| 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 | L | 39.5 | Very low | 56.6 | Low | 235 Ų | 235 | 148.6 Ų | 148.6 | 100% | 1.23 | 80% | 0.799 | S | S | * | * | 0 | 95.1 | 0 | -70.4 | 160.6 | 0 | 0 | 0 | 107.9 | |||||
| 2 | R | 40.1 | Very low | 57.6 | Low | 250 Ų | 250 | 147.5 Ų | 147.5 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | trans | -93.1 | 112.6 | -178.5 | -169.4 | 175.6 | -176.6 | -156.6 | 0.7 | 107.6 | A4 | R2-A4 PolarHBondContact O-N 3.44Š| ||
| 3 | G | 45.8 | Very low | 58.1 | Low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -64 | 126.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M5 | G3-M5 PolarHBondContact O-N 3.23Š| ||
| 4 | A | 54.8 | Low | 58.5 | Low | 100 Ų | 100 | 143.1 Ų | 143.1 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -70.5 | 115 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | R2 A6 | R2-A4 PolarHBondContact O-N 3.44Å; A4-A6 PolarHBondContact O-N 2.89Å | ||
| 5 | M | 54.3 | Low | 58.7 | Low | 179 Ų | 179 | 146 Ų | 146 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | -62.4 | 126 | 165.8 | -71.1 | -178.7 | 98 | 0 | 0 | 106.9 | G3 D7 | G3-M5 PolarHBondContact O-N 3.23Å; M5-D7 PolarHBondContact O-N 3.14Å | ||
| 6 | A | 59.1 | Low | 58.7 | Low | 92 Ų | 92 | 142.5 Ų | 142.5 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -44.3 | 125 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A4 S8 | A4-A6 PolarHBondContact O-N 2.89Å; A6-S8 VanDerWaalsContact C-N 3.34Å; A6-S8 PolarHBondContact O-N 2.87Å | ||
| 7 | D | 58.7 | Low | 59.1 | Low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -59.4 | 98.1 | 175.7 | -72.1 | -44.3 | 0 | 0 | 0 | 108.8 | M5 S9 | M5-D7 PolarHBondContact O-N 3.14Å; D7-S9 PolarHBondContact O-N 3.47Å | ||
| 8 | S | 65.1 | Low | 59.3 | Low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 60.1 | -177.3 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | A6 | A6-S8 VanDerWaalsContact C-N 3.34Å; A6-S8 PolarHBondContact O-N 2.87Å | ||
| 9 | S | 67.5 | Low | 59.7 | Low | 41 Ų | 41 | 151.3 Ų | 151.3 | 29% | 0.287 | 77% | 0.768 | S | S | . | * | trans | -157.6 | 48.4 | -170.6 | -77.5 | 0 | 0 | 0 | 0 | 112 | D7 W11 K12 | D7-S9 PolarHBondContact O-N 3.47Å; S9-W11 PolarHBondContact O-N 3.05Å; S9-W11 VanDerWaalsContact O-N 3.13Å; S9-K12 PolarHBondContact O-N 2.92Å; S9-K12 WeakPolarHBondContact OG-CD 3.2Å | ||
| 10 | W | 67.3 | Low | 59.8 | Low | 231 Ų | 231 | 153.1 Ų | 153.1 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -23.8 | 170.3 | 80.8 | -85.3 | 0 | 0 | 0 | 112.5 | ||
| 11 | W | 70.6 | Confident | 59.8 | Low | 166 Ų | 166 | 150.7 Ų | 150.7 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -6.3 | 177.1 | 56.4 | -90.9 | 0 | 0 | 0 | 114.6 | S9 | S9-W11 PolarHBondContact O-N 3.05Å; S9-W11 VanDerWaalsContact O-N 3.13Å |
| 12 | K | 68 | Low | 60.8 | Low | 135 Ų | 135 | 147.8 Ų | 147.8 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 12.8 | -178.7 | -65 | -166.4 | 68.4 | 168.5 | 0 | 115 | S9 | S9-K12 PolarHBondContact O-N 2.92Å; S9-K12 WeakPolarHBondContact OG-CD 3.2Å |
| 13 | L | 64.9 | Low | 61.6 | Low | 128 Ų | 128 | 141 Ų | 141 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -3 | -178 | -71.8 | 171.3 | 0 | 0 | 0 | 114.7 | F15 | L13-F15 PolarHBondContact O-N 2.94Å; L13-F15 VanDerWaalsContact O-N 3.16Å |
| 14 | T | 63.3 | Low | 62.4 | Low | 106 Ų | 106 | 147.2 Ų | 147.2 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -8.5 | -173.6 | 50.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 15 | F | 62.2 | Low | 62.8 | Low | 186 Ų | 186 | 147.3 Ų | 147.3 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 14.3 | 178.7 | -66.8 | -79.9 | 0 | 0 | 0 | 114.5 | L13 R17 | L13-F15 PolarHBondContact O-N 2.94Å; L13-F15 VanDerWaalsContact O-N 3.16Å; F15-R17 PolarHBondContact O-N 3.11Å |
| 16 | S | 58.7 | Low | 63.5 | Low | 90 Ų | 90 | 146.6 Ų | 146.6 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | trans | -68.4 | 80.5 | 169 | -72.1 | 0 | 0 | 0 | 0 | 109.3 | K18 | S16-K18 PolarHBondContact O-N 2.71Å; S16-K18 VanDerWaalsContact O-N 3.07Å | ||
| 17 | R | 65.6 | Low | 63.7 | Low | 232 Ų | 232 | 151.7 Ų | 151.7 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | trans | -64.8 | 104.8 | 178.4 | -177.3 | 179.6 | -72.4 | -105.4 | 0.3 | 108.6 | F15 K19 | F15-R17 PolarHBondContact O-N 3.11Å; R17-K19 PolarHBondContact O-N 3.29Å | ||
| 18 | K | 61.7 | Low | 64.2 | Low | 165 Ų | 165 | 153 Ų | 153 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | trans | 11.7 | 97.8 | 151.6 | -171.1 | 153.1 | 65.2 | -177.2 | 0 | 115 | S16 | S16-K18 PolarHBondContact O-N 2.71Å; S16-K18 VanDerWaalsContact O-N 3.07Å | ||
