| 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 | 30.7 | Very low | 28.5 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 78% | 0.778 | 70% | 0.703 | S | S | * | * | 0 | 117 | 0 | -81.5 | 177.9 | 176.5 | 0 | 0 | 108.1 | Y157 | M1-Y157 WeakPolarHBondContact CE-OH 3.32Š| |||
| 2 | N | 25.8 | Very low | 28.2 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | -132.6 | 106.8 | 167.4 | -84.3 | -16.5 | 0 | 0 | 0 | 104.9 | ||||
| 3 | A | 27.8 | Very low | 28 | Very low | 79 Ų | 79 | 145.9 Ų | 145.9 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | trans | -91.6 | 111.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 4 | T | 28.5 | Very low | 27.8 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 57% | 0.571 | 72% | 0.721 | S | S | * | * | trans | -104.8 | 115.5 | 177 | 21.8 | 0 | 0 | 0 | 0 | 108.7 | H6 | T4-H6 PolarHBondContact O-N 2.98Š| ||
| 5 | L | 28.9 | Very low | 27.9 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 62% | 0.618 | 72% | 0.723 | S | S | * | * | trans | -74.6 | 106.5 | 170 | -157.1 | 97.5 | 0 | 0 | 0 | 107.8 | Q7 | L5-Q7 HydrophobicContact CD2-CG 4.44Å; L5-Q7 PolarHBondContact O-N 2.93Å | ||
| 6 | H | 32.1 | Very low | 27.7 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 65% | 0.648 | 71% | 0.712 | S | S | * | * | trans | -79.8 | 94.6 | 170 | -91.2 | -64 | 0 | 0 | 0 | 109.1 | T4 D8 | T4-H6 PolarHBondContact O-N 2.98Å; H6-D8 PolarHBondContact O-N 3.06Å | ||
| 7 | Q | 28.6 | Very low | 27.6 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | -65.1 | 110.8 | 162 | -96.9 | 176.9 | -13.6 | 0 | 0 | 108.3 | L5 K9 | L5-Q7 HydrophobicContact CD2-CG 4.44Å; L5-Q7 PolarHBondContact O-N 2.93Å; Q7-K9 PolarHBondContact O-N 2.87Å | ||
| 8 | D | 29.9 | Very low | 27.5 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | trans | -60.7 | 123.6 | 161.6 | -104 | -19.2 | 0 | 0 | 0 | 108 | H6 W10 | H6-D8 PolarHBondContact O-N 3.06Å; D8-W10 VanDerWaalsContact C-N 3.33Å; D8-W10 PolarHBondContact O-N 3.21Å | ||
| 9 | K | 25.5 | Very low | 27.5 | Very low | 211 Ų | 211 | 138.9 Ų | 138.9 | 92% | 0.917 | 71% | 0.711 | S | S | * | * | trans | -64.8 | 94.3 | 172.8 | -81.7 | -178.4 | 175.3 | 178.5 | 0 | 108.2 | Q7 D11 | Q7-K9 PolarHBondContact O-N 2.87Å; K9-D11 PolarHBondContact O-N 3.49Å | ||
| 10 | W | 30.9 | Very low | 27.4 | Very low | 201 Ų | 201 | 135.4 Ų | 135.4 | 76% | 0.761 | 69% | 0.694 | S | S | * | * | trans | -73.5 | 118.6 | 168.4 | -67.6 | 86.4 | 0 | 0 | 0 | 108.8 | D8 Q12 | D8-W10 VanDerWaalsContact C-N 3.33Å; D8-W10 PolarHBondContact O-N 3.21Å; W10-Q12 PolarHBondContact O-N 3.08Å | ||
| 11 | D | 25 | Very low | 27.3 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | trans | -47.9 | 100.5 | 172.4 | -137 | 17.3 | 0 | 0 | 0 | 108.8 | K9 R13 | K9-D11 PolarHBondContact O-N 3.49Å; D11-R13 PolarHBondContact O-N 2.83Å; D11-R13 IonicContact OD2-CZ 3.37Å; D11-R13 IonicContact OD2-NE 2.83Å; D11-R13 PolarHBondContact OD2-NE 2.99Å; D11-R13 IonicContact OD2-NH2 2.85Å; D11-R13 PolarHBondContact OD2-NH2 3.46Å | ||
| 12 | Q | 24.8 | Very low | 27.1 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | trans | -71.5 | 81 | 175.6 | -159.8 | 176.3 | 27 | 0 | 0 | 107.2 | W10 | W10-Q12 PolarHBondContact O-N 3.08Š| ||
| 13 | R | 25.7 | Very low | 27.3 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 65% | 0.645 | 68% | 0.683 | S | S | * | * | trans | -92.2 | 109.7 | 169.2 | -65.9 | -168.9 | -155 | -174.4 | 6.8 | 108.3 | D11 F15 | D11-R13 PolarHBondContact O-N 2.83Å; D11-R13 IonicContact OD2-CZ 3.37Å; D11-R13 IonicContact OD2-NE 2.83Å; D11-R13 PolarHBondContact OD2-NE 2.99Å; D11-R13 IonicContact OD2-NH2 2.85Å; D11-R13 PolarHBondContact OD2-NH2 3.46Å; R13-F15 HydrophobicContact CB-CD2 4.23Å; R13-F15 HydrophobicContact CB-CE2 3.98Å; R13-F15 WeakPolarHBondContact O-CD2 3.3Å; R13-F15 PolarHBondContact O-N 2.9Å | ||
| 14 | D | 25 | Very low | 27.3 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | trans | -53.2 | 98.9 | 163.6 | -71.3 | -36.8 | 0 | 0 | 0 | 109 | G16 | D14-G16 PolarHBondContact O-N 3.41Š| ||
| 15 | F | 28.9 | Very low | 27.2 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | trans | -84.3 | 90 | 170 | -85.6 | -83 | 0 | 0 | 0 | 108.4 | R13 | R13-F15 HydrophobicContact CB-CD2 4.23Å; R13-F15 HydrophobicContact CB-CE2 3.98Å; R13-F15 WeakPolarHBondContact O-CD2 3.3Å; R13-F15 PolarHBondContact O-N 2.9Å | ||
| 16 | G | 24.8 | Very low | 27.2 | Very low | 53 Ų | 53 | 138.1 Ų | 138.1 | 55% | 0.546 | 71% | 0.707 | S | S | . | * | trans | -64.6 | 138.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D14 T18 | D14-G16 PolarHBondContact O-N 3.41Å; G16-T18 VanDerWaalsContact C-N 3.32Å; G16-T18 PolarHBondContact O-N 3.38Å; G16-T18 PolarHBondContact O-OG1 3.41Å | ||
| 17 | D | 26.3 | Very low | 27.1 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 95% | 0.952 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 45.4 | 27.7 | 151.6 | -79.2 | -10.8 | 0 | 0 | 0 | 120.3 | ||
| 18 | T | 26.1 | Very low | 27.2 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | trans | -130.4 | 111 | -178.3 | 38.4 | 0 | 0 | 0 | 0 | 114.6 | G16 | G16-T18 VanDerWaalsContact C-N 3.32Å; G16-T18 PolarHBondContact O-N 3.38Å; G16-T18 PolarHBondContact O-OG1 3.41Å | ||
| 19 | S | 26.6 | Very low | 27.3 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | trans | 38.5 | 119.5 | 145.4 | 52.4 | 0 | 0 | 0 | 0 | 119.9 | C21 F35 | S19-C21 PolarHBondContact O-N 2.93Å; S19-F35 PolarHBondContact OG-O 2.79Å | ||
| 20 | L | 26.4 | Very low | 27.4 | Very low | 69 Ų | 69 | 138 Ų | 138 | 36% | 0.361 | 72% | 0.718 | S | S | . | * | trans | -30.7 | 125 | 168.9 | -103.4 | 112.8 | 0 | 0 | 0 | 115.8 | V22 | L20-V22 HydrophobicContact CD2-CG2 4.39Š| ||
| 21 | C | 25.8 | Very low | 27.4 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 53% | 0.534 | 72% | 0.716 | S | S | . | * | trans | -104 | 117.8 | 166.1 | -102.8 | 0 | 0 | 0 | 0 | 109.5 | S19 F23 | S19-C21 PolarHBondContact O-N 2.93Å; C21-F23 HydrophobicContact CB-CD2 4.36Å; C21-F23 HydrophobicContact CB-CE2 3.59Å; C21-F23 HydrophobicContact CB-CZ 3.7Å | ||
| 22 | V | 26.4 | Very low | 27.8 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | trans | -104.7 | 115.7 | 168.1 | -179.6 | 0 | 0 | 0 | 0 | 108 | L20 | L20-V22 HydrophobicContact CD2-CG2 4.39Š| ||
| 23 | F | 29.7 | Very low | 28 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | trans | -96.4 | 132.5 | 179 | -60.8 | -81.1 | 0 | 0 | 0 | 110.8 | C21 | C21-F23 HydrophobicContact CB-CD2 4.36Å; C21-F23 HydrophobicContact CB-CE2 3.59Å; C21-F23 HydrophobicContact CB-CZ 3.7Å | ||
| 24 | K | 27.6 | Very low | 28.1 | Very low | 203 Ų | 203 | 133.7 Ų | 133.7 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | trans | -121.2 | 106.6 | 156.8 | -176.1 | 178 | 179.8 | 177.9 | 0 | 106.7 | ||||
| 25 | S | 27.2 | Very low | 28.2 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | trans | -86.2 | 129.4 | 174.6 | 72.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 26 | S | 27.4 | Very low | 28.1 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | trans | -140.9 | 108.8 | 158.7 | 70.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 27 | G | 31.4 | Very low | 28.3 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 60.2 | 120.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | K29 | G27-K29 VanDerWaalsContact C-N 3.27Å; G27-K29 PolarHBondContact O-N 3.02Å |
| 28 | N | 30.2 | Very low | 28.3 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 34.8 | 15.9 | 150 | -75.2 | -3.7 | 0 | 0 | 0 | 123.1 | ||
| 29 | K | 30.6 | Very low | 28.3 | Very low | 175 Ų | 175 | 140 Ų | 140 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | trans | -136.6 | 108.3 | 165.4 | -71.7 | -174 | 179.2 | 177.3 | 0 | 110.6 | G27 N31 | G27-K29 VanDerWaalsContact C-N 3.27Å; G27-K29 PolarHBondContact O-N 3.02Å; K29-N31 PolarHBondContact O-N 2.95Å; K29-N31 VanDerWaalsContact O-N 3.07Å | ||
| 30 | R | 29.3 | Very low | 28.3 | Very low | 216 Ų | 216 | 142.1 Ų | 142.1 | 82% | 0.815 | 73% | 0.726 | S | S | * | * | trans | -68.6 | 98.2 | 166 | -79.2 | -177.1 | 177.3 | 171.9 | -0.1 | 108.4 | ||||
| 31 | N | 30.6 | Very low | 28.3 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -94.7 | 110.3 | 164.4 | -71.7 | -25.7 | 0 | 0 | 0 | 107.7 | K29 I33 | K29-N31 PolarHBondContact O-N 2.95Å; K29-N31 VanDerWaalsContact O-N 3.07Å; N31-I33 PolarHBondContact O-N 3.22Å | ||
| 32 | H | 32.2 | Very low | 28.3 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | trans | -72.8 | 117.5 | 171 | -64.7 | -90.6 | 0 | 0 | 0 | 108.3 | Y34 | H32-Y34 HydrophobicContact CB-CD2 4.22Å; H32-Y34 HydrophobicContact CB-CE2 3.63Å | ||
| 33 | I | 29 | Very low | 28.2 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -107.6 | 107.5 | 167.4 | -56.6 | 177.6 | 0 | 0 | 0 | 105.8 | N31 F35 | N31-I33 PolarHBondContact O-N 3.22Å; I33-F35 HydrophobicContact CG2-CE2 4.15Å; I33-F35 HydrophobicContact CG2-CZ 4.19Å | ||
| 34 | Y | 28.6 | Very low | 28.1 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -82.5 | 129.2 | 172.8 | -65.8 | -88.1 | 0 | 0 | 0 | 108.5 | H32 | H32-Y34 HydrophobicContact CB-CD2 4.22Å; H32-Y34 HydrophobicContact CB-CE2 3.63Å | ||
| 35 | F | 26.9 | Very low | 28.2 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 61% | 0.605 | 77% | 0.767 | S | S | * | * | trans | -97.2 | 90.4 | 163.7 | -67.6 | -82.7 | 0 | 0 | 0 | 107.2 | S19 I33 | S19-F35 PolarHBondContact OG-O 2.79Å; I33-F35 HydrophobicContact CG2-CE2 4.15Å; I33-F35 HydrophobicContact CG2-CZ 4.19Å | ||
| 36 | E | 27.8 | Very low | 28.1 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -76.1 | 142.7 | 159.5 | -87.8 | -177.6 | 156.5 | 0 | 0 | 108.8 | ||||
| 37 | G | 28 | Very low | 28.1 | Very low | 67 Ų | 67 | 158.4 Ų | 158.4 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -55.8 | 171.6 | -172 | 0 | 0 | 0 | 0 | 0 | 115.7 | R39 | G37-R39 PolarHBondContact O-N 3.13Å; G37-R39 VanDerWaalsContact O-N 3.14Å |
| 38 | E | 27.5 | Very low | 28 | Very low | 182 Ų | 182 | 160.4 Ų | 160.4 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 8 | 89 | 165.6 | -63.5 | -172.4 | 163.5 | 0 | 0 | 116.2 | ||
| 39 | R | 25.4 | Very low | 27.9 | Very low | 223 Ų | 223 | 157.4 Ų | 157.4 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 154.7 | 131.3 | 135.6 | -80.1 | 152.1 | -167.9 | -160.1 | 2.6 | 110.9 | G37 | G37-R39 PolarHBondContact O-N 3.13Å; G37-R39 VanDerWaalsContact O-N 3.14Å |
| 40 | T | 26.7 | Very low | 27.8 | Very low | 124 Ų | 124 | 158.7 Ų | 158.7 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | 65.2 | 98.3 | 160.3 | 49.5 | 0 | 0 | 0 | 0 | 118.7 | C42 | T40-C42 PolarHBondContact O-N 2.94Å; T40-C42 VanDerWaalsContact O-N 3.11Å | ||
| 41 | V | 25.9 | Very low | 27.7 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 96.9 | 158.9 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | K43 | V41-K43 PolarHBondContact O-N 3.39Š| ||
| 42 | C | 25.7 | Very low | 27.4 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | -83.5 | 105.9 | 173.5 | -74.6 | 0 | 0 | 0 | 0 | 110.8 | T40 K44 | T40-C42 PolarHBondContact O-N 2.94Å; T40-C42 VanDerWaalsContact O-N 3.11Å; C42-K44 PolarHBondContact O-N 3.42Å | ||
| 43 | K | 25.5 | Very low | 27 | Very low | 200 Ų | 200 | 156.9 Ų | 156.9 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -61.2 | 119.7 | 158.9 | -92.4 | 179.4 | 174.9 | 173.7 | 0 | 108.6 | V41 | V41-K43 PolarHBondContact O-N 3.39Š| ||
| 44 | K | 27.4 | Very low | 26.8 | Very low | 209 Ų | 209 | 156.1 Ų | 156.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -99.6 | 115.8 | 163.4 | -132.4 | 179.9 | -174.1 | 178.1 | 0 | 109.5 | C42 | C42-K44 PolarHBondContact O-N 3.42Š| ||
| 45 | P | 28.3 | Very low | 26.5 | Very low | 108 Ų | 108 | 154.2 Ų | 154.2 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -94.8 | 149.6 | 178.1 | 34.7 | -30 | 0 | 0 | 0 | 113.2 | ||||
| 46 | R | 26.2 | Very low | 26.3 | Very low | 240 Ų | 240 | 152 Ų | 152 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | 61.3 | 115.9 | 147.9 | -73.7 | -177 | 171.3 | 162.8 | -1.8 | 121.4 | ||||
| 47 | L | 28.2 | Very low | 26.1 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 94% | 0.937 | 81% | 0.811 | S | S | * | * | trans | -147.6 | 135.5 | 137.2 | -74.7 | 168.2 | 0 | 0 | 0 | 105.5 | ||||
| 48 | S | 28.6 | Very low | 25.9 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | cis | -163.7 | 172 | -0.1 | 72.9 | 0 | 0 | 0 | 0 | 108.7 | K50 | S48-K50 PolarHBondContact O-N 3.39Š| ||
| 49 | A | 27.7 | Very low | 25.7 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 53.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 50 | K | 29.6 | Very low | 25.7 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -124.4 | 99 | 160.2 | -79.8 | -171.6 | 177 | -178.3 | 0 | 109.9 | S48 Q52 | S48-K50 PolarHBondContact O-N 3.39Å; K50-Q52 PolarHBondContact O-N 3.41Å | ||
| 51 | G | 25.7 | Very low | 25.5 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -63.3 | 119.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 52 | Q | 25.1 | Very low | 25.5 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -145.6 | 116.7 | 141.3 | -109.1 | 172.2 | -17.8 | 0 | 0 | 105.6 | K50 C54 | K50-Q52 PolarHBondContact O-N 3.41Å; Q52-C54 PolarHBondContact O-N 3.5Å | ||
| 53 | E | 23.5 | Very low | 25.6 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -54.4 | 103.9 | 169.2 | -69.9 | 172 | 139.3 | 0 | 0 | 108.4 | ||||
| 54 | C | 24.4 | Very low | 25.7 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -99.5 | 80.6 | 157.8 | -79.1 | 0 | 0 | 0 | 0 | 107.1 | Q52 S56 | Q52-C54 PolarHBondContact O-N 3.5Å; C54-S56 PolarHBondContact O-N 3.23Å | ||
| 55 | I | 23.1 | Very low | 25.8 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -64.3 | 78.8 | 141.4 | -58.1 | 171.9 | 0 | 0 | 0 | 104.3 | T57 | I55-T57 PolarHBondContact O-N 3.01Š| ||
| 56 | S | 23.2 | Very low | 25.7 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | -77.7 | 89.5 | 168.5 | 52 | 0 | 0 | 0 | 0 | 105.5 | C54 V58 | C54-S56 PolarHBondContact O-N 3.23Å; S56-V58 PolarHBondContact O-N 3.11Å | ||
| 57 | T | 22.8 | Very low | 26.1 | Very low | 114 Ų | 114 | 129 Ų | 129 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -32.5 | 114.2 | 148.4 | 2.2 | 0 | 0 | 0 | 0 | 106.7 | I55 S59 | I55-T57 PolarHBondContact O-N 3.01Å; T57-S59 PolarHBondContact O-N 3.43Å | ||
| 58 | V | 24 | Very low | 26.1 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -73.7 | 73.8 | 168 | -177 | 0 | 0 | 0 | 0 | 105.3 | S56 S60 | S56-V58 PolarHBondContact O-N 3.11Å; V58-S60 VanDerWaalsContact C-N 3.28Å; V58-S60 PolarHBondContact O-N 3.11Å; V58-S60 VanDerWaalsContact O-N 3.14Å | ||
| 59 | S | 22.7 | Very low | 26.5 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | trans | -67 | 99.7 | 153.8 | 48.7 | 0 | 0 | 0 | 0 | 104.5 | T57 E61 | T57-S59 PolarHBondContact O-N 3.43Å; S59-E61 PolarHBondContact O-N 3.5Å | ||
