | 55% | 0.547 | 59% | 0.594 | S | S | . | * | trans | -80.6 | 168 | 171.4 | -55.8 | -54.1 | -63.1 | 0 | 0 | 109.5 | Y43 T47 Q48 | Y43-Q45 PolarHBondContact O-N 3.29Å; Y43-Q45 PolarHBondContact O-NE2 3.41Å; Q45-T47 VanDerWaalsContact C-N 3.3Å; Q45-T47 PolarHBondContact O-N 2.79Å; Q45-Q48 PolarHBondContact O-N 3.47Å | ||
| 46 | A | 92.8 | Very high | 95.5 | Very high | 54 Ų | 54 | 120.7 Ų | 120.7 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -41.2 | -56.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q48 E53 | A46-Q48 PolarHBondContact O-N 3.11Å; A46-E53 WeakPolarHBondContact CA-OE1 3.32Å; A46-E53 VanDerWaalsContact CB-OE1 3.32Å; A46-E53 WeakPolarHBondContact CB-OE1 3.41Å |
| 47 | T | 93.8 | Very high | 95.3 | Very high | 130 Ų | 130 | 118.2 Ų | 118.2 | 80% | 0.798 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -72.6 | 4.2 | -177.9 | 61.7 | 0 | 0 | 0 | 0 | 116.6 | Q45 | Q45-T47 VanDerWaalsContact C-N 3.3Å; Q45-T47 PolarHBondContact O-N 2.79Å |
| 48 | Q | 94.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 118.3 Ų | 118.3 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -119.3 | 30.3 | -174.7 | -61.8 | -176.5 | -19.8 | 0 | 0 | 112.9 | R44 Q45 A46 | R44-Q48 HydrophobicContact CB-CB 4.39Å; R44-Q48 WeakPolarHBondContact CD-O 3.19Å; R44-Q48 PolarHBondContact NH1-O 3.5Å; R44-Q48 VanDerWaalsContact NH1-O 3.08Å; Q45-Q48 PolarHBondContact O-N 3.47Å; A46-Q48 PolarHBondContact O-N 3.11Å |
| 49 | D | 94.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 114.6 Ų | 114.6 | 43% | 0.428 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.6 | 57 | -170.9 | -63.1 | -57 | 0 | 0 | 0 | 112.3 | R44 V54 R57 | R44-D49 WeakPolarHBondContact CD-O 3.29Å; D49-V54 HydrophobicContact CB-CG2 3.76Å; D49-R57 IonicContact OD1-CZ 2.75Å; D49-R57 IonicContact OD1-NH1 2.66Å; D49-R57 PolarHBondContact OD1-NH1 3.43Å; D49-R57 IonicContact OD1-NH2 3.87Å; D49-R57 PolarHBondContact OD1-NH2 2.99Å |
| 50 | A | 95.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 118.1 Ų | 118.1 | 11% | 0.107 | 56% | 0.556 | C | S | . | * | trans | -58.5 | 143.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110 | E52 E53 V54 | A50-E52 PolarHBondContact O-N 3.15Å; A50-E52 VanDerWaalsContact O-N 3.15Å; A50-E53 PolarHBondContact O-N 3.17Å; A50-V54 WeakPolarHBondContact O-CG2 3.26Å; A50-V54 PolarHBondContact O-N 3.36Å; A50-V54 VanDerWaalsContact O-N 3.15Å | ||
| 51 | P | 94.7 | Very high | 95.2 | Very high | 93 Ų | 93 | 117.5 Ų | 117.5 | 60% | 0.604 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.7 | -32.1 | -173.4 | 23.9 | -34.5 | 0 | 0 | 0 | 113.1 | V54 R55 | P51-V54 PolarHBondContact O-N 3.47Å; P51-R55 WeakPolarHBondContact O-CB 3.33Å; P51-R55 PolarHBondContact O-N 3.29Å |
| 52 | E | 92.6 | Very high | 95.1 | Very high | 125 Ų | 125 | 115.7 Ų | 115.7 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | 177.2 | -59 | -55 | 150.2 | 0 | 0 | 112.6 | A50 N56 | A50-E52 PolarHBondContact O-N 3.15Å; A50-E52 VanDerWaalsContact O-N 3.15Å; E52-N56 PolarHBondContact O-ND2 3.03Å |
| 53 | E | 92.4 | Very high | 95.1 | Very high | 77 Ų | 77 | 110.7 Ų | 110.7 | 36% | 0.36 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.2 | -41.7 | 177.6 | -63.6 | -171 | -176 | 0 | 0 | 111.6 | A46 A50 R55 N56 R57 | A46-E53 WeakPolarHBondContact CA-OE1 3.32Å; A46-E53 VanDerWaalsContact CB-OE1 3.32Å; A46-E53 WeakPolarHBondContact CB-OE1 3.41Å; A50-E53 PolarHBondContact O-N 3.17Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 3.22Å; E53-N56 PolarHBondContact O-N 2.69Å; E53-R57 PolarHBondContact O-N 3.33Å; E53-R57 IonicContact OE2-NH2 3.66Å |
| 54 | V | 94.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 108.8 Ų | 108.8 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | D49 A50 P51 N56 R57 F59 | D49-V54 HydrophobicContact CB-CG2 3.76Å; A50-V54 WeakPolarHBondContact O-CG2 3.26Å; A50-V54 PolarHBondContact O-N 3.36Å; A50-V54 VanDerWaalsContact O-N 3.15Å; P51-V54 PolarHBondContact O-N 3.47Å; V54-N56 VanDerWaalsContact C-N 3.29Å; V54-N56 PolarHBondContact O-N 2.92Å; V54-R57 PolarHBondContact O-N 3.16Å; V54-F59 HydrophobicContact CB-CZ 4.42Å; V54-F59 HydrophobicContact CG1-CE2 4.13Å; V54-F59 HydrophobicContact CG1-CZ 3.77Å; V54-F59 WeakPolarHBondContact O-CE2 3.25Å |
| 55 | R | 94.4 | Very high | 95.1 | Very high | 202 Ų | 202 | 105.3 Ų | 105.3 | 76% | 0.762 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -34.6 | -178.6 | -173.9 | 175.4 | -176.3 | 162.9 | 2.1 | 113.3 | P51 E53 | P51-R55 WeakPolarHBondContact O-CB 3.33Å; P51-R55 PolarHBondContact O-N 3.29Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 3.22Å |
| 56 | N | 92.3 | Very high | 95.2 | Very high | 137 Ų | 137 | 108.8 Ų | 108.8 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1.5 | -175.8 | -62.6 | -33.1 | 0 | 0 | 0 | 113 | E52 E53 V54 | E52-N56 PolarHBondContact O-ND2 3.03Å; E53-N56 PolarHBondContact O-N 2.69Å; V54-N56 VanDerWaalsContact C-N 3.29Å; V54-N56 PolarHBondContact O-N 2.92Å |
| 57 | R | 94 | Very high | 95.4 | Very high | 69 Ų | 69 | 112.1 Ų | 112.1 | 26% | 0.26 | 52% | 0.522 | S | S | . | . | trans | -88 | 133.4 | -173.9 | -161.8 | 174.8 | -56.1 | 139.3 | -4.3 | 111.6 | D49 E53 V54 F59 E62 | D49-R57 IonicContact OD1-CZ 2.75Å; D49-R57 IonicContact OD1-NH1 2.66Å; D49-R57 PolarHBondContact OD1-NH1 3.43Å; D49-R57 IonicContact OD1-NH2 3.87Å; D49-R57 PolarHBondContact OD1-NH2 2.99Å; E53-R57 PolarHBondContact O-N 3.33Å; E53-R57 IonicContact OE2-NH2 3.66Å; V54-R57 PolarHBondContact O-N 3.16Å; R57-F59 HydrophobicContact CB-CE1 4.27Å; R57-F59 HydrophobicContact CB-CE2 4.19Å; R57-F59 HydrophobicContact CB-CZ 3.91Å; R57-F59 HydrophobicContact CG-CD1 4.47Å; R57-F59 HydrophobicContact CG-CE1 4.18Å; R57-F59 HydrophobicContact CG-CZ 4.33Å; R57-F59 PolarHBondContact O-N 3.07Å; R57-E62 VanDerWaalsContact CD-OE2 3.29Å; R57-E62 WeakPolarHBondContact CD-OE2 3.38Å | ||
| 58 | D | 96 | Very high | 95.5 | Very high | 87 Ų | 87 | 113.9 Ų | 113.9 | 47% | 0.465 | 51% | 0.514 | S | S | . | . | trans | -87.9 | 94.7 | 169.5 | 179.9 | 10.1 | 0 | 0 | 0 | 110.7 | R60 R61 E62 | D58-R60 VanDerWaalsContact C-N 3.31Å; D58-R60 PolarHBondContact O-N 3.49Å; D58-R60 PolarHBondContact OD1-N 2.91Å; D58-R60 VanDerWaalsContact OD1-N 3.14Å; D58-R61 WeakPolarHBondContact OD2-CB 3.46Å; D58-E62 PolarHBondContact O-N 3.04Å | ||
| 59 | F | 97.3 | Very high | 95.6 | Very high | 101 Ų | 101 | 113 Ų | 113 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -26.8 | -179.2 | -65.9 | -70.7 | 0 | 0 | 0 | 113.9 | V54 R57 L63 | V54-F59 HydrophobicContact CB-CZ 4.42Å; V54-F59 HydrophobicContact CG1-CE2 4.13Å; V54-F59 HydrophobicContact CG1-CZ 3.77Å; V54-F59 WeakPolarHBondContact O-CE2 3.25Å; R57-F59 HydrophobicContact CB-CE1 4.27Å; R57-F59 HydrophobicContact CB-CE2 4.19Å; R57-F59 HydrophobicContact CB-CZ 3.91Å; R57-F59 HydrophobicContact CG-CD1 4.47Å; R57-F59 HydrophobicContact CG-CE1 4.18Å; R57-F59 HydrophobicContact CG-CZ 4.33Å; R57-F59 PolarHBondContact O-N 3.07Å; F59-L63 WeakPolarHBondContact O-CB 3.35Å; F59-L63 PolarHBondContact O-N 3.43Å |
| 60 | R | 96.9 | Very high | 95.7 | Very high | 200 Ų | 200 | 111.9 Ų | 111.9 | 76% | 0.755 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.7 | -49.3 | -176.6 | 177.4 | 178 | -86.7 | 107.2 | -5.4 | 109.8 | D58 L63 E64 | D58-R60 VanDerWaalsContact C-N 3.31Å; D58-R60 PolarHBondContact O-N 3.49Å; D58-R60 PolarHBondContact OD1-N 2.91Å; D58-R60 VanDerWaalsContact OD1-N 3.14Å; R60-L63 PolarHBondContact O-N 3.46Å; R60-E64 PolarHBondContact O-N 3.43Å; R60-E64 VanDerWaalsContact O-N 3.11Å |
| 61 | R | 97.3 | Very high | 95.6 | Very high | 166 Ų | 166 | 113.6 Ų | 113.6 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 179.6 | -175.4 | -180 | 66.3 | 98.9 | 3 | 112.4 | D58 E64 E65 | D58-R61 WeakPolarHBondContact OD2-CB 3.46Å; R61-E64 PolarHBondContact O-N 2.95Å; R61-E65 PolarHBondContact O-N 2.99Å |
| 62 | E | 96.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 118.9 Ų | 118.9 | 40% | 0.397 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | -180 | -173.8 | -175 | 162.8 | 0 | 0 | 112 | R57 D58 E65 R66 | R57-E62 VanDerWaalsContact CD-OE2 3.29Å; R57-E62 WeakPolarHBondContact CD-OE2 3.38Å; D58-E62 PolarHBondContact O-N 3.04Å; E62-E65 PolarHBondContact O-N 2.91Å; E62-R66 WeakPolarHBondContact O-CB 3.41Å; E62-R66 PolarHBondContact O-N 3.45Å |
| 63 | L | 97.7 | Very high | 95.6 | Very high | 94 Ų | 94 | 117.3 Ų | 117.3 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 177.9 | -174.2 | 161.1 | 0 | 0 | 0 | 110.6 | F59 R60 E65 R66 E67 | F59-L63 WeakPolarHBondContact O-CB 3.35Å; F59-L63 PolarHBondContact O-N 3.43Å; R60-L63 PolarHBondContact O-N 3.46Å; L63-E65 PolarHBondContact O-N 3.19Å; L63-R66 PolarHBondContact O-N 2.82Å; L63-E67 HydrophobicContact CD2-CG 3.86Å; L63-E67 VanDerWaalsContact CD2-OE1 3.26Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.31Å; L63-E67 WeakPolarHBondContact O-CB 3.43Å; L63-E67 WeakPolarHBondContact O-CG 3.46Å; L63-E67 PolarHBondContact O-N 3.2Å |
| 64 | E | 97.3 | Very high | 95.6 | Very high | 131 Ų | 131 | 121.3 Ų | 121.3 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 179.6 | -175.6 | 160.6 | -160.5 | 0 | 0 | 112.3 | R60 R61 R66 E67 R68 | R60-E64 PolarHBondContact O-N 3.43Å; R60-E64 VanDerWaalsContact O-N 3.11Å; R61-E64 PolarHBondContact O-N 2.95Å; E64-R66 PolarHBondContact O-N 3.34Å; E64-E67 PolarHBondContact O-N 2.78Å; E64-R68 WeakPolarHBondContact O-CB 3.49Å; E64-R68 PolarHBondContact O-N 3.08Å |