| 19 | K | 66.8 | Low | 64.5 | Low | 197 Ų | 197 | 154.6 Ų | 154.6 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | trans | -61.6 | 135.4 | 148 | -67.3 | -156 | 83.5 | 176 | 0 | 106.8 | R17 S21 | R17-K19 PolarHBondContact O-N 3.29Å; K19-S21 PolarHBondContact O-N 3.17Å | ||
| 20 | K | 62 | Low | 64.3 | Low | 187 Ų | 187 | 157.5 Ų | 157.5 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -68.8 | 84.6 | 171.9 | -61.8 | -79.5 | -176.2 | 158.2 | 0 | 107.4 | E22 | K20-E22 PolarHBondContact O-N 3.02Š| ||
| 21 | S | 59.4 | Low | 64 | Low | 103 Ų | 103 | 151.4 Ų | 151.4 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -77 | 112.7 | 161.5 | 59.6 | 0 | 0 | 0 | 0 | 106.2 | K19 P23 | K19-S21 PolarHBondContact O-N 3.17Å; S21-P23 WeakPolarHBondContact O-CD 3.36Å | ||
| 22 | E | 61.2 | Low | 63.4 | Low | 175 Ų | 175 | 151.5 Ų | 151.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -59.9 | 120.5 | 167.8 | -68.6 | -172.8 | 149.6 | 0 | 0 | 108.2 | K20 K24 | K20-E22 PolarHBondContact O-N 3.02Å; E22-K24 PolarHBondContact O-N 3.19Å | ||
| 23 | P | 56.3 | Low | 62.5 | Low | 107 Ų | 107 | 154 Ų | 154 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | trans | -72.6 | 111.2 | 172.9 | 30.3 | -30.7 | 0 | 0 | 0 | 107.2 | S21 V25 | S21-P23 WeakPolarHBondContact O-CD 3.36Å; P23-V25 HydrophobicContact CB-CG2 3.84Å; P23-V25 HydrophobicContact CG-CG2 4.25Å; P23-V25 PolarHBondContact O-N 2.69Å | ||
| 24 | K | 63.3 | Low | 62 | Low | 200 Ų | 200 | 151.8 Ų | 151.8 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -71.2 | 79.4 | 164.5 | -67.5 | 178 | -178.9 | 176.7 | 0 | 107.4 | E22 L26 | E22-K24 PolarHBondContact O-N 3.19Å; K24-L26 PolarHBondContact O-N 2.69Å | ||
| 25 | V | 63.3 | Low | 61 | Low | 102 Ų | 102 | 152.6 Ų | 152.6 | 62% | 0.618 | 79% | 0.786 | S | S | * | * | trans | -76.1 | 103 | 174.3 | -175 | 0 | 0 | 0 | 0 | 106.8 | P23 Y27 | P23-V25 HydrophobicContact CB-CG2 3.84Å; P23-V25 HydrophobicContact CG-CG2 4.25Å; P23-V25 PolarHBondContact O-N 2.69Å; V25-Y27 WeakPolarHBondContact CG1-O 3.25Å; V25-Y27 PolarHBondContact O-N 2.76Å | ||
| 26 | L | 69.4 | Low | 60.4 | Low | 164 Ų | 164 | 148.8 Ų | 148.8 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -79.3 | 10.2 | 176.2 | -101.5 | 163.3 | 0 | 0 | 0 | 113.4 | K24 | K24-L26 PolarHBondContact O-N 2.69Š| ||
| 27 | Y | 62.2 | Low | 59.7 | Low | 200 Ų | 200 | 151.1 Ų | 151.1 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -131.5 | 108.5 | 174.8 | -88.5 | -88.8 | 0 | 0 | 0 | 110.6 | V25 | V25-Y27 WeakPolarHBondContact CG1-O 3.25Å; V25-Y27 PolarHBondContact O-N 2.76Å |
| 28 | E | 68.8 | Low | 58.6 | Low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.7 | 174.6 | -172 | 172.1 | -177.1 | 0 | 0 | 110.7 | ||
| 29 | I | 71.8 | Confident | 58 | Low | 144 Ų | 144 | 146.5 Ų | 146.5 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 125.2 | 173.4 | -59.2 | 170.6 | 0 | 0 | 0 | 106.9 | ||
| 30 | P | 63.6 | Low | 57.2 | Low | 102 Ų | 102 | 144.9 Ų | 144.9 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138 | -177.7 | -22.9 | 32.5 | 0 | 0 | 0 | 112.8 | E32 | P30-E32 VanDerWaalsContact C-N 3.33Å; P30-E32 PolarHBondContact O-N 3.47Å |
| 31 | A | 62.1 | Low | 56.4 | Low | 104 Ų | 104 | 142.7 Ų | 142.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -79 | 68 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 32 | E | 57.9 | Low | 55.9 | Low | 167 Ų | 167 | 145.1 Ų | 145.1 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -147.7 | 71.5 | 178.6 | -63.5 | -172.3 | -148.9 | 0 | 0 | 114.8 | P30 | P30-E32 VanDerWaalsContact C-N 3.33Å; P30-E32 PolarHBondContact O-N 3.47Å | ||
| 33 | H | 48.5 | Very low | 55.3 | Low | 189 Ų | 189 | 141.9 Ų | 141.9 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -140.7 | 83.3 | 144 | -17.5 | -71.2 | 0 | 0 | 0 | 109.9 | ||||
| 34 | G | 54.7 | Low | 54.9 | Low | 80 Ų | 80 | 140.3 Ų | 140.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -96.7 | 121.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 35 | C | 41.1 | Very low | 54.3 | Low | 123 Ų | 123 | 134.7 Ų | 134.7 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -171.6 | 92.5 | 148.3 | -160 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 36 | N | 50.5 | Low | 53.9 | Low | 106 Ų | 106 | 132.9 Ų | 132.9 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | 85.6 | 98.6 | 94.8 | -155.1 | 15.6 | 0 | 0 | 0 | 113 | E38 | N36-E38 PolarHBondContact ND2-OE1 3.24Å; N36-E38 WeakPolarHBondContact OD1-CG 3.44Å; N36-E38 PolarHBondContact OD1-OE1 3.11Å | |||
| 37 | N | 43.7 | Very low | 53.4 | Low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -151.7 | 81.2 | 136.5 | -101.3 | -18 | 0 | 0 | 0 | 106.7 | N39 | N37-N39 PolarHBondContact O-N 3.36Å; N37-N39 VanDerWaalsContact O-N 3.08Å | ||