| 60 | S | 25.2 | Very low | 26.5 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | trans | -53.5 | 107.5 | 147.7 | 49.6 | 0 | 0 | 0 | 0 | 104.7 | V58 I62 | V58-S60 VanDerWaalsContact C-N 3.28Å; V58-S60 PolarHBondContact O-N 3.11Å; V58-S60 VanDerWaalsContact O-N 3.14Å; S60-I62 PolarHBondContact O-N 2.86Å | ||
| 61 | E | 22.7 | Very low | 26.7 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -58.3 | 93.5 | 155.9 | -78.2 | -179.4 | 166 | 0 | 0 | 104.5 | S59 S63 | S59-E61 PolarHBondContact O-N 3.5Å; E61-S63 PolarHBondContact O-N 3.16Å | ||
| 62 | I | 26.2 | Very low | 27.1 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 57% | 0.574 | 69% | 0.685 | S | S | * | * | trans | -57.2 | 103 | 156.8 | -59.6 | 170 | 0 | 0 | 0 | 101.7 | S60 N64 | S60-I62 PolarHBondContact O-N 2.86Å; I62-N64 VanDerWaalsContact CG2-OD1 3.31Å; I62-N64 WeakPolarHBondContact CG2-OD1 3.31Å; I62-N64 PolarHBondContact O-N 2.78Å | ||
| 63 | S | 28.6 | Very low | 27.7 | Very low | 95 Ų | 95 | 117.3 Ų | 117.3 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | trans | -63.6 | 92.2 | 165.9 | 56 | 0 | 0 | 0 | 0 | 105.4 | E61 N65 | E61-S63 PolarHBondContact O-N 3.16Å; S63-N65 PolarHBondContact O-N 2.84Å | ||
| 64 | N | 26.6 | Very low | 28.5 | Very low | 131 Ų | 131 | 112.4 Ų | 112.4 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | trans | -65.1 | 77.8 | 167.2 | -87.7 | -3.2 | 0 | 0 | 0 | 106.5 | I62 E66 | I62-N64 VanDerWaalsContact CG2-OD1 3.31Å; I62-N64 WeakPolarHBondContact CG2-OD1 3.31Å; I62-N64 PolarHBondContact O-N 2.78Å; N64-E66 PolarHBondContact O-N 3.02Å; N64-E66 VanDerWaalsContact O-N 3.09Å | ||
| 65 | N | 29.6 | Very low | 29.3 | Very low | 101 Ų | 101 | 112.3 Ų | 112.3 | 54% | 0.54 | 63% | 0.625 | S | S | . | * | trans | -75.8 | 93.2 | 159.7 | -76.6 | -5 | 0 | 0 | 0 | 105.3 | S63 C67 | S63-N65 PolarHBondContact O-N 2.84Å; N65-C67 PolarHBondContact O-N 2.93Å | ||
| 66 | E | 26.4 | Very low | 30.2 | Very low | 199 Ų | 199 | 109.6 Ų | 109.6 | 93% | 0.93 | 61% | 0.609 | S | S | * | * | trans | -50.1 | 105.3 | 163.5 | -77.9 | -178 | 155.4 | 0 | 0 | 107.7 | N64 | N64-E66 PolarHBondContact O-N 3.02Å; N64-E66 VanDerWaalsContact O-N 3.09Å | ||
| 67 | C | 34.4 | Very low | 30.7 | Very low | 83 Ų | 83 | 112.1 Ų | 112.1 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | trans | -136.4 | 98.9 | 178.3 | -143.5 | 0 | 0 | 0 | 0 | 107.8 | N65 H69 | N65-C67 PolarHBondContact O-N 2.93Å; C67-H69 PolarHBondContact O-N 3.48Å; C67-H69 VanDerWaalsContact O-N 3.12Å; C67-H69 PolarHBondContact SG-CD2 3.09Å | ||
| 68 | T | 29.1 | Very low | 31 | Very low | 131 Ų | 131 | 108.6 Ų | 108.6 | 80% | 0.804 | 60% | 0.601 | S | S | * | * | trans | -75.4 | 89.9 | 175.3 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 69 | H | 35.6 | Very low | 31.3 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 56% | 0.56 | 60% | 0.602 | S | S | * | * | trans | -129.3 | 125 | 166.8 | -67.1 | -62.7 | 0 | 0 | 0 | 112 | C67 | C67-H69 PolarHBondContact O-N 3.48Å; C67-H69 VanDerWaalsContact O-N 3.12Å; C67-H69 PolarHBondContact SG-CD2 3.09Å | ||
| 70 | T | 28.7 | Very low | 31.8 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 129.6 | 163.8 | 45.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 71 | N | 34.2 | Very low | 32 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.5 | 15 | 169.1 | -47.8 | -13.3 | 0 | 0 | 0 | 118.6 | Y73 | N71-Y73 WeakPolarHBondContact O-CD2 3.45Å; N71-Y73 WeakPolarHBondContact O-CE2 3.38Å; N71-Y73 PolarHBondContact O-N 3.14Å |
| 72 | G | 33.2 | Very low | 32.3 | Very low | 25 Ų | 25 | 115.2 Ų | 115.2 | 26% | 0.258 | 62% | 0.619 | S | S | . | * | S | Bend | trans | 77.5 | 13.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 73 | Y | 36.8 | Very low | 32.7 | Very low | 88 Ų | 88 | 113.5 Ų | 113.5 | 35% | 0.345 | 61% | 0.611 | S | S | . | * | trans | -112.7 | 132.5 | 173.9 | -57.7 | -78.5 | 0 | 0 | 0 | 111.1 | N71 F152 L161 | N71-Y73 WeakPolarHBondContact O-CD2 3.45Å; N71-Y73 WeakPolarHBondContact O-CE2 3.38Å; N71-Y73 PolarHBondContact O-N 3.14Å; Y73-F152 HydrophobicContact CD2-CD2 4.25Å; Y73-F152 HydrophobicContact CD2-CE2 4.34Å; Y73-F152 HydrophobicContact CE2-CD2 4.47Å; Y73-F152 HydrophobicContact CG-CE2 4.24Å; Y73-L161 HydrophobicContact CE1-CD1 4.31Å; Y73-L161 HydrophobicContact CE1-CD2 4Å; Y73-L161 VanDerWaalsContact OH-CD1 3.29Å; Y73-L161 WeakPolarHBondContact OH-CD1 3.46Å | ||
| 74 | Q | 41.2 | Very low | 33 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 39% | 0.388 | 61% | 0.611 | S | S | . | * | trans | -101.7 | 122.3 | 171 | -178.5 | 173.8 | 8 | 0 | 0 | 109.6 | H76 L121 | Q74-H76 PolarHBondContact O-N 2.89Å; Q74-L121 HydrophobicContact CB-CD2 3.23Å; Q74-L121 HydrophobicContact CG-CD2 4.34Å | ||
| 75 | K | 41.7 | Very low | 33.6 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 47% | 0.47 | 60% | 0.597 | S | S | . | * | B | Isolated β-bridge | trans | -69.1 | 117.5 | 169.8 | -163.5 | 168.7 | -169.3 | 157.8 | 0 | 108.1 | L77 E103 | K75-L77 PolarHBondContact O-N 3.38Å; K75-L77 VanDerWaalsContact O-N 3.14Å; K75-E103 IonicContact NZ-OE1 3.84Å |
| 76 | H | 41.2 | Very low | 33.9 | Very low | 93 Ų | 93 | 114.4 Ų | 114.4 | 43% | 0.431 | 59% | 0.593 | S | S | . | * | trans | -65.5 | 113 | 179.1 | -124.1 | -62 | 0 | 0 | 0 | 109.8 | Q74 Q106 | Q74-H76 PolarHBondContact O-N 2.89Å; H76-Q106 PolarHBondContact CD2-OE1 3.33Å; H76-Q106 PolarHBondContact NE2-OE1 3.2Å | ||
| 77 | L | 34.2 | Very low | 34.6 | Very low | 145 Ų | 145 | 110.3 Ų | 110.3 | 76% | 0.759 | 57% | 0.57 | S | S | * | * | trans | -116.7 | 11.6 | 174.8 | -105.2 | 147 | 0 | 0 | 0 | 112.1 | K75 | K75-L77 PolarHBondContact O-N 3.38Å; K75-L77 VanDerWaalsContact O-N 3.14Å | ||
| 78 | G | 27.7 | Very low | 34.8 | Very low | 41 Ų | 41 | 113.5 Ų | 113.5 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | trans | -138.4 | 82.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 79 | N | 30.7 | Very low | 35.5 | Very low | 138 Ų | 138 | 112 Ų | 112 | 74% | 0.738 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 175.4 | 91.8 | 135.3 | -92.4 | -24.1 | 0 | 0 | 0 | 110.1 | L81 | N79-L81 PolarHBondContact O-N 3.23Š|
| 80 | K | 33.9 | Very low | 35.8 | Very low | 216 Ų | 216 | 113.3 Ų | 113.3 | 94% | 0.939 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 46.5 | 9.2 | 158.8 | -74.3 | -169.2 | 178.3 | -177 | 0 | 121 | ||
| 81 | L | 30 | Very low | 36.2 | Very low | 157 Ų | 157 | 114.2 Ų | 114.2 | 82% | 0.822 | 57% | 0.572 | S | S | * | * | trans | -110.3 | 120.1 | 156.8 | -93.2 | 86.9 | 0 | 0 | 0 | 107.6 | N79 L83 | N79-L81 PolarHBondContact O-N 3.23Å; L81-L83 PolarHBondContact O-N 3.39Å | ||
| 82 | P | 28.2 | Very low | 36.8 | Very low | 108 Ų | 108 | 112.4 Ų | 112.4 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | trans | -56.8 | 143.1 | 167.7 | 26.3 | -30.7 | 0 | 0 | 0 | 107.3 | K84 | P82-K84 VanDerWaalsContact C-N 3.29Å; P82-K84 PolarHBondContact O-N 3.43Å | ||
| 83 | L | 34.9 | Very low | 37.2 | Very low | 76 Ų | 76 | 117.7 Ų | 117.7 | 40% | 0.398 | 59% | 0.592 | S | S | . | * | trans | -41.6 | 104.7 | 156.9 | -93.3 | 150.7 | 0 | 0 | 0 | 106.5 | L81 K85 | L81-L83 PolarHBondContact O-N 3.39Å; L83-K85 HydrophobicContact CB-CG 4.44Å; L83-K85 PolarHBondContact O-N 3.13Å | ||
| 84 | K | 34.5 | Very low | 37.9 | Very low | 153 Ų | 153 | 117.2 Ų | 117.2 | 67% | 0.665 | 60% | 0.602 | S | S | * | * | trans | -78.6 | 77.7 | 177.5 | -148.1 | -172.6 | -176.6 | -154.3 | 0 | 104.8 | P82 E86 | P82-K84 VanDerWaalsContact C-N 3.29Å; P82-K84 PolarHBondContact O-N 3.43Å; K84-E86 HydrophobicContact CD-CG 4.23Å; K84-E86 WeakPolarHBondContact CD-OE1 3.37Å; K84-E86 WeakPolarHBondContact CE-OE1 3.46Å; K84-E86 HydrophobicContact CG-CG 4.07Å; K84-E86 IonicContact NZ-OE1 2.66Å; K84-E86 PolarHBondContact NZ-OE1 3.38Å; K84-E86 PolarHBondContact O-N 2.9Å | ||
| 85 | K | 39.2 | Very low | 38.3 | Very low | 92 Ų | 92 | 121.6 Ų | 121.6 | 40% | 0.4 | 62% | 0.622 | S | S | . | * | trans | -67.9 | 92.7 | 166.8 | -68 | -172.5 | 178.8 | -175.2 | 0 | 105.5 | L83 Y87 | L83-K85 HydrophobicContact CB-CG 4.44Å; L83-K85 PolarHBondContact O-N 3.13Å; K85-Y87 HydrophobicContact CB-CD2 4.37Å; K85-Y87 HydrophobicContact CB-CE1 4.33Å; K85-Y87 HydrophobicContact CB-CE2 3.58Å; K85-Y87 WeakPolarHBondContact CD-OH 3.33Å; K85-Y87 WeakPolarHBondContact O-CD2 3.39Å; K85-Y87 VanDerWaalsContact O-CE2 3.25Å; K85-Y87 WeakPolarHBondContact O-CE2 3.47Å | ||
| 86 | E | 36.8 | Very low | 38.8 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 47% | 0.472 | 62% | 0.621 | S | S | . | * | trans | -83 | 118 | 169.4 | -68.8 | -171.9 | 167.2 | 0 | 0 | 107.5 | K84 | K84-E86 HydrophobicContact CD-CG 4.23Å; K84-E86 WeakPolarHBondContact CD-OE1 3.37Å; K84-E86 WeakPolarHBondContact CE-OE1 3.46Å; K84-E86 HydrophobicContact CG-CG 4.07Å; K84-E86 IonicContact NZ-OE1 2.66Å; K84-E86 PolarHBondContact NZ-OE1 3.38Å; K84-E86 PolarHBondContact O-N 2.9Å | ||
| 87 | Y | 40.6 | Very low | 39.6 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 44% | 0.443 | 62% | 0.617 | S | S | . | * | trans | -102.4 | 117.9 | 178.1 | -54 | -92.1 | 0 | 0 | 0 | 107.5 | K85 I99 L144 | K85-Y87 HydrophobicContact CB-CD2 4.37Å; K85-Y87 HydrophobicContact CB-CE1 4.33Å; K85-Y87 HydrophobicContact CB-CE2 3.58Å; K85-Y87 WeakPolarHBondContact CD-OH 3.33Å; K85-Y87 WeakPolarHBondContact O-CD2 3.39Å; K85-Y87 VanDerWaalsContact O-CE2 3.25Å; K85-Y87 WeakPolarHBondContact O-CE2 3.47Å; Y87-I99 HydrophobicContact CD1-CD1 4.18Å; Y87-I99 HydrophobicContact CD1-CG2 3.51Å; Y87-I99 HydrophobicContact CE1-CG2 4.04Å; Y87-L144 HydrophobicContact CE1-CD1 4.26Å; Y87-L144 HydrophobicContact CE1-CD2 3.95Å | ||
| 88 | E | 38.4 | Very low | 40.8 | Very low | 150 Ų | 150 | 116.3 Ų | 116.3 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | trans | -98.4 | 111.3 | 163.2 | -76.9 | -172.1 | 156.8 | 0 | 0 | 108.4 | M90 | E88-M90 PolarHBondContact O-N 2.88Š| ||
| 89 | L | 43 | Very low | 42.4 | Very low | 99 Ų | 99 | 115.1 Ų | 115.1 | 52% | 0.518 | 58% | 0.584 | S | S | . | * | trans | -84.4 | 105.2 | 176.8 | -158.4 | 85.5 | 0 | 0 | 0 | 108.8 | N91 | L89-N91 WeakPolarHBondContact CD2-OD1 3.15Å; L89-N91 PolarHBondContact O-N 2.99Å | ||
| 90 | M | 41.5 | Very low | 43.9 | Very low | 148 Ų | 148 | 110.4 Ų | 110.4 | 73% | 0.729 | 56% | 0.559 | S | S | * | * | trans | -80.8 | 101.3 | 169 | -71.6 | -91.6 | -101.7 | 0 | 0 | 108.3 | E88 D92 | E88-M90 PolarHBondContact O-N 2.88Å; M90-D92 PolarHBondContact O-N 3.46Å; M90-D92 VanDerWaalsContact O-N 3.09Å | ||
| 91 | N | 38.4 | Very low | 45.3 | Very low | 135 Ų | 135 | 100.9 Ų | 100.9 | 72% | 0.722 | 52% | 0.519 | S | S | * | . | trans | -72.1 | 97.6 | 179.8 | -81.5 | -26 | 0 | 0 | 0 | 111.4 | L89 | L89-N91 WeakPolarHBondContact CD2-OD1 3.15Å; L89-N91 PolarHBondContact O-N 2.99Å | ||
| 92 | D | 46.1 | Very low | 46.9 | Very low | 91 Ų | 91 | 97 Ų | 97 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | trans | -107 | 119.2 | 153 | -165.8 | -34.9 | 0 | 0 | 0 | 108 | M90 S94 | M90-D92 PolarHBondContact O-N 3.46Å; M90-D92 VanDerWaalsContact O-N 3.09Å; D92-S94 PolarHBondContact O-N 2.79Å; D92-S94 PolarHBondContact OD1-N 2.99Å; D92-S94 PolarHBondContact OD1-OG 3.32Å | ||
| 93 | P | 42.9 | Very low | 48.4 | Very low | 137 Ų | 137 | 92.7 Ų | 92.7 | 89% | 0.89 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -69.1 | 8 | -177 | 27.6 | -33.4 | 0 | 0 | 0 | 114.2 | ||
| 94 | S | 49.6 | Very low | 49.6 | Very low | 77 Ų | 77 | 92.4 Ų | 92.4 | 54% | 0.538 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -122.9 | 93.9 | 179.7 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | D92 N96 | D92-S94 PolarHBondContact O-N 2.79Å; D92-S94 PolarHBondContact OD1-N 2.99Å; D92-S94 PolarHBondContact OD1-OG 3.32Å; S94-N96 PolarHBondContact O-N 2.96Å |
| 95 | Q | 50.5 | Low | 51 | Low | 175 Ų | 175 | 86.2 Ų | 86.2 | 82% | 0.818 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 80.2 | -9.9 | 151.4 | -65.7 | -167.4 | -18.4 | 0 | 0 | 123.2 | ||
| 96 | N | 53 | Low | 52.2 | Low | 82 Ų | 82 | 83 Ų | 83 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | trans | -149.5 | 135 | 171.3 | -80.8 | -44 | 0 | 0 | 0 | 111.8 | S94 | S94-N96 PolarHBondContact O-N 2.96Š| ||
| 97 | H | 58.2 | Low | 53.5 | Low | 75 Ų | 75 | 79 Ų | 79 | 35% | 0.347 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.5 | 172.9 | -65.7 | -2.9 | 0 | 0 | 0 | 108.9 | I138 | H97-I138 PolarHBondContact N-O 3.22Å; H97-I138 PolarHBondContact O-N 3.48Å |
| 98 | I | 59.2 | Low | 54.5 | Low | 78 Ų | 78 | 74.8 Ų | 74.8 | 40% | 0.4 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.1 | 173.8 | -58.4 | 175.1 | 0 | 0 | 0 | 107.8 | P135 | I98-P135 HydrophobicContact CG2-CB 3.79Å |
| 99 | I | 61.4 | Low | 55.7 | Low | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.087 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.5 | 174.6 | -63.8 | -163.9 | 0 | 0 | 0 | 108.9 | Y87 I101 P135 V136 I138 L144 | Y87-I99 HydrophobicContact CD1-CD1 4.18Å; Y87-I99 HydrophobicContact CD1-CG2 3.51Å; Y87-I99 HydrophobicContact CE1-CG2 4.04Å; I99-I101 HydrophobicContact CG2-CG1 4.32Å; I99-P135 CarbonylContact O-C 3.54Å; I99-P135 WeakPolarHBondContact O-CA 3.31Å; I99-V136 PolarHBondContact N-O 2.95Å; I99-V136 PolarHBondContact O-N 2.79Å; I99-I138 HydrophobicContact CB-CD1 4.34Å; I99-I138 HydrophobicContact CD1-CD1 3.35Å; I99-I138 HydrophobicContact CD1-CG1 4.26Å; I99-I138 HydrophobicContact CG1-CD1 3.9Å; I99-I138 HydrophobicContact CG1-CG1 4.33Å; I99-L144 HydrophobicContact CD1-CD2 3.68Å |
| 100 | T | 62.4 | Low | 56.7 | Low | 38 Ų | 38 | 70.7 Ų | 70.7 | 23% | 0.233 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.3 | 171.3 | -50.2 | 0 | 0 | 0 | 0 | 110.1 | H102 T133 | T100-H102 VanDerWaalsContact CG2-CE1 3.44Å; T100-H102 WeakPolarHBondContact CG2-CE1 3.42Å; T100-T133 HydrophobicContact CG2-CG2 3.4Å |
| 101 | I | 63.1 | Low | 57.8 | Low | 16 Ų | 16 | 65.5 Ų | 65.5 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.4 | 178.4 | -55.8 | -167.8 | 0 | 0 | 0 | 108.9 | I99 E103 T133 Y134 V136 L148 | I99-I101 HydrophobicContact CG2-CG1 4.32Å; I101-E103 HydrophobicContact CG2-CG 3.89Å; I101-T133 CarbonylContact O-C 3.55Å; I101-T133 VanDerWaalsContact O-CA 3.24Å; I101-T133 WeakPolarHBondContact O-CA 3.31Å; I101-Y134 HydrophobicContact CB-CD1 4.3Å; I101-Y134 HydrophobicContact CB-CD2 4.05Å; I101-Y134 HydrophobicContact CB-CE1 3.98Å; I101-Y134 HydrophobicContact CB-CE2 3.7Å; I101-Y134 HydrophobicContact CB-CG 4.37Å; I101-Y134 HydrophobicContact CD1-CE2 3.71Å; I101-Y134 HydrophobicContact CG1-CD2 4.48Å; I101-Y134 HydrophobicContact CG1-CE2 4.06Å; I101-Y134 HydrophobicContact CG2-CE1 3.78Å; I101-Y134 HydrophobicContact CG2-CE2 4.05Å; I101-Y134 PolarHBondContact N-O 3.19Å; I101-Y134 PolarHBondContact O-N 3.02Å; I101-V136 HydrophobicContact CD1-CB 4.04Å; I101-V136 HydrophobicContact CD1-CG2 3.4Å; I101-V136 VanDerWaalsContact CD1-CG2 3.4Å; I101-V136 HydrophobicContact CG1-CB 4.42Å; I101-V136 HydrophobicContact CG1-CG2 3.9Å; I101-L148 HydrophobicContact CD1-CD1 3.39Å; I101-L148 HydrophobicContact CD1-CD2 3.59Å; I101-L148 HydrophobicContact CD1-CG 3.99Å |