| 65 | E | 97.1 | Very high | 95.3 | Very high | 95 Ų | 95 | 124.6 Ų | 124.6 | 44% | 0.444 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.1 | -44.9 | 173.2 | 176.9 | 167.2 | -151.6 | 0 | 0 | 111.8 | R61 E62 L63 R68 V69 | R61-E65 PolarHBondContact O-N 2.99Å; E62-E65 PolarHBondContact O-N 2.91Å; L63-E65 PolarHBondContact O-N 3.19Å; E65-R68 WeakPolarHBondContact O-CB 3.36Å; E65-R68 PolarHBondContact O-N 3.47Å; E65-R68 IonicContact OE1-NH2 3.34Å; E65-V69 WeakPolarHBondContact O-CG2 3.43Å; E65-V69 PolarHBondContact O-N 3.29Å |
| 66 | R | 97.6 | Very high | 95.1 | Very high | 189 Ų | 189 | 124.5 Ų | 124.5 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.7 | -37 | -179.8 | -168.7 | 170.8 | 171.3 | 117.4 | -0.8 | 112 | E62 L63 E64 V69 A70 | E62-R66 WeakPolarHBondContact O-CB 3.41Å; E62-R66 PolarHBondContact O-N 3.45Å; L63-R66 PolarHBondContact O-N 2.82Å; E64-R66 PolarHBondContact O-N 3.34Å; R66-V69 PolarHBondContact O-N 2.97Å; R66-A70 WeakPolarHBondContact O-CB 3.32Å; R66-A70 PolarHBondContact O-N 3.33Å |
| 67 | E | 96.3 | Very high | 94.5 | Very high | 124 Ų | 124 | 123.8 Ų | 123.8 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.7 | -43.5 | 171.7 | -77.5 | -173.9 | 165.3 | 0 | 0 | 111.6 | L63 E64 V69 A70 A71 | L63-E67 HydrophobicContact CD2-CG 3.86Å; L63-E67 VanDerWaalsContact CD2-OE1 3.26Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.31Å; L63-E67 WeakPolarHBondContact O-CB 3.43Å; L63-E67 WeakPolarHBondContact O-CG 3.46Å; L63-E67 PolarHBondContact O-N 3.2Å; E64-E67 PolarHBondContact O-N 2.78Å; E67-V69 VanDerWaalsContact C-N 3.35Å; E67-V69 PolarHBondContact O-N 3.41Å; E67-A70 PolarHBondContact O-N 3.46Å; E67-A71 VanDerWaalsContact O-CB 3.31Å; E67-A71 WeakPolarHBondContact O-CB 3.39Å; E67-A71 PolarHBondContact O-N 3.48Å |
| 68 | R | 96.3 | Very high | 93.6 | Very high | 168 Ų | 168 | 129.7 Ų | 129.7 | 63% | 0.634 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60 | -43.9 | 175.1 | -177.7 | -179.4 | 64.5 | 179.5 | -2.1 | 111.9 | E64 E65 A71 R72 | E64-R68 WeakPolarHBondContact O-CB 3.49Å; E64-R68 PolarHBondContact O-N 3.08Å; E65-R68 WeakPolarHBondContact O-CB 3.36Å; E65-R68 PolarHBondContact O-N 3.47Å; E65-R68 IonicContact OE1-NH2 3.34Å; R68-A71 PolarHBondContact O-N 3.13Å; R68-R72 WeakPolarHBondContact O-CB 3.42Å; R68-R72 PolarHBondContact O-N 3.3Å |
| 69 | V | 96.1 | Very high | 91.8 | Very high | 86 Ų | 86 | 130.5 Ų | 130.5 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -45.3 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | E65 R66 E67 A71 R72 E73 | E65-V69 WeakPolarHBondContact O-CG2 3.43Å; E65-V69 PolarHBondContact O-N 3.29Å; R66-V69 PolarHBondContact O-N 2.97Å; E67-V69 VanDerWaalsContact C-N 3.35Å; E67-V69 PolarHBondContact O-N 3.41Å; V69-A71 VanDerWaalsContact C-N 3.33Å; V69-A71 PolarHBondContact O-N 3.33Å; V69-R72 PolarHBondContact O-N 2.83Å; V69-E73 WeakPolarHBondContact O-CB 3.46Å; V69-E73 PolarHBondContact O-N 3.11Å |
| 70 | A | 96.1 | Very high | 89.9 | Confident | 56 Ų | 56 | 132.7 Ų | 132.7 | 46% | 0.463 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.3 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R66 E67 E73 K74 | R66-A70 WeakPolarHBondContact O-CB 3.32Å; R66-A70 PolarHBondContact O-N 3.33Å; E67-A70 PolarHBondContact O-N 3.46Å; A70-E73 PolarHBondContact O-N 2.9Å; A70-K74 WeakPolarHBondContact O-CB 3.43Å; A70-K74 PolarHBondContact O-N 2.98Å |
| 71 | A | 94.1 | Very high | 87.7 | Confident | 50 Ų | 50 | 131.6 Ų | 131.6 | 41% | 0.413 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.7 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | E67 R68 V69 N75 | E67-A71 VanDerWaalsContact O-CB 3.31Å; E67-A71 WeakPolarHBondContact O-CB 3.39Å; E67-A71 PolarHBondContact O-N 3.48Å; R68-A71 PolarHBondContact O-N 3.13Å; V69-A71 VanDerWaalsContact C-N 3.33Å; V69-A71 PolarHBondContact O-N 3.33Å; A71-N75 WeakPolarHBondContact O-CB 3.45Å; A71-N75 PolarHBondContact O-N 3.01Å; A71-N75 PolarHBondContact O-ND2 3.39Å |
| 72 | R | 93.4 | Very high | 85.2 | Confident | 203 Ų | 203 | 131.6 Ų | 131.6 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.7 | -42.5 | 175.7 | -176.4 | 178.7 | 177.6 | -175.8 | 0.6 | 112 | R68 V69 N75 R76 | R68-R72 WeakPolarHBondContact O-CB 3.42Å; R68-R72 PolarHBondContact O-N 3.3Å; V69-R72 PolarHBondContact O-N 2.83Å; R72-N75 PolarHBondContact O-N 3.31Å; R72-R76 PolarHBondContact O-N 2.99Å |
| 73 | E | 93.9 | Very high | 82.9 | Confident | 93 Ų | 93 | 136.3 Ų | 136.3 | 44% | 0.435 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.6 | -48.4 | 178.3 | -166.7 | -81.1 | 146.8 | 0 | 0 | 110.7 | V69 A70 N75 R76 D77 | V69-E73 WeakPolarHBondContact O-CB 3.46Å; V69-E73 PolarHBondContact O-N 3.11Å; A70-E73 PolarHBondContact O-N 2.9Å; E73-N75 VanDerWaalsContact C-N 3.27Å; E73-N75 PolarHBondContact O-N 2.9Å; E73-R76 PolarHBondContact O-N 2.96Å; E73-R76 VanDerWaalsContact O-N 3.07Å; E73-D77 PolarHBondContact O-N 3.45Å |
| 74 | K | 92.9 | Very high | 80.2 | Confident | 161 Ų | 161 | 137.4 Ų | 137.4 | 70% | 0.7 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -56.8 | -36.7 | 173 | -176.4 | 179.9 | 177.9 | -176.6 | 0 | 113.4 | A70 | A70-K74 WeakPolarHBondContact O-CB 3.43Å; A70-K74 PolarHBondContact O-N 2.98Å |
| 75 | N | 88.9 | Confident | 77.9 | Confident | 119 Ų | 119 | 136.8 Ų | 136.8 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.5 | -35.4 | 176.7 | -82.5 | -29.3 | 0 | 0 | 0 | 112.6 | A71 R72 E73 | A71-N75 WeakPolarHBondContact O-CB 3.45Å; A71-N75 PolarHBondContact O-N 3.01Å; A71-N75 PolarHBondContact O-ND2 3.39Å; R72-N75 PolarHBondContact O-N 3.31Å; E73-N75 VanDerWaalsContact C-N 3.27Å; E73-N75 PolarHBondContact O-N 2.9Å |
| 76 | R | 88.6 | Confident | 75.3 | Confident | 200 Ų | 200 | 137 Ų | 137 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.4 | -38 | 177.1 | -174.9 | -177.4 | 66.8 | -167.1 | -2 | 112.1 | R72 E73 R78 | R72-R76 PolarHBondContact O-N 2.99Å; E73-R76 PolarHBondContact O-N 2.96Å; E73-R76 VanDerWaalsContact O-N 3.07Å; R76-R78 PolarHBondContact O-N 3.45Å |
| 77 | D | 80.6 | Confident | 72.8 | Confident | 123 Ų | 123 | 133.4 Ų | 133.4 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -80.4 | -3.6 | -176.8 | -158.7 | 45.2 | 0 | 0 | 0 | 113.4 | E73 P79 | E73-D77 PolarHBondContact O-N 3.45Å; D77-P79 WeakPolarHBondContact O-CD 3.46Å |
| 78 | R | 75.8 | Confident | 70.2 | Confident | 192 Ų | 192 | 132 Ų | 132 | 73% | 0.725 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -89.1 | 101.6 | 173.2 | -166.7 | 175.6 | -177.2 | -169.5 | -2.1 | 109.2 | R76 T80 | R76-R78 PolarHBondContact O-N 3.45Å; R78-T80 PolarHBondContact O-N 3.28Å |
| 79 | P | 57.1 | Low | 68.1 | Low | 105 Ų | 105 | 129.8 Ų | 129.8 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | trans | -59.8 | 135.4 | 169.3 | 25.7 | -33.3 | 0 | 0 | 0 | 108.5 | D77 R81 | D77-P79 WeakPolarHBondContact O-CD 3.46Å; P79-R81 PolarHBondContact O-N 3.08Å | ||
| 80 | T | 56.9 | Low | 65.6 | Low | 147 Ų | 147 | 130.9 Ų | 130.9 | 90% | 0.902 | 69% | 0.691 | S | S | * | * | trans | -55.6 | 82.5 | 176 | -43.5 | 0 | 0 | 0 | 0 | 109.9 | R78 E82 | R78-T80 PolarHBondContact O-N 3.28Å; T80-E82 PolarHBondContact O-N 3.23Å | ||
| 81 | R | 51.5 | Low | 63.3 | Low | 177 Ų | 177 | 137.5 Ų | 137.5 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | trans | -87 | 104.4 | 171.7 | -163.9 | 169.7 | 175.2 | -174.5 | -7.6 | 106.2 | P79 D203 | P79-R81 PolarHBondContact O-N 3.08Å; R81-D203 IonicContact CZ-OD2 3.46Å; R81-D203 IonicContact NH1-OD2 3.3Å; R81-D203 PolarHBondContact NH1-OD2 2.86Å; R81-D203 IonicContact NH2-OD2 2.72Å; R81-D203 PolarHBondContact NH2-OD2 3.34Å | ||
| 82 | E | 44.2 | Very low | 61.2 | Low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | trans | -3.6 | 132.1 | 174.4 | -65.1 | -174.5 | 156.3 | 0 | 0 | 117.4 | T80 T84 | T80-E82 PolarHBondContact O-N 3.23Å; E82-T84 PolarHBondContact O-N 3.44Å | ||
| 83 | H | 48.1 | Very low | 58.9 | Low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | trans | -29.1 | 102.1 | 154.3 | -117.4 | -73.8 | 0 | 0 | 0 | 111.4 | ||||
| 84 | T | 40.5 | Very low | 56.5 | Low | 117 Ų | 117 | 147.9 Ų | 147.9 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -111.2 | 99.8 | 154 | 49.1 | 0 | 0 | 0 | 0 | 105.5 | E82 S86 | E82-T84 PolarHBondContact O-N 3.44Å; T84-S86 PolarHBondContact O-N 3.21Å | ||
| 85 | T | 48.8 | Very low | 54.6 | Low | 118 Ų | 118 | 147.4 Ų | 147.4 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -48 | 105.9 | 164.1 | 41 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 86 | S | 44.5 | Very low | 52.9 | Low | 100 Ų | 100 | 148.4 Ų | 148.4 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -124.2 | 64.6 | 165.4 | 42.2 | 0 | 0 | 0 | 0 | 108.1 | T84 S88 | T84-S86 PolarHBondContact O-N 3.21Å; S86-S88 VanDerWaalsContact C-N 3.28Å; S86-S88 PolarHBondContact O-N 3.47Å; S86-S88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | S | 44.6 | Very low | 50.9 | Low | 112 Ų | 112 | 148.3 Ų | 148.3 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -60.8 | 94.4 | 146.3 | 41.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 88 | S | 40.6 | Very low | 49.3 | Very low | 95 Ų | 95 | 150.3 Ų | 150.3 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -154.6 | 95.7 | 149.3 | 42.3 | 0 | 0 | 0 | 0 | 109.3 | S86 S90 | S86-S88 VanDerWaalsContact C-N 3.28Å; S86-S88 PolarHBondContact O-N 3.47Å; S86-S88 VanDerWaalsContact O-N 3.1Å; S88-S90 PolarHBondContact O-N 3.36Å | ||