| 38 | E | 42.2 | Very low | 53.3 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 59% | 0.593 | 72% | 0.721 | S | S | * | * | 7.6 | 94.5 | 124.6 | 34.3 | -164.5 | 137.7 | 0 | 0 | 113.1 | N36 K40 | N36-E38 PolarHBondContact ND2-OE1 3.24Å; N36-E38 WeakPolarHBondContact OD1-CG 3.44Å; N36-E38 PolarHBondContact OD1-OE1 3.11Å; E38-K40 PolarHBondContact O-N 2.92Å | |||
| 39 | N | 49.6 | Very low | 53 | Low | 173 Ų | 173 | 120.3 Ų | 120.3 | 93% | 0.925 | 70% | 0.703 | S | S | * | * | trans | -69.1 | 72.2 | 161.5 | -86.1 | -90.7 | 0 | 0 | 0 | 107.6 | N37 | N37-N39 PolarHBondContact O-N 3.36Å; N37-N39 VanDerWaalsContact O-N 3.08Å | ||
| 40 | K | 50.3 | Low | 53 | Low | 163 Ų | 163 | 118.9 Ų | 118.9 | 71% | 0.709 | 70% | 0.695 | S | S | * | * | trans | -102.3 | 130.9 | 155.6 | -107.8 | -179 | -172.4 | -175.3 | 0 | 106.9 | E38 | E38-K40 PolarHBondContact O-N 2.92Š| ||
| 41 | D | 44.7 | Very low | 53.5 | Low | 141 Ų | 141 | 117.6 Ų | 117.6 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | trans | 74.5 | 61.2 | 161.8 | -43 | -34.7 | 0 | 0 | 0 | 116.4 | ||||
| 42 | Q | 49.5 | Very low | 54.3 | Low | 153 Ų | 153 | 116.1 Ų | 116.1 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | trans | -129.4 | 48.8 | 140.7 | -67.4 | -153.2 | 19.9 | 0 | 0 | 111.5 | G44 | Q42-G44 PolarHBondContact O-N 3.47Š| ||
| 43 | A | 47.7 | Very low | 55.6 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 89% | 0.893 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 97.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 44 | G | 49.2 | Very low | 57.3 | Low | 74 Ų | 74 | 109.4 Ų | 109.4 | 76% | 0.763 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.2 | 12.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q42 S46 | Q42-G44 PolarHBondContact O-N 3.47Å; G44-S46 PolarHBondContact O-N 3.28Å |
| 45 | I | 50.5 | Low | 58.7 | Low | 82 Ų | 82 | 109.7 Ų | 109.7 | 42% | 0.421 | 62% | 0.615 | S | S | . | * | trans | -88.4 | 98.3 | 161.6 | -56.1 | -165.2 | 0 | 0 | 0 | 107 | S47 N49 M50 | I45-S47 PolarHBondContact O-N 3.26Å; I45-N49 HydrophobicContact CG2-CB 4.01Å; I45-M50 HydrophobicContact CG2-CG 3.81Å; I45-M50 HydrophobicContact CG2-SD 4.03Å | ||
| 46 | S | 54.6 | Low | 60.9 | Low | 63 Ų | 63 | 106.3 Ų | 106.3 | 44% | 0.441 | 60% | 0.596 | S | S | . | * | trans | -44.2 | 133.2 | 172.8 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | G44 D48 N49 | G44-S46 PolarHBondContact O-N 3.28Å; S46-D48 PolarHBondContact O-N 2.88Å; S46-D48 PolarHBondContact OG-N 3.24Å; S46-D48 PolarHBondContact OG-OD2 3.23Å; S46-N49 WeakPolarHBondContact O-CB 3.44Å; S46-N49 PolarHBondContact O-N 2.89Å | ||
| 47 | S | 58.1 | Low | 62.8 | Low | 78 Ų | 78 | 108.9 Ų | 108.9 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -45.9 | -38.3 | 174.4 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | I45 N49 M50 D51 | I45-S47 PolarHBondContact O-N 3.26Å; S47-N49 PolarHBondContact O-N 2.73Å; S47-N49 VanDerWaalsContact O-N 3.15Å; S47-M50 PolarHBondContact O-N 3.26Å; S47-D51 WeakPolarHBondContact O-CB 3.35Å; S47-D51 VanDerWaalsContact O-CG 3.32Å; S47-D51 PolarHBondContact O-N 3.3Å; S47-D51 PolarHBondContact OG-OD2 3.25Å |
| 48 | D | 60.7 | Low | 64.9 | Low | 118 Ų | 118 | 105.6 Ų | 105.6 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55.5 | -33.5 | 178 | -56.2 | -40.4 | 0 | 0 | 0 | 113.8 | S46 S52 | S46-D48 PolarHBondContact O-N 2.88Å; S46-D48 PolarHBondContact OG-N 3.24Å; S46-D48 PolarHBondContact OG-OD2 3.23Å; D48-S52 WeakPolarHBondContact O-CB 3.32Å; D48-S52 PolarHBondContact O-N 3.15Å |
| 49 | N | 62.7 | Low | 66.9 | Low | 91 Ų | 91 | 105 Ų | 105 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.3 | -34.3 | -179.8 | -157.3 | -15 | 0 | 0 | 0 | 111.3 | I45 S46 S47 Q53 | I45-N49 HydrophobicContact CG2-CB 4.01Å; S46-N49 WeakPolarHBondContact O-CB 3.44Å; S46-N49 PolarHBondContact O-N 2.89Å; S47-N49 PolarHBondContact O-N 2.73Å; S47-N49 VanDerWaalsContact O-N 3.15Å; N49-Q53 WeakPolarHBondContact O-CB 3.47Å; N49-Q53 VanDerWaalsContact O-CG 3.28Å; N49-Q53 WeakPolarHBondContact O-CG 3.31Å; N49-Q53 PolarHBondContact O-N 2.89Å |
| 50 | M | 71.6 | Confident | 68.6 | Low | 114 Ų | 114 | 105.4 Ų | 105.4 | 56% | 0.562 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.8 | -39.8 | 173.4 | -65 | -62.2 | -101.1 | 0 | 0 | 111.5 | I45 S47 Q53 F54 | I45-M50 HydrophobicContact CG2-CG 3.81Å; I45-M50 HydrophobicContact CG2-SD 4.03Å; S47-M50 PolarHBondContact O-N 3.26Å; M50-Q53 PolarHBondContact O-N 2.89Å; M50-F54 WeakPolarHBondContact O-CB 3.34Å; M50-F54 PolarHBondContact O-N 3.19Å |