| 102 | H | 63 | Low | 58.9 | Low | 76 Ų | 76 | 64.2 Ų | 64.2 | 35% | 0.352 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.3 | 175.2 | -66.4 | 69 | 0 | 0 | 0 | 108.6 | T100 V132 T133 | T100-H102 VanDerWaalsContact CG2-CE1 3.44Å; T100-H102 WeakPolarHBondContact CG2-CE1 3.42Å; H102-V132 WeakPolarHBondContact CA-O 3.35Å; H102-T133 PolarHBondContact CD2-OG1 2.96Å; H102-T133 VanDerWaalsContact CE1-CG2 3.43Å; H102-T133 WeakPolarHBondContact CE1-CG2 3.45Å; H102-T133 VanDerWaalsContact NE2-CG2 3.27Å; H102-T133 WeakPolarHBondContact NE2-CG2 3.23Å; H102-T133 PolarHBondContact NE2-OG1 3.46Å |
| 103 | E | 59.8 | Low | 59.4 | Low | 17 Ų | 17 | 65.2 Ų | 65.2 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.7 | -179.8 | -68.6 | -176.9 | 141.3 | 0 | 0 | 110.9 | K75 I101 Y105 E131 V132 Y134 | K75-E103 IonicContact NZ-OE1 3.84Å; I101-E103 HydrophobicContact CG2-CG 3.89Å; E103-Y105 HydrophobicContact CB-CD2 4.39Å; E103-Y105 HydrophobicContact CB-CE2 3.61Å; E103-Y105 PolarHBondContact OE2-OH 2.94Å; E103-E131 CarbonylContact O-C 3.55Å; E103-E131 WeakPolarHBondContact O-CA 3.42Å; E103-V132 PolarHBondContact N-O 3.38Å; E103-V132 PolarHBondContact O-N 3.48Å; E103-Y134 VanDerWaalsContact CD-OH 3.32Å; E103-Y134 HydrophobicContact CG-CE1 4.32Å; E103-Y134 WeakPolarHBondContact OE2-CE1 3.15Å; E103-Y134 PolarHBondContact OE2-OH 3.5Å |
| 104 | T | 60.8 | Low | 60.1 | Low | 71 Ų | 71 | 68.4 Ų | 68.4 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.7 | 177.9 | -51.5 | 0 | 0 | 0 | 0 | 109 | S129 L130 E131 | T104-S129 VanDerWaalsContact CG2-CB 3.4Å; T104-L130 CarbonylContact C-O 3.6Å; T104-L130 WeakPolarHBondContact CA-O 3.5Å; T104-E131 HydrophobicContact CG2-CG 4.09Å |
| 105 | Y | 63.3 | Low | 60.4 | Low | 22 Ų | 22 | 70.8 Ų | 70.8 | 9% | 0.086 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.4 | -175.2 | -63.5 | -84.9 | 0 | 0 | 0 | 110.9 | E103 S129 L130 V132 F152 | E103-Y105 HydrophobicContact CB-CD2 4.39Å; E103-Y105 HydrophobicContact CB-CE2 3.61Å; E103-Y105 PolarHBondContact OE2-OH 2.94Å; Y105-S129 CarbonylContact O-C 3.47Å; Y105-S129 VanDerWaalsContact O-CA 3.3Å; Y105-S129 WeakPolarHBondContact O-CA 3.37Å; Y105-S129 WeakPolarHBondContact O-CB 3.34Å; Y105-L130 PolarHBondContact N-O 2.96Å; Y105-L130 PolarHBondContact O-N 3.31Å; Y105-V132 HydrophobicContact CD2-CG2 4.04Å; Y105-V132 HydrophobicContact CE2-CB 4.35Å; Y105-V132 HydrophobicContact CE2-CG2 4.04Å; Y105-F152 AromaticContact CD1-CE2 3.58Å; Y105-F152 HydrophobicContact CD1-CE2 3.58Å; Y105-F152 AromaticContact CD1-CZ 3.51Å; Y105-F152 HydrophobicContact CD1-CZ 3.51Å; Y105-F152 HydrophobicContact CD2-CE1 4.32Å; Y105-F152 HydrophobicContact CD2-CE2 4.28Å; Y105-F152 AromaticContact CD2-CZ 3.5Å; Y105-F152 HydrophobicContact CD2-CZ 3.5Å; Y105-F152 VanDerWaalsContact CD2-CZ 3.5Å; Y105-F152 HydrophobicContact CE1-CD2 4.36Å; Y105-F152 AromaticContact CE1-CE2 3.17Å; Y105-F152 HydrophobicContact CE1-CE2 3.17Å; Y105-F152 AromaticContact CE1-CZ 3.44Å; Y105-F152 HydrophobicContact CE1-CZ 3.44Å; Y105-F152 VanDerWaalsContact CE1-CZ 3.44Å; Y105-F152 HydrophobicContact CE2-CE1 4.21Å; Y105-F152 AromaticContact CE2-CE2 3.93Å; Y105-F152 HydrophobicContact CE2-CE2 3.93Å; Y105-F152 AromaticContact CE2-CZ 3.42Å; Y105-F152 HydrophobicContact CE2-CZ 3.42Å; Y105-F152 VanDerWaalsContact CE2-CZ 3.42Å; Y105-F152 HydrophobicContact CG-CE2 4.1Å; Y105-F152 AromaticContact CG-CZ 3.53Å; Y105-F152 HydrophobicContact CG-CZ 3.53Å; Y105-F152 AromaticContact CZ-CE2 3.34Å; Y105-F152 AromaticContact CZ-CZ 3.37Å |
| 106 | Q | 64 | Low | 60.7 | Low | 25 Ų | 25 | 68.7 Ų | 68.7 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | trans | -101 | 137.7 | 171.8 | -167.2 | 179.3 | 15.4 | 0 | 0 | 110 | H76 F124 D125 | H76-Q106 PolarHBondContact CD2-OE1 3.33Å; H76-Q106 PolarHBondContact NE2-OE1 3.2Å; Q106-F124 PolarHBondContact NE2-O 2.74Å; Q106-F124 VanDerWaalsContact NE2-O 3.1Å; Q106-D125 PolarHBondContact NE2-OD1 3.39Å | ||
| 107 | L | 64.4 | Low | 60.8 | Low | 18 Ų | 18 | 69.7 Ų | 69.7 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | trans | -74.1 | 143.2 | 173.1 | -84.4 | 164.7 | 0 | 0 | 0 | 111.5 | F124 V127 L164 A165 A168 | L107-F124 HydrophobicContact CB-CD2 4.28Å; L107-F124 PolarHBondContact O-N 3.28Å; L107-V127 HydrophobicContact CB-CG1 4.45Å; L107-V127 HydrophobicContact CD1-CG1 3.62Å; L107-L164 HydrophobicContact CD1-CB 4.06Å; L107-L164 HydrophobicContact CD1-CD2 3.36Å; L107-L164 HydrophobicContact CD1-CG 3.39Å; L107-L164 HydrophobicContact CG-CD2 4.07Å; L107-A165 HydrophobicContact CD2-CB 4.24Å; L107-A168 HydrophobicContact CD1-CB 4.21Å | ||
| 108 | G | 62.6 | Low | 60.6 | Low | 24 Ų | 24 | 71.2 Ų | 71.2 | 25% | 0.247 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 170 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y122 | G108-Y122 CarbonylContact C-O 3.51Å; G108-Y122 WeakPolarHBondContact CA-O 3.33Å |
| 109 | F | 63.1 | Low | 60.5 | Low | 112 Ų | 112 | 74.4 Ų | 74.4 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118 | 175.3 | 174.1 | -99.3 | 0 | 0 | 0 | 110 | N111 L121 Y122 F124 | F109-N111 HydrophobicContact CD1-CB 4.33Å; F109-N111 HydrophobicContact CE1-CB 3.85Å; F109-N111 PolarHBondContact O-N 3.34Å; F109-L121 WeakPolarHBondContact O-CA 3.36Å; F109-Y122 HydrophobicContact CD1-CD2 4.11Å; F109-Y122 PolarHBondContact N-O 3.17Å; F109-Y122 PolarHBondContact O-N 3.07Å; F109-F124 HydrophobicContact CB-CE2 4.47Å; F109-F124 HydrophobicContact CB-CZ 3.95Å |
| 110 | L | 64.7 | Low | 60.2 | Low | 51 Ų | 51 | 77.3 Ų | 77.3 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 107.6 | 175.2 | -175.8 | 68.7 | 0 | 0 | 0 | 109.2 | I112 R119 L121 | L110-I112 HydrophobicContact CD2-CD1 3.94Å; L110-I112 HydrophobicContact CD2-CG1 3.86Å; L110-I112 HydrophobicContact CG-CD1 4.47Å; L110-I112 HydrophobicContact CG-CG1 3.9Å; L110-I112 PolarHBondContact O-N 3.1Å; L110-R119 HydrophobicContact CD1-CB 4.26Å; L110-L121 HydrophobicContact CB-CD1 4.07Å; L110-L121 HydrophobicContact CD1-CB 4.34Å; L110-L121 HydrophobicContact CD1-CD1 4.45Å |
| 111 | N | 64 | Low | 60.1 | Low | 38 Ų | 38 | 77.4 Ų | 77.4 | 20% | 0.203 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 110.9 | 169.9 | -172 | 7.9 | 0 | 0 | 0 | 109.6 | F109 K120 Y122 | F109-N111 HydrophobicContact CD1-CB 4.33Å; F109-N111 HydrophobicContact CE1-CB 3.85Å; F109-N111 PolarHBondContact O-N 3.34Å; N111-K120 HydrophobicContact CB-CB 4.5Å; N111-K120 PolarHBondContact N-O 3.15Å; N111-K120 PolarHBondContact O-N 3.22Å; N111-Y122 HydrophobicContact CB-CD2 4.27Å; N111-Y122 HydrophobicContact CB-CE2 3.78Å |
| 112 | I | 60.6 | Low | 60.1 | Low | 108 Ų | 108 | 82.4 Ų | 82.4 | 55% | 0.554 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 95.1 | 172.4 | -50.9 | 175.4 | 0 | 0 | 0 | 106.5 | L110 | L110-I112 HydrophobicContact CD2-CD1 3.94Å; L110-I112 HydrophobicContact CD2-CG1 3.86Å; L110-I112 HydrophobicContact CG-CD1 4.47Å; L110-I112 HydrophobicContact CG-CG1 3.9Å; L110-I112 PolarHBondContact O-N 3.1Å |
| 113 | M | 57.5 | Low | 60.1 | Low | 113 Ų | 113 | 81.2 Ų | 81.2 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | trans | -68.6 | 143.7 | 168.7 | -64.3 | -63.4 | -131.1 | 0 | 0 | 109.1 | D115 | M113-D115 CarbonylContact O-C 3.19Å; M113-D115 PolarHBondContact O-N 2.79Å; M113-D115 VanDerWaalsContact O-N 3.16Å | ||
| 114 | E | 56.3 | Low | 60.3 | Low | 203 Ų | 203 | 82 Ų | 82 | 95% | 0.949 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -56 | -31.3 | -178.6 | -68.7 | -177.5 | 159.4 | 0 | 0 | 112.4 | N116 | E114-N116 PolarHBondContact O-N 3.22Š|
| 115 | D | 57.8 | Low | 60.5 | Low | 128 Ų | 128 | 85.3 Ų | 85.3 | 68% | 0.684 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -83.8 | 109.4 | 166.5 | -74.3 | -30.3 | 0 | 0 | 0 | 109.1 | M113 S117 | M113-D115 CarbonylContact O-C 3.19Å; M113-D115 PolarHBondContact O-N 2.79Å; M113-D115 VanDerWaalsContact O-N 3.16Å; D115-S117 PolarHBondContact O-N 3.06Å; D115-S117 PolarHBondContact O-OG 3.36Å |
| 116 | N | 56.2 | Low | 60.5 | Low | 131 Ų | 131 | 86.9 Ų | 86.9 | 70% | 0.701 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 14.6 | 179.5 | -101.9 | -30.5 | 0 | 0 | 0 | 116.5 | E114 | E114-N116 PolarHBondContact O-N 3.22Š|
| 117 | S | 54.3 | Low | 60.3 | Low | 102 Ų | 102 | 86.2 Ų | 86.2 | 71% | 0.713 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -27.3 | -169.9 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | D115 | D115-S117 PolarHBondContact O-N 3.06Å; D115-S117 PolarHBondContact O-OG 3.36Å |
| 118 | E | 53.8 | Low | 60.1 | Low | 107 Ų | 107 | 88.4 Ų | 88.4 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | trans | -149.1 | 104.4 | 175.2 | -69.3 | -172.1 | 167.8 | 0 | 0 | 112.3 | K120 | E118-K120 PolarHBondContact O-N 2.83Å; E118-K120 WeakPolarHBondContact OE2-CE 3.44Å; E118-K120 IonicContact OE2-NZ 3.7Å; E118-K120 PolarHBondContact OE2-NZ 3.11Å | ||
| 119 | R | 56.6 | Low | 60.2 | Low | 145 Ų | 145 | 90 Ų | 90 | 55% | 0.547 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 117.3 | 165.6 | -67.1 | -178.4 | -174.6 | 177.9 | 2.2 | 108.5 | L110 | L110-R119 HydrophobicContact CD1-CB 4.26Å |
| 120 | K | 56.7 | Low | 60.2 | Low | 79 Ų | 79 | 86 Ų | 86 | 34% | 0.343 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.1 | 176.9 | -70.9 | 179.9 | 179.9 | 161.5 | 0 | 109.7 | N111 E118 Y122 | N111-K120 HydrophobicContact CB-CB 4.5Å; N111-K120 PolarHBondContact N-O 3.15Å; N111-K120 PolarHBondContact O-N 3.22Å; E118-K120 PolarHBondContact O-N 2.83Å; E118-K120 WeakPolarHBondContact OE2-CE 3.44Å; E118-K120 IonicContact OE2-NZ 3.7Å; E118-K120 PolarHBondContact OE2-NZ 3.11Å; K120-Y122 HydrophobicContact CB-CD2 4.39Å; K120-Y122 HydrophobicContact CB-CE2 3.71Å |
| 121 | L | 60.2 | Low | 60.3 | Low | 40 Ų | 40 | 88 Ų | 88 | 21% | 0.209 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.7 | 167.6 | -174 | 71 | 0 | 0 | 0 | 109 | Q74 F109 L110 T123 | Q74-L121 HydrophobicContact CB-CD2 3.23Å; Q74-L121 HydrophobicContact CG-CD2 4.34Å; F109-L121 WeakPolarHBondContact O-CA 3.36Å; L110-L121 HydrophobicContact CB-CD1 4.07Å; L110-L121 HydrophobicContact CD1-CB 4.34Å; L110-L121 HydrophobicContact CD1-CD1 4.45Å; L121-T123 HydrophobicContact CD2-CG2 4.18Å; L121-T123 HydrophobicContact CG-CG2 4.4Å |
| 122 | Y | 61.9 | Low | 60.2 | Low | 120 Ų | 120 | 86.6 Ų | 86.6 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 104.6 | 172.8 | -64.6 | -90.8 | 0 | 0 | 0 | 108.4 | G108 F109 N111 K120 | G108-Y122 CarbonylContact C-O 3.51Å; G108-Y122 WeakPolarHBondContact CA-O 3.33Å; F109-Y122 HydrophobicContact CD1-CD2 4.11Å; F109-Y122 PolarHBondContact N-O 3.17Å; F109-Y122 PolarHBondContact O-N 3.07Å; N111-Y122 HydrophobicContact CB-CD2 4.27Å; N111-Y122 HydrophobicContact CB-CE2 3.78Å; K120-Y122 HydrophobicContact CB-CD2 4.39Å; K120-Y122 HydrophobicContact CB-CE2 3.71Å |
| 123 | T | 63.9 | Low | 60.3 | Low | 52 Ų | 52 | 83.7 Ų | 83.7 | 32% | 0.319 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 143.4 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | L121 | L121-T123 HydrophobicContact CD2-CG2 4.18Å; L121-T123 HydrophobicContact CG-CG2 4.4Å |
| 124 | F | 63.2 | Low | 60.7 | Low | 33 Ų | 33 | 78.7 Ų | 78.7 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | trans | -92.8 | 106.8 | 175.3 | -58.3 | -58.3 | 0 | 0 | 0 | 109.8 | Q106 L107 F109 F126 V127 L172 | Q106-F124 PolarHBondContact NE2-O 2.74Å; Q106-F124 VanDerWaalsContact NE2-O 3.1Å; L107-F124 HydrophobicContact CB-CD2 4.28Å; L107-F124 PolarHBondContact O-N 3.28Å; F109-F124 HydrophobicContact CB-CE2 4.47Å; F109-F124 HydrophobicContact CB-CZ 3.95Å; F124-F126 HydrophobicContact CB-CD1 4.25Å; F124-F126 HydrophobicContact CB-CE1 3.8Å; F124-F126 HydrophobicContact CB-CE2 4.28Å; F124-F126 HydrophobicContact CB-CZ 3.79Å; F124-F126 AromaticContact CD1-CE1 3.61Å; F124-F126 HydrophobicContact CD1-CE1 3.61Å; F124-F126 AromaticContact CD1-CZ 3.54Å; F124-F126 HydrophobicContact CD1-CZ 3.54Å; F124-F126 HydrophobicContact CE1-CZ 4.3Å; F124-F126 HydrophobicContact CG-CE1 4.05Å; F124-F126 AromaticContact CG-CZ 3.79Å; F124-F126 HydrophobicContact CG-CZ 3.79Å; F124-F126 PolarHBondContact O-N 3.31Å; F124-V127 HydrophobicContact CB-CB 4.29Å; F124-V127 HydrophobicContact CB-CG2 3.64Å; F124-V127 HydrophobicContact CG-CG2 4.37Å; F124-L172 HydrophobicContact CE1-CD2 3.89Å; F124-L172 HydrophobicContact CZ-CD2 4.39Å | ||
| 125 | D | 66.2 | Low | 61 | Low | 141 Ų | 141 | 73.3 Ų | 73.3 | 75% | 0.754 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -8.1 | 178.5 | -69.8 | -14.8 | 0 | 0 | 0 | 113.7 | Q106 | Q106-D125 PolarHBondContact NE2-OD1 3.39Š|
| 126 | F | 61.5 | Low | 61.3 | Low | 54 Ų | 54 | 68.7 Ų | 68.7 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 2.6 | -176.4 | 59.7 | -95.8 | 0 | 0 | 0 | 114.2 | F124 L172 | F124-F126 HydrophobicContact CB-CD1 4.25Å; F124-F126 HydrophobicContact CB-CE1 3.8Å; F124-F126 HydrophobicContact CB-CE2 4.28Å; F124-F126 HydrophobicContact CB-CZ 3.79Å; F124-F126 AromaticContact CD1-CE1 3.61Å; F124-F126 HydrophobicContact CD1-CE1 3.61Å; F124-F126 AromaticContact CD1-CZ 3.54Å; F124-F126 HydrophobicContact CD1-CZ 3.54Å; F124-F126 HydrophobicContact CE1-CZ 4.3Å; F124-F126 HydrophobicContact CG-CE1 4.05Å; F124-F126 AromaticContact CG-CZ 3.79Å; F124-F126 HydrophobicContact CG-CZ 3.79Å; F124-F126 PolarHBondContact O-N 3.31Å; F126-L172 HydrophobicContact CE1-CD1 3.94Å; F126-L172 HydrophobicContact CE2-CB 4.08Å; F126-L172 HydrophobicContact CZ-CB 3.78Å; F126-L172 HydrophobicContact CZ-CD1 3.7Å; F126-L172 HydrophobicContact CZ-CD2 4.3Å; F126-L172 HydrophobicContact CZ-CG 4.11Å |
| 127 | V | 60.4 | Low | 61.5 | Low | 11 Ų | 11 | 66.4 Ų | 66.4 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -109.8 | 133.6 | -180 | -173.8 | 0 | 0 | 0 | 0 | 108 | L107 F124 A168 | L107-V127 HydrophobicContact CB-CG1 4.45Å; L107-V127 HydrophobicContact CD1-CG1 3.62Å; F124-V127 HydrophobicContact CB-CB 4.29Å; F124-V127 HydrophobicContact CB-CG2 3.64Å; F124-V127 HydrophobicContact CG-CG2 4.37Å; V127-A168 HydrophobicContact CB-CB 4.42Å; V127-A168 HydrophobicContact CG1-CB 3.99Å; V127-A168 HydrophobicContact CG2-CB 3.52Å |
| 128 | D | 59.6 | Low | 61.9 | Low | 65 Ų | 65 | 62.5 Ų | 62.5 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | trans | -58.2 | 144.2 | 176.5 | -65.6 | -25.5 | 0 | 0 | 0 | 110.4 | ||||
| 129 | S | 65.2 | Low | 61.9 | Low | 57 Ų | 57 | 62.2 Ų | 62.2 | 40% | 0.399 | 33% | 0.327 | S | S | . | . | trans | -74.5 | 141.8 | 177.2 | -59 | 0 | 0 | 0 | 0 | 110.2 | T104 Y105 E131 | T104-S129 VanDerWaalsContact CG2-CB 3.4Å; Y105-S129 CarbonylContact O-C 3.47Å; Y105-S129 VanDerWaalsContact O-CA 3.3Å; Y105-S129 WeakPolarHBondContact O-CA 3.37Å; Y105-S129 WeakPolarHBondContact O-CB 3.34Å; S129-E131 PolarHBondContact O-N 3.3Å | ||