| 89 | V | 51.9 | Low | 47.7 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -23.7 | 114.4 | 150.3 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | K91 | V89-K91 HydrophobicContact CG1-CD 4.37Å; V89-K91 HydrophobicContact CG1-CG 4.07Å | ||
| 90 | S | 45.2 | Very low | 47.2 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -134.7 | 83.5 | 155.6 | -70.2 | 0 | 0 | 0 | 0 | 107.1 | S88 K92 | S88-S90 PolarHBondContact O-N 3.36Å; S90-K92 PolarHBondContact O-N 3.2Å; S90-K92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | K | 47.3 | Very low | 47.1 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -49 | 110.1 | 166.4 | -72 | 168.8 | 174.4 | 174.2 | 0 | 108.5 | V89 | V89-K91 HydrophobicContact CG1-CD 4.37Å; V89-K91 HydrophobicContact CG1-CG 4.07Å | ||
| 92 | K | 49.3 | Very low | 46.8 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -89.2 | 129.9 | 154.3 | -74 | -179.3 | 169.6 | -176.1 | 0 | 106.7 | S90 R94 | S90-K92 PolarHBondContact O-N 3.2Å; S90-K92 VanDerWaalsContact O-N 3.11Å; K92-R94 PolarHBondContact O-N 2.99Å; K92-R94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | P | 46.3 | Very low | 46.9 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -67 | 117.6 | 180 | 28 | -31.1 | 0 | 0 | 0 | 108.4 | L95 | P93-L95 PolarHBondContact O-N 3.01Š| ||
| 94 | R | 43.7 | Very low | 46.6 | Very low | 247 Ų | 247 | 141.9 Ų | 141.9 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -73.6 | 104.4 | 160.5 | -89.2 | -177.1 | 161.3 | 100.9 | -4.7 | 106.1 | K92 | K92-R94 PolarHBondContact O-N 2.99Å; K92-R94 VanDerWaalsContact O-N 3.16Å | ||
| 95 | L | 51.6 | Low | 46.7 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -76.8 | 135.3 | 163.7 | -172.7 | 62.8 | 0 | 0 | 0 | 107.5 | P93 | P93-L95 PolarHBondContact O-N 3.01Š| ||
| 96 | D | 52.8 | Low | 46.7 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 79.2 | 79.6 | 170.3 | -57.4 | -24.2 | 0 | 0 | 0 | 118.7 | ||||
| 97 | Q | 46.8 | Very low | 46.8 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -138.2 | 123.6 | 139.9 | -117.1 | 170.1 | 24.8 | 0 | 0 | 109.8 | ||||
| 98 | I | 48.4 | Very low | 47 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -66.3 | 138.6 | -174.1 | -61.5 | 159.9 | 0 | 0 | 0 | 109.7 | A100 | I98-A100 PolarHBondContact O-N 3.44Š| ||
| 99 | P | 41.8 | Very low | 47.4 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -79.3 | 120.3 | -170.4 | 30.9 | -32.1 | 0 | 0 | 0 | 111.3 | A101 | P99-A101 PolarHBondContact O-N 3.49Š| ||
| 100 | A | 46.2 | Very low | 46.8 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 100.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | I98 N102 | I98-A100 PolarHBondContact O-N 3.44Å; A100-N102 PolarHBondContact O-N 2.96Å | ||
| 101 | A | 55.2 | Low | 46.8 | Very low | 85 Ų | 85 | 150.8 Ų | 150.8 | 70% | 0.702 | 82% | 0.819 | S | S | * | * | trans | -51.7 | 115.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109 | P99 | P99-A101 PolarHBondContact O-N 3.49Š| ||
| 102 | N | 45.3 | Very low | 46.6 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -171.9 | 70.1 | 149.1 | -81.5 | -29.8 | 0 | 0 | 0 | 106.6 | A100 | A100-N102 PolarHBondContact O-N 2.96Š| ||
| 103 | L | 45 | Very low | 46.3 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -81.1 | 113.4 | 152.1 | -93.9 | 80.5 | 0 | 0 | 0 | 106 | ||||
| 104 | D | 42.7 | Very low | 46.1 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -137.1 | 91.6 | 167.7 | -163.9 | 30.5 | 0 | 0 | 0 | 104.1 | ||||
| 105 | A | 43.1 | Very low | 46 | Very low | 78 Ų | 78 | 144 Ų | 144 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | 73.4 | 111.2 | 84 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 106 | D | 48.9 | Very low | 45.8 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | 55.5 | 106.9 | 162.2 | -62.5 | -20.7 | 0 | 0 | 0 | 119.7 | ||||
| 107 | D | 45.8 | Very low | 45.3 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -137.4 | 119.3 | 146.2 | -158.9 | 28.7 | 0 | 0 | 0 | 109.5 | ||||
| 108 | P | 48.7 | Very low | 45.4 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 63% | 0.63 | 80% | 0.803 | S | S | * | * | trans | -81.7 | 144.1 | -165.4 | 32.2 | -33.4 | 0 | 0 | 0 | 113 | T110 | P108-T110 PolarHBondContact O-N 3.44Š| ||
| 109 | L | 50 | Low | 45.2 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | -63.8 | 113.6 | 156.8 | -91.4 | 152.2 | 0 | 0 | 0 | 109 | ||||
| 110 | T | 38.3 | Very low | 45.4 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -120.5 | 107 | 159 | 43.5 | 0 | 0 | 0 | 0 | 109 | P108 | P108-T110 PolarHBondContact O-N 3.44Š| ||
| 111 | D | 46.5 | Very low | 45.5 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -57.1 | 169.8 | 142.5 | -110 | -24.9 | 0 | 0 | 0 | 109.8 | ||||
| 112 | E | 41.4 | Very low | 44.9 | Very low | 186 Ų | 186 | 153.8 Ų | 153.8 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | 103 | 94.6 | 179.6 | -58.8 | 177.9 | -168.9 | 0 | 0 | 111.8 | ||||
| 113 | D | 43.6 | Very low | 45.2 | Very low | 145 Ų | 145 | 153 Ų | 153 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | 67.6 | 135.5 | 74.6 | -129.7 | 7.3 | 0 | 0 | 0 | 113.5 | |||||
| 114 | D | 42.2 | Very low | 45.3 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | trans | 80.9 | 122.7 | 156.5 | -66.6 | -35.8 | 0 | 0 | 0 | 123.2 | ||||
| 115 | E | 41.1 | Very low | 45.9 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 83.6 | 107.2 | 131.5 | -67.7 | 174.8 | -175.3 | 0 | 0 | 120.5 | ||||
| 116 | D | 47.1 | Very low | 46.5 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 28.6 | 124.1 | 126.4 | -63.8 | -32.1 | 0 | 0 | 0 | 119.8 | |||||
| 117 | E | 42.3 | Very low | 47 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | -178.5 | 114.1 | 123.9 | -98.9 | 174.8 | -164.4 | 0 | 0 | 112 | |||||
| 118 | D | 49.5 | Very low | 47.9 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 30.3 | 117 | 141.2 | -59.9 | -23.6 | 0 | 0 | 0 | 122 | ||||
| 119 | L | 43.8 | Very low | 48.6 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 97% | 0.969 | 77% | 0.767 | S | S | * | * | trans | -135.5 | 124.2 | 144 | -81.3 | 174.7 | 0 | 0 | 0 | 111 | ||||
| 120 | E | 46.7 | Very low | 49 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -64.2 | 137.7 | -172.9 | -65.3 | 175.9 | 158.9 | 0 | 0 | 115.1 | ||||
| 121 | E | 48.1 | Very low | 50.4 | Low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | 46.9 | 96.8 | 131.4 | -155.5 | 160.7 | -157 | 0 | 0 | 119.1 | ||||
| 122 | S | 42.6 | Very low | 51.6 | Low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | -121.1 | 108.3 | 148.4 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | D124 | S122-D124 PolarHBondContact O-N 2.89Š| ||
| 123 | D | 51.8 | Low | 52.9 | Low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -52.2 | 107.1 | 172.3 | -174.4 | 31.6 | 0 | 0 | 0 | 111.2 | ||||
| 124 | D | 46.6 | Very low | 53.9 | Low | 110 Ų | 110 | 128.2 Ų | 128.2 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | trans | -148.2 | 107.8 | 163.5 | -144.1 | 13.4 | 0 | 0 | 0 | 109.3 | S122 D126 T127 | S122-D124 PolarHBondContact O-N 2.89Å; D124-D126 PolarHBondContact O-N 3.1Å; D124-T127 PolarHBondContact O-N 3.31Å; D124-T127 PolarHBondContact O-OG1 2.88Å | ||
| 125 | D | 56.2 | Low | 55.4 | Low | 144 Ų | 144 | 129.2 Ų | 129.2 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -7.1 | -172 | -107.6 | -25.1 | 0 | 0 | 0 | 114.7 | ||
| 126 | D | 56.1 | Low | 56.9 | Low | 126 Ų | 126 | 128.5 Ų | 128.5 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -14.2 | -177 | -76.6 | -27.4 | 0 | 0 | 0 | 114.3 | D124 | D124-D126 PolarHBondContact O-N 3.1Š|
| 127 | T | 58.7 | Low | 57.9 | Low | 98 Ų | 98 | 124.8 Ų | 124.8 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.2 | -34.1 | -175.6 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | D124 L130 L131 | D124-T127 PolarHBondContact O-N 3.31Å; D124-T127 PolarHBondContact O-OG1 2.88Å; T127-L130 PolarHBondContact O-N 3.39Å; T127-L131 PolarHBondContact O-N 2.95Å |
| 128 | A | 63.7 | Low | 59.4 | Low | 67 Ų | 67 | 123.7 Ų | 123.7 | 55% | 0.554 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.7 | -33.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L130 A132 | A128-L130 VanDerWaalsContact C-N 3.32Å; A128-L130 PolarHBondContact O-N 3.41Å; A128-A132 PolarHBondContact O-N 2.87Å |
| 129 | A | 65.1 | Low | 60.8 | Low | 68 Ų | 68 | 123.8 Ų | 123.8 | 56% | 0.562 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.6 | -35.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E133 | A129-E133 PolarHBondContact O-N 2.95Å |
| 130 | L | 58.5 | Low | 62.4 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 57% | 0.571 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.2 | -32.5 | -173.7 | -150.8 | 147.8 | 0 | 0 | 0 | 112.6 | T127 A128 L134 | T127-L130 PolarHBondContact O-N 3.39Å; A128-L130 VanDerWaalsContact C-N 3.32Å; A128-L130 PolarHBondContact O-N 3.41Å; L130-L134 HydrophobicContact CD2-CD1 4.28Å; L130-L134 PolarHBondContact O-N 3.26Å; L130-L134 VanDerWaalsContact O-N 3.08Å |