| 51 | D | 73.3 | Confident | 70.2 | Confident | 76 Ų | 76 | 104 Ų | 104 | 41% | 0.406 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.5 | -37.9 | 174.4 | -68.1 | -43.5 | 0 | 0 | 0 | 111.3 | S47 F54 N55 | S47-D51 WeakPolarHBondContact O-CB 3.35Å; S47-D51 VanDerWaalsContact O-CG 3.32Å; S47-D51 PolarHBondContact O-N 3.3Å; S47-D51 PolarHBondContact OG-OD2 3.25Å; D51-F54 PolarHBondContact O-N 2.96Å; D51-N55 VanDerWaalsContact O-CB 3.29Å; D51-N55 WeakPolarHBondContact O-CB 3.25Å; D51-N55 VanDerWaalsContact O-CG 3.23Å; D51-N55 PolarHBondContact O-N 2.82Å; D51-N55 PolarHBondContact O-ND2 3.27Å; D51-N55 VanDerWaalsContact O-ND2 3.1Å |
| 52 | S | 79 | Confident | 72.2 | Confident | 72 Ų | 72 | 101.3 Ų | 101.3 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.6 | -45 | 172.6 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | D48 F54 N55 A56 | D48-S52 WeakPolarHBondContact O-CB 3.32Å; D48-S52 PolarHBondContact O-N 3.15Å; S52-F54 VanDerWaalsContact C-N 3.33Å; S52-F54 PolarHBondContact O-N 3.1Å; S52-N55 PolarHBondContact O-N 2.88Å; S52-A56 VanDerWaalsContact O-CB 3.27Å; S52-A56 WeakPolarHBondContact O-CB 3.47Å; S52-A56 PolarHBondContact O-N 3.25Å |
| 53 | Q | 85.1 | Confident | 73.5 | Confident | 98 Ų | 98 | 99.6 Ų | 99.6 | 46% | 0.458 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -40.9 | 173.7 | -78 | -110.1 | -7.7 | 0 | 0 | 112.2 | N49 M50 R57 | N49-Q53 WeakPolarHBondContact O-CB 3.47Å; N49-Q53 VanDerWaalsContact O-CG 3.28Å; N49-Q53 WeakPolarHBondContact O-CG 3.31Å; N49-Q53 PolarHBondContact O-N 2.89Å; M50-Q53 PolarHBondContact O-N 2.89Å; Q53-R57 VanDerWaalsContact O-CG 3.25Å; Q53-R57 WeakPolarHBondContact O-CG 3.46Å; Q53-R57 PolarHBondContact O-N 3.36Å |
| 54 | F | 84.4 | Confident | 74.9 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.2 | -47.5 | 177.3 | -179.6 | -107 | 0 | 0 | 0 | 111.4 | M50 D51 S52 A56 R57 L58 | M50-F54 WeakPolarHBondContact O-CB 3.34Å; M50-F54 PolarHBondContact O-N 3.19Å; D51-F54 PolarHBondContact O-N 2.96Å; S52-F54 VanDerWaalsContact C-N 3.33Å; S52-F54 PolarHBondContact O-N 3.1Å; F54-A56 PolarHBondContact O-N 3.35Å; F54-R57 WeakPolarHBondContact O-CB 3.27Å; F54-R57 PolarHBondContact O-N 3.17Å; F54-R57 VanDerWaalsContact O-N 3.15Å; F54-L58 HydrophobicContact CD1-CD1 3.8Å; F54-L58 HydrophobicContact CD1-CG 4.31Å; F54-L58 HydrophobicContact CE1-CD1 3.35Å; F54-L58 HydrophobicContact CE1-CG 4.03Å; F54-L58 HydrophobicContact CE2-CD2 4.49Å; F54-L58 HydrophobicContact CE2-CG 4.46Å; F54-L58 HydrophobicContact CZ-CD1 3.81Å; F54-L58 HydrophobicContact CZ-CD2 4.15Å; F54-L58 HydrophobicContact CZ-CG 4.1Å; F54-L58 WeakPolarHBondContact O-CG 3.29Å; F54-L58 PolarHBondContact O-N 2.87Å |
| 55 | N | 85.1 | Confident | 75.8 | Confident | 86 Ų | 86 | 102.1 Ų | 102.1 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 175.7 | -75.2 | -33.5 | 0 | 0 | 0 | 112.1 | D51 S52 R57 L58 E59 | D51-N55 VanDerWaalsContact O-CB 3.29Å; D51-N55 WeakPolarHBondContact O-CB 3.25Å; D51-N55 VanDerWaalsContact O-CG 3.23Å; D51-N55 PolarHBondContact O-N 2.82Å; D51-N55 PolarHBondContact O-ND2 3.27Å; D51-N55 VanDerWaalsContact O-ND2 3.1Å; S52-N55 PolarHBondContact O-N 2.88Å; N55-R57 VanDerWaalsContact C-N 3.28Å; N55-R57 PolarHBondContact O-N 2.8Å; N55-L58 PolarHBondContact O-N 3.28Å; N55-E59 WeakPolarHBondContact O-CG 3.28Å; N55-E59 PolarHBondContact O-N 3.03Å |
| 56 | A | 86.8 | Confident | 76.5 | Confident | 52 Ų | 52 | 101.5 Ų | 101.5 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S52 F54 K60 | S52-A56 VanDerWaalsContact O-CB 3.27Å; S52-A56 WeakPolarHBondContact O-CB 3.47Å; S52-A56 PolarHBondContact O-N 3.25Å; F54-A56 PolarHBondContact O-N 3.35Å; A56-K60 WeakPolarHBondContact O-CG 3.46Å; A56-K60 PolarHBondContact O-N 2.87Å |
| 57 | R | 89.6 | Confident | 77.1 | Confident | 161 Ų | 161 | 104.3 Ų | 104.3 | 61% | 0.608 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69 | -43.2 | 173.5 | -72.5 | 171.3 | -173.6 | -171.6 | 3.9 | 111.5 | Q53 F54 N55 K60 I61 | Q53-R57 VanDerWaalsContact O-CG 3.25Å; Q53-R57 WeakPolarHBondContact O-CG 3.46Å; Q53-R57 PolarHBondContact O-N 3.36Å; F54-R57 WeakPolarHBondContact O-CB 3.27Å; F54-R57 PolarHBondContact O-N 3.17Å; F54-R57 VanDerWaalsContact O-N 3.15Å; N55-R57 VanDerWaalsContact C-N 3.28Å; N55-R57 PolarHBondContact O-N 2.8Å; R57-K60 PolarHBondContact O-N 3.13Å; R57-I61 WeakPolarHBondContact O-CD1 3.4Å; R57-I61 VanDerWaalsContact O-CG1 3.27Å; R57-I61 WeakPolarHBondContact O-CG1 3.27Å; R57-I61 PolarHBondContact O-N 3.21Å |