| 130 | L | 64.4 | Low | 61.6 | Low | 28 Ų | 28 | 59.9 Ų | 59.9 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 115 | 175.2 | 177.9 | 71.4 | 0 | 0 | 0 | 109.6 | T104 Y105 V132 F152 L161 L164 | T104-L130 CarbonylContact C-O 3.6Å; T104-L130 WeakPolarHBondContact CA-O 3.5Å; Y105-L130 PolarHBondContact N-O 2.96Å; Y105-L130 PolarHBondContact O-N 3.31Å; L130-V132 HydrophobicContact CD2-CG2 4Å; L130-V132 HydrophobicContact CG-CG2 3.91Å; L130-F152 HydrophobicContact CD2-CE1 4.28Å; L130-L161 HydrophobicContact CD2-CD2 3.55Å; L130-L161 HydrophobicContact CD2-CG 4.38Å; L130-L164 HydrophobicContact CB-CD2 4.05Å |
| 131 | E | 65.5 | Low | 61.3 | Low | 94 Ų | 94 | 59.9 Ų | 59.9 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.6 | 173.1 | -63.9 | -176.4 | 170.7 | 0 | 0 | 110.6 | E103 T104 S129 | E103-E131 CarbonylContact O-C 3.55Å; E103-E131 WeakPolarHBondContact O-CA 3.42Å; T104-E131 HydrophobicContact CG2-CG 4.09Å; S129-E131 PolarHBondContact O-N 3.3Å |
| 132 | V | 61.5 | Low | 60.8 | Low | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.1 | -178.5 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | H102 E103 Y105 L130 Y134 Y157 | H102-V132 WeakPolarHBondContact CA-O 3.35Å; E103-V132 PolarHBondContact N-O 3.38Å; E103-V132 PolarHBondContact O-N 3.48Å; Y105-V132 HydrophobicContact CD2-CG2 4.04Å; Y105-V132 HydrophobicContact CE2-CB 4.35Å; Y105-V132 HydrophobicContact CE2-CG2 4.04Å; L130-V132 HydrophobicContact CD2-CG2 4Å; L130-V132 HydrophobicContact CG-CG2 3.91Å; V132-Y134 HydrophobicContact CG1-CD1 4.09Å; V132-Y157 HydrophobicContact CG1-CE1 3.86Å |
| 133 | T | 64 | Low | 60.3 | Low | 48 Ų | 48 | 64.1 Ų | 64.1 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.1 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | T100 I101 H102 | T100-T133 HydrophobicContact CG2-CG2 3.4Å; I101-T133 CarbonylContact O-C 3.55Å; I101-T133 VanDerWaalsContact O-CA 3.24Å; I101-T133 WeakPolarHBondContact O-CA 3.31Å; H102-T133 PolarHBondContact CD2-OG1 2.96Å; H102-T133 VanDerWaalsContact CE1-CG2 3.43Å; H102-T133 WeakPolarHBondContact CE1-CG2 3.45Å; H102-T133 VanDerWaalsContact NE2-CG2 3.27Å; H102-T133 WeakPolarHBondContact NE2-CG2 3.23Å; H102-T133 PolarHBondContact NE2-OG1 3.46Å |
| 134 | Y | 65 | Low | 59.8 | Low | 8 Ų | 8 | 65.5 Ų | 65.5 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 145.4 | -177.1 | 59.1 | -87.3 | 0 | 0 | 0 | 113 | I101 E103 V132 V136 L151 | I101-Y134 HydrophobicContact CB-CD1 4.3Å; I101-Y134 HydrophobicContact CB-CD2 4.05Å; I101-Y134 HydrophobicContact CB-CE1 3.98Å; I101-Y134 HydrophobicContact CB-CE2 3.7Å; I101-Y134 HydrophobicContact CB-CG 4.37Å; I101-Y134 HydrophobicContact CD1-CE2 3.71Å; I101-Y134 HydrophobicContact CG1-CD2 4.48Å; I101-Y134 HydrophobicContact CG1-CE2 4.06Å; I101-Y134 HydrophobicContact CG2-CE1 3.78Å; I101-Y134 HydrophobicContact CG2-CE2 4.05Å; I101-Y134 PolarHBondContact N-O 3.19Å; I101-Y134 PolarHBondContact O-N 3.02Å; E103-Y134 VanDerWaalsContact CD-OH 3.32Å; E103-Y134 HydrophobicContact CG-CE1 4.32Å; E103-Y134 WeakPolarHBondContact OE2-CE1 3.15Å; E103-Y134 PolarHBondContact OE2-OH 3.5Å; V132-Y134 HydrophobicContact CG1-CD1 4.09Å; Y134-V136 HydrophobicContact CD2-CG2 3.55Å; Y134-V136 HydrophobicContact CE2-CG2 3.46Å; Y134-V136 VanDerWaalsContact CE2-CG2 3.46Å; Y134-L151 HydrophobicContact CD1-CB 4.49Å; Y134-L151 HydrophobicContact CD1-CD1 3.59Å; Y134-L151 HydrophobicContact CD1-CD2 4.14Å; Y134-L151 HydrophobicContact CD1-CG 4.31Å; Y134-L151 HydrophobicContact CD2-CD1 3.07Å; Y134-L151 HydrophobicContact CD2-CG 4.39Å; Y134-L151 HydrophobicContact CE1-CB 4.23Å; Y134-L151 HydrophobicContact CE1-CD1 3.59Å; Y134-L151 HydrophobicContact CE1-CG 4.41Å; Y134-L151 HydrophobicContact CE2-CD1 3.06Å; Y134-L151 HydrophobicContact CE2-CG 4.47Å; Y134-L151 HydrophobicContact CG-CD1 3.3Å; Y134-L151 HydrophobicContact CG-CD2 4.02Å; Y134-L151 HydrophobicContact CG-CG 4.26Å |
| 135 | P | 63.5 | Low | 59.3 | Low | 89 Ų | 89 | 66.8 Ų | 66.8 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 142.6 | 174.4 | 33 | -32.8 | 0 | 0 | 0 | 111.5 | I98 I99 | I98-P135 HydrophobicContact CG2-CB 3.79Å; I99-P135 CarbonylContact O-C 3.54Å; I99-P135 WeakPolarHBondContact O-CA 3.31Å |
| 136 | V | 63 | Low | 58.6 | Low | 32 Ų | 32 | 67.8 Ų | 67.8 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.2 | 172.3 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | I99 I101 Y134 I138 L148 | I99-V136 PolarHBondContact N-O 2.95Å; I99-V136 PolarHBondContact O-N 2.79Å; I101-V136 HydrophobicContact CD1-CB 4.04Å; I101-V136 HydrophobicContact CD1-CG2 3.4Å; I101-V136 VanDerWaalsContact CD1-CG2 3.4Å; I101-V136 HydrophobicContact CG1-CB 4.42Å; I101-V136 HydrophobicContact CG1-CG2 3.9Å; Y134-V136 HydrophobicContact CD2-CG2 3.55Å; Y134-V136 HydrophobicContact CE2-CG2 3.46Å; Y134-V136 VanDerWaalsContact CE2-CG2 3.46Å; V136-I138 HydrophobicContact CG1-CG1 4.32Å; V136-L148 HydrophobicContact CB-CD2 4.36Å; V136-L148 HydrophobicContact CG1-CD2 3.79Å; V136-L148 HydrophobicContact CG2-CD2 4.07Å |
| 137 | S | 61.7 | Low | 58.2 | Low | 82 Ų | 82 | 72 Ų | 72 | 57% | 0.573 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 121.9 | 173.1 | -59.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 138 | I | 62.4 | Low | 57.9 | Low | 21 Ų | 21 | 73.2 Ų | 73.2 | 11% | 0.108 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123 | 175.7 | -52.8 | -169 | 0 | 0 | 0 | 108.6 | H97 I99 V136 L144 | H97-I138 PolarHBondContact N-O 3.22Å; H97-I138 PolarHBondContact O-N 3.48Å; I99-I138 HydrophobicContact CB-CD1 4.34Å; I99-I138 HydrophobicContact CD1-CD1 3.35Å; I99-I138 HydrophobicContact CD1-CG1 4.26Å; I99-I138 HydrophobicContact CG1-CD1 3.9Å; I99-I138 HydrophobicContact CG1-CG1 4.33Å; V136-I138 HydrophobicContact CG1-CG1 4.32Å; I138-L144 HydrophobicContact CD1-CD2 3.81Å |
| 139 | T | 53.6 | Low | 57.4 | Low | 100 Ų | 100 | 74.8 Ų | 74.8 | 61% | 0.613 | 45% | 0.448 | S | S | * | . | trans | -70.9 | 136.7 | 166.7 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | S141 | T139-S141 PolarHBondContact O-N 2.98Š| ||
| 140 | S | 49.7 | Very low | 56.9 | Low | 97 Ų | 97 | 75.7 Ų | 75.7 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -52.6 | 53.5 | -169.6 | 61.4 | 0 | 0 | 0 | 0 | 117.9 | ||
| 141 | S | 50.2 | Low | 56.3 | Low | 79 Ų | 79 | 76 Ų | 76 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | trans | -99.5 | 129 | 169.9 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | T139 A143 | T139-S141 PolarHBondContact O-N 2.98Å; S141-A143 PolarHBondContact O-N 3.45Å | ||
| 142 | D | 50.2 | Low | 55.8 | Low | 182 Ų | 182 | 73.4 Ų | 73.4 | 97% | 0.973 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -60.9 | 3.6 | -175.4 | -68.1 | -38.2 | 0 | 0 | 0 | 115.1 | ||
| 143 | A | 51 | Low | 55.2 | Low | 66 Ų | 66 | 80.7 Ų | 80.7 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -119.5 | 114 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | S141 | S141-A143 PolarHBondContact O-N 3.45Š|
| 144 | L | 55 | Low | 54.8 | Low | 82 Ų | 82 | 82.8 Ų | 82.8 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | trans | -50.5 | 131.6 | 160.5 | -85.6 | 145 | 0 | 0 | 0 | 108.9 | Y87 I99 I138 I146 | Y87-L144 HydrophobicContact CE1-CD1 4.26Å; Y87-L144 HydrophobicContact CE1-CD2 3.95Å; I99-L144 HydrophobicContact CD1-CD2 3.68Å; I138-L144 HydrophobicContact CD1-CD2 3.81Å; L144-I146 PolarHBondContact O-N 3.46Å; L144-I146 VanDerWaalsContact O-N 3.08Å | ||
| 145 | P | 52.5 | Low | 54.6 | Low | 60 Ų | 60 | 87.4 Ų | 87.4 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | trans | -57.2 | 120.5 | 173.7 | -18 | 28.2 | 0 | 0 | 0 | 109 | D147 L148 | P145-D147 PolarHBondContact O-N 3.45Å; P145-L148 HydrophobicContact CB-CG 4.43Å | ||
| 146 | I | 51.3 | Low | 54.6 | Low | 161 Ų | 161 | 89.3 Ų | 89.3 | 83% | 0.826 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -62.4 | -31.3 | 178.4 | -66.8 | 171.2 | 0 | 0 | 0 | 109.9 | L144 | L144-I146 PolarHBondContact O-N 3.46Å; L144-I146 VanDerWaalsContact O-N 3.08Å |
| 147 | D | 53.3 | Low | 54.6 | Low | 143 Ų | 143 | 88.6 Ų | 88.6 | 77% | 0.765 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -119.2 | 86.8 | 179.4 | -64.4 | -38 | 0 | 0 | 0 | 110.5 | P145 | P145-D147 PolarHBondContact O-N 3.45Š|
| 148 | L | 52.9 | Low | 54.7 | Low | 36 Ų | 36 | 87.7 Ų | 87.7 | 19% | 0.188 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -72 | 133.9 | 163.9 | -76.6 | 138.7 | 0 | 0 | 0 | 108.8 | I101 V136 P145 | I101-L148 HydrophobicContact CD1-CD1 3.39Å; I101-L148 HydrophobicContact CD1-CD2 3.59Å; I101-L148 HydrophobicContact CD1-CG 3.99Å; V136-L148 HydrophobicContact CB-CD2 4.36Å; V136-L148 HydrophobicContact CG1-CD2 3.79Å; V136-L148 HydrophobicContact CG2-CD2 4.07Å; P145-L148 HydrophobicContact CB-CG 4.43Å |
| 149 | P | 50.1 | Low | 55 | Low | 98 Ų | 98 | 92.3 Ų | 92.3 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 133.5 | 177.5 | -17 | 28 | 0 | 0 | 0 | 109.7 | L151 | P149-L151 PolarHBondContact O-N 2.9Š|
| 150 | P | 53.9 | Low | 55.6 | Low | 77 Ų | 77 | 92 Ų | 92 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 129.8 | 173 | 23.6 | -30.6 | 0 | 0 | 0 | 108.5 | F152 | P150-F152 HydrophobicContact CB-CD2 4.15Å; P150-F152 PolarHBondContact O-N 2.98Å |
| 151 | L | 52.7 | Low | 56.4 | Low | 34 Ų | 34 | 87.9 Ų | 87.9 | 18% | 0.178 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -64.9 | -5.4 | -169.2 | -137.7 | 98.7 | 0 | 0 | 0 | 115.3 | Y134 P149 M153 Y157 | Y134-L151 HydrophobicContact CD1-CB 4.49Å; Y134-L151 HydrophobicContact CD1-CD1 3.59Å; Y134-L151 HydrophobicContact CD1-CD2 4.14Å; Y134-L151 HydrophobicContact CD1-CG 4.31Å; Y134-L151 HydrophobicContact CD2-CD1 3.07Å; Y134-L151 HydrophobicContact CD2-CG 4.39Å; Y134-L151 HydrophobicContact CE1-CB 4.23Å; Y134-L151 HydrophobicContact CE1-CD1 3.59Å; Y134-L151 HydrophobicContact CE1-CG 4.41Å; Y134-L151 HydrophobicContact CE2-CD1 3.06Å; Y134-L151 HydrophobicContact CE2-CG 4.47Å; Y134-L151 HydrophobicContact CG-CD1 3.3Å; Y134-L151 HydrophobicContact CG-CD2 4.02Å; Y134-L151 HydrophobicContact CG-CG 4.26Å; P149-L151 PolarHBondContact O-N 2.9Å; L151-M153 PolarHBondContact O-N 3.31Å; L151-Y157 HydrophobicContact CD2-CD2 4.42Å; L151-Y157 HydrophobicContact CD2-CE2 3.63Å |
| 152 | F | 53.7 | Low | 57.3 | Low | 39 Ų | 39 | 87.5 Ų | 87.5 | 17% | 0.171 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 21.2 | -175.8 | -56 | -58.8 | 0 | 0 | 0 | 115.3 | Y73 Y105 L130 P150 L161 | Y73-F152 HydrophobicContact CD2-CD2 4.25Å; Y73-F152 HydrophobicContact CD2-CE2 4.34Å; Y73-F152 HydrophobicContact CE2-CD2 4.47Å; Y73-F152 HydrophobicContact CG-CE2 4.24Å; Y105-F152 AromaticContact CD1-CE2 3.58Å; Y105-F152 HydrophobicContact CD1-CE2 3.58Å; Y105-F152 AromaticContact CD1-CZ 3.51Å; Y105-F152 HydrophobicContact CD1-CZ 3.51Å; Y105-F152 HydrophobicContact CD2-CE1 4.32Å; Y105-F152 HydrophobicContact CD2-CE2 4.28Å; Y105-F152 AromaticContact CD2-CZ 3.5Å; Y105-F152 HydrophobicContact CD2-CZ 3.5Å; Y105-F152 VanDerWaalsContact CD2-CZ 3.5Å; Y105-F152 HydrophobicContact CE1-CD2 4.36Å; Y105-F152 AromaticContact CE1-CE2 3.17Å; Y105-F152 HydrophobicContact CE1-CE2 3.17Å; Y105-F152 AromaticContact CE1-CZ 3.44Å; Y105-F152 HydrophobicContact CE1-CZ 3.44Å; Y105-F152 VanDerWaalsContact CE1-CZ 3.44Å; Y105-F152 HydrophobicContact CE2-CE1 4.21Å; Y105-F152 AromaticContact CE2-CE2 3.93Å; Y105-F152 HydrophobicContact CE2-CE2 3.93Å; Y105-F152 AromaticContact CE2-CZ 3.42Å; Y105-F152 HydrophobicContact CE2-CZ 3.42Å; Y105-F152 VanDerWaalsContact CE2-CZ 3.42Å; Y105-F152 HydrophobicContact CG-CE2 4.1Å; Y105-F152 AromaticContact CG-CZ 3.53Å; Y105-F152 HydrophobicContact CG-CZ 3.53Å; Y105-F152 AromaticContact CZ-CE2 3.34Å; Y105-F152 AromaticContact CZ-CZ 3.37Å; L130-F152 HydrophobicContact CD2-CE1 4.28Å; P150-F152 HydrophobicContact CB-CD2 4.15Å; P150-F152 PolarHBondContact O-N 2.98Å; F152-L161 HydrophobicContact CB-CD1 4.44Å; F152-L161 HydrophobicContact CD1-CD1 3.29Å; F152-L161 HydrophobicContact CD1-CG 4.28Å; F152-L161 HydrophobicContact CE1-CD1 3.57Å; F152-L161 HydrophobicContact CE1-CD2 3.98Å; F152-L161 HydrophobicContact CE1-CG 4.15Å; F152-L161 HydrophobicContact CG-CD1 4.01Å; F152-L161 HydrophobicContact CZ-CD1 4.44Å |
| 153 | M | 48.7 | Very low | 58.4 | Low | 161 Ų | 161 | 81.7 Ų | 81.7 | 79% | 0.793 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -13.3 | 175.8 | -64.8 | -68.9 | -74.6 | 0 | 0 | 112.6 | L151 | L151-M153 PolarHBondContact O-N 3.31Š|
| 154 | E | 56.4 | Low | 59.3 | Low | 92 Ų | 92 | 80.1 Ų | 80.1 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -86.1 | 133.2 | 176.4 | -65.2 | -176.8 | 166.5 | 0 | 0 | 111.4 | E156 Y157 | E154-E156 PolarHBondContact O-N 3.46Å; E154-E156 VanDerWaalsContact O-N 3.1Å; E154-Y157 HydrophobicContact CB-CD2 3.97Å; E154-Y157 HydrophobicContact CB-CE2 4.43Å; E154-Y157 PolarHBondContact O-N 2.86Å; E154-Y157 VanDerWaalsContact O-N 3.11Å |
| 155 | P | 60.5 | Low | 59.9 | Low | 104 Ų | 104 | 77.8 Ų | 77.8 | 68% | 0.675 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -54.3 | -33.5 | -175.8 | -25 | 31.9 | 0 | 0 | 0 | 114.2 | Y157 S158 D159 | P155-Y157 VanDerWaalsContact C-N 3.27Å; P155-Y157 PolarHBondContact O-N 3.42Å; P155-S158 WeakPolarHBondContact O-CB 3.28Å; P155-S158 PolarHBondContact O-N 3.24Å; P155-S158 VanDerWaalsContact O-N 3.1Å; P155-D159 PolarHBondContact O-N 3.15Å |
| 156 | E | 64.2 | Low | 61 | Low | 130 Ų | 130 | 79 Ų | 79 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.5 | -31.7 | -177.4 | -62.4 | 173.6 | -172.4 | 0 | 0 | 112.5 | E154 Q160 | E154-E156 PolarHBondContact O-N 3.46Å; E154-E156 VanDerWaalsContact O-N 3.1Å; E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-N 3.21Å |
| 157 | Y | 62.6 | Low | 62.2 | Low | 17 Ų | 17 | 75.1 Ų | 75.1 | 7% | 0.067 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -79.4 | -27.9 | 175.5 | -69.8 | -80.5 | 0 | 0 | 0 | 112.5 | M1 V132 L151 E154 P155 D159 Q160 L161 | M1-Y157 WeakPolarHBondContact CE-OH 3.32Å; V132-Y157 HydrophobicContact CG1-CE1 3.86Å; L151-Y157 HydrophobicContact CD2-CD2 4.42Å; L151-Y157 HydrophobicContact CD2-CE2 3.63Å; E154-Y157 HydrophobicContact CB-CD2 3.97Å; E154-Y157 HydrophobicContact CB-CE2 4.43Å; E154-Y157 PolarHBondContact O-N 2.86Å; E154-Y157 VanDerWaalsContact O-N 3.11Å; P155-Y157 VanDerWaalsContact C-N 3.27Å; P155-Y157 PolarHBondContact O-N 3.42Å; Y157-D159 VanDerWaalsContact C-N 3.34Å; Y157-Q160 PolarHBondContact O-N 2.91Å; Y157-L161 VanDerWaalsContact O-CB 3.31Å; Y157-L161 WeakPolarHBondContact O-CB 3.38Å; Y157-L161 WeakPolarHBondContact O-CD1 3.42Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 2.92Å |
| 158 | S | 63.8 | Low | 62.9 | Low | 62 Ų | 62 | 68.4 Ų | 68.4 | 43% | 0.434 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 175.8 | -179 | 0 | 0 | 0 | 0 | 111.2 | P155 L161 T162 | P155-S158 WeakPolarHBondContact O-CB 3.28Å; P155-S158 PolarHBondContact O-N 3.24Å; P155-S158 VanDerWaalsContact O-N 3.1Å; S158-L161 PolarHBondContact O-N 2.82Å; S158-T162 VanDerWaalsContact O-CB 3.32Å; S158-T162 WeakPolarHBondContact O-CB 3.43Å; S158-T162 PolarHBondContact O-N 3.25Å; S158-T162 PolarHBondContact O-OG1 3.13Å |