| 131 | L | 66.4 | Low | 63.6 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 59% | 0.586 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.6 | -38.5 | 173.3 | -72.7 | 173.1 | 0 | 0 | 0 | 112.4 | T127 E133 L134 E135 | T127-L131 PolarHBondContact O-N 2.95Å; L131-E133 VanDerWaalsContact C-N 3.31Å; L131-E133 PolarHBondContact O-N 2.92Å; L131-L134 PolarHBondContact O-N 3.1Å; L131-E135 WeakPolarHBondContact O-CG 3.31Å; L131-E135 PolarHBondContact O-N 3.07Å |
| 132 | A | 72.3 | Confident | 64.9 | Low | 59 Ų | 59 | 114 Ų | 114 | 49% | 0.488 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.9 | -33.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A128 K136 | A128-A132 PolarHBondContact O-N 2.87Å; A132-K136 WeakPolarHBondContact O-CB 3.45Å; A132-K136 PolarHBondContact O-N 2.91Å; A132-K136 VanDerWaalsContact O-N 3.1Å |
| 133 | E | 68.4 | Low | 66.5 | Low | 125 Ų | 125 | 115.1 Ų | 115.1 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.2 | -38.6 | 173.8 | -167.9 | 169.9 | -175.5 | 0 | 0 | 111.9 | A129 L131 K136 I137 | A129-E133 PolarHBondContact O-N 2.95Å; L131-E133 VanDerWaalsContact C-N 3.31Å; L131-E133 PolarHBondContact O-N 2.92Å; E133-K136 PolarHBondContact O-N 3.41Å; E133-I137 HydrophobicContact CG-CD1 4.27Å; E133-I137 VanDerWaalsContact O-CG1 3.31Å; E133-I137 WeakPolarHBondContact O-CG1 3.32Å; E133-I137 PolarHBondContact O-N 3Å |
| 134 | L | 65.1 | Low | 67.6 | Low | 87 Ų | 87 | 114.4 Ų | 114.4 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.9 | -39.2 | 173.8 | -88.7 | 172.5 | 0 | 0 | 0 | 113.2 | L130 L131 K136 I137 K138 | L130-L134 HydrophobicContact CD2-CD1 4.28Å; L130-L134 PolarHBondContact O-N 3.26Å; L130-L134 VanDerWaalsContact O-N 3.08Å; L131-L134 PolarHBondContact O-N 3.1Å; L134-K136 VanDerWaalsContact C-N 3.34Å; L134-I137 PolarHBondContact O-N 3.39Å; L134-K138 WeakPolarHBondContact O-CB 3.25Å; L134-K138 PolarHBondContact O-N 2.97Å |
| 135 | E | 72.8 | Confident | 69.1 | Low | 140 Ų | 140 | 115.4 Ų | 115.4 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.3 | -37.8 | 174.8 | -75.1 | -176.2 | 172.2 | 0 | 0 | 111.9 | L131 K138 K139 | L131-E135 WeakPolarHBondContact O-CG 3.31Å; L131-E135 PolarHBondContact O-N 3.07Å; E135-K138 PolarHBondContact O-N 3.29Å; E135-K139 VanDerWaalsContact O-CB 3.27Å; E135-K139 WeakPolarHBondContact O-CB 3.27Å; E135-K139 PolarHBondContact O-N 2.99Å |
| 136 | K | 74 | Confident | 70.2 | Confident | 152 Ų | 152 | 110.7 Ų | 110.7 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.3 | -43 | 174 | -166 | 177 | 178.9 | -176.1 | 0 | 111.6 | A132 E133 L134 K139 E140 | A132-K136 WeakPolarHBondContact O-CB 3.45Å; A132-K136 PolarHBondContact O-N 2.91Å; A132-K136 VanDerWaalsContact O-N 3.1Å; E133-K136 PolarHBondContact O-N 3.41Å; L134-K136 VanDerWaalsContact C-N 3.34Å; K136-K139 PolarHBondContact O-N 2.69Å; K136-E140 VanDerWaalsContact O-CB 3.31Å; K136-E140 WeakPolarHBondContact O-CB 3.45Å; K136-E140 PolarHBondContact O-N 2.85Å |
| 137 | I | 68.4 | Low | 71.3 | Confident | 74 Ų | 74 | 113 Ų | 113 | 38% | 0.379 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.2 | -40.4 | 175.9 | -68.4 | 167.5 | 0 | 0 | 0 | 111.5 | E133 L134 R141 | E133-I137 HydrophobicContact CG-CD1 4.27Å; E133-I137 VanDerWaalsContact O-CG1 3.31Å; E133-I137 WeakPolarHBondContact O-CG1 3.32Å; E133-I137 PolarHBondContact O-N 3Å; L134-I137 PolarHBondContact O-N 3.39Å; I137-R141 VanDerWaalsContact O-CB 3.25Å; I137-R141 WeakPolarHBondContact O-CB 3.31Å; I137-R141 PolarHBondContact O-N 3.36Å |
| 138 | K | 73.3 | Confident | 72.3 | Confident | 163 Ų | 163 | 114.6 Ų | 114.6 | 71% | 0.709 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.6 | -42.1 | 175.3 | -89.9 | -178.2 | 175.5 | 174.7 | 0 | 111.8 | L134 E135 A142 | L134-K138 WeakPolarHBondContact O-CB 3.25Å; L134-K138 PolarHBondContact O-N 2.97Å; E135-K138 PolarHBondContact O-N 3.29Å; K138-A142 VanDerWaalsContact O-CB 3.25Å; K138-A142 WeakPolarHBondContact O-CB 3.25Å; K138-A142 PolarHBondContact O-N 2.91Å |
| 139 | K | 79.1 | Confident | 73 | Confident | 155 Ų | 155 | 117.9 Ų | 117.9 | 67% | 0.674 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.7 | -42.8 | 179 | -169.6 | 175.6 | -179 | 178.8 | 0 | 111.8 | E135 K136 A142 E143 | E135-K139 VanDerWaalsContact O-CB 3.27Å; E135-K139 WeakPolarHBondContact O-CB 3.27Å; E135-K139 PolarHBondContact O-N 2.99Å; K136-K139 PolarHBondContact O-N 2.69Å; K139-A142 PolarHBondContact O-N 3.15Å; K139-E143 WeakPolarHBondContact O-CB 3.25Å; K139-E143 PolarHBondContact O-N 3.11Å |
| 140 | E | 76 | Confident | 73.5 | Confident | 130 Ų | 130 | 121.5 Ų | 121.5 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.7 | -44.4 | 175.5 | -175.4 | 176.9 | -177 | 0 | 0 | 111.6 | K136 E143 E144 | K136-E140 VanDerWaalsContact O-CB 3.31Å; K136-E140 WeakPolarHBondContact O-CB 3.45Å; K136-E140 PolarHBondContact O-N 2.85Å; E140-E143 PolarHBondContact O-N 3.28Å; E140-E144 PolarHBondContact O-N 3.1Å |
| 141 | R | 73.3 | Confident | 74.5 | Confident | 162 Ų | 162 | 122.4 Ų | 122.4 | 61% | 0.611 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.2 | -32.9 | 178.9 | -166.3 | -178.2 | -87.2 | 166.2 | -6.8 | 112.6 | I137 Q145 | I137-R141 VanDerWaalsContact O-CB 3.25Å; I137-R141 WeakPolarHBondContact O-CB 3.31Å; I137-R141 PolarHBondContact O-N 3.36Å; R141-Q145 WeakPolarHBondContact O-CB 3.48Å; R141-Q145 PolarHBondContact O-N 3.27Å |
| 142 | A | 74.7 | Confident | 75 | Confident | 56 Ų | 56 | 121.8 Ų | 121.8 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.3 | -38.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | K138 K139 Q145 A146 | K138-A142 VanDerWaalsContact O-CB 3.25Å; K138-A142 WeakPolarHBondContact O-CB 3.25Å; K138-A142 PolarHBondContact O-N 2.91Å; K139-A142 PolarHBondContact O-N 3.15Å; A142-Q145 PolarHBondContact O-N 3.49Å; A142-A146 WeakPolarHBondContact O-CB 3.28Å; A142-A146 PolarHBondContact O-N 2.94Å |
| 143 | E | 76.9 | Confident | 75.4 | Confident | 139 Ų | 139 | 125.1 Ų | 125.1 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.8 | -38.7 | 176.7 | -169.1 | 170.1 | -172.4 | 0 | 0 | 111.8 | K139 E140 A146 R147 | K139-E143 WeakPolarHBondContact O-CB 3.25Å; K139-E143 PolarHBondContact O-N 3.11Å; E140-E143 PolarHBondContact O-N 3.28Å; E143-A146 PolarHBondContact O-N 3.34Å; E143-R147 WeakPolarHBondContact O-CB 3.14Å; E143-R147 PolarHBondContact O-N 2.91Å |
| 144 | E | 74.4 | Confident | 76 | Confident | 126 Ų | 126 | 121.7 Ų | 121.7 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.9 | -41.5 | 173.5 | -167.9 | -178.5 | -166.5 | 0 | 0 | 112.2 | E140 R147 K148 | E140-E144 PolarHBondContact O-N 3.1Å; E144-R147 PolarHBondContact O-N 3.44Å; E144-K148 WeakPolarHBondContact O-CB 3.33Å; E144-K148 PolarHBondContact O-N 3.01Å |
| 145 | Q | 77.2 | Confident | 76.6 | Confident | 132 Ų | 132 | 123.6 Ų | 123.6 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.5 | -44.3 | 173.9 | -84.8 | -178.3 | -25.1 | 0 | 0 | 112 | R141 A142 R147 K148 E149 | R141-Q145 WeakPolarHBondContact O-CB 3.48Å; R141-Q145 PolarHBondContact O-N 3.27Å; A142-Q145 PolarHBondContact O-N 3.49Å; Q145-R147 VanDerWaalsContact C-N 3.34Å; Q145-R147 PolarHBondContact O-N 3.49Å; Q145-K148 PolarHBondContact O-N 2.96Å; Q145-E149 WeakPolarHBondContact O-CB 3.43Å; Q145-E149 PolarHBondContact O-N 3.35Å |
| 146 | A | 78.9 | Confident | 76.8 | Confident | 45 Ų | 45 | 123.1 Ų | 123.1 | 37% | 0.372 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.1 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A142 E143 E149 Q150 | A142-A146 WeakPolarHBondContact O-CB 3.28Å; A142-A146 PolarHBondContact O-N 2.94Å; E143-A146 PolarHBondContact O-N 3.34Å; A146-E149 PolarHBondContact O-N 2.99Å; A146-Q150 WeakPolarHBondContact O-CG 3.11Å; A146-Q150 PolarHBondContact O-N 3.39Å |
| 147 | R | 80.9 | Confident | 76.8 | Confident | 173 Ų | 173 | 121.6 Ų | 121.6 | 65% | 0.653 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.3 | -41.8 | 175.4 | -160.1 | -175.6 | 86.8 | -165.2 | 3 | 111.6 | E143 E144 Q145 Q150 E151 | E143-R147 WeakPolarHBondContact O-CB 3.14Å; E143-R147 PolarHBondContact O-N 2.91Å; E144-R147 PolarHBondContact O-N 3.44Å; Q145-R147 VanDerWaalsContact C-N 3.34Å; Q145-R147 PolarHBondContact O-N 3.49Å; R147-Q150 PolarHBondContact O-N 2.75Å; R147-E151 PolarHBondContact O-N 3.07Å; R147-E151 VanDerWaalsContact O-N 3.1Å |
| 148 | K | 78.6 | Confident | 77.3 | Confident | 132 Ų | 132 | 126.7 Ų | 126.7 | 57% | 0.574 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70 | -33 | 178.9 | -165.6 | 176.8 | -178.2 | 175.4 | 0 | 112.6 | E144 Q145 Q152 | E144-K148 WeakPolarHBondContact O-CB 3.33Å; E144-K148 PolarHBondContact O-N 3.01Å; Q145-K148 PolarHBondContact O-N 2.96Å; K148-Q152 WeakPolarHBondContact O-CG 3.35Å; K148-Q152 PolarHBondContact O-N 2.97Å |
| 149 | E | 78.7 | Confident | 77.4 | Confident | 137 Ų | 137 | 123.7 Ų | 123.7 | 64% | 0.64 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.3 | -37.8 | 175.4 | -167.7 | 177 | 177.5 | 0 | 0 | 111.7 | Q145 A146 Q152 K153 | Q145-E149 WeakPolarHBondContact O-CB 3.43Å; Q145-E149 PolarHBondContact O-N 3.35Å; A146-E149 PolarHBondContact O-N 2.99Å; E149-Q152 PolarHBondContact O-N 3.22Å; E149-K153 VanDerWaalsContact O-CB 3.32Å; E149-K153 WeakPolarHBondContact O-CB 3.14Å; E149-K153 PolarHBondContact O-N 3Å |