| 58 | L | 87.9 | Confident | 78 | Confident | 71 Ų | 71 | 109.8 Ų | 109.8 | 37% | 0.372 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.8 | -46.1 | 177.4 | -72.9 | 180 | 0 | 0 | 0 | 111.7 | F54 N55 K60 I61 V62 | F54-L58 HydrophobicContact CD1-CD1 3.8Å; F54-L58 HydrophobicContact CD1-CG 4.31Å; F54-L58 HydrophobicContact CE1-CD1 3.35Å; F54-L58 HydrophobicContact CE1-CG 4.03Å; F54-L58 HydrophobicContact CE2-CD2 4.49Å; F54-L58 HydrophobicContact CE2-CG 4.46Å; F54-L58 HydrophobicContact CZ-CD1 3.81Å; F54-L58 HydrophobicContact CZ-CD2 4.15Å; F54-L58 HydrophobicContact CZ-CG 4.1Å; F54-L58 WeakPolarHBondContact O-CG 3.29Å; F54-L58 PolarHBondContact O-N 2.87Å; N55-L58 PolarHBondContact O-N 3.28Å; L58-K60 PolarHBondContact O-N 3.02Å; L58-I61 PolarHBondContact O-N 3.32Å; L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.08Å; L58-V62 PolarHBondContact O-N 3.36Å |
| 59 | E | 83.7 | Confident | 78.9 | Confident | 113 Ų | 113 | 107 Ų | 107 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.7 | -29.7 | 178.5 | -78.3 | -164.9 | -146 | 0 | 0 | 114.1 | N55 I61 K64 | N55-E59 WeakPolarHBondContact O-CG 3.28Å; N55-E59 PolarHBondContact O-N 3.03Å; E59-I61 VanDerWaalsContact C-N 3.35Å; E59-K64 IonicContact OE2-NZ 3.23Å; E59-K64 PolarHBondContact OE2-NZ 3.15Å |
| 60 | K | 85.9 | Confident | 80.1 | Confident | 183 Ų | 183 | 114 Ų | 114 | 80% | 0.796 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -75.9 | -23.3 | 175.4 | -74.2 | 176.3 | 66.1 | 171.9 | 0 | 113.1 | A56 R57 L58 | A56-K60 WeakPolarHBondContact O-CG 3.46Å; A56-K60 PolarHBondContact O-N 2.87Å; R57-K60 PolarHBondContact O-N 3.13Å; L58-K60 PolarHBondContact O-N 3.02Å |
| 61 | I | 84.8 | Confident | 80.7 | Confident | 134 Ų | 134 | 117.4 Ų | 117.4 | 69% | 0.687 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -95.4 | -29 | -178.7 | -60.6 | 167.2 | 0 | 0 | 0 | 110.7 | R57 L58 E59 D63 | R57-I61 WeakPolarHBondContact O-CD1 3.4Å; R57-I61 VanDerWaalsContact O-CG1 3.27Å; R57-I61 WeakPolarHBondContact O-CG1 3.27Å; R57-I61 PolarHBondContact O-N 3.21Å; L58-I61 PolarHBondContact O-N 3.32Å; E59-I61 VanDerWaalsContact C-N 3.35Å; I61-D63 PolarHBondContact O-N 3.45Å |
| 62 | V | 86.3 | Confident | 81.4 | Confident | 83 Ų | 83 | 118.7 Ų | 118.7 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -73.5 | 108.5 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | L58 K64 | L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.08Å; L58-V62 PolarHBondContact O-N 3.36Å; V62-K64 VanDerWaalsContact C-N 3.34Å; V62-K64 PolarHBondContact O-N 3.04Å |
| 63 | D | 77.3 | Confident | 81.6 | Confident | 118 Ų | 118 | 124.3 Ų | 124.3 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | trans | -65.9 | 95.7 | 166.5 | -86.8 | -25.1 | 0 | 0 | 0 | 109.3 | I61 S65 A66 | I61-D63 PolarHBondContact O-N 3.45Å; D63-S65 PolarHBondContact O-N 2.85Å; D63-S65 VanDerWaalsContact O-N 3.1Å; D63-A66 HydrophobicContact CB-CB 3.85Å; D63-A66 WeakPolarHBondContact O-CB 3.42Å; D63-A66 PolarHBondContact O-N 3.47Å | ||
| 64 | K | 76.1 | Confident | 81.3 | Confident | 128 Ų | 128 | 125.4 Ų | 125.4 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -57 | -26.6 | 179.5 | -65.5 | 165.1 | -178.2 | -175.1 | 0 | 111.6 | E59 V62 T67 | E59-K64 IonicContact OE2-NZ 3.23Å; E59-K64 PolarHBondContact OE2-NZ 3.15Å; V62-K64 VanDerWaalsContact C-N 3.34Å; V62-K64 PolarHBondContact O-N 3.04Å; K64-T67 PolarHBondContact O-OG1 3.45Å |
| 65 | S | 67.8 | Low | 81.1 | Confident | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -75.7 | -17.5 | 175.2 | 66 | 0 | 0 | 0 | 0 | 114.3 | D63 | D63-S65 PolarHBondContact O-N 2.85Å; D63-S65 VanDerWaalsContact O-N 3.1Å |
| 66 | A | 64.9 | Low | 80.6 | Confident | 69 Ų | 69 | 129 Ų | 129 | 57% | 0.57 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -86.6 | -5.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D63 K68 | D63-A66 HydrophobicContact CB-CB 3.85Å; D63-A66 WeakPolarHBondContact O-CB 3.42Å; D63-A66 PolarHBondContact O-N 3.47Å; A66-K68 PolarHBondContact O-N 3.41Å |
| 67 | T | 69.1 | Low | 79.9 | Confident | 123 Ų | 123 | 130.2 Ų | 130.2 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -65.7 | -21.7 | -178.9 | 45.5 | 0 | 0 | 0 | 0 | 113.7 | K64 | K64-T67 PolarHBondContact O-OG1 3.45Š|
| 68 | K | 75.4 | Confident | 79 | Confident | 192 Ų | 192 | 125.7 Ų | 125.7 | 84% | 0.835 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -112.9 | 86.4 | 173.7 | -159 | 158.5 | -176 | 173.6 | 0 | 109.2 | A66 | A66-K68 PolarHBondContact O-N 3.41Š|
| 69 | G | 80.6 | Confident | 78 | Confident | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 70% | 0.696 | S | S | * | * | trans | -50.6 | 154.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | H71 | G69-H71 PolarHBondContact O-N 3.1Š| ||