| 159 | D | 67.9 | Low | 64 | Low | 119 Ų | 119 | 70.6 Ų | 70.6 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 178 | -73 | -16.7 | 0 | 0 | 0 | 111.5 | P155 Y157 T162 A163 | P155-D159 PolarHBondContact O-N 3.15Å; Y157-D159 VanDerWaalsContact C-N 3.34Å; D159-T162 PolarHBondContact O-N 2.9Å; D159-A163 WeakPolarHBondContact O-CB 3.39Å; D159-A163 PolarHBondContact O-N 3.04Å |
| 160 | Q | 67.7 | Low | 65.5 | Low | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 175.8 | -70.1 | 176.7 | 20.7 | 0 | 0 | 112.3 | E156 Y157 T162 A163 L164 | E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-N 3.21Å; Y157-Q160 PolarHBondContact O-N 2.91Å; Q160-T162 VanDerWaalsContact C-N 3.34Å; Q160-A163 PolarHBondContact O-N 3.36Å; Q160-L164 WeakPolarHBondContact O-CB 3.39Å; Q160-L164 PolarHBondContact O-N 3.01Å |
| 161 | L | 66 | Low | 66.6 | Low | 10 Ų | 10 | 70.2 Ų | 70.2 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.6 | -76.1 | 167.8 | 0 | 0 | 0 | 111.8 | Y73 L130 F152 Y157 S158 L164 A165 | Y73-L161 HydrophobicContact CE1-CD1 4.31Å; Y73-L161 HydrophobicContact CE1-CD2 4Å; Y73-L161 VanDerWaalsContact OH-CD1 3.29Å; Y73-L161 WeakPolarHBondContact OH-CD1 3.46Å; L130-L161 HydrophobicContact CD2-CD2 3.55Å; L130-L161 HydrophobicContact CD2-CG 4.38Å; F152-L161 HydrophobicContact CB-CD1 4.44Å; F152-L161 HydrophobicContact CD1-CD1 3.29Å; F152-L161 HydrophobicContact CD1-CG 4.28Å; F152-L161 HydrophobicContact CE1-CD1 3.57Å; F152-L161 HydrophobicContact CE1-CD2 3.98Å; F152-L161 HydrophobicContact CE1-CG 4.15Å; F152-L161 HydrophobicContact CG-CD1 4.01Å; F152-L161 HydrophobicContact CZ-CD1 4.44Å; Y157-L161 VanDerWaalsContact O-CB 3.31Å; Y157-L161 WeakPolarHBondContact O-CB 3.38Å; Y157-L161 WeakPolarHBondContact O-CD1 3.42Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 2.92Å; S158-L161 PolarHBondContact O-N 2.82Å; L161-L164 PolarHBondContact O-N 2.83Å; L161-A165 VanDerWaalsContact O-CB 3.28Å; L161-A165 WeakPolarHBondContact O-CB 3.46Å; L161-A165 PolarHBondContact O-N 3.16Å |
| 162 | T | 69.3 | Low | 67.7 | Low | 71 Ų | 71 | 70.8 Ų | 70.8 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 177 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | S158 D159 Q160 A165 N166 | S158-T162 VanDerWaalsContact O-CB 3.32Å; S158-T162 WeakPolarHBondContact O-CB 3.43Å; S158-T162 PolarHBondContact O-N 3.25Å; S158-T162 PolarHBondContact O-OG1 3.13Å; D159-T162 PolarHBondContact O-N 2.9Å; Q160-T162 VanDerWaalsContact C-N 3.34Å; T162-A165 PolarHBondContact O-N 3.21Å; T162-N166 WeakPolarHBondContact O-CB 3.47Å; T162-N166 VanDerWaalsContact O-CG 3.29Å; T162-N166 PolarHBondContact O-N 3.32Å; T162-N166 PolarHBondContact O-ND2 2.96Å |
| 163 | A | 72.2 | Confident | 68.9 | Low | 60 Ų | 60 | 72.4 Ų | 72.4 | 50% | 0.496 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D159 Q160 N166 D167 | D159-A163 WeakPolarHBondContact O-CB 3.39Å; D159-A163 PolarHBondContact O-N 3.04Å; Q160-A163 PolarHBondContact O-N 3.36Å; A163-N166 PolarHBondContact O-N 3.31Å; A163-D167 WeakPolarHBondContact O-CB 3.31Å; A163-D167 PolarHBondContact O-N 3.19Å |
| 164 | L | 70.4 | Confident | 70.5 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 17% | 0.173 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.9 | -164 | 75.1 | 0 | 0 | 0 | 111.9 | L107 L130 Q160 L161 D167 A168 | L107-L164 HydrophobicContact CD1-CB 4.06Å; L107-L164 HydrophobicContact CD1-CD2 3.36Å; L107-L164 HydrophobicContact CD1-CG 3.39Å; L107-L164 HydrophobicContact CG-CD2 4.07Å; L130-L164 HydrophobicContact CB-CD2 4.05Å; Q160-L164 WeakPolarHBondContact O-CB 3.39Å; Q160-L164 PolarHBondContact O-N 3.01Å; L161-L164 PolarHBondContact O-N 2.83Å; L164-D167 PolarHBondContact O-N 2.93Å; L164-A168 VanDerWaalsContact O-CB 3.3Å; L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.43Å |
| 165 | A | 67.9 | Low | 71.6 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L107 L161 T162 A168 L169 | L107-A165 HydrophobicContact CD2-CB 4.24Å; L161-A165 VanDerWaalsContact O-CB 3.28Å; L161-A165 WeakPolarHBondContact O-CB 3.46Å; L161-A165 PolarHBondContact O-N 3.16Å; T162-A165 PolarHBondContact O-N 3.21Å; A165-A168 PolarHBondContact O-N 2.99Å; A165-L169 WeakPolarHBondContact O-CB 3.39Å; A165-L169 VanDerWaalsContact O-CG 3.26Å; A165-L169 WeakPolarHBondContact O-CG 3.39Å; A165-L169 PolarHBondContact O-N 2.7Å |
| 166 | N | 75.3 | Confident | 72.5 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 46% | 0.46 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.1 | -77.3 | -30.6 | 0 | 0 | 0 | 111.9 | T162 A163 L169 N170 | T162-N166 WeakPolarHBondContact O-CB 3.47Å; T162-N166 VanDerWaalsContact O-CG 3.29Å; T162-N166 PolarHBondContact O-N 3.32Å; T162-N166 PolarHBondContact O-ND2 2.96Å; A163-N166 PolarHBondContact O-N 3.31Å; N166-L169 PolarHBondContact O-N 3.41Å; N166-N170 WeakPolarHBondContact O-CB 3.08Å; N166-N170 PolarHBondContact O-N 3.34Å; N166-N170 PolarHBondContact O-ND2 3.43Å |
| 167 | D | 77.5 | Confident | 73.6 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 175.1 | -172.4 | 64.5 | 0 | 0 | 0 | 111.2 | A163 L164 L169 N170 Q171 | A163-D167 WeakPolarHBondContact O-CB 3.31Å; A163-D167 PolarHBondContact O-N 3.19Å; L164-D167 PolarHBondContact O-N 2.93Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 2.89Å; D167-N170 PolarHBondContact O-N 2.92Å; D167-Q171 WeakPolarHBondContact O-CG 3.42Å; D167-Q171 PolarHBondContact O-N 3.34Å; D167-Q171 PolarHBondContact OD2-NE2 3.36Å |
| 168 | A | 68 | Low | 74.6 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.2 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L107 V127 L164 A165 Q171 L172 | L107-A168 HydrophobicContact CD1-CB 4.21Å; V127-A168 HydrophobicContact CB-CB 4.42Å; V127-A168 HydrophobicContact CG1-CB 3.99Å; V127-A168 HydrophobicContact CG2-CB 3.52Å; L164-A168 VanDerWaalsContact O-CB 3.3Å; L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.43Å; A165-A168 PolarHBondContact O-N 2.99Å; A168-Q171 PolarHBondContact O-N 3.19Å; A168-L172 WeakPolarHBondContact O-CB 3.16Å; A168-L172 PolarHBondContact O-N 3.3Å |
| 169 | L | 75.5 | Confident | 75.5 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 43% | 0.429 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 177 | -73.6 | 172.7 | 0 | 0 | 0 | 111.9 | A165 N166 D167 L172 T173 | A165-L169 WeakPolarHBondContact O-CB 3.39Å; A165-L169 VanDerWaalsContact O-CG 3.26Å; A165-L169 WeakPolarHBondContact O-CG 3.39Å; A165-L169 PolarHBondContact O-N 2.7Å; N166-L169 PolarHBondContact O-N 3.41Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 2.89Å; L169-L172 PolarHBondContact O-N 3.04Å; L169-T173 VanDerWaalsContact O-CB 3.3Å; L169-T173 WeakPolarHBondContact O-CB 3.3Å; L169-T173 PolarHBondContact O-N 2.96Å; L169-T173 PolarHBondContact O-OG1 2.05Å |
| 170 | N | 80.8 | Confident | 76.4 | Confident | 106 Ų | 106 | 75.2 Ų | 75.2 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 174.9 | -74.4 | -29.1 | 0 | 0 | 0 | 111.3 | N166 D167 L172 T173 Q174 | N166-N170 WeakPolarHBondContact O-CB 3.08Å; N166-N170 PolarHBondContact O-N 3.34Å; N166-N170 PolarHBondContact O-ND2 3.43Å; D167-N170 PolarHBondContact O-N 2.92Å; N170-L172 PolarHBondContact O-N 3.3Å; N170-T173 PolarHBondContact O-N 3.47Å; N170-Q174 WeakPolarHBondContact O-CB 3.49Å; N170-Q174 PolarHBondContact O-N 3.09Å |
| 171 | Q | 77.9 | Confident | 77.4 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 29% | 0.29 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.2 | -71.2 | -171.2 | 45.5 | 0 | 0 | 111.8 | D167 A168 Q174 R175 | D167-Q171 WeakPolarHBondContact O-CG 3.42Å; D167-Q171 PolarHBondContact O-N 3.34Å; D167-Q171 PolarHBondContact OD2-NE2 3.36Å; A168-Q171 PolarHBondContact O-N 3.19Å; Q171-Q174 PolarHBondContact O-N 3.39Å; Q171-R175 WeakPolarHBondContact O-CG 3.36Å; Q171-R175 PolarHBondContact O-N 3.41Å |
| 172 | L | 75.7 | Confident | 78.3 | Confident | 46 Ų | 46 | 75.4 Ų | 75.4 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 175.9 | -179.6 | 59 | 0 | 0 | 0 | 111.1 | F124 F126 A168 L169 N170 Q174 R175 I176 | F124-L172 HydrophobicContact CE1-CD2 3.89Å; F124-L172 HydrophobicContact CZ-CD2 4.39Å; F126-L172 HydrophobicContact CE1-CD1 3.94Å; F126-L172 HydrophobicContact CE2-CB 4.08Å; F126-L172 HydrophobicContact CZ-CB 3.78Å; F126-L172 HydrophobicContact CZ-CD1 3.7Å; F126-L172 HydrophobicContact CZ-CD2 4.3Å; F126-L172 HydrophobicContact CZ-CG 4.11Å; A168-L172 WeakPolarHBondContact O-CB 3.16Å; A168-L172 PolarHBondContact O-N 3.3Å; L169-L172 PolarHBondContact O-N 3.04Å; N170-L172 PolarHBondContact O-N 3.3Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.21Å; L172-R175 PolarHBondContact O-N 3.09Å; L172-I176 HydrophobicContact CD1-CD1 4.03Å; L172-I176 HydrophobicContact CD1-CG1 4.27Å; L172-I176 HydrophobicContact CG-CD1 3.9Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 2.93Å; L172-I176 PolarHBondContact O-N 3.48Å |
| 173 | T | 77.8 | Confident | 78.9 | Confident | 72 Ų | 72 | 74 Ų | 74 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.9 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | L169 N170 R175 I176 N177 | L169-T173 VanDerWaalsContact O-CB 3.3Å; L169-T173 WeakPolarHBondContact O-CB 3.3Å; L169-T173 PolarHBondContact O-N 2.96Å; L169-T173 PolarHBondContact O-OG1 2.05Å; N170-T173 PolarHBondContact O-N 3.47Å; T173-R175 PolarHBondContact O-N 3.42Å; T173-I176 PolarHBondContact O-N 3.48Å; T173-N177 WeakPolarHBondContact O-CB 3.32Å; T173-N177 VanDerWaalsContact O-CG 3.29Å; T173-N177 PolarHBondContact O-N 2.88Å; T173-N177 PolarHBondContact O-ND2 3.47Å |
| 174 | Q | 83.9 | Confident | 79.5 | Confident | 121 Ų | 121 | 76.9 Ų | 76.9 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 176.4 | -172.1 | 179.6 | 4 | 0 | 0 | 111.8 | N170 Q171 L172 N177 N178 | N170-Q174 WeakPolarHBondContact O-CB 3.49Å; N170-Q174 PolarHBondContact O-N 3.09Å; Q171-Q174 PolarHBondContact O-N 3.39Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.21Å; Q174-N177 PolarHBondContact O-N 3.19Å; Q174-N178 WeakPolarHBondContact O-CB 3.5Å; Q174-N178 PolarHBondContact O-N 3.1Å; Q174-N178 PolarHBondContact O-OD1 3.17Å |
| 175 | R | 78.3 | Confident | 80.3 | Confident | 131 Ų | 131 | 80 Ų | 80 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.1 | -73.7 | 179.5 | -175.6 | -155.3 | 5.9 | 112.4 | Q171 L172 T173 N178 W179 | Q171-R175 WeakPolarHBondContact O-CG 3.36Å; Q171-R175 PolarHBondContact O-N 3.41Å; L172-R175 PolarHBondContact O-N 3.09Å; T173-R175 PolarHBondContact O-N 3.42Å; R175-N178 PolarHBondContact O-N 2.97Å; R175-W179 WeakPolarHBondContact O-CB 3.43Å; R175-W179 PolarHBondContact O-N 3.05Å |
| 176 | I | 79.4 | Confident | 81.2 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 40% | 0.4 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 176 | -69.1 | 169.5 | 0 | 0 | 0 | 110 | L172 T173 W179 L180 | L172-I176 HydrophobicContact CD1-CD1 4.03Å; L172-I176 HydrophobicContact CD1-CG1 4.27Å; L172-I176 HydrophobicContact CG-CD1 3.9Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 2.93Å; L172-I176 PolarHBondContact O-N 3.48Å; T173-I176 PolarHBondContact O-N 3.48Å; I176-W179 WeakPolarHBondContact O-CB 3.19Å; I176-W179 PolarHBondContact O-N 3.26Å; I176-L180 HydrophobicContact CG2-CD1 4.03Å; I176-L180 HydrophobicContact CG2-CG 4.4Å; I176-L180 WeakPolarHBondContact O-CG 3.37Å; I176-L180 PolarHBondContact O-N 2.91Å |
| 177 | N | 87.9 | Confident | 81.5 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.8 | -74.3 | -23.5 | 0 | 0 | 0 | 111.9 | T173 Q174 W179 L180 V181 | T173-N177 WeakPolarHBondContact O-CB 3.32Å; T173-N177 VanDerWaalsContact O-CG 3.29Å; T173-N177 PolarHBondContact O-N 2.88Å; T173-N177 PolarHBondContact O-ND2 3.47Å; Q174-N177 PolarHBondContact O-N 3.19Å; N177-W179 VanDerWaalsContact C-N 3.28Å; N177-W179 PolarHBondContact O-N 3.25Å; N177-L180 PolarHBondContact O-N 3.45Å; N177-V181 WeakPolarHBondContact O-CG2 3.45Å; N177-V181 PolarHBondContact O-N 2.94Å |
| 178 | N | 84.5 | Confident | 81.9 | Confident | 96 Ų | 96 | 83.5 Ų | 83.5 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 176.3 | -69.4 | -9 | 0 | 0 | 0 | 111.6 | Q174 R175 A182 | Q174-N178 WeakPolarHBondContact O-CB 3.5Å; Q174-N178 PolarHBondContact O-N 3.1Å; Q174-N178 PolarHBondContact O-OD1 3.17Å; R175-N178 PolarHBondContact O-N 2.97Å; N178-A182 WeakPolarHBondContact O-CB 3.45Å; N178-A182 PolarHBondContact O-N 2.98Å |
| 179 | W | 81.8 | Confident | 82.8 | Confident | 156 Ų | 156 | 89.6 Ų | 89.6 | 59% | 0.591 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 175.9 | 175.8 | 67.6 | 0 | 0 | 0 | 112 | R175 I176 N177 V181 A182 C183 | R175-W179 WeakPolarHBondContact O-CB 3.43Å; R175-W179 PolarHBondContact O-N 3.05Å; I176-W179 WeakPolarHBondContact O-CB 3.19Å; I176-W179 PolarHBondContact O-N 3.26Å; N177-W179 VanDerWaalsContact C-N 3.28Å; N177-W179 PolarHBondContact O-N 3.25Å; W179-V181 PolarHBondContact O-N 3.18Å; W179-A182 PolarHBondContact O-N 3.37Å; W179-C183 PolarHBondContact O-N 3.32Å; W179-C183 PolarHBondContact O-SG 3.47Å; W179-C183 VanDerWaalsContact O-SG 3.4Å |
| 180 | L | 85.7 | Confident | 83.3 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 41% | 0.414 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.5 | -73 | 171.6 | 0 | 0 | 0 | 112.1 | I176 N177 C183 Q184 | I176-L180 HydrophobicContact CG2-CD1 4.03Å; I176-L180 HydrophobicContact CG2-CG 4.4Å; I176-L180 WeakPolarHBondContact O-CG 3.37Å; I176-L180 PolarHBondContact O-N 2.91Å; N177-L180 PolarHBondContact O-N 3.45Å; L180-C183 WeakPolarHBondContact O-CB 3.22Å; L180-C183 PolarHBondContact O-N 2.98Å; L180-Q184 WeakPolarHBondContact O-CG 3.43Å; L180-Q184 PolarHBondContact O-N 2.74Å |
| 181 | V | 88.8 | Confident | 83.5 | Confident | 70 Ų | 70 | 88.4 Ų | 88.4 | 42% | 0.424 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | N177 W179 C183 Q184 E185 | N177-V181 WeakPolarHBondContact O-CG2 3.45Å; N177-V181 PolarHBondContact O-N 2.94Å; W179-V181 PolarHBondContact O-N 3.18Å; V181-C183 VanDerWaalsContact C-N 3.3Å; V181-C183 PolarHBondContact O-N 3.34Å; V181-Q184 WeakPolarHBondContact O-CB 3.38Å; V181-Q184 PolarHBondContact O-N 2.98Å; V181-Q184 VanDerWaalsContact O-N 3.17Å; V181-E185 WeakPolarHBondContact O-CG 3.38Å; V181-E185 PolarHBondContact O-N 3.12Å |
| 182 | A | 85.4 | Confident | 83.9 | Confident | 37 Ų | 37 | 90.9 Ų | 90.9 | 31% | 0.306 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | N178 W179 S186 | N178-A182 WeakPolarHBondContact O-CB 3.45Å; N178-A182 PolarHBondContact O-N 2.98Å; W179-A182 PolarHBondContact O-N 3.37Å; A182-S186 WeakPolarHBondContact O-CB 3.37Å; A182-S186 PolarHBondContact O-N 2.92Å |
| 183 | C | 82.9 | Confident | 84.5 | Confident | 43 Ų | 43 | 96.7 Ų | 96.7 | 29% | 0.291 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 172.5 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | W179 L180 V181 S186 D187 | W179-C183 PolarHBondContact O-N 3.32Å; W179-C183 PolarHBondContact O-SG 3.47Å; W179-C183 VanDerWaalsContact O-SG 3.4Å; L180-C183 WeakPolarHBondContact O-CB 3.22Å; L180-C183 PolarHBondContact O-N 2.98Å; V181-C183 VanDerWaalsContact C-N 3.3Å; V181-C183 PolarHBondContact O-N 3.34Å; C183-S186 WeakPolarHBondContact O-CB 3.32Å; C183-S186 PolarHBondContact O-N 3.36Å; C183-D187 PolarHBondContact O-N 2.99Å |