| 150 | Q | 76.3 | Confident | 77.3 | Confident | 143 Ų | 143 | 124.9 Ų | 124.9 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.3 | -40.6 | 172.2 | -74.6 | 179.8 | 10.2 | 0 | 0 | 112.3 | A146 R147 K153 A154 | A146-Q150 WeakPolarHBondContact O-CG 3.11Å; A146-Q150 PolarHBondContact O-N 3.39Å; R147-Q150 PolarHBondContact O-N 2.75Å; Q150-K153 PolarHBondContact O-N 3.17Å; Q150-A154 WeakPolarHBondContact O-CB 3.21Å; Q150-A154 PolarHBondContact O-N 3.25Å |
| 151 | E | 78.8 | Confident | 76.8 | Confident | 128 Ų | 128 | 124.7 Ų | 124.7 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.3 | -44.7 | 177.2 | -168.9 | 171.9 | -167.4 | 0 | 0 | 111.7 | R147 K153 A154 E155 | R147-E151 PolarHBondContact O-N 3.07Å; R147-E151 VanDerWaalsContact O-N 3.1Å; E151-K153 PolarHBondContact O-N 2.87Å; E151-A154 PolarHBondContact O-N 2.91Å; E151-E155 PolarHBondContact O-N 3.01Å |
| 152 | Q | 77.4 | Confident | 76.7 | Confident | 99 Ų | 99 | 123 Ų | 123 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -42.2 | 175.2 | -76.7 | 178.8 | 60.7 | 0 | 0 | 112.1 | K148 E149 A154 E155 E156 | K148-Q152 WeakPolarHBondContact O-CG 3.35Å; K148-Q152 PolarHBondContact O-N 2.97Å; E149-Q152 PolarHBondContact O-N 3.22Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.17Å; Q152-E155 PolarHBondContact O-N 3.37Å; Q152-E156 WeakPolarHBondContact O-CB 3.29Å; Q152-E156 WeakPolarHBondContact O-CG 3.39Å; Q152-E156 PolarHBondContact O-N 2.69Å |
| 153 | K | 80.6 | Confident | 76.5 | Confident | 130 Ų | 130 | 125.7 Ų | 125.7 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.7 | -37.6 | 177.8 | -168.6 | 175.9 | -178.4 | 178.5 | 0 | 112.2 | E149 Q150 E151 E157 | E149-K153 VanDerWaalsContact O-CB 3.32Å; E149-K153 WeakPolarHBondContact O-CB 3.14Å; E149-K153 PolarHBondContact O-N 3Å; Q150-K153 PolarHBondContact O-N 3.17Å; E151-K153 PolarHBondContact O-N 2.87Å; K153-E157 WeakPolarHBondContact O-CB 3.46Å; K153-E157 WeakPolarHBondContact O-CG 3.39Å; K153-E157 PolarHBondContact O-N 3.42Å |
| 154 | A | 81.4 | Confident | 76 | Confident | 53 Ų | 53 | 125 Ų | 125 | 44% | 0.438 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68 | -36.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q150 E151 Q152 E157 R158 | Q150-A154 WeakPolarHBondContact O-CB 3.21Å; Q150-A154 PolarHBondContact O-N 3.25Å; E151-A154 PolarHBondContact O-N 2.91Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.17Å; A154-E157 PolarHBondContact O-N 2.86Å; A154-R158 PolarHBondContact O-N 3.27Å |
| 155 | E | 77 | Confident | 75.4 | Confident | 126 Ų | 126 | 125.8 Ų | 125.8 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.8 | -40.8 | 175.8 | -165 | 162 | -148.3 | 0 | 0 | 111.6 | E151 Q152 R158 I159 | E151-E155 PolarHBondContact O-N 3.01Å; Q152-E155 PolarHBondContact O-N 3.37Å; E155-R158 PolarHBondContact O-N 3.45Å; E155-I159 HydrophobicContact CG-CD1 4.3Å; E155-I159 VanDerWaalsContact O-CG1 3.29Å; E155-I159 WeakPolarHBondContact O-CG1 3.41Å; E155-I159 PolarHBondContact O-N 3.43Å |
| 156 | E | 76.4 | Confident | 74.6 | Confident | 130 Ų | 130 | 123.3 Ų | 123.3 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.8 | -40.7 | 172.1 | -74.8 | -178.5 | 179 | 0 | 0 | 112.3 | Q152 I159 R160 | Q152-E156 WeakPolarHBondContact O-CB 3.29Å; Q152-E156 WeakPolarHBondContact O-CG 3.39Å; Q152-E156 PolarHBondContact O-N 2.69Å; E156-I159 PolarHBondContact O-N 3Å; E156-R160 VanDerWaalsContact O-CB 3.23Å; E156-R160 WeakPolarHBondContact O-CB 3.36Å; E156-R160 PolarHBondContact O-N 2.91Å |
| 157 | E | 74.8 | Confident | 73.7 | Confident | 120 Ų | 120 | 123.6 Ų | 123.6 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.3 | -37 | 173.7 | -79.2 | -176.5 | -178.9 | 0 | 0 | 112.2 | K153 A154 R160 M161 | K153-E157 WeakPolarHBondContact O-CB 3.46Å; K153-E157 WeakPolarHBondContact O-CG 3.39Å; K153-E157 PolarHBondContact O-N 3.42Å; A154-E157 PolarHBondContact O-N 2.86Å; E157-R160 PolarHBondContact O-N 3.28Å; E157-M161 WeakPolarHBondContact O-CB 3.32Å; E157-M161 PolarHBondContact O-N 3Å |
| 158 | R | 78.6 | Confident | 72.7 | Confident | 181 Ų | 181 | 118.6 Ų | 118.6 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.4 | -46 | 172.6 | -86.2 | -156.5 | 71.1 | 161.3 | 1.2 | 112.2 | A154 E155 R160 M161 E162 | A154-R158 PolarHBondContact O-N 3.27Å; E155-R158 PolarHBondContact O-N 3.45Å; R158-R160 VanDerWaalsContact C-N 3.3Å; R158-R160 PolarHBondContact O-N 3.42Å; R158-M161 PolarHBondContact O-N 3.19Å; R158-E162 WeakPolarHBondContact O-CB 3.04Å; R158-E162 PolarHBondContact O-N 2.94Å |
| 159 | I | 75.9 | Confident | 72.1 | Confident | 101 Ų | 101 | 117.1 Ų | 117.1 | 52% | 0.518 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.4 | -41.1 | 176.9 | -67.2 | 164.9 | 0 | 0 | 0 | 109.7 | E155 E156 M161 E162 N163 | E155-I159 HydrophobicContact CG-CD1 4.3Å; E155-I159 VanDerWaalsContact O-CG1 3.29Å; E155-I159 WeakPolarHBondContact O-CG1 3.41Å; E155-I159 PolarHBondContact O-N 3.43Å; E156-I159 PolarHBondContact O-N 3Å; I159-M161 PolarHBondContact O-N 3.04Å; I159-E162 PolarHBondContact O-N 3.24Å; I159-N163 VanDerWaalsContact O-CB 3.28Å; I159-N163 WeakPolarHBondContact O-CB 3.44Å; I159-N163 PolarHBondContact O-N 3.01Å |
| 160 | R | 75.8 | Confident | 71.1 | Confident | 179 Ų | 179 | 117.5 Ų | 117.5 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.5 | -42 | 175.9 | -171.8 | 177.2 | -177.5 | -173.5 | 1.1 | 111.6 | E156 E157 R158 N163 I164 | E156-R160 VanDerWaalsContact O-CB 3.23Å; E156-R160 WeakPolarHBondContact O-CB 3.36Å; E156-R160 PolarHBondContact O-N 2.91Å; E157-R160 PolarHBondContact O-N 3.28Å; R158-R160 VanDerWaalsContact C-N 3.3Å; R158-R160 PolarHBondContact O-N 3.42Å; R160-N163 PolarHBondContact O-N 2.66Å; R160-I164 HydrophobicContact CG-CD1 4.15Å; R160-I164 WeakPolarHBondContact O-CB 3.42Å; R160-I164 VanDerWaalsContact O-CG1 3.23Å; R160-I164 WeakPolarHBondContact O-CG1 3.37Å; R160-I164 PolarHBondContact O-N 2.72Å |
| 161 | M | 66.9 | Low | 70.1 | Confident | 126 Ų | 126 | 116.4 Ų | 116.4 | 62% | 0.621 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.3 | -40.9 | 176.6 | -165.7 | 178.3 | 72.7 | 0 | 0 | 111.8 | E157 R158 I159 N163 I164 L165 | E157-M161 WeakPolarHBondContact O-CB 3.32Å; E157-M161 PolarHBondContact O-N 3Å; R158-M161 PolarHBondContact O-N 3.19Å; I159-M161 PolarHBondContact O-N 3.04Å; M161-N163 VanDerWaalsContact C-N 3.35Å; M161-N163 PolarHBondContact O-N 3.39Å; M161-I164 PolarHBondContact O-N 3.3Å; M161-L165 WeakPolarHBondContact O-CB 3.38Å; M161-L165 PolarHBondContact O-N 3.29Å |
| 162 | E | 70.9 | Confident | 69 | Low | 126 Ų | 126 | 117.4 Ų | 117.4 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.8 | -38.9 | 175.3 | -175.9 | 175.7 | -179 | 0 | 0 | 111.9 | R158 I159 L165 S166 | R158-E162 WeakPolarHBondContact O-CB 3.04Å; R158-E162 PolarHBondContact O-N 2.94Å; I159-E162 PolarHBondContact O-N 3.24Å; E162-L165 PolarHBondContact O-N 2.58Å; E162-S166 VanDerWaalsContact O-CB 3.26Å; E162-S166 WeakPolarHBondContact O-CB 3.25Å; E162-S166 PolarHBondContact O-N 3.18Å; E162-S166 PolarHBondContact O-OG 3.3Å |
| 163 | N | 70.8 | Confident | 67.8 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 61% | 0.61 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.2 | -31 | 177.9 | -148.8 | 23.9 | 0 | 0 | 0 | 112 | I159 R160 M161 G167 | I159-N163 VanDerWaalsContact O-CB 3.28Å; I159-N163 WeakPolarHBondContact O-CB 3.44Å; I159-N163 PolarHBondContact O-N 3.01Å; R160-N163 PolarHBondContact O-N 2.66Å; M161-N163 VanDerWaalsContact C-N 3.35Å; M161-N163 PolarHBondContact O-N 3.39Å; N163-G167 VanDerWaalsContact O-CA 3.26Å; N163-G167 WeakPolarHBondContact O-CA 3.45Å; N163-G167 PolarHBondContact O-N 3.19Å |
| 164 | I | 65.8 | Low | 66.4 | Low | 123 Ų | 123 | 119.5 Ų | 119.5 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.6 | -37.2 | 170.3 | -70.2 | 167.5 | 0 | 0 | 0 | 111 | R160 M161 | R160-I164 HydrophobicContact CG-CD1 4.15Å; R160-I164 WeakPolarHBondContact O-CB 3.42Å; R160-I164 VanDerWaalsContact O-CG1 3.23Å; R160-I164 WeakPolarHBondContact O-CG1 3.37Å; R160-I164 PolarHBondContact O-N 2.72Å; M161-I164 PolarHBondContact O-N 3.3Å |
| 165 | L | 61.8 | Low | 64.6 | Low | 143 Ų | 143 | 119.9 Ų | 119.9 | 75% | 0.749 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.6 | -37.4 | -180 | -146.1 | 85.9 | 0 | 0 | 0 | 112.6 | M161 E162 | M161-L165 WeakPolarHBondContact O-CB 3.38Å; M161-L165 PolarHBondContact O-N 3.29Å; E162-L165 PolarHBondContact O-N 2.58Å |
| 166 | S | 60.8 | Low | 63.2 | Low | 80 Ų | 80 | 120.1 Ų | 120.1 | 56% | 0.559 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -92.2 | -15.3 | -179.4 | 65 | 0 | 0 | 0 | 0 | 114 | E162 N168 | E162-S166 VanDerWaalsContact O-CB 3.26Å; E162-S166 WeakPolarHBondContact O-CB 3.25Å; E162-S166 PolarHBondContact O-N 3.18Å; E162-S166 PolarHBondContact O-OG 3.3Å; S166-N168 PolarHBondContact O-N 2.92Å |