| 70 | R | 86.9 | Confident | 77.1 | Confident | 237 Ų | 237 | 134 Ų | 134 | 89% | 0.894 | 70% | 0.703 | S | S | * | * | trans | -65.8 | 123.7 | -179.3 | -71.5 | -172 | -70 | -158.8 | -3.4 | 110.3 | V72 | R70-V72 PolarHBondContact O-N 2.87Š| ||
| 71 | H | 85.7 | Confident | 76.3 | Confident | 186 Ų | 186 | 134.2 Ų | 134.2 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | trans | -73.3 | 114.2 | 168.3 | -173.9 | -113.7 | 0 | 0 | 0 | 109 | G69 | G69-H71 PolarHBondContact O-N 3.1Š| ||
| 72 | V | 86.1 | Confident | 75.5 | Confident | 104 Ų | 104 | 136.1 Ų | 136.1 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | trans | -102.3 | 127.4 | 179.2 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | R70 V74 | R70-V72 PolarHBondContact O-N 2.87Å; V72-V74 PolarHBondContact O-N 2.82Å | ||
| 73 | K | 85.1 | Confident | 74.7 | Confident | 189 Ų | 189 | 139.3 Ų | 139.3 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -79.1 | 102.1 | 172.4 | -162.6 | 176 | 86.5 | 90.7 | 0 | 109.3 | ||||
| 74 | V | 78.1 | Confident | 74.1 | Confident | 122 Ų | 122 | 144 Ų | 144 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | trans | -78.8 | 136.5 | 169.3 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | V72 | V72-V74 PolarHBondContact O-N 2.82Š| ||
| 75 | S | 79.3 | Confident | 73.6 | Confident | 69 Ų | 69 | 145.5 Ų | 145.5 | 48% | 0.483 | 74% | 0.738 | S | S | . | * | trans | -77.2 | 146.3 | 172.3 | 64 | 0 | 0 | 0 | 0 | 109.6 | S77 G78 | S75-S77 PolarHBondContact O-N 2.7Å; S75-S77 VanDerWaalsContact O-N 3.11Å; S75-G78 PolarHBondContact O-N 3.38Å; S75-G78 PolarHBondContact OG-N 3.16Å | ||
| 76 | H | 75.8 | Confident | 73.4 | Confident | 209 Ų | 209 | 145.2 Ų | 145.2 | 97% | 0.968 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -30.8 | -176.5 | -68.2 | 91 | 0 | 0 | 0 | 114.5 | ||
| 77 | S | 70.9 | Confident | 73.2 | Confident | 78 Ų | 78 | 151.8 Ų | 151.8 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -30.2 | 175.2 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | S75 R79 | S75-S77 PolarHBondContact O-N 2.7Å; S75-S77 VanDerWaalsContact O-N 3.11Å; S77-R79 WeakPolarHBondContact O-CA 3.47Å; S77-R79 VanDerWaalsContact O-CB 3.25Å; S77-R79 WeakPolarHBondContact O-CB 3.33Å; S77-R79 PolarHBondContact O-N 3.37Å; S77-R79 PolarHBondContact OG-N 2.88Å; S77-R79 PolarHBondContact OG-O 2.98Å |
| 78 | G | 71.2 | Confident | 72.8 | Confident | 66 Ų | 66 | 151.2 Ų | 151.2 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | 50.1 | 5.8 | -161.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S75 | S75-G78 PolarHBondContact O-N 3.38Å; S75-G78 PolarHBondContact OG-N 3.16Å | ||
| 79 | R | 67.4 | Low | 71.9 | Confident | 203 Ų | 203 | 146 Ų | 146 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -105.1 | 114.6 | -157.5 | -152.4 | 166.5 | -176.6 | 145.2 | -1.4 | 103.9 | S77 K81 | S77-R79 WeakPolarHBondContact O-CA 3.47Å; S77-R79 VanDerWaalsContact O-CB 3.25Å; S77-R79 WeakPolarHBondContact O-CB 3.33Å; S77-R79 PolarHBondContact O-N 3.37Å; S77-R79 PolarHBondContact OG-N 2.88Å; S77-R79 PolarHBondContact OG-O 2.98Å; R79-K81 PolarHBondContact O-N 2.83Å | ||
| 80 | F | 64.2 | Low | 70.7 | Confident | 155 Ų | 155 | 147.6 Ų | 147.6 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | trans | -47.8 | 95.3 | 155.7 | 179.5 | -110.1 | 0 | 0 | 0 | 107.7 | E82 K83 | F80-E82 HydrophobicContact CE1-CB 4.49Å; F80-E82 HydrophobicContact CE1-CG 4.35Å; F80-E82 PolarHBondContact O-N 3.15Å; F80-K83 HydrophobicContact CE2-CB 4.21Å; F80-K83 HydrophobicContact CZ-CB 4.14Å | ||
| 81 | K | 69.4 | Low | 69.3 | Low | 188 Ų | 188 | 139.8 Ų | 139.8 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | trans | -66.1 | 111.9 | 159.7 | -84.3 | -175.3 | 65.8 | -180 | 0 | 103.5 | R79 K83 | R79-K81 PolarHBondContact O-N 2.83Å; K81-K83 PolarHBondContact O-N 2.88Å | ||
| 82 | E | 68 | Low | 68 | Low | 173 Ų | 173 | 137.7 Ų | 137.7 | 81% | 0.808 | 70% | 0.698 | S | S | * | * | trans | -37.9 | 116.7 | -177.1 | -72.3 | 180 | 147 | 0 | 0 | 110.7 | F80 K84 | F80-E82 HydrophobicContact CE1-CB 4.49Å; F80-E82 HydrophobicContact CE1-CG 4.35Å; F80-E82 PolarHBondContact O-N 3.15Å; E82-K84 PolarHBondContact O-N 2.85Å | ||
| 83 | K | 69.4 | Low | 66.5 | Low | 150 Ų | 150 | 137.2 Ų | 137.2 | 65% | 0.652 | 69% | 0.692 | S | S | * | * | trans | -67 | 108.8 | 166 | -176.6 | 176.9 | 66.6 | 178.2 | 0 | 105.5 | F80 K81 K85 | F80-K83 HydrophobicContact CE2-CB 4.21Å; F80-K83 HydrophobicContact CZ-CB 4.14Å; K81-K83 PolarHBondContact O-N 2.88Å; K83-K85 HydrophobicContact CD-CB 4.22Å; K83-K85 HydrophobicContact CG-CB 3.93Å; K83-K85 PolarHBondContact O-N 3.03Å | ||