| 184 | Q | 85.1 | Confident | 85.1 | Confident | 120 Ų | 120 | 97.8 Ų | 97.8 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.6 | -48.7 | 176.9 | -72.8 | 173.7 | -19.9 | 0 | 0 | 111.8 | L180 V181 S186 D187 E188 | L180-Q184 WeakPolarHBondContact O-CG 3.43Å; L180-Q184 PolarHBondContact O-N 2.74Å; V181-Q184 WeakPolarHBondContact O-CB 3.38Å; V181-Q184 PolarHBondContact O-N 2.98Å; V181-Q184 VanDerWaalsContact O-N 3.17Å; Q184-S186 VanDerWaalsContact C-N 3.27Å; Q184-S186 PolarHBondContact O-N 3.42Å; Q184-D187 PolarHBondContact O-N 3.4Å; Q184-E188 WeakPolarHBondContact O-CG 3.28Å; Q184-E188 PolarHBondContact O-N 3.48Å |
| 185 | E | 86.4 | Confident | 85.3 | Confident | 97 Ų | 97 | 94 Ų | 94 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 177 | -71.5 | -177.4 | -173 | 0 | 0 | 112.5 | V181 K189 | V181-E185 WeakPolarHBondContact O-CG 3.38Å; V181-E185 PolarHBondContact O-N 3.12Å; E185-K189 WeakPolarHBondContact O-CB 3.01Å; E185-K189 VanDerWaalsContact O-CG 3.27Å; E185-K189 WeakPolarHBondContact O-CG 3.23Å; E185-K189 PolarHBondContact O-N 3.48Å |
| 186 | S | 85.9 | Confident | 85.9 | Confident | 36 Ų | 36 | 92.8 Ų | 92.8 | 25% | 0.252 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | A182 C183 Q184 K189 L190 | A182-S186 WeakPolarHBondContact O-CB 3.37Å; A182-S186 PolarHBondContact O-N 2.92Å; C183-S186 WeakPolarHBondContact O-CB 3.32Å; C183-S186 PolarHBondContact O-N 3.36Å; Q184-S186 VanDerWaalsContact C-N 3.27Å; Q184-S186 PolarHBondContact O-N 3.42Å; S186-K189 PolarHBondContact O-N 2.89Å; S186-L190 WeakPolarHBondContact O-CB 3.47Å; S186-L190 PolarHBondContact O-N 2.87Å |
| 187 | D | 83.2 | Confident | 86.5 | Confident | 97 Ų | 97 | 91.2 Ų | 91.2 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | -180 | -74.9 | -16.5 | 0 | 0 | 0 | 111.6 | C183 Q184 L190 T191 | C183-D187 PolarHBondContact O-N 2.99Å; Q184-D187 PolarHBondContact O-N 3.4Å; D187-L190 PolarHBondContact O-N 3.03Å; D187-T191 VanDerWaalsContact O-CB 3.29Å; D187-T191 WeakPolarHBondContact O-CB 3.38Å; D187-T191 PolarHBondContact O-N 3.38Å; D187-T191 PolarHBondContact O-OG1 2.76Å |
| 188 | E | 84.2 | Confident | 86.6 | Confident | 139 Ų | 139 | 87.2 Ų | 87.2 | 65% | 0.65 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.7 | -47.7 | 173.4 | -72.8 | -179.9 | 180 | 0 | 0 | 111.8 | Q184 L190 T191 L192 | Q184-E188 WeakPolarHBondContact O-CG 3.28Å; Q184-E188 PolarHBondContact O-N 3.48Å; E188-L190 VanDerWaalsContact C-N 3.35Å; E188-L190 PolarHBondContact O-N 2.91Å; E188-T191 PolarHBondContact O-N 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.42Å; E188-L192 PolarHBondContact O-N 3.22Å |
| 189 | K | 86.9 | Confident | 86.9 | Confident | 129 Ų | 129 | 85.1 Ų | 85.1 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.1 | -43.9 | 176.4 | -76 | 170.3 | -176.6 | 164.1 | 0 | 111.7 | E185 S186 L192 W193 | E185-K189 WeakPolarHBondContact O-CB 3.01Å; E185-K189 VanDerWaalsContact O-CG 3.27Å; E185-K189 WeakPolarHBondContact O-CG 3.23Å; E185-K189 PolarHBondContact O-N 3.48Å; S186-K189 PolarHBondContact O-N 2.89Å; K189-L192 PolarHBondContact O-N 2.94Å; K189-W193 WeakPolarHBondContact O-CB 3.5Å; K189-W193 PolarHBondContact O-N 3.4Å |
| 190 | L | 87.1 | Confident | 87.3 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 177.2 | 179.7 | 61.5 | 0 | 0 | 0 | 111.3 | S186 D187 E188 W193 R194 | S186-L190 WeakPolarHBondContact O-CB 3.47Å; S186-L190 PolarHBondContact O-N 2.87Å; D187-L190 PolarHBondContact O-N 3.03Å; E188-L190 VanDerWaalsContact C-N 3.35Å; E188-L190 PolarHBondContact O-N 2.91Å; L190-W193 HydrophobicContact CD1-CE3 4.39Å; L190-W193 PolarHBondContact O-N 2.97Å; L190-R194 VanDerWaalsContact O-CG 3.31Å; L190-R194 WeakPolarHBondContact O-CG 3.38Å; L190-R194 PolarHBondContact O-N 3.08Å |
| 191 | T | 83.7 | Confident | 87.7 | Confident | 70 Ų | 70 | 84 Ų | 84 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.5 | -50.6 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | D187 E188 W193 R194 H195 | D187-T191 VanDerWaalsContact O-CB 3.29Å; D187-T191 WeakPolarHBondContact O-CB 3.38Å; D187-T191 PolarHBondContact O-N 3.38Å; D187-T191 PolarHBondContact O-OG1 2.76Å; E188-T191 PolarHBondContact O-N 3.26Å; T191-W193 VanDerWaalsContact C-N 3.32Å; T191-W193 PolarHBondContact O-N 3.38Å; T191-R194 PolarHBondContact O-N 3.44Å; T191-H195 PolarHBondContact O-CD2 3.06Å; T191-H195 VanDerWaalsContact O-CD2 3.25Å; T191-H195 PolarHBondContact O-N 3.05Å; T191-H195 VanDerWaalsContact O-N 3.07Å |
| 192 | L | 86.6 | Confident | 87.8 | Confident | 115 Ų | 115 | 80.7 Ų | 80.7 | 60% | 0.602 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57.5 | -45 | 176.5 | -179.3 | 63.5 | 0 | 0 | 0 | 111.8 | E188 K189 R194 H195 M196 | E188-L192 WeakPolarHBondContact O-CB 3.42Å; E188-L192 PolarHBondContact O-N 3.22Å; K189-L192 PolarHBondContact O-N 2.94Å; L192-R194 PolarHBondContact O-N 3.33Å; L192-H195 PolarHBondContact O-N 3.4Å; L192-M196 HydrophobicContact CD1-CG 4.22Å; L192-M196 HydrophobicContact CG-CG 4.43Å; L192-M196 WeakPolarHBondContact O-CG 3.29Å; L192-M196 PolarHBondContact O-N 2.96Å |
| 193 | W | 89.8 | Confident | 88.1 | Confident | 167 Ų | 167 | 79.7 Ų | 79.7 | 63% | 0.633 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.5 | -44.5 | 177.6 | 179.5 | 87.5 | 0 | 0 | 0 | 112.1 | K189 L190 T191 H195 M196 S197 | K189-W193 WeakPolarHBondContact O-CB 3.5Å; K189-W193 PolarHBondContact O-N 3.4Å; L190-W193 HydrophobicContact CD1-CE3 4.39Å; L190-W193 PolarHBondContact O-N 2.97Å; T191-W193 VanDerWaalsContact C-N 3.32Å; T191-W193 PolarHBondContact O-N 3.38Å; W193-H195 PolarHBondContact O-N 3.45Å; W193-M196 PolarHBondContact O-N 3.43Å; W193-S197 VanDerWaalsContact O-CB 3.28Å; W193-S197 WeakPolarHBondContact O-CB 3.31Å; W193-S197 PolarHBondContact O-N 2.77Å |
| 194 | R | 89.5 | Confident | 88.6 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60 | -46 | 176.8 | -72.5 | 174.9 | 67 | -165.2 | -2.4 | 111.7 | L190 T191 L192 A198 D269 P270 | L190-R194 VanDerWaalsContact O-CG 3.31Å; L190-R194 WeakPolarHBondContact O-CG 3.38Å; L190-R194 PolarHBondContact O-N 3.08Å; T191-R194 PolarHBondContact O-N 3.44Å; L192-R194 PolarHBondContact O-N 3.33Å; R194-A198 WeakPolarHBondContact O-CB 3.48Å; R194-A198 PolarHBondContact O-N 2.98Å; R194-D269 IonicContact NH2-OD1 2.98Å; R194-P270 HydrophobicContact CB-CG 4.21Å |
| 195 | H | 88.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 76 Ų | 76 | 19% | 0.194 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.5 | -82.4 | -86.4 | 0 | 0 | 0 | 112.7 | T191 L192 W193 A198 H199 V264 C267 | T191-H195 PolarHBondContact O-CD2 3.06Å; T191-H195 VanDerWaalsContact O-CD2 3.25Å; T191-H195 PolarHBondContact O-N 3.05Å; T191-H195 VanDerWaalsContact O-N 3.07Å; L192-H195 PolarHBondContact O-N 3.4Å; W193-H195 PolarHBondContact O-N 3.45Å; H195-A198 PolarHBondContact O-N 3.08Å; H195-H199 VanDerWaalsContact O-CB 3.29Å; H195-H199 WeakPolarHBondContact O-CB 3.37Å; H195-H199 PolarHBondContact O-N 3.2Å; H195-V264 PolarHBondContact ND1-O 2.69Å; H195-C267 PolarHBondContact CE1-O 3.19Å |
| 196 | M | 90.5 | Very high | 89.4 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 179.7 | -71.7 | -61.9 | -68.6 | 0 | 0 | 112 | L192 W193 R200 | L192-M196 HydrophobicContact CD1-CG 4.22Å; L192-M196 HydrophobicContact CG-CG 4.43Å; L192-M196 WeakPolarHBondContact O-CG 3.29Å; L192-M196 PolarHBondContact O-N 2.96Å; W193-M196 PolarHBondContact O-N 3.43Å; M196-R200 WeakPolarHBondContact O-CB 3.29Å; M196-R200 PolarHBondContact O-N 2.99Å |
| 197 | S | 91.2 | Very high | 89.8 | Confident | 46 Ų | 46 | 75.1 Ų | 75.1 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 176.7 | -172 | 0 | 0 | 0 | 0 | 111.4 | W193 H199 R200 A201 | W193-S197 VanDerWaalsContact O-CB 3.28Å; W193-S197 WeakPolarHBondContact O-CB 3.31Å; W193-S197 PolarHBondContact O-N 2.77Å; S197-H199 PolarHBondContact O-N 3.23Å; S197-R200 PolarHBondContact O-N 2.99Å; S197-A201 PolarHBondContact O-N 3.33Å |
| 198 | A | 90.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R194 H195 A201 S202 V264 P270 L274 | R194-A198 WeakPolarHBondContact O-CB 3.48Å; R194-A198 PolarHBondContact O-N 2.98Å; H195-A198 PolarHBondContact O-N 3.08Å; A198-A201 PolarHBondContact O-N 2.95Å; A198-S202 VanDerWaalsContact O-CB 3.29Å; A198-S202 WeakPolarHBondContact O-CB 3.38Å; A198-S202 PolarHBondContact O-N 3.41Å; A198-V264 HydrophobicContact CB-CG1 3.82Å; A198-P270 HydrophobicContact CB-CB 3.66Å; A198-L274 HydrophobicContact CB-CD2 4.34Å |
| 199 | H | 90.5 | Very high | 90.7 | Very high | 51 Ų | 51 | 64.7 Ų | 64.7 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.3 | -179.8 | 67.6 | 0 | 0 | 0 | 111.5 | H195 S197 A201 S202 A203 | H195-H199 VanDerWaalsContact O-CB 3.29Å; H195-H199 WeakPolarHBondContact O-CB 3.37Å; H195-H199 PolarHBondContact O-N 3.2Å; S197-H199 PolarHBondContact O-N 3.23Å; H199-A201 PolarHBondContact O-N 3.21Å; H199-S202 PolarHBondContact O-N 2.85Å; H199-A203 WeakPolarHBondContact O-CB 3.4Å; H199-A203 PolarHBondContact O-N 3.47Å |
| 200 | R | 91.5 | Very high | 91 | Very high | 177 Ų | 177 | 58.7 Ų | 58.7 | 67% | 0.668 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.4 | -47.3 | 175.5 | -177.7 | -179 | -77 | 125.8 | -6.1 | 111.3 | M196 S197 S202 A203 E204 | M196-R200 WeakPolarHBondContact O-CB 3.29Å; M196-R200 PolarHBondContact O-N 2.99Å; S197-R200 PolarHBondContact O-N 2.99Å; R200-S202 VanDerWaalsContact C-N 3.32Å; R200-S202 PolarHBondContact O-N 2.77Å; R200-A203 PolarHBondContact O-N 2.89Å; R200-E204 WeakPolarHBondContact O-CB 3.39Å; R200-E204 PolarHBondContact O-N 3.25Å |
| 201 | A | 92.2 | Very high | 91.2 | Very high | 35 Ų | 35 | 58 Ų | 58 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S197 A198 H199 L205 L274 | S197-A201 PolarHBondContact O-N 3.33Å; A198-A201 PolarHBondContact O-N 2.95Å; H199-A201 PolarHBondContact O-N 3.21Å; A201-L205 WeakPolarHBondContact O-CB 3.24Å; A201-L205 PolarHBondContact O-N 2.93Å; A201-L274 HydrophobicContact CB-CD1 4.14Å; A201-L274 HydrophobicContact CB-CD2 3.71Å |
| 202 | S | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -44.9 | 176 | 173.4 | 0 | 0 | 0 | 0 | 112.4 | A198 H199 R200 L205 R206 L277 | A198-S202 VanDerWaalsContact O-CB 3.29Å; A198-S202 WeakPolarHBondContact O-CB 3.38Å; A198-S202 PolarHBondContact O-N 3.41Å; H199-S202 PolarHBondContact O-N 2.85Å; R200-S202 VanDerWaalsContact C-N 3.32Å; R200-S202 PolarHBondContact O-N 2.77Å; S202-L205 PolarHBondContact O-N 3.25Å; S202-R206 WeakPolarHBondContact O-CB 3.43Å; S202-R206 VanDerWaalsContact O-CG 3.32Å; S202-R206 WeakPolarHBondContact O-CG 3.36Å; S202-R206 PolarHBondContact O-N 3.39Å; S202-R206 PolarHBondContact OG-NE 3.04Å; S202-R206 PolarHBondContact OG-NH1 3.34Å; S202-R206 PolarHBondContact OG-NH2 3.02Å; S202-L277 WeakPolarHBondContact OG-CD2 3.5Å |
| 203 | A | 92 | Very high | 91.8 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H199 R200 R206 Y207 Q228 | H199-A203 WeakPolarHBondContact O-CB 3.4Å; H199-A203 PolarHBondContact O-N 3.47Å; R200-A203 PolarHBondContact O-N 2.89Å; A203-R206 PolarHBondContact O-N 2.95Å; A203-Y207 WeakPolarHBondContact O-CB 3.39Å; A203-Y207 PolarHBondContact O-N 3Å; A203-Q228 HydrophobicContact CB-CG 4.45Å |
| 204 | E | 93.8 | Very high | 91.8 | Very high | 81 Ų | 81 | 44.2 Ų | 44.2 | 38% | 0.379 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 175 | -178.7 | 57.3 | -151.9 | 0 | 0 | 111.3 | R200 R206 Y207 Q208 | R200-E204 WeakPolarHBondContact O-CB 3.39Å; R200-E204 PolarHBondContact O-N 3.25Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.45Å; E204-Y207 PolarHBondContact O-N 2.92Å; E204-Q208 WeakPolarHBondContact O-CG 3.48Å; E204-Q208 PolarHBondContact O-N 3Å; E204-Q208 VanDerWaalsContact OE1-CG 3.24Å; E204-Q208 WeakPolarHBondContact OE1-CG 3.38Å; E204-Q208 PolarHBondContact OE1-NE2 3.37Å |
| 205 | L | 94.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | -179.7 | -178.3 | 59 | 0 | 0 | 0 | 112.2 | A201 S202 T209 L277 R278 V281 L304 V305 I308 | A201-L205 WeakPolarHBondContact O-CB 3.24Å; A201-L205 PolarHBondContact O-N 2.93Å; S202-L205 PolarHBondContact O-N 3.25Å; L205-T209 WeakPolarHBondContact O-CB 3.23Å; L205-T209 PolarHBondContact O-N 3.19Å; L205-T209 PolarHBondContact O-OG1 3.07Å; L205-L277 HydrophobicContact CD2-CD2 4.23Å; L205-L277 HydrophobicContact CD2-CG 3.95Å; L205-R278 HydrophobicContact CD2-CB 4.48Å; L205-R278 HydrophobicContact CD2-CG 3.83Å; L205-V281 HydrophobicContact CD1-CG1 4.05Å; L205-V281 HydrophobicContact CD1-CG2 4.5Å; L205-V281 HydrophobicContact CD2-CG2 4.21Å; L205-V281 HydrophobicContact CG-CG2 4.11Å; L205-L304 HydrophobicContact CD1-CD2 3.67Å; L205-L304 HydrophobicContact CD1-CG 3.91Å; L205-L304 HydrophobicContact CD2-CD2 3.91Å; L205-L304 HydrophobicContact CG-CD2 4.45Å; L205-V305 HydrophobicContact CD1-CG2 4.18Å; L205-I308 HydrophobicContact CD1-CD1 3.61Å |
| 206 | R | 93.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 174.5 | -75.2 | 165.5 | -175.6 | 156.9 | 2.7 | 111.8 | S202 A203 E204 T209 L210 P227 Q228 V232 D233 F236 L277 | S202-R206 WeakPolarHBondContact O-CB 3.43Å; S202-R206 VanDerWaalsContact O-CG 3.32Å; S202-R206 WeakPolarHBondContact O-CG 3.36Å; S202-R206 PolarHBondContact O-N 3.39Å; S202-R206 PolarHBondContact OG-NE 3.04Å; S202-R206 PolarHBondContact OG-NH1 3.34Å; S202-R206 PolarHBondContact OG-NH2 3.02Å; A203-R206 PolarHBondContact O-N 2.95Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.45Å; R206-T209 PolarHBondContact O-N 3.49Å; R206-L210 WeakPolarHBondContact O-CB 3.18Å; R206-L210 VanDerWaalsContact O-CG 3.31Å; R206-L210 WeakPolarHBondContact O-CG 3.43Å; R206-L210 PolarHBondContact O-N 3.3Å; R206-P227 HydrophobicContact CB-CB 4.27Å; R206-P227 WeakPolarHBondContact CD-O 3.28Å; R206-P227 PolarHBondContact NH1-O 3.37Å; R206-Q228 PolarHBondContact NH1-O 2.88Å; R206-V232 HydrophobicContact CB-CG1 4Å; R206-V232 HydrophobicContact CG-CB 4.19Å; R206-V232 HydrophobicContact CG-CG1 3.91Å; R206-D233 IonicContact CZ-OD1 2.94Å; R206-D233 IonicContact CZ-OD2 3.72Å; R206-D233 IonicContact NE-OD1 3.39Å; R206-D233 PolarHBondContact NE-OD1 3.4Å; R206-D233 IonicContact NE-OD2 3.47Å; R206-D233 IonicContact NH2-OD1 3.62Å; R206-D233 PolarHBondContact NH2-OD1 2.91Å; R206-D233 IonicContact NH2-OD2 2.74Å; R206-D233 PolarHBondContact NH2-OD2 2.9Å; R206-F236 HydrophobicContact CB-CE2 4.48Å; R206-F236 HydrophobicContact CG-CE2 4.06Å; R206-L277 HydrophobicContact CG-CD2 4.16Å |