| 167 | G | 59.6 | Low | 61.6 | Low | 52 Ų | 52 | 118.2 Ų | 118.2 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -77 | 1.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N163 P169 | N163-G167 VanDerWaalsContact O-CA 3.26Å; N163-G167 WeakPolarHBondContact O-CA 3.45Å; N163-G167 PolarHBondContact O-N 3.19Å; G167-P169 WeakPolarHBondContact O-CD 3.48Å |
| 168 | N | 60.8 | Low | 60.3 | Low | 68 Ų | 68 | 119.4 Ų | 119.4 | 36% | 0.364 | 66% | 0.658 | S | S | . | * | trans | -100.3 | 97 | 177.1 | -167.5 | -12.6 | 0 | 0 | 0 | 111.6 | S166 L170 L171 | S166-N168 PolarHBondContact O-N 2.92Å; N168-L170 PolarHBondContact O-N 3.48Å; N168-L170 VanDerWaalsContact O-N 3.1Å; N168-L170 WeakPolarHBondContact OD1-CB 3.33Å; N168-L170 PolarHBondContact OD1-N 3.49Å; N168-L170 VanDerWaalsContact OD1-N 3.16Å; N168-L171 HydrophobicContact CB-CD1 4.39Å; N168-L171 PolarHBondContact O-N 3.47Å | ||
| 169 | P | 64.4 | Low | 59 | Low | 100 Ų | 100 | 116.4 Ų | 116.4 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -3.1 | -178.5 | 29.9 | -36.8 | 0 | 0 | 0 | 114.4 | G167 L173 | G167-P169 WeakPolarHBondContact O-CD 3.48Å; P169-L173 WeakPolarHBondContact O-CD1 3.25Å |
| 170 | L | 58.3 | Low | 57.7 | Low | 146 Ų | 146 | 118.3 Ų | 118.3 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -15.4 | 177.8 | -74.3 | 154.5 | 0 | 0 | 0 | 113.8 | N168 | N168-L170 PolarHBondContact O-N 3.48Å; N168-L170 VanDerWaalsContact O-N 3.1Å; N168-L170 WeakPolarHBondContact OD1-CB 3.33Å; N168-L170 PolarHBondContact OD1-N 3.49Å; N168-L170 VanDerWaalsContact OD1-N 3.16Å |
| 171 | L | 55.2 | Low | 56.6 | Low | 120 Ų | 120 | 113.8 Ų | 113.8 | 63% | 0.628 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -7.4 | -177.9 | -80.3 | 164.8 | 0 | 0 | 0 | 114.6 | N168 | N168-L171 HydrophobicContact CB-CD1 4.39Å; N168-L171 PolarHBondContact O-N 3.47Å |
| 172 | N | 55.6 | Low | 55.8 | Low | 148 Ų | 148 | 114.6 Ų | 114.6 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 15.9 | -179.6 | -76.7 | -3 | 0 | 0 | 0 | 114.5 | ||
| 173 | L | 53 | Low | 54.8 | Low | 138 Ų | 138 | 118.2 Ų | 118.2 | 72% | 0.723 | 69% | 0.691 | S | S | * | * | trans | -105.6 | 0.5 | -177.5 | -88.8 | 86.5 | 0 | 0 | 0 | 115.7 | P169 | P169-L173 WeakPolarHBondContact O-CD1 3.25Š| ||
| 174 | T | 49.8 | Very low | 54.4 | Low | 135 Ų | 135 | 121.2 Ų | 121.2 | 83% | 0.828 | 70% | 0.698 | S | S | * | * | trans | -110.9 | 55.5 | -173.8 | 52.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 175 | G | 44 | Very low | 54.1 | Low | 61 Ų | 61 | 120.5 Ų | 120.5 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -128.1 | 134.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 176 | P | 47.7 | Very low | 54.2 | Low | 131 Ų | 131 | 123.4 Ų | 123.4 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | trans | -79 | 138.8 | -163.5 | 31.4 | -33.3 | 0 | 0 | 0 | 112.8 | ||||
| 177 | A | 44.3 | Very low | 54.6 | Low | 90 Ų | 90 | 126.9 Ų | 126.9 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | 54.9 | 106.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 178 | Q | 46.3 | Very low | 55.2 | Low | 145 Ų | 145 | 133.1 Ų | 133.1 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | -179.1 | 133.6 | 118.2 | -91.7 | -68.8 | -37.7 | 0 | 0 | 109 | Q180 | Q178-Q180 HydrophobicContact CB-CG 4.48Å; Q178-Q180 PolarHBondContact O-N 3.06Å | |||
| 179 | P | 51.6 | Low | 56 | Low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -76.5 | 80.9 | 169.9 | 33.6 | -31.3 | 0 | 0 | 0 | 108.3 | A181 | P179-A181 VanDerWaalsContact C-N 3.27Å; P179-A181 PolarHBondContact O-N 3.1Å | ||
| 180 | Q | 48.8 | Very low | 56.4 | Low | 142 Ų | 142 | 138.7 Ų | 138.7 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | trans | -72.2 | 94.6 | 164 | -65 | -62.3 | -40.3 | 0 | 0 | 106.7 | Q178 N182 | Q178-Q180 HydrophobicContact CB-CG 4.48Å; Q178-Q180 PolarHBondContact O-N 3.06Å; Q180-N182 PolarHBondContact O-N 3.46Å | ||
| 181 | A | 52 | Low | 57.4 | Low | 84 Ų | 84 | 134.9 Ų | 134.9 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | trans | -50.8 | 100 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | P179 F183 | P179-A181 VanDerWaalsContact C-N 3.27Å; P179-A181 PolarHBondContact O-N 3.1Å; A181-F183 VanDerWaalsContact C-N 3.29Å; A181-F183 PolarHBondContact O-N 2.88Å | ||
| 182 | N | 49.7 | Very low | 58.6 | Low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | trans | -57.7 | 97 | 171.2 | -80.4 | -50.6 | 0 | 0 | 0 | 107 | Q180 K184 | Q180-N182 PolarHBondContact O-N 3.46Å; N182-K184 PolarHBondContact O-N 3.39Å | ||
| 183 | F | 50.3 | Low | 60.1 | Low | 201 Ų | 201 | 132 Ų | 132 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | trans | -71.2 | 34 | 169.2 | -128.3 | -88 | 0 | 0 | 0 | 110.9 | A181 V185 | A181-F183 VanDerWaalsContact C-N 3.29Å; A181-F183 PolarHBondContact O-N 2.88Å; F183-V185 PolarHBondContact O-N 3.29Å | ||
| 184 | K | 62.3 | Low | 61.8 | Low | 177 Ų | 177 | 131.6 Ų | 131.6 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | trans | -82 | 100.2 | 169.5 | -152.5 | 158.7 | -172.2 | 177.2 | 0 | 104.2 | N182 K186 | N182-K184 PolarHBondContact O-N 3.39Å; K184-K186 VanDerWaalsContact C-N 3.31Å; K184-K186 WeakPolarHBondContact O-CA 3.32Å; K184-K186 PolarHBondContact O-N 3.3Å | ||
| 185 | V | 60.4 | Low | 63.5 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 66% | 0.655 | 69% | 0.686 | S | S | * | * | trans | -44.1 | 98.5 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 108 | F183 R187 | F183-V185 PolarHBondContact O-N 3.29Å; V185-R187 WeakPolarHBondContact CG1-O 3.32Å; V185-R187 PolarHBondContact O-N 3.12Å | ||
| 186 | K | 63.3 | Low | 65.5 | Low | 205 Ų | 205 | 134.3 Ų | 134.3 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -76.4 | -20.6 | -168.4 | -152.8 | 163.1 | -175.8 | 167.7 | 0 | 111 | K184 | K184-K186 VanDerWaalsContact C-N 3.31Å; K184-K186 WeakPolarHBondContact O-CA 3.32Å; K184-K186 PolarHBondContact O-N 3.3Å |
| 187 | R | 69.5 | Low | 67.2 | Low | 152 Ų | 152 | 133.6 Ų | 133.6 | 57% | 0.574 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -139.7 | 124.3 | 172.8 | -70.7 | 177.3 | 40.6 | 93.1 | -13.1 | 108.2 | V185 D191 | V185-R187 WeakPolarHBondContact CG1-O 3.32Å; V185-R187 PolarHBondContact O-N 3.12Å; R187-D191 HydrophobicContact CB-CB 4.2Å; R187-D191 VanDerWaalsContact CG-OD2 3.25Å; R187-D191 WeakPolarHBondContact CG-OD2 3.45Å; R187-D191 IonicContact CZ-OD2 3.35Å; R187-D191 IonicContact NE-OD2 3.7Å; R187-D191 IonicContact NH1-OD2 2.67Å; R187-D191 PolarHBondContact NH1-OD2 3.23Å |
| 188 | R | 71.3 | Confident | 69.1 | Low | 184 Ų | 184 | 134.4 Ų | 134.4 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | trans | -70.5 | 155.3 | 176.3 | -53.6 | 178.6 | 73.3 | 101.5 | -0.3 | 108.2 | D190 D191 | R188-D190 PolarHBondContact O-N 3.5Å; R188-D190 VanDerWaalsContact O-N 3.16Å; R188-D191 WeakPolarHBondContact O-CB 3.39Å; R188-D191 PolarHBondContact O-N 2.92Å | ||
| 189 | W | 78.1 | Confident | 70.9 | Confident | 222 Ų | 222 | 130.7 Ų | 130.7 | 84% | 0.841 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -56.8 | -30 | 175.1 | 65.6 | -85 | 0 | 0 | 0 | 112.3 | D191 | W189-D191 VanDerWaalsContact C-N 3.28Å; W189-D191 PolarHBondContact O-N 2.84Å |
| 190 | D | 74.2 | Confident | 72.6 | Confident | 62 Ų | 62 | 133.2 Ų | 133.2 | 33% | 0.332 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -77.7 | 0.2 | 173.4 | -67.3 | -53.4 | 0 | 0 | 0 | 114.9 | R188 D192 V193 K196 | R188-D190 PolarHBondContact O-N 3.5Å; R188-D190 VanDerWaalsContact O-N 3.16Å; D190-D192 VanDerWaalsContact C-N 3.33Å; D190-V193 WeakPolarHBondContact O-CG2 3.47Å; D190-K196 PolarHBondContact O-NZ 3.03Å |
| 191 | D | 77.6 | Confident | 74.2 | Confident | 66 Ų | 66 | 130.2 Ų | 130.2 | 35% | 0.353 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -73.4 | -28.1 | -174.3 | -161.5 | 27.4 | 0 | 0 | 0 | 112 | R187 R188 W189 V193 K196 | R187-D191 HydrophobicContact CB-CB 4.2Å; R187-D191 VanDerWaalsContact CG-OD2 3.25Å; R187-D191 WeakPolarHBondContact CG-OD2 3.45Å; R187-D191 IonicContact CZ-OD2 3.35Å; R187-D191 IonicContact NE-OD2 3.7Å; R187-D191 IonicContact NH1-OD2 2.67Å; R187-D191 PolarHBondContact NH1-OD2 3.23Å; R188-D191 WeakPolarHBondContact O-CB 3.39Å; R188-D191 PolarHBondContact O-N 2.92Å; W189-D191 VanDerWaalsContact C-N 3.28Å; W189-D191 PolarHBondContact O-N 2.84Å; D191-V193 PolarHBondContact O-N 2.98Å; D191-K196 PolarHBondContact O-NZ 3.3Å |
| 192 | D | 82.2 | Confident | 75.7 | Confident | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -95.7 | 58 | 176.4 | -159.4 | 16.6 | 0 | 0 | 0 | 112.2 | D190 | D190-D192 VanDerWaalsContact C-N 3.33Š|
| 193 | V | 86.5 | Confident | 77 | Confident | 69 Ų | 69 | 126.8 Ų | 126.8 | 42% | 0.418 | 63% | 0.633 | S | S | . | * | trans | -119.4 | 129.4 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | D190 D191 F195 K196 | D190-V193 WeakPolarHBondContact O-CG2 3.47Å; D191-V193 PolarHBondContact O-N 2.98Å; V193-F195 WeakPolarHBondContact CG1-O 3.42Å; V193-F195 PolarHBondContact O-N 2.94Å; V193-K196 WeakPolarHBondContact O-CE 3.35Å | ||
| 194 | V | 87.3 | Confident | 78 | Confident | 130 Ų | 130 | 123.9 Ų | 123.9 | 79% | 0.788 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -65.2 | -20.5 | -173.6 | -65.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 195 | F | 86.3 | Confident | 78.3 | Confident | 156 Ų | 156 | 118.3 Ų | 118.3 | 68% | 0.684 | 60% | 0.603 | S | S | * | * | trans | -122.1 | 129.2 | 176.7 | -60.8 | -65.3 | 0 | 0 | 0 | 111 | V193 | V193-F195 WeakPolarHBondContact CG1-O 3.42Å; V193-F195 PolarHBondContact O-N 2.94Å | ||