| 84 | K | 64.9 | Low | 65.4 | Low | 216 Ų | 216 | 133.5 Ų | 133.5 | 94% | 0.939 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -65.8 | 57.3 | 168.2 | -167.5 | -171.2 | 178.4 | 171.9 | 0 | 110.4 | E82 | E82-K84 PolarHBondContact O-N 2.85Š|
| 85 | K | 64.8 | Low | 64.6 | Low | 161 Ų | 161 | 132.7 Ų | 132.7 | 70% | 0.7 | 69% | 0.687 | S | S | * | * | trans | -144.2 | 84.6 | 172 | -157.3 | 167 | 179.1 | 176.9 | 0 | 107.4 | K83 R87 | K83-K85 HydrophobicContact CD-CB 4.22Å; K83-K85 HydrophobicContact CG-CB 3.93Å; K83-K85 PolarHBondContact O-N 3.03Å; K85-R87 PolarHBondContact O-N 3.07Å | ||
| 86 | V | 63.4 | Low | 63.5 | Low | 99 Ų | 99 | 135.5 Ų | 135.5 | 60% | 0.6 | 70% | 0.696 | S | S | * | * | trans | -48.8 | 121.5 | 161.1 | 178 | 0 | 0 | 0 | 0 | 106.6 | L90 | V86-L90 HydrophobicContact CG1-CB 3.71Å; V86-L90 HydrophobicContact CG1-CD2 3.85Å; V86-L90 HydrophobicContact CG1-CG 4.35Å | ||
| 87 | R | 61 | Low | 62.7 | Low | 207 Ų | 207 | 132 Ų | 132 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | trans | -59.3 | 138.9 | 172.3 | -140.9 | 173.6 | -173.3 | 163.2 | -1.3 | 106.2 | K85 T89 L90 | K85-R87 PolarHBondContact O-N 3.07Å; R87-T89 PolarHBondContact O-N 3.49Å; R87-L90 WeakPolarHBondContact O-CB 3.33Å; R87-L90 PolarHBondContact O-N 2.99Å | ||
| 88 | S | 61 | Low | 62 | Low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -51.7 | -27.2 | -173.9 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 89 | T | 57.2 | Low | 61.2 | Low | 83 Ų | 83 | 137.7 Ų | 137.7 | 51% | 0.509 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -85.5 | -8.9 | 179.7 | 62.8 | 0 | 0 | 0 | 0 | 114.9 | R87 A91 | R87-T89 PolarHBondContact O-N 3.49Å; T89-A91 VanDerWaalsContact C-N 3.26Å; T89-A91 PolarHBondContact O-N 2.94Å |
| 90 | L | 54.6 | Low | 60.6 | Low | 92 Ų | 92 | 135.2 Ų | 135.2 | 48% | 0.482 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -77.4 | -14.8 | 179.2 | -164.7 | 87.1 | 0 | 0 | 0 | 112 | V86 R87 E92 F97 | V86-L90 HydrophobicContact CG1-CB 3.71Å; V86-L90 HydrophobicContact CG1-CD2 3.85Å; V86-L90 HydrophobicContact CG1-CG 4.35Å; R87-L90 WeakPolarHBondContact O-CB 3.33Å; R87-L90 PolarHBondContact O-N 2.99Å; L90-E92 PolarHBondContact O-N 3.03Å; L90-F97 HydrophobicContact CD2-CE2 4.13Å; L90-F97 HydrophobicContact CD2-CZ 4.09Å; L90-F97 HydrophobicContact CG-CE2 4.46Å |
| 91 | A | 57.1 | Low | 60.2 | Low | 74 Ų | 74 | 134.1 Ų | 134.1 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -71.3 | -7.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T89 N93 | T89-A91 VanDerWaalsContact C-N 3.26Å; T89-A91 PolarHBondContact O-N 2.94Å; A91-N93 PolarHBondContact O-N 3.35Å |
| 92 | E | 60.1 | Low | 59.4 | Low | 142 Ų | 142 | 131.6 Ų | 131.6 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -76 | -6.4 | -174.5 | -65.5 | 174.7 | -154.7 | 0 | 0 | 114 | L90 | L90-E92 PolarHBondContact O-N 3.03Š|
| 93 | N | 53.7 | Low | 58.5 | Low | 93 Ų | 93 | 127.6 Ų | 127.6 | 50% | 0.497 | 68% | 0.678 | S | S | . | * | trans | -131.8 | 75.9 | 175.6 | -76.3 | -77.6 | 0 | 0 | 0 | 111.9 | A91 S95 L96 | A91-N93 PolarHBondContact O-N 3.35Å; N93-S95 PolarHBondContact O-N 3.36Å; N93-S95 VanDerWaalsContact O-N 3.15Å; N93-L96 HydrophobicContact CB-CD1 3.65Å; N93-L96 HydrophobicContact CB-CG 3.94Å; N93-L96 PolarHBondContact O-N 3.36Å | ||
| 94 | P | 62.7 | Low | 57.7 | Low | 112 Ų | 112 | 126.3 Ų | 126.3 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -65.6 | -12.7 | 179.9 | 24.3 | -31.9 | 0 | 0 | 0 | 114 | L96 | P94-L96 VanDerWaalsContact C-N 3.35Š|
| 95 | S | 60.6 | Low | 57 | Low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -79 | -12.9 | 176 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | N93 | N93-S95 PolarHBondContact O-N 3.36Å; N93-S95 VanDerWaalsContact O-N 3.15Å |
| 96 | L | 56.5 | Low | 56.3 | Low | 127 Ų | 127 | 121.8 Ų | 121.8 | 67% | 0.665 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -81.5 | -18.5 | -176.9 | -68.8 | 177.8 | 0 | 0 | 0 | 113.6 | N93 P94 | N93-L96 HydrophobicContact CB-CD1 3.65Å; N93-L96 HydrophobicContact CB-CG 3.94Å; N93-L96 PolarHBondContact O-N 3.36Å; P94-L96 VanDerWaalsContact C-N 3.35Å |
| 97 | F | 58.3 | Low | 55.8 | Low | 137 Ų | 137 | 123.5 Ų | 123.5 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -115.1 | 96.9 | 177 | -59.2 | -79.3 | 0 | 0 | 0 | 107.6 | L90 E99 | L90-F97 HydrophobicContact CD2-CE2 4.13Å; L90-F97 HydrophobicContact CD2-CZ 4.09Å; L90-F97 HydrophobicContact CG-CE2 4.46Å; F97-E99 PolarHBondContact O-N 2.87Å; F97-E99 VanDerWaalsContact O-N 3.17Å |
| 98 | A | 57.3 | Low | 55.6 | Low | 92 Ų | 92 | 122.7 Ų | 122.7 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | trans | -55.1 | 124.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | H100 | A98-H100 PolarHBondContact O-N 3.19Š| ||