| 207 | Y | 93.5 | Very high | 91.6 | Very high | 111 Ų | 111 | 41.5 Ų | 41.5 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.4 | -49.7 | 179.3 | 173.6 | -102.6 | 0 | 0 | 0 | 111.3 | A203 E204 T209 L210 R211 P227 | A203-Y207 WeakPolarHBondContact O-CB 3.39Å; A203-Y207 PolarHBondContact O-N 3Å; E204-Y207 PolarHBondContact O-N 2.92Å; Y207-T209 VanDerWaalsContact C-N 3.34Å; Y207-T209 PolarHBondContact O-N 3.09Å; Y207-L210 PolarHBondContact O-N 2.89Å; Y207-R211 WeakPolarHBondContact O-CB 3.34Å; Y207-R211 PolarHBondContact O-N 3.06Å; Y207-P227 HydrophobicContact CD2-CG 4.01Å |
| 208 | Q | 93.1 | Very high | 91 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 180 | -64.3 | -66.4 | 1 | 0 | 0 | 112.1 | E204 R211 L212 V305 I308 D309 | E204-Q208 WeakPolarHBondContact O-CG 3.48Å; E204-Q208 PolarHBondContact O-N 3Å; E204-Q208 VanDerWaalsContact OE1-CG 3.24Å; E204-Q208 WeakPolarHBondContact OE1-CG 3.38Å; E204-Q208 PolarHBondContact OE1-NE2 3.37Å; Q208-R211 WeakPolarHBondContact O-CB 3.47Å; Q208-R211 PolarHBondContact O-N 3.26Å; Q208-L212 PolarHBondContact O-N 3.45Å; Q208-V305 HydrophobicContact CG-CG1 4.28Å; Q208-I308 HydrophobicContact CB-CB 4.47Å; Q208-I308 HydrophobicContact CB-CG2 3.82Å; Q208-I308 WeakPolarHBondContact O-CG2 3.42Å; Q208-D309 PolarHBondContact OE1-OD1 2.84Å |
| 209 | T | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 176.9 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | L205 R206 Y207 R211 L212 L213 F236 V281 L284 | L205-T209 WeakPolarHBondContact O-CB 3.23Å; L205-T209 PolarHBondContact O-N 3.19Å; L205-T209 PolarHBondContact O-OG1 3.07Å; R206-T209 PolarHBondContact O-N 3.49Å; Y207-T209 VanDerWaalsContact C-N 3.34Å; Y207-T209 PolarHBondContact O-N 3.09Å; T209-R211 VanDerWaalsContact C-N 3.33Å; T209-R211 PolarHBondContact O-N 2.89Å; T209-L212 PolarHBondContact O-N 3.5Å; T209-L213 WeakPolarHBondContact O-CG 3.35Å; T209-L213 PolarHBondContact O-N 3.37Å; T209-F236 HydrophobicContact CG2-CD1 4.25Å; T209-F236 HydrophobicContact CG2-CE1 3.67Å; T209-F236 HydrophobicContact CG2-CE2 4Å; T209-F236 HydrophobicContact CG2-CZ 3.52Å; T209-V281 HydrophobicContact CG2-CG1 4.17Å; T209-V281 HydrophobicContact CG2-CG2 4.39Å; T209-V281 VanDerWaalsContact OG1-CG1 3.32Å; T209-V281 WeakPolarHBondContact OG1-CG1 3.29Å; T209-L284 HydrophobicContact CG2-CD2 4.09Å |
| 210 | L | 93.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 174.9 | -77.3 | 172.2 | 0 | 0 | 0 | 112.1 | R206 Y207 L213 N214 F220 H222 F225 P227 V232 L235 F236 | R206-L210 WeakPolarHBondContact O-CB 3.18Å; R206-L210 VanDerWaalsContact O-CG 3.31Å; R206-L210 WeakPolarHBondContact O-CG 3.43Å; R206-L210 PolarHBondContact O-N 3.3Å; Y207-L210 PolarHBondContact O-N 2.89Å; L210-L213 PolarHBondContact O-N 2.94Å; L210-N214 PolarHBondContact O-N 3.4Å; L210-F220 HydrophobicContact CD2-CE1 3.76Å; L210-F220 HydrophobicContact CD2-CZ 3.63Å; L210-H222 HydrophobicContact CB-CB 4.22Å; L210-F225 HydrophobicContact CD1-CB 3.89Å; L210-F225 HydrophobicContact CD2-CB 4.21Å; L210-F225 HydrophobicContact CD2-CD2 4.19Å; L210-F225 HydrophobicContact CD2-CG 4.37Å; L210-P227 HydrophobicContact CD1-CG 4.39Å; L210-V232 HydrophobicContact CD1-CG1 3.94Å; L210-V232 HydrophobicContact CD1-CG2 4.22Å; L210-V232 HydrophobicContact CD2-CG1 4.22Å; L210-V232 HydrophobicContact CG-CG1 4.04Å; L210-L235 HydrophobicContact CD2-CD2 4.01Å; L210-F236 HydrophobicContact CD2-CE1 4.07Å; L210-F236 HydrophobicContact CG-CE1 4.2Å; L210-F236 HydrophobicContact CG-CZ 4.22Å |
| 211 | R | 91.1 | Very high | 89.6 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 29% | 0.291 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 174.6 | 177.3 | 178.3 | 165.4 | -130.2 | -2.2 | 111.5 | Y207 Q208 T209 N214 I215 D309 | Y207-R211 WeakPolarHBondContact O-CB 3.34Å; Y207-R211 PolarHBondContact O-N 3.06Å; Q208-R211 WeakPolarHBondContact O-CB 3.47Å; Q208-R211 PolarHBondContact O-N 3.26Å; T209-R211 VanDerWaalsContact C-N 3.33Å; T209-R211 PolarHBondContact O-N 2.89Å; R211-N214 PolarHBondContact O-N 3.45Å; R211-I215 HydrophobicContact CG-CD1 4.43Å; R211-I215 WeakPolarHBondContact O-CG1 3.47Å; R211-I215 PolarHBondContact O-N 2.74Å; R211-D309 IonicContact NH1-OD1 2.69Å; R211-D309 PolarHBondContact NH1-OD1 3.4Å |
| 212 | L | 91.9 | Very high | 89 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 175 | 179.6 | 65 | 0 | 0 | 0 | 111.8 | Q208 T209 N214 I215 L216 L285 I308 A311 | Q208-L212 PolarHBondContact O-N 3.45Å; T209-L212 PolarHBondContact O-N 3.5Å; L212-N214 VanDerWaalsContact C-N 3.25Å; L212-N214 PolarHBondContact O-N 2.97Å; L212-I215 WeakPolarHBondContact O-CB 3.45Å; L212-I215 PolarHBondContact O-N 2.88Å; L212-L216 HydrophobicContact CD1-CD1 4.2Å; L212-L216 HydrophobicContact CD1-CG 4.15Å; L212-L216 HydrophobicContact CD2-CD1 4.41Å; L212-L216 HydrophobicContact CG-CD1 3.94Å; L212-L216 HydrophobicContact CG-CG 4.29Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 2.91Å; L212-L285 HydrophobicContact CD2-CD2 3.19Å; L212-I308 HydrophobicContact CB-CG2 4.06Å; L212-I308 HydrophobicContact CD2-CG2 4.29Å; L212-A311 HydrophobicContact CD1-CB 4.03Å; L212-A311 HydrophobicContact CD2-CB 4.35Å |
| 213 | L | 92.3 | Very high | 88.3 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.1 | -39.6 | 176.7 | -74.3 | 171.5 | 0 | 0 | 0 | 112.2 | T209 L210 I215 L216 E217 F220 F236 I239 L288 | T209-L213 WeakPolarHBondContact O-CG 3.35Å; T209-L213 PolarHBondContact O-N 3.37Å; L210-L213 PolarHBondContact O-N 2.94Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 3.46Å; L213-L216 PolarHBondContact O-N 2.98Å; L213-E217 PolarHBondContact O-N 3.36Å; L213-F220 HydrophobicContact CB-CD1 3.64Å; L213-F220 HydrophobicContact CB-CE1 3.61Å; L213-F220 HydrophobicContact CB-CG 4.29Å; L213-F220 HydrophobicContact CB-CZ 4.25Å; L213-F220 HydrophobicContact CD1-CE1 4.1Å; L213-F220 HydrophobicContact CD1-CZ 3.99Å; L213-F236 HydrophobicContact CD1-CD1 4.16Å; L213-F236 HydrophobicContact CD1-CE1 3.89Å; L213-I239 HydrophobicContact CD1-CD1 3.8Å; L213-I239 HydrophobicContact CD2-CD1 4.3Å; L213-L288 HydrophobicContact CD2-CD1 3.53Å |
| 214 | N | 90 | Very high | 87.9 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.3 | -29.7 | 175.9 | -176.3 | 90.4 | 0 | 0 | 0 | 113.5 | L210 R211 L212 E217 F220 H222 | L210-N214 PolarHBondContact O-N 3.4Å; R211-N214 PolarHBondContact O-N 3.45Å; L212-N214 VanDerWaalsContact C-N 3.25Å; L212-N214 PolarHBondContact O-N 2.97Å; N214-E217 CarbonylContact O-C 3.36Å; N214-F220 HydrophobicContact CB-CD1 4.26Å; N214-F220 PolarHBondContact OD1-O 3.32Å; N214-H222 HydrophobicContact CB-CB 4.03Å; N214-H222 WeakPolarHBondContact CB-ND1 3.33Å; N214-H222 PolarHBondContact OD1-ND1 2.95Å |
| 215 | I | 89.1 | Confident | 87.6 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.1 | -42.1 | 175.1 | -66.9 | 165.1 | 0 | 0 | 0 | 110.1 | R211 L212 L213 C312 N315 L316 | R211-I215 HydrophobicContact CG-CD1 4.43Å; R211-I215 WeakPolarHBondContact O-CG1 3.47Å; R211-I215 PolarHBondContact O-N 2.74Å; L212-I215 WeakPolarHBondContact O-CB 3.45Å; L212-I215 PolarHBondContact O-N 2.88Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 3.46Å; I215-C312 HydrophobicContact CD1-CB 3.57Å; I215-N315 HydrophobicContact CG2-CB 3.61Å; I215-L316 HydrophobicContact CD1-CD1 3.82Å; I215-L316 HydrophobicContact CD1-CD2 4.26Å; I215-L316 HydrophobicContact CD1-CG 3.92Å; I215-L316 HydrophobicContact CG1-CD2 4.1Å; I215-L316 HydrophobicContact CG1-CG 4.27Å; I215-L316 HydrophobicContact CG2-CD2 4.22Å; I215-L316 HydrophobicContact CG2-CG 4.18Å |
| 216 | L | 88.6 | Confident | 87.3 | Confident | 52 Ų | 52 | 64 Ų | 64 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.2 | -35.8 | -178.7 | -65 | 176.5 | 0 | 0 | 0 | 112.8 | L212 L213 L288 L289 N315 | L212-L216 HydrophobicContact CD1-CD1 4.2Å; L212-L216 HydrophobicContact CD1-CG 4.15Å; L212-L216 HydrophobicContact CD2-CD1 4.41Å; L212-L216 HydrophobicContact CG-CD1 3.94Å; L212-L216 HydrophobicContact CG-CG 4.29Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 2.91Å; L213-L216 PolarHBondContact O-N 2.98Å; L216-L288 HydrophobicContact CD1-CB 4.12Å; L216-L288 HydrophobicContact CD1-CD1 4.22Å; L216-L289 HydrophobicContact CD1-CD2 4.4Å; L216-L289 HydrophobicContact CD2-CD2 4.13Å; L216-N315 HydrophobicContact CD2-CB 4.44Å |
| 217 | E | 87.1 | Confident | 87 | Confident | 101 Ų | 101 | 65.4 Ų | 65.4 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | trans | -126.8 | 96.4 | 178.5 | -179.1 | 57.6 | -146.1 | 0 | 0 | 109.2 | L213 N214 H219 F220 | L213-E217 PolarHBondContact O-N 3.36Å; N214-E217 CarbonylContact O-C 3.36Å; E217-H219 PolarHBondContact O-N 3.17Å; E217-H219 IonicContact OE1-CD2 3.41Å; E217-H219 PolarHBondContact OE1-CD2 2.94Å; E217-H219 IonicContact OE1-CG 3.87Å; E217-F220 HydrophobicContact CB-CB 4.06Å; E217-F220 HydrophobicContact CG-CB 4.1Å; E217-F220 WeakPolarHBondContact O-CB 3.25Å; E217-F220 PolarHBondContact O-N 3.04Å | ||
| 218 | P | 78.5 | Confident | 86.8 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 66% | 0.662 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.4 | -175.6 | -27 | 35.6 | 0 | 0 | 0 | 114.8 | F220 | P218-F220 VanDerWaalsContact C-N 3.32Š|
| 219 | H | 80.2 | Confident | 86.4 | Confident | 161 Ų | 161 | 66.4 Ų | 66.4 | 75% | 0.745 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.2 | 174.6 | -59.9 | -55.8 | 0 | 0 | 0 | 113.4 | E217 Q221 | E217-H219 PolarHBondContact O-N 3.17Å; E217-H219 IonicContact OE1-CD2 3.41Å; E217-H219 PolarHBondContact OE1-CD2 2.94Å; E217-H219 IonicContact OE1-CG 3.87Å; H219-Q221 PolarHBondContact O-N 2.98Å; H219-Q221 VanDerWaalsContact O-N 3.16Å |
| 220 | F | 83.5 | Confident | 85.9 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | trans | -75.4 | 101.6 | 177.5 | -178.4 | -103 | 0 | 0 | 0 | 110.9 | L210 L213 N214 E217 P218 H222 F225 L235 | L210-F220 HydrophobicContact CD2-CE1 3.76Å; L210-F220 HydrophobicContact CD2-CZ 3.63Å; L213-F220 HydrophobicContact CB-CD1 3.64Å; L213-F220 HydrophobicContact CB-CE1 3.61Å; L213-F220 HydrophobicContact CB-CG 4.29Å; L213-F220 HydrophobicContact CB-CZ 4.25Å; L213-F220 HydrophobicContact CD1-CE1 4.1Å; L213-F220 HydrophobicContact CD1-CZ 3.99Å; N214-F220 HydrophobicContact CB-CD1 4.26Å; N214-F220 PolarHBondContact OD1-O 3.32Å; E217-F220 HydrophobicContact CB-CB 4.06Å; E217-F220 HydrophobicContact CG-CB 4.1Å; E217-F220 WeakPolarHBondContact O-CB 3.25Å; E217-F220 PolarHBondContact O-N 3.04Å; P218-F220 VanDerWaalsContact C-N 3.32Å; F220-H222 VanDerWaalsContact C-N 3.29Å; F220-H222 HydrophobicContact CD1-CB 3.93Å; F220-H222 HydrophobicContact CE1-CB 3.67Å; F220-H222 PolarHBondContact O-N 3.23Å; F220-F225 AromaticContact CE2-CE2 3.91Å; F220-F225 HydrophobicContact CE2-CE2 3.91Å; F220-F225 HydrophobicContact CZ-CD2 4.05Å; F220-F225 AromaticContact CZ-CE2 3.84Å; F220-F225 HydrophobicContact CZ-CE2 3.84Å; F220-L235 HydrophobicContact CE2-CD2 4.01Å; F220-L235 HydrophobicContact CZ-CD2 3.76Å | ||
| 221 | Q | 79.7 | Confident | 85.5 | Confident | 108 Ų | 108 | 71.8 Ų | 71.8 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | trans | -77.3 | 75 | -179.8 | -66.5 | 176.8 | -11.6 | 0 | 0 | 111.8 | H219 T223 K224 | H219-Q221 PolarHBondContact O-N 2.98Å; H219-Q221 VanDerWaalsContact O-N 3.16Å; Q221-T223 PolarHBondContact O-N 3.3Å; Q221-T223 VanDerWaalsContact O-N 3.11Å; Q221-K224 HydrophobicContact CB-CD 4.03Å; Q221-K224 HydrophobicContact CB-CG 4.24Å; Q221-K224 WeakPolarHBondContact O-CB 3.44Å; Q221-K224 PolarHBondContact O-N 3.18Å; Q221-K224 VanDerWaalsContact O-N 3.11Å | ||
| 222 | H | 79.1 | Confident | 85.4 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -55.4 | -29.3 | -178.2 | 70.5 | -75.4 | 0 | 0 | 0 | 114.1 | L210 N214 F220 K224 F225 | L210-H222 HydrophobicContact CB-CB 4.22Å; N214-H222 HydrophobicContact CB-CB 4.03Å; N214-H222 WeakPolarHBondContact CB-ND1 3.33Å; N214-H222 PolarHBondContact OD1-ND1 2.95Å; F220-H222 VanDerWaalsContact C-N 3.29Å; F220-H222 HydrophobicContact CD1-CB 3.93Å; F220-H222 HydrophobicContact CE1-CB 3.67Å; F220-H222 PolarHBondContact O-N 3.23Å; H222-K224 PolarHBondContact O-N 3.28Å; H222-K224 VanDerWaalsContact O-N 3.1Å; H222-F225 PolarHBondContact O-N 2.98Å; H222-F225 VanDerWaalsContact O-N 3.07Å |
| 223 | T | 77.5 | Confident | 85.3 | Confident | 116 Ų | 116 | 68.6 Ų | 68.6 | 71% | 0.712 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -63.4 | -13.5 | 179.3 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | Q221 F225 | Q221-T223 PolarHBondContact O-N 3.3Å; Q221-T223 VanDerWaalsContact O-N 3.11Å; T223-F225 VanDerWaalsContact C-N 3.3Å |
| 224 | K | 82.6 | Confident | 85 | Confident | 153 Ų | 153 | 71.5 Ų | 71.5 | 67% | 0.665 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -78.1 | -14 | 174.6 | -71.8 | -178.6 | 164.1 | 172.6 | 0 | 113.7 | Q221 H222 | Q221-K224 HydrophobicContact CB-CD 4.03Å; Q221-K224 HydrophobicContact CB-CG 4.24Å; Q221-K224 WeakPolarHBondContact O-CB 3.44Å; Q221-K224 PolarHBondContact O-N 3.18Å; Q221-K224 VanDerWaalsContact O-N 3.11Å; H222-K224 PolarHBondContact O-N 3.28Å; H222-K224 VanDerWaalsContact O-N 3.1Å |
| 225 | F | 86.9 | Confident | 85 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -107 | 128.6 | -175.9 | -61.2 | -78.1 | 0 | 0 | 0 | 110.2 | L210 F220 H222 T223 P227 V232 L235 | L210-F225 HydrophobicContact CD1-CB 3.89Å; L210-F225 HydrophobicContact CD2-CB 4.21Å; L210-F225 HydrophobicContact CD2-CD2 4.19Å; L210-F225 HydrophobicContact CD2-CG 4.37Å; F220-F225 AromaticContact CE2-CE2 3.91Å; F220-F225 HydrophobicContact CE2-CE2 3.91Å; F220-F225 HydrophobicContact CZ-CD2 4.05Å; F220-F225 AromaticContact CZ-CE2 3.84Å; F220-F225 HydrophobicContact CZ-CE2 3.84Å; H222-F225 PolarHBondContact O-N 2.98Å; H222-F225 VanDerWaalsContact O-N 3.07Å; T223-F225 VanDerWaalsContact C-N 3.3Å; F225-P227 VanDerWaalsContact O-CD 3.31Å; F225-P227 WeakPolarHBondContact O-CD 3.45Å; F225-V232 HydrophobicContact CB-CG2 4.21Å; F225-L235 HydrophobicContact CD1-CD2 3.89Å; F225-L235 HydrophobicContact CD2-CD2 3.93Å; F225-L235 HydrophobicContact CE1-CD1 4.34Å; F225-L235 HydrophobicContact CE1-CD2 3.66Å; F225-L235 HydrophobicContact CE1-CG 4.43Å; F225-L235 HydrophobicContact CE2-CD2 3.69Å; F225-L235 HydrophobicContact CG-CD2 4.03Å; F225-L235 HydrophobicContact CZ-CD1 4.06Å; F225-L235 HydrophobicContact CZ-CD2 3.55Å; F225-L235 HydrophobicContact CZ-CG 4.39Å |
| 226 | D | 88.5 | Confident | 85.2 | Confident | 87 Ų | 87 | 69 Ų | 69 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | trans | -79.5 | 114.7 | 171.7 | 173.2 | 14.1 | 0 | 0 | 0 | 109.7 | Q228 S229 V232 | D226-Q228 PolarHBondContact O-N 3.44Å; D226-Q228 VanDerWaalsContact O-N 3.13Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.33Å; D226-Q228 PolarHBondContact OD1-N 3.14Å; D226-S229 VanDerWaalsContact O-CB 3.23Å; D226-S229 WeakPolarHBondContact O-CB 3.29Å; D226-S229 PolarHBondContact O-N 2.96Å; D226-V232 WeakPolarHBondContact O-CG2 3.49Å | ||
| 227 | P | 88.5 | Confident | 85.2 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 20% | 0.195 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.3 | 178.1 | -20.6 | 33.2 | 0 | 0 | 0 | 113.7 | R206 Y207 L210 F225 S229 | R206-P227 HydrophobicContact CB-CB 4.27Å; R206-P227 WeakPolarHBondContact CD-O 3.28Å; R206-P227 PolarHBondContact NH1-O 3.37Å; Y207-P227 HydrophobicContact CD2-CG 4.01Å; L210-P227 HydrophobicContact CD1-CG 4.39Å; F225-P227 VanDerWaalsContact O-CD 3.31Å; F225-P227 WeakPolarHBondContact O-CD 3.45Å; P227-S229 VanDerWaalsContact C-N 3.27Å |