| 196 | K | 86.4 | Confident | 78.7 | Confident | 98 Ų | 98 | 119.2 Ų | 119.2 | 43% | 0.426 | 60% | 0.599 | S | S | . | * | trans | -120.4 | 139.5 | 177.2 | -55.9 | -62.2 | -172.6 | 179.5 | 0 | 109.6 | D190 D191 V193 C198 | D190-K196 PolarHBondContact O-NZ 3.03Å; D191-K196 PolarHBondContact O-NZ 3.3Å; V193-K196 WeakPolarHBondContact O-CE 3.35Å; K196-C198 VanDerWaalsContact C-N 3.29Å; K196-C198 PolarHBondContact O-N 3.44Å; K196-C198 VanDerWaalsContact O-N 3.11Å | ||
| 197 | N | 84.1 | Confident | 78.9 | Confident | 116 Ų | 116 | 114.9 Ų | 114.9 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | trans | 57.2 | 30.3 | 163.2 | -62.9 | 70.2 | 0 | 0 | 0 | 116.1 | A199 K200 | N197-A199 PolarHBondContact O-N 3.01Å; N197-K200 HydrophobicContact CB-CB 3.97Å; N197-K200 HydrophobicContact CB-CD 4.33Å; N197-K200 WeakPolarHBondContact O-CB 3.37Å; N197-K200 PolarHBondContact O-N 3.48Å | ||
| 198 | C | 83.9 | Confident | 79.2 | Confident | 106 Ų | 106 | 112.5 Ų | 112.5 | 72% | 0.716 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -27.8 | -176.2 | -58.3 | 0 | 0 | 0 | 0 | 114.9 | K196 | K196-C198 VanDerWaalsContact C-N 3.29Å; K196-C198 PolarHBondContact O-N 3.44Å; K196-C198 VanDerWaalsContact O-N 3.11Å |
| 199 | A | 83.2 | Confident | 79.8 | Confident | 68 Ų | 68 | 111.6 Ų | 111.6 | 56% | 0.562 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 14.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N197 G201 I202 | N197-A199 PolarHBondContact O-N 3.01Å; A199-G201 PolarHBondContact O-N 3.06Å; A199-G201 VanDerWaalsContact O-N 3.12Å; A199-I202 HydrophobicContact CB-CD1 3.85Å; A199-I202 HydrophobicContact CB-CG1 4.45Å; A199-I202 PolarHBondContact O-N 2.87Å |
| 200 | K | 86.5 | Confident | 80.4 | Confident | 171 Ų | 171 | 109.3 Ų | 109.3 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 115.9 | -178.6 | -171.7 | -176.7 | -174.6 | 179.7 | 0 | 109.9 | N197 | N197-K200 HydrophobicContact CB-CB 3.97Å; N197-K200 HydrophobicContact CB-CD 4.33Å; N197-K200 WeakPolarHBondContact O-CB 3.37Å; N197-K200 PolarHBondContact O-N 3.48Å |
| 201 | G | 83.2 | Confident | 81.3 | Confident | 78 Ų | 78 | 115 Ų | 115 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.3 | 10.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A199 D203 | A199-G201 PolarHBondContact O-N 3.06Å; A199-G201 VanDerWaalsContact O-N 3.12Å; G201-D203 PolarHBondContact O-N 3.27Å |
| 202 | I | 82.7 | Confident | 82.1 | Confident | 106 Ų | 106 | 114.5 Ų | 114.5 | 54% | 0.544 | 59% | 0.592 | S | S | . | * | trans | -72.2 | 109.6 | 171.1 | -60.5 | -179.6 | 0 | 0 | 0 | 108.8 | A199 E204 | A199-I202 HydrophobicContact CB-CD1 3.85Å; A199-I202 HydrophobicContact CB-CG1 4.45Å; A199-I202 PolarHBondContact O-N 2.87Å; I202-E204 HydrophobicContact CG2-CG 4.15Å | ||
| 203 | D | 77.1 | Confident | 82.8 | Confident | 50 Ų | 50 | 115.3 Ų | 115.3 | 27% | 0.267 | 60% | 0.596 | S | S | . | * | trans | -100.4 | 99.6 | 173.4 | -173.6 | -0.7 | 0 | 0 | 0 | 109.9 | R81 G201 T205 | R81-D203 IonicContact CZ-OD2 3.46Å; R81-D203 IonicContact NH1-OD2 3.3Å; R81-D203 PolarHBondContact NH1-OD2 2.86Å; R81-D203 IonicContact NH2-OD2 2.72Å; R81-D203 PolarHBondContact NH2-OD2 3.34Å; G201-D203 PolarHBondContact O-N 3.27Å; D203-T205 VanDerWaalsContact CG-OG1 3.23Å; D203-T205 PolarHBondContact O-N 3.49Å; D203-T205 WeakPolarHBondContact OD1-CB 3.45Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.44Å; D203-T205 PolarHBondContact OD1-N 3.42Å; D203-T205 PolarHBondContact OD1-OG1 2.84Å; D203-T205 PolarHBondContact OD2-OG1 3.43Å | ||
| 204 | E | 72.4 | Confident | 83.2 | Confident | 139 Ų | 139 | 114 Ų | 114 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -68.4 | -18.6 | -177.9 | -60.6 | -167.7 | 154.2 | 0 | 0 | 113 | I202 K206 K207 | I202-E204 HydrophobicContact CG2-CG 4.15Å; E204-K206 PolarHBondContact O-N 2.88Å; E204-K207 PolarHBondContact O-N 2.84Å; E204-K207 VanDerWaalsContact O-N 3.17Å |
| 205 | T | 67.9 | Low | 83.6 | Confident | 60 Ų | 60 | 113.5 Ų | 113.5 | 37% | 0.368 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -64.2 | -15.8 | -175.6 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | D203 K209 | D203-T205 VanDerWaalsContact CG-OG1 3.23Å; D203-T205 PolarHBondContact O-N 3.49Å; D203-T205 WeakPolarHBondContact OD1-CB 3.45Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.44Å; D203-T205 PolarHBondContact OD1-N 3.42Å; D203-T205 PolarHBondContact OD1-OG1 2.84Å; D203-T205 PolarHBondContact OD2-OG1 3.43Å; T205-K209 WeakPolarHBondContact O-CG 3.23Å |
| 206 | K | 68.8 | Low | 84.1 | Confident | 128 Ų | 128 | 111.3 Ų | 111.3 | 56% | 0.557 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -81.7 | -23.4 | -179.7 | -65.9 | -178.8 | -177.1 | 176.5 | 0 | 113.6 | E204 | E204-K206 PolarHBondContact O-N 2.88Š|
| 207 | K | 68.1 | Low | 84.4 | Confident | 114 Ų | 114 | 114.5 Ų | 114.5 | 50% | 0.496 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -43.2 | 179.3 | -66.3 | 178.4 | -176.3 | 171.4 | 0 | 110.4 | E204 K209 R210 | E204-K207 PolarHBondContact O-N 2.84Å; E204-K207 VanDerWaalsContact O-N 3.17Å; K207-K209 VanDerWaalsContact C-N 3.27Å; K207-K209 PolarHBondContact O-N 3.24Å; K207-R210 PolarHBondContact O-N 3.33Å |
| 208 | D | 76 | Confident | 84.9 | Confident | 101 Ų | 101 | 110.1 Ų | 110.1 | 54% | 0.54 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.6 | -19.2 | -176.5 | -68.6 | -14.5 | 0 | 0 | 0 | 114.5 | K223 | D208-K223 VanDerWaalsContact CG-NZ 3.32Å; D208-K223 WeakPolarHBondContact OD1-CE 3.36Å; D208-K223 IonicContact OD1-NZ 3.39Å; D208-K223 PolarHBondContact OD1-NZ 3.11Å; D208-K223 IonicContact OD2-NZ 2.69Å; D208-K223 PolarHBondContact OD2-NZ 2.73Å |
| 209 | K | 84.4 | Confident | 85.3 | Confident | 165 Ų | 165 | 107.3 Ų | 107.3 | 72% | 0.717 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.4 | 178.9 | -67.2 | 177.5 | -175 | -176.5 | 0 | 113.7 | T205 K207 | T205-K209 WeakPolarHBondContact O-CG 3.23Å; K207-K209 VanDerWaalsContact C-N 3.27Å; K207-K209 PolarHBondContact O-N 3.24Å |
| 210 | R | 90.1 | Very high | 85.9 | Confident | 175 Ų | 175 | 111.7 Ų | 111.7 | 66% | 0.66 | 55% | 0.55 | S | S | * | . | trans | -86.9 | 117.3 | -178.2 | -69.9 | 171.4 | 178.4 | 172.9 | -1.7 | 109.5 | K207 | K207-R210 PolarHBondContact O-N 3.33Š| ||
| 211 | F | 93.1 | Very high | 86.4 | Confident | 182 Ų | 182 | 105.4 Ų | 105.4 | 80% | 0.798 | 52% | 0.523 | S | S | * | . | trans | -85.4 | 128.9 | 166.5 | -178.1 | -100.3 | 0 | 0 | 0 | 109.8 | N213 | F211-N213 HydrophobicContact CE1-CB 4.14Š| ||
| 212 | V | 94.7 | Very high | 86.9 | Confident | 54 Ų | 54 | 106.5 Ų | 106.5 | 33% | 0.327 | 51% | 0.505 | S | S | . | . | trans | -120.5 | 120.8 | 175.8 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | D214 | V212-D214 HydrophobicContact CG1-CB 3.74Å; V212-D214 PolarHBondContact O-N 3Å | ||
| 213 | N | 96 | Very high | 87.4 | Confident | 155 Ų | 155 | 106.1 Ų | 106.1 | 83% | 0.829 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -79.2 | 61.3 | 174.1 | -169.5 | 18.2 | 0 | 0 | 0 | 110.7 | F211 | F211-N213 HydrophobicContact CE1-CB 4.14Š|
| 214 | D | 96.1 | Very high | 88.4 | Confident | 42 Ų | 42 | 107.9 Ų | 107.9 | 23% | 0.225 | 51% | 0.505 | C | S | . | . | trans | -149.9 | 123.4 | 178.7 | -177.3 | -32 | 0 | 0 | 0 | 108.1 | V212 L216 R217 S218 | V212-D214 HydrophobicContact CG1-CB 3.74Å; V212-D214 PolarHBondContact O-N 3Å; D214-L216 VanDerWaalsContact C-N 3.28Å; D214-L216 PolarHBondContact O-N 3.5Å; D214-L216 PolarHBondContact OD1-N 3.49Å; D214-R217 HydrophobicContact CB-CB 4.12Å; D214-R217 PolarHBondContact OD1-N 3.28Å; D214-R217 VanDerWaalsContact OD1-N 3.11Å; D214-R217 WeakPolarHBondContact OD2-CB 3.39Å; D214-R217 VanDerWaalsContact OD2-CD 3.25Å; D214-R217 WeakPolarHBondContact OD2-CD 3.49Å; D214-R217 VanDerWaalsContact OD2-CG 3.28Å; D214-R217 WeakPolarHBondContact OD2-CG 3.29Å; D214-R217 IonicContact OD2-CZ 3.51Å; D214-R217 IonicContact OD2-NE 3.87Å; D214-R217 IonicContact OD2-NH1 2.78Å; D214-R217 PolarHBondContact OD2-NH1 2.59Å; D214-S218 WeakPolarHBondContact O-CB 3.23Å; D214-S218 PolarHBondContact O-N 3.31Å; D214-S218 VanDerWaalsContact O-N 3.1Å | ||
| 215 | T | 95.6 | Very high | 89.6 | Confident | 119 Ų | 119 | 104.3 Ų | 104.3 | 73% | 0.73 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.4 | -175 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | H221 | T215-H221 WeakPolarHBondContact O-CB 3.4Å; T215-H221 PolarHBondContact O-ND1 2.88Å; T215-H221 VanDerWaalsContact O-ND1 3.15Å |
| 216 | L | 94.9 | Very high | 90.9 | Very high | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -31.9 | -178.7 | -60.4 | -179.3 | 0 | 0 | 0 | 112.3 | D214 H221 | D214-L216 VanDerWaalsContact C-N 3.28Å; D214-L216 PolarHBondContact O-N 3.5Å; D214-L216 PolarHBondContact OD1-N 3.49Å; L216-H221 PolarHBondContact O-CD2 3.21Å |