| 99 | E | 53.5 | Low | 55.2 | Low | 170 Ų | 170 | 124.5 Ų | 124.5 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | trans | -65.5 | 74.5 | 178.8 | -167.7 | 177.9 | -154.7 | 0 | 0 | 109.1 | F97 N101 | F97-E99 PolarHBondContact O-N 2.87Å; F97-E99 VanDerWaalsContact O-N 3.17Å; E99-N101 PolarHBondContact O-N 3.22Å | ||
| 100 | H | 55.8 | Low | 54.8 | Low | 151 Ų | 151 | 129.6 Ų | 129.6 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | trans | -74.1 | 93.7 | 167 | -138.4 | -82 | 0 | 0 | 0 | 105.1 | A98 L102 | A98-H100 PolarHBondContact O-N 3.19Å; H100-L102 HydrophobicContact CB-CG 4.38Å; H100-L102 WeakPolarHBondContact ND1-CD2 3.18Å; H100-L102 PolarHBondContact O-N 3.43Å | ||
| 101 | N | 55.7 | Low | 54.6 | Low | 132 Ų | 132 | 129.2 Ų | 129.2 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | trans | -54.5 | 76.3 | 159.6 | -86.2 | -82.8 | 0 | 0 | 0 | 108.2 | E99 S103 | E99-N101 PolarHBondContact O-N 3.22Å; N101-S103 PolarHBondContact O-N 3.17Å; N101-S103 VanDerWaalsContact O-N 3.11Å | ||
| 102 | L | 51.9 | Low | 54 | Low | 136 Ų | 136 | 133 Ų | 133 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | -80.7 | 88.6 | 162.6 | -68.7 | 174.7 | 0 | 0 | 0 | 104.8 | H100 S104 | H100-L102 HydrophobicContact CB-CG 4.38Å; H100-L102 WeakPolarHBondContact ND1-CD2 3.18Å; H100-L102 PolarHBondContact O-N 3.43Å; L102-S104 PolarHBondContact O-N 3.33Å | ||
| 103 | S | 48.7 | Very low | 53.1 | Low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | -35.3 | 109.4 | 161.4 | 174.8 | 0 | 0 | 0 | 0 | 108.2 | N101 E105 | N101-S103 PolarHBondContact O-N 3.17Å; N101-S103 VanDerWaalsContact O-N 3.11Å; S103-E105 PolarHBondContact O-N 3.08Å | ||
| 104 | S | 53.8 | Low | 53.1 | Low | 123 Ų | 123 | 142.1 Ų | 142.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -76.6 | 66.9 | 173.3 | 59.8 | 0 | 0 | 0 | 0 | 107.9 | L102 N106 | L102-S104 PolarHBondContact O-N 3.33Å; S104-N106 PolarHBondContact O-N 2.82Å | ||
| 105 | E | 48.5 | Very low | 52.5 | Low | 120 Ų | 120 | 143.7 Ų | 143.7 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | trans | -99.9 | 77.9 | 175 | -164.5 | 136.5 | -133.8 | 0 | 0 | 108.1 | S103 H107 | S103-E105 PolarHBondContact O-N 3.08Å; E105-H107 VanDerWaalsContact CD-CE1 3.5Å; E105-H107 WeakPolarHBondContact CG-NE2 3.5Å; E105-H107 IonicContact OE1-CE1 3.88Å; E105-H107 PolarHBondContact OE1-CE1 2.86Å; E105-H107 IonicContact OE1-ND1 2.96Å; E105-H107 IonicContact OE1-NE2 2.89Å; E105-H107 PolarHBondContact OE1-NE2 3.31Å | ||
| 106 | N | 51.5 | Low | 52.1 | Low | 162 Ų | 162 | 145.8 Ų | 145.8 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -104.9 | 93.2 | 155.8 | -101.1 | -97.8 | 0 | 0 | 0 | 106.7 | S104 K108 | S104-N106 PolarHBondContact O-N 2.82Å; N106-K108 PolarHBondContact O-N 2.95Å; N106-K108 VanDerWaalsContact O-N 3.14Å | ||
| 107 | H | 51.5 | Low | 51.8 | Low | 134 Ų | 134 | 146.9 Ų | 146.9 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | trans | -56.9 | 116 | 172.4 | -65.7 | -70.7 | 0 | 0 | 0 | 109.8 | E105 N109 | E105-H107 VanDerWaalsContact CD-CE1 3.5Å; E105-H107 WeakPolarHBondContact CG-NE2 3.5Å; E105-H107 IonicContact OE1-CE1 3.88Å; E105-H107 PolarHBondContact OE1-CE1 2.86Å; E105-H107 IonicContact OE1-ND1 2.96Å; E105-H107 IonicContact OE1-NE2 2.89Å; E105-H107 PolarHBondContact OE1-NE2 3.31Å; H107-N109 PolarHBondContact O-N 2.98Å | ||
| 108 | K | 57.8 | Low | 51.4 | Low | 191 Ų | 191 | 147.6 Ų | 147.6 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -82.2 | 103.5 | 165.4 | -173.7 | -178.4 | -175.8 | 179.4 | 0 | 107.3 | N106 | N106-K108 PolarHBondContact O-N 2.95Å; N106-K108 VanDerWaalsContact O-N 3.14Å | ||
| 109 | N | 52 | Low | 51 | Low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -131.5 | 136.7 | 164 | -69.9 | -36.4 | 0 | 0 | 0 | 110.5 | H107 | H107-N109 PolarHBondContact O-N 2.98Š| ||
| 110 | K | 49.6 | Very low | 50.9 | Low | 191 Ų | 191 | 149.9 Ų | 149.9 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -84.3 | 171.4 | -171.4 | -62.5 | -162.2 | 178.9 | -172.5 | 0 | 113.4 | ||||
| 111 | A | 49.3 | Very low | 50.5 | Low | 83 Ų | 83 | 149.8 Ų | 149.8 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | 74.9 | 142.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 112 | D | 44.8 | Very low | 50 | Low | 153 Ų | 153 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -159.4 | 150.4 | 12.6 | -93.1 | -41.1 | 0 | 0 | 0 | 108.9 | ||||
| 113 | K | 41.1 | Very low | 49.9 | Very low | 285 Ų | 285 | 152.7 Ų | 152.7 | 100% | 1.239 | 79% | 0.794 | S | S | * | * | -177.6 | 0 | 126 | -104.3 | -179.8 | 179.1 | -179.1 | 0 | 111.1 |
Retrieved 113 of 113 residues in 60.5 ms
(Link to these results)