| 217 | R | 93.9 | Very high | 92.3 | Very high | 166 Ų | 166 | 110.3 Ų | 110.3 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -9.2 | -176.5 | -60.2 | -174.9 | -178.2 | 86.6 | -0.9 | 114.2 | D214 K222 | D214-R217 HydrophobicContact CB-CB 4.12Å; D214-R217 PolarHBondContact OD1-N 3.28Å; D214-R217 VanDerWaalsContact OD1-N 3.11Å; D214-R217 WeakPolarHBondContact OD2-CB 3.39Å; D214-R217 VanDerWaalsContact OD2-CD 3.25Å; D214-R217 WeakPolarHBondContact OD2-CD 3.49Å; D214-R217 VanDerWaalsContact OD2-CG 3.28Å; D214-R217 WeakPolarHBondContact OD2-CG 3.29Å; D214-R217 IonicContact OD2-CZ 3.51Å; D214-R217 IonicContact OD2-NE 3.87Å; D214-R217 IonicContact OD2-NH1 2.78Å; D214-R217 PolarHBondContact OD2-NH1 2.59Å; R217-K222 WeakPolarHBondContact O-CE 3.39Å; R217-K222 PolarHBondContact O-NZ 2.81Å |
| 218 | S | 95.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 111.9 Ų | 111.9 | 17% | 0.168 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -57.3 | 142.3 | 171.8 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | D214 F220 H221 K222 | D214-S218 WeakPolarHBondContact O-CB 3.23Å; D214-S218 PolarHBondContact O-N 3.31Å; D214-S218 VanDerWaalsContact O-N 3.1Å; S218-F220 PolarHBondContact O-N 2.81Å; S218-F220 PolarHBondContact OG-N 3.33Å; S218-H221 PolarHBondContact O-N 2.67Å; S218-K222 PolarHBondContact O-N 3.16Å; S218-K222 VanDerWaalsContact O-N 3.07Å |
| 219 | E | 92.6 | Very high | 94.5 | Very high | 47 Ų | 47 | 112.4 Ų | 112.4 | 22% | 0.22 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -57.2 | -29.3 | 173.9 | -62.9 | -59.5 | 126.7 | 0 | 0 | 111.4 | K222 K223 | E219-K222 IonicContact OE1-NZ 3.66Å; E219-K222 PolarHBondContact OE1-NZ 3.1Å; E219-K223 WeakPolarHBondContact O-CB 3.5Å; E219-K223 VanDerWaalsContact O-CG 3.29Å; E219-K223 WeakPolarHBondContact O-CG 3.26Å; E219-K223 PolarHBondContact O-N 2.89Å |
| 220 | F | 95.1 | Very high | 94.5 | Very high | 159 Ų | 159 | 117.8 Ų | 117.8 | 70% | 0.697 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.2 | -49.1 | 171.9 | 174.9 | -97.6 | 0 | 0 | 0 | 111.8 | S218 F224 | S218-F220 PolarHBondContact O-N 2.81Å; S218-F220 PolarHBondContact OG-N 3.33Å; F220-F224 WeakPolarHBondContact O-CB 3.28Å; F220-F224 PolarHBondContact O-N 2.69Å |
| 221 | H | 95.7 | Very high | 94.7 | Very high | 40 Ų | 40 | 114.9 Ų | 114.9 | 19% | 0.185 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -71.3 | -38.3 | -177.7 | -171.5 | 85.7 | 0 | 0 | 0 | 112.2 | T215 L216 S218 F224 M225 | T215-H221 WeakPolarHBondContact O-CB 3.4Å; T215-H221 PolarHBondContact O-ND1 2.88Å; T215-H221 VanDerWaalsContact O-ND1 3.15Å; L216-H221 PolarHBondContact O-CD2 3.21Å; S218-H221 PolarHBondContact O-N 2.67Å; H221-F224 WeakPolarHBondContact O-CB 3.37Å; H221-F224 PolarHBondContact O-N 2.87Å; H221-M225 WeakPolarHBondContact CE1-CE 3.13Å; H221-M225 VanDerWaalsContact NE2-CE 3.35Å; H221-M225 WeakPolarHBondContact NE2-CE 3.42Å; H221-M225 WeakPolarHBondContact O-CG 3.25Å; H221-M225 PolarHBondContact O-N 3.4Å |
| 222 | K | 94.3 | Very high | 94.8 | Very high | 100 Ų | 100 | 111.4 Ų | 111.4 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -50.2 | 174.3 | -65.8 | 177.7 | -170.5 | 163.4 | 0 | 111.3 | R217 S218 E219 F224 M225 E226 | R217-K222 WeakPolarHBondContact O-CE 3.39Å; R217-K222 PolarHBondContact O-NZ 2.81Å; S218-K222 PolarHBondContact O-N 3.16Å; S218-K222 VanDerWaalsContact O-N 3.07Å; E219-K222 IonicContact OE1-NZ 3.66Å; E219-K222 PolarHBondContact OE1-NZ 3.1Å; K222-F224 VanDerWaalsContact C-N 3.3Å; K222-F224 PolarHBondContact O-N 3.42Å; K222-M225 PolarHBondContact O-N 3.16Å; K222-E226 WeakPolarHBondContact O-CB 3.15Å; K222-E226 PolarHBondContact O-N 2.79Å |
| 223 | K | 94.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 114.6 Ų | 114.6 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 176.3 | -71.1 | -178.7 | -175.8 | -174.6 | 0 | 112.1 | D208 E219 K227 | D208-K223 VanDerWaalsContact CG-NZ 3.32Å; D208-K223 WeakPolarHBondContact OD1-CE 3.36Å; D208-K223 IonicContact OD1-NZ 3.39Å; D208-K223 PolarHBondContact OD1-NZ 3.11Å; D208-K223 IonicContact OD2-NZ 2.69Å; D208-K223 PolarHBondContact OD2-NZ 2.73Å; E219-K223 WeakPolarHBondContact O-CB 3.5Å; E219-K223 VanDerWaalsContact O-CG 3.29Å; E219-K223 WeakPolarHBondContact O-CG 3.26Å; E219-K223 PolarHBondContact O-N 2.89Å; K223-K227 VanDerWaalsContact O-CB 3.25Å; K223-K227 WeakPolarHBondContact O-CB 3.14Å; K223-K227 PolarHBondContact O-N 3.4Å |
| 224 | F | 96.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 112.2 Ų | 112.2 | 38% | 0.377 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 174.8 | 178.8 | -90.6 | 0 | 0 | 0 | 111.1 | F220 H221 K222 K227 Y228 | F220-F224 WeakPolarHBondContact O-CB 3.28Å; F220-F224 PolarHBondContact O-N 2.69Å; H221-F224 WeakPolarHBondContact O-CB 3.37Å; H221-F224 PolarHBondContact O-N 2.87Å; K222-F224 VanDerWaalsContact C-N 3.3Å; K222-F224 PolarHBondContact O-N 3.42Å; F224-K227 PolarHBondContact O-N 2.83Å; F224-Y228 HydrophobicContact CD1-CD2 4.35Å; F224-Y228 AromaticContact CD2-CD2 3.51Å; F224-Y228 HydrophobicContact CD2-CD2 3.51Å; F224-Y228 AromaticContact CD2-CE2 3.57Å; F224-Y228 HydrophobicContact CD2-CE2 3.57Å; F224-Y228 HydrophobicContact CE1-CD2 4.26Å; F224-Y228 AromaticContact CE2-CD2 3.41Å; F224-Y228 HydrophobicContact CE2-CD2 3.41Å; F224-Y228 VanDerWaalsContact CE2-CD2 3.41Å; F224-Y228 AromaticContact CE2-CE2 3.47Å; F224-Y228 HydrophobicContact CE2-CE2 3.47Å; F224-Y228 VanDerWaalsContact CE2-CE2 3.47Å; F224-Y228 HydrophobicContact CE2-CG 4.32Å; F224-Y228 AromaticContact CG-CD2 3.99Å; F224-Y228 HydrophobicContact CG-CD2 3.99Å; F224-Y228 HydrophobicContact CG-CE2 4.43Å; F224-Y228 AromaticContact CZ-CD2 3.81Å; F224-Y228 HydrophobicContact CZ-CD2 3.81Å; F224-Y228 HydrophobicContact CZ-CE2 4.28Å; F224-Y228 HydrophobicContact CZ-CG 4.35Å; F224-Y228 VanDerWaalsContact O-CD2 3.25Å; F224-Y228 WeakPolarHBondContact O-CD2 3.26Å; F224-Y228 PolarHBondContact O-N 3.25Å |
| 225 | M | 97.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 116.6 Ų | 116.6 | 32% | 0.32 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | -179.6 | -68.5 | -58.8 | 170.9 | 0 | 0 | 112.2 | H221 K222 K227 Y228 I229 | H221-M225 WeakPolarHBondContact CE1-CE 3.13Å; H221-M225 VanDerWaalsContact NE2-CE 3.35Å; H221-M225 WeakPolarHBondContact NE2-CE 3.42Å; H221-M225 WeakPolarHBondContact O-CG 3.25Å; H221-M225 PolarHBondContact O-N 3.4Å; K222-M225 PolarHBondContact O-N 3.16Å; M225-K227 PolarHBondContact O-N 2.81Å; M225-Y228 PolarHBondContact O-N 2.96Å; M225-I229 WeakPolarHBondContact O-CA 3.46Å; M225-I229 WeakPolarHBondContact O-CB 3.47Å; M225-I229 PolarHBondContact O-N 2.94Å; M225-I229 HydrophobicContact SD-CD1 3.45Å; M225-I229 WeakPolarHBondContact SD-CD1 3.08Å; M225-I229 HydrophobicContact SD-CG1 4.21Å |
| 226 | E | 96.4 | Very high | 94.6 | Very high | 158 Ų | 158 | 116.4 Ų | 116.4 | 74% | 0.738 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.3 | -34.9 | 173.2 | -176.9 | 179.9 | -175.1 | 0 | 0 | 112.5 | K222 | K222-E226 WeakPolarHBondContact O-CB 3.15Å; K222-E226 PolarHBondContact O-N 2.79Å |
| 227 | K | 97.2 | Very high | 94.5 | Very high | 156 Ų | 156 | 116.9 Ų | 116.9 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77.9 | -40.3 | -179.6 | -176.6 | 176.4 | 179.9 | -175.4 | 0 | 113.3 | K223 F224 M225 | K223-K227 VanDerWaalsContact O-CB 3.25Å; K223-K227 WeakPolarHBondContact O-CB 3.14Å; K223-K227 PolarHBondContact O-N 3.4Å; F224-K227 PolarHBondContact O-N 2.83Å; M225-K227 PolarHBondContact O-N 2.81Å |
| 228 | Y | 97.4 | Very high | 94.6 | Very high | 146 Ų | 146 | 113.1 Ų | 113.1 | 57% | 0.573 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -103.5 | -9.7 | -169.6 | -69.5 | -76.6 | 0 | 0 | 0 | 114 | F224 M225 | F224-Y228 HydrophobicContact CD1-CD2 4.35Å; F224-Y228 AromaticContact CD2-CD2 3.51Å; F224-Y228 HydrophobicContact CD2-CD2 3.51Å; F224-Y228 AromaticContact CD2-CE2 3.57Å; F224-Y228 HydrophobicContact CD2-CE2 3.57Å; F224-Y228 HydrophobicContact CE1-CD2 4.26Å; F224-Y228 AromaticContact CE2-CD2 3.41Å; F224-Y228 HydrophobicContact CE2-CD2 3.41Å; F224-Y228 VanDerWaalsContact CE2-CD2 3.41Å; F224-Y228 AromaticContact CE2-CE2 3.47Å; F224-Y228 HydrophobicContact CE2-CE2 3.47Å; F224-Y228 VanDerWaalsContact CE2-CE2 3.47Å; F224-Y228 HydrophobicContact CE2-CG 4.32Å; F224-Y228 AromaticContact CG-CD2 3.99Å; F224-Y228 HydrophobicContact CG-CD2 3.99Å; F224-Y228 HydrophobicContact CG-CE2 4.43Å; F224-Y228 AromaticContact CZ-CD2 3.81Å; F224-Y228 HydrophobicContact CZ-CD2 3.81Å; F224-Y228 HydrophobicContact CZ-CE2 4.28Å; F224-Y228 HydrophobicContact CZ-CG 4.35Å; F224-Y228 VanDerWaalsContact O-CD2 3.25Å; F224-Y228 WeakPolarHBondContact O-CD2 3.26Å; F224-Y228 PolarHBondContact O-N 3.25Å; M225-Y228 PolarHBondContact O-N 2.96Å |
| 229 | I | 94.1 | Very high | 94.6 | Very high | 112 Ų | 112 | 120.5 Ų | 120.5 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | trans | -125.5 | 121.8 | 175.1 | -52.8 | -178.9 | 0 | 0 | 0 | 107.6 | M225 | M225-I229 WeakPolarHBondContact O-CA 3.46Å; M225-I229 WeakPolarHBondContact O-CB 3.47Å; M225-I229 PolarHBondContact O-N 2.94Å; M225-I229 HydrophobicContact SD-CD1 3.45Å; M225-I229 WeakPolarHBondContact SD-CD1 3.08Å; M225-I229 HydrophobicContact SD-CG1 4.21Å | ||
| 230 | K | 83.1 | Confident | 94.7 | Very high | 278 Ų | 278 | 127.2 Ų | 127.2 | 100% | 1.209 | 57% | 0.565 | S | S | * | * | trans | -105.3 | 0 | -177.7 | -171.5 | 173.7 | -176.3 | 177.1 | 0 | 111.5 |
Retrieved 230 of 230 residues in 32.1 ms
(Link to these results)