| 228 | Q | 87.7 | Confident | 85.2 | Confident | 122 Ų | 122 | 68.5 Ų | 68.5 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.4 | 175.5 | -56.4 | -175.4 | 4.3 | 0 | 0 | 111.8 | A203 R206 D226 | A203-Q228 HydrophobicContact CB-CG 4.45Å; R206-Q228 PolarHBondContact NH1-O 2.88Å; D226-Q228 PolarHBondContact O-N 3.44Å; D226-Q228 VanDerWaalsContact O-N 3.13Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.33Å; D226-Q228 PolarHBondContact OD1-N 3.14Å |
| 229 | S | 85.8 | Confident | 85.8 | Confident | 26 Ų | 26 | 65 Ų | 65 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -79.8 | 134.1 | -175.7 | -170.4 | 0 | 0 | 0 | 0 | 112.7 | D226 P227 N231 V232 | D226-S229 VanDerWaalsContact O-CB 3.23Å; D226-S229 WeakPolarHBondContact O-CB 3.29Å; D226-S229 PolarHBondContact O-N 2.96Å; P227-S229 VanDerWaalsContact C-N 3.27Å; S229-N231 PolarHBondContact O-N 2.88Å; S229-N231 VanDerWaalsContact O-N 3.15Å; S229-N231 PolarHBondContact OG-N 2.87Å; S229-N231 PolarHBondContact OG-ND2 2.9Å; S229-V232 WeakPolarHBondContact O-CG2 3.36Å; S229-V232 PolarHBondContact O-N 3.23Å |
| 230 | P | 81.5 | Confident | 86.2 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.2 | 171.5 | 31.1 | -38.2 | 0 | 0 | 0 | 113 | V232 D233 V263 | P230-V232 PolarHBondContact O-N 3.38Å; P230-D233 WeakPolarHBondContact O-CB 3.49Å; P230-D233 PolarHBondContact O-N 3.37Å; P230-D233 VanDerWaalsContact O-N 3.11Å; P230-V263 HydrophobicContact CB-CG1 4.26Å; P230-V263 HydrophobicContact CB-CG2 4.1Å; P230-V263 HydrophobicContact CG-CB 4.42Å; P230-V263 HydrophobicContact CG-CG1 4.02Å; P230-V263 HydrophobicContact CG-CG2 3.76Å |
| 231 | N | 85.2 | Confident | 86.4 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -22.8 | 174.6 | -71 | -30.6 | 0 | 0 | 0 | 112.4 | S229 D233 K234 L235 | S229-N231 PolarHBondContact O-N 2.88Å; S229-N231 VanDerWaalsContact O-N 3.15Å; S229-N231 PolarHBondContact OG-N 2.87Å; S229-N231 PolarHBondContact OG-ND2 2.9Å; N231-D233 VanDerWaalsContact C-N 3.26Å; N231-D233 PolarHBondContact O-N 3.25Å; N231-K234 WeakPolarHBondContact O-CB 3.44Å; N231-K234 PolarHBondContact O-N 3.38Å; N231-K234 PolarHBondContact OD1-NZ 3.49Å; N231-L235 PolarHBondContact O-N 3.44Å; N231-L235 VanDerWaalsContact O-N 3.09Å |
| 232 | V | 89.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -35.7 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | R206 L210 F225 D226 S229 P230 K234 L235 F236 | R206-V232 HydrophobicContact CB-CG1 4Å; R206-V232 HydrophobicContact CG-CB 4.19Å; R206-V232 HydrophobicContact CG-CG1 3.91Å; L210-V232 HydrophobicContact CD1-CG1 3.94Å; L210-V232 HydrophobicContact CD1-CG2 4.22Å; L210-V232 HydrophobicContact CD2-CG1 4.22Å; L210-V232 HydrophobicContact CG-CG1 4.04Å; F225-V232 HydrophobicContact CB-CG2 4.21Å; D226-V232 WeakPolarHBondContact O-CG2 3.49Å; S229-V232 WeakPolarHBondContact O-CG2 3.36Å; S229-V232 PolarHBondContact O-N 3.23Å; P230-V232 PolarHBondContact O-N 3.38Å; V232-K234 VanDerWaalsContact C-N 3.29Å; V232-K234 PolarHBondContact O-N 3.49Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 2.86Å; V232-L235 VanDerWaalsContact O-N 3.14Å; V232-F236 HydrophobicContact CG1-CD1 4.31Å; V232-F236 HydrophobicContact CG1-CD2 4.3Å; V232-F236 HydrophobicContact CG1-CE1 3.64Å; V232-F236 HydrophobicContact CG1-CE2 3.64Å; V232-F236 HydrophobicContact CG1-CZ 3.25Å; V232-F236 WeakPolarHBondContact O-CG 3.31Å; V232-F236 PolarHBondContact O-N 3.32Å |
| 233 | D | 89.6 | Confident | 87 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.6 | -34.3 | 178.5 | -53.7 | -10.6 | 0 | 0 | 0 | 110.9 | R206 P230 N231 F236 S237 L277 L280 | R206-D233 IonicContact CZ-OD1 2.94Å; R206-D233 IonicContact CZ-OD2 3.72Å; R206-D233 IonicContact NE-OD1 3.39Å; R206-D233 PolarHBondContact NE-OD1 3.4Å; R206-D233 IonicContact NE-OD2 3.47Å; R206-D233 IonicContact NH2-OD1 3.62Å; R206-D233 PolarHBondContact NH2-OD1 2.91Å; R206-D233 IonicContact NH2-OD2 2.74Å; R206-D233 PolarHBondContact NH2-OD2 2.9Å; P230-D233 WeakPolarHBondContact O-CB 3.49Å; P230-D233 PolarHBondContact O-N 3.37Å; P230-D233 VanDerWaalsContact O-N 3.11Å; N231-D233 VanDerWaalsContact C-N 3.26Å; N231-D233 PolarHBondContact O-N 3.25Å; D233-F236 PolarHBondContact O-N 3.47Å; D233-S237 WeakPolarHBondContact O-CB 3.4Å; D233-S237 PolarHBondContact O-N 3.31Å; D233-S237 PolarHBondContact O-OG 3.21Å; D233-L277 VanDerWaalsContact OD1-CD1 3.28Å; D233-L277 WeakPolarHBondContact OD1-CD1 3.27Å; D233-L280 HydrophobicContact CB-CD2 4.39Å |
| 234 | K | 86.4 | Confident | 87.3 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 172.8 | -63.8 | 177.6 | -179.3 | 168.2 | 0 | 111.2 | N231 V232 S237 Y238 P257 | N231-K234 WeakPolarHBondContact O-CB 3.44Å; N231-K234 PolarHBondContact O-N 3.38Å; N231-K234 PolarHBondContact OD1-NZ 3.49Å; V232-K234 VanDerWaalsContact C-N 3.29Å; V232-K234 PolarHBondContact O-N 3.49Å; K234-S237 PolarHBondContact O-N 3.5Å; K234-Y238 WeakPolarHBondContact O-CB 3.37Å; K234-Y238 PolarHBondContact O-N 2.72Å; K234-P257 HydrophobicContact CD-CB 4.25Å; K234-P257 HydrophobicContact CG-CB 4.47Å |
| 235 | L | 89.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 174.3 | 176.3 | 68.9 | 0 | 0 | 0 | 111.2 | L210 F220 F225 N231 V232 S237 Y238 I239 | L210-L235 HydrophobicContact CD2-CD2 4.01Å; F220-L235 HydrophobicContact CE2-CD2 4.01Å; F220-L235 HydrophobicContact CZ-CD2 3.76Å; F225-L235 HydrophobicContact CD1-CD2 3.89Å; F225-L235 HydrophobicContact CD2-CD2 3.93Å; F225-L235 HydrophobicContact CE1-CD1 4.34Å; F225-L235 HydrophobicContact CE1-CD2 3.66Å; F225-L235 HydrophobicContact CE1-CG 4.43Å; F225-L235 HydrophobicContact CE2-CD2 3.69Å; F225-L235 HydrophobicContact CG-CD2 4.03Å; F225-L235 HydrophobicContact CZ-CD1 4.06Å; F225-L235 HydrophobicContact CZ-CD2 3.55Å; F225-L235 HydrophobicContact CZ-CG 4.39Å; N231-L235 PolarHBondContact O-N 3.44Å; N231-L235 VanDerWaalsContact O-N 3.09Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 2.86Å; V232-L235 VanDerWaalsContact O-N 3.14Å; L235-S237 VanDerWaalsContact C-N 3.3Å; L235-S237 PolarHBondContact O-N 3.46Å; L235-Y238 WeakPolarHBondContact O-CB 3.34Å; L235-Y238 PolarHBondContact O-N 2.87Å; L235-Y238 VanDerWaalsContact O-N 3.13Å; L235-I239 HydrophobicContact CD1-CD1 4.12Å; L235-I239 HydrophobicContact CD1-CG1 4.32Å; L235-I239 HydrophobicContact CG-CD1 3.95Å; L235-I239 WeakPolarHBondContact O-CG1 3.5Å; L235-I239 PolarHBondContact O-N 3.39Å |
| 236 | F | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 177 | -63.4 | -19 | 0 | 0 | 0 | 111.9 | R206 T209 L210 L213 V232 D233 Y238 I239 L240 L277 L280 V281 L284 | R206-F236 HydrophobicContact CB-CE2 4.48Å; R206-F236 HydrophobicContact CG-CE2 4.06Å; T209-F236 HydrophobicContact CG2-CD1 4.25Å; T209-F236 HydrophobicContact CG2-CE1 3.67Å; T209-F236 HydrophobicContact CG2-CE2 4Å; T209-F236 HydrophobicContact CG2-CZ 3.52Å; L210-F236 HydrophobicContact CD2-CE1 4.07Å; L210-F236 HydrophobicContact CG-CE1 4.2Å; L210-F236 HydrophobicContact CG-CZ 4.22Å; L213-F236 HydrophobicContact CD1-CD1 4.16Å; L213-F236 HydrophobicContact CD1-CE1 3.89Å; V232-F236 HydrophobicContact CG1-CD1 4.31Å; V232-F236 HydrophobicContact CG1-CD2 4.3Å; V232-F236 HydrophobicContact CG1-CE1 3.64Å; V232-F236 HydrophobicContact CG1-CE2 3.64Å; V232-F236 HydrophobicContact CG1-CZ 3.25Å; V232-F236 WeakPolarHBondContact O-CG 3.31Å; V232-F236 PolarHBondContact O-N 3.32Å; D233-F236 PolarHBondContact O-N 3.47Å; F236-Y238 VanDerWaalsContact C-N 3.33Å; F236-Y238 PolarHBondContact O-N 3.5Å; F236-I239 PolarHBondContact O-N 3.11Å; F236-L240 WeakPolarHBondContact O-CB 3.46Å; F236-L240 PolarHBondContact O-N 3.35Å; F236-L277 HydrophobicContact CD2-CD1 4.27Å; F236-L277 HydrophobicContact CE2-CD1 4.44Å; F236-L280 HydrophobicContact CB-CD2 3.91Å; F236-L280 HydrophobicContact CB-CG 4.13Å; F236-V281 HydrophobicContact CD2-CG2 4.03Å; F236-V281 HydrophobicContact CE2-CG2 4.01Å; F236-L284 HydrophobicContact CB-CD2 4.06Å; F236-L284 HydrophobicContact CD1-CD2 3.94Å; F236-L284 HydrophobicContact CG-CD2 4.08Å |
| 237 | S | 89.2 | Confident | 83.3 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 176 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | D233 K234 L235 R241 | D233-S237 WeakPolarHBondContact O-CB 3.4Å; D233-S237 PolarHBondContact O-N 3.31Å; D233-S237 PolarHBondContact O-OG 3.21Å; K234-S237 PolarHBondContact O-N 3.5Å; L235-S237 VanDerWaalsContact C-N 3.3Å; L235-S237 PolarHBondContact O-N 3.46Å; S237-R241 WeakPolarHBondContact O-CG 3.35Å; S237-R241 PolarHBondContact O-N 2.88Å |
| 238 | Y | 88 | Confident | 81.1 | Confident | 125 Ų | 125 | 61 Ų | 61 | 49% | 0.49 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 177.6 | 178.3 | -91 | 0 | 0 | 0 | 112.1 | K234 L235 F236 L240 R241 T242 L255 | K234-Y238 WeakPolarHBondContact O-CB 3.37Å; K234-Y238 PolarHBondContact O-N 2.72Å; L235-Y238 WeakPolarHBondContact O-CB 3.34Å; L235-Y238 PolarHBondContact O-N 2.87Å; L235-Y238 VanDerWaalsContact O-N 3.13Å; F236-Y238 VanDerWaalsContact C-N 3.33Å; F236-Y238 PolarHBondContact O-N 3.5Å; Y238-L240 VanDerWaalsContact C-N 3.34Å; Y238-L240 PolarHBondContact O-N 2.94Å; Y238-R241 PolarHBondContact O-N 3.42Å; Y238-T242 WeakPolarHBondContact O-CB 3.41Å; Y238-T242 PolarHBondContact O-N 3.46Å; Y238-T242 PolarHBondContact O-OG1 3.23Å; Y238-L255 HydrophobicContact CE2-CB 4.48Å; Y238-L255 HydrophobicContact CE2-CD1 3.91Å |
| 239 | I | 89.5 | Confident | 78.6 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 176.2 | -64.4 | 167.4 | 0 | 0 | 0 | 109.4 | L213 L235 F236 R241 T242 L243 L284 | L213-I239 HydrophobicContact CD1-CD1 3.8Å; L213-I239 HydrophobicContact CD2-CD1 4.3Å; L235-I239 HydrophobicContact CD1-CD1 4.12Å; L235-I239 HydrophobicContact CD1-CG1 4.32Å; L235-I239 HydrophobicContact CG-CD1 3.95Å; L235-I239 WeakPolarHBondContact O-CG1 3.5Å; L235-I239 PolarHBondContact O-N 3.39Å; F236-I239 PolarHBondContact O-N 3.11Å; I239-R241 PolarHBondContact O-N 3.16Å; I239-T242 PolarHBondContact O-N 2.68Å; I239-T242 VanDerWaalsContact O-N 3.13Å; I239-L243 HydrophobicContact CG2-CD1 3.93Å; I239-L243 HydrophobicContact CG2-CG 4.35Å; I239-L243 WeakPolarHBondContact O-CG 3.43Å; I239-L243 PolarHBondContact O-N 3.19Å; I239-L284 HydrophobicContact CB-CD1 4.15Å; I239-L284 HydrophobicContact CG2-CD1 3.67Å |
| 240 | L | 89.1 | Confident | 76.4 | Confident | 21 Ų | 21 | 68 Ų | 68 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.8 | -49.3 | 178.9 | -173.4 | 68.7 | 0 | 0 | 0 | 111.8 | F236 Y238 T242 L243 E244 L280 L284 K287 | F236-L240 WeakPolarHBondContact O-CB 3.46Å; F236-L240 PolarHBondContact O-N 3.35Å; Y238-L240 VanDerWaalsContact C-N 3.34Å; Y238-L240 PolarHBondContact O-N 2.94Å; L240-T242 VanDerWaalsContact C-N 3.32Å; L240-T242 PolarHBondContact O-N 3.37Å; L240-L243 PolarHBondContact O-N 3.17Å; L240-E244 WeakPolarHBondContact O-CG 3.42Å; L240-E244 PolarHBondContact O-N 2.88Å; L240-L280 HydrophobicContact CD2-CD1 4.04Å; L240-L284 HydrophobicContact CB-CD1 4.43Å; L240-K287 HydrophobicContact CD1-CB 4.28Å; L240-K287 HydrophobicContact CD1-CG 3.71Å |
| 241 | R | 87.5 | Confident | 74.4 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.2 | -76.8 | -179.8 | -180 | 176.5 | -0.3 | 112.7 | S237 Y238 I239 L243 E244 L245 | S237-R241 WeakPolarHBondContact O-CG 3.35Å; S237-R241 PolarHBondContact O-N 2.88Å; Y238-R241 PolarHBondContact O-N 3.42Å; I239-R241 PolarHBondContact O-N 3.16Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-E244 PolarHBondContact O-N 3.38Å; R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 VanDerWaalsContact O-CG 3.31Å; R241-L245 WeakPolarHBondContact O-CG 3.3Å; R241-L245 PolarHBondContact O-N 2.9Å |
| 242 | T | 86.8 | Confident | 72.1 | Confident | 64 Ų | 64 | 75 Ų | 75 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 111 | Y238 I239 L240 E244 L245 G246 | Y238-T242 WeakPolarHBondContact O-CB 3.41Å; Y238-T242 PolarHBondContact O-N 3.46Å; Y238-T242 PolarHBondContact O-OG1 3.23Å; I239-T242 PolarHBondContact O-N 2.68Å; I239-T242 VanDerWaalsContact O-N 3.13Å; L240-T242 VanDerWaalsContact C-N 3.32Å; L240-T242 PolarHBondContact O-N 3.37Å; T242-E244 VanDerWaalsContact C-N 3.31Å; T242-E244 PolarHBondContact O-N 2.93Å; T242-L245 PolarHBondContact O-N 2.92Å; T242-G246 PolarHBondContact O-N 3.21Å; T242-G246 VanDerWaalsContact O-N 3.08Å |
| 243 | L | 85.9 | Confident | 70 | Confident | 67 Ų | 67 | 83.8 Ų | 83.8 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.7 | -30.3 | 174.8 | -65.7 | 171.1 | 0 | 0 | 0 | 112.4 | I239 L240 R241 L284 K287 L288 | I239-L243 HydrophobicContact CG2-CD1 3.93Å; I239-L243 HydrophobicContact CG2-CG 4.35Å; I239-L243 WeakPolarHBondContact O-CG 3.43Å; I239-L243 PolarHBondContact O-N 3.19Å; L240-L243 PolarHBondContact O-N 3.17Å; R241-L243 VanDerWaalsContact C-N 3.33Å; L243-L284 HydrophobicContact CD1-CD1 4.22Å; L243-K287 HydrophobicContact CD1-CB 4.05Å; L243-L288 HydrophobicContact CD1-CD2 3.69Å; L243-L288 HydrophobicContact CD1-CG 4.11Å |
| 244 | E | 82.5 | Confident | 67.6 | Low | 93 Ų | 93 | 92.6 Ų | 92.6 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.6 | -43.6 | 174.1 | -70.8 | 170.9 | 167.6 | 0 | 0 | 112.4 | L240 R241 T242 G246 H247 | L240-E244 WeakPolarHBondContact O-CG 3.42Å; L240-E244 PolarHBondContact O-N 2.88Å; R241-E244 PolarHBondContact O-N 3.38Å; T242-E244 VanDerWaalsContact C-N 3.31Å; T242-E244 PolarHBondContact O-N 2.93Å; E244-G246 VanDerWaalsContact C-N 3.25Å; E244-G246 PolarHBondContact O-N 2.84Å; E244-H247 PolarHBondContact O-N 3.46Å |
| 245 | L | 65.8 | Low | 65.4 | Low | 71 Ų | 71 | 92.9 Ų | 92.9 | 37% | 0.372 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.5 | -20 | 179.3 | -70.7 | 166.9 | 0 | 0 | 0 | 112.9 | R241 T242 H247 S248 | R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 VanDerWaalsContact O-CG 3.31Å; R241-L245 WeakPolarHBondContact O-CG 3.3Å; R241-L245 PolarHBondContact O-N 2.9Å; T242-L245 PolarHBondContact O-N 2.92Å; L245-H247 PolarHBondContact O-N 3.36Å; L245-S248 CarbonylContact O-C 3.42Å; L245-S248 PolarHBondContact O-N 2.88Å |
| 246 | G | 57.1 | Low | 63 | Low | 65 Ų | 65 | 96.3 Ų | 96.3 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | T242 E244 | T242-G246 PolarHBondContact O-N 3.21Å; T242-G246 VanDerWaalsContact O-N 3.08Å; E244-G246 VanDerWaalsContact C-N 3.25Å; E244-G246 PolarHBondContact O-N 2.84Å |
| 247 | H | 51.5 | Low | 60.6 | Low | 178 Ų | 178 | 99.2 Ų | 99.2 | 82% | 0.824 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -3.1 | 171.1 | -71.2 | -50.3 | 0 | 0 | 0 | 114.8 | E244 L245 | E244-H247 PolarHBondContact O-N 3.46Å; L245-H247 PolarHBondContact O-N 3.36Å |
| 248 | S | 42.5 | Very low | 58.5 | Low | 75 Ų | 75 | 100.1 Ų | 100.1 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | trans | -147.1 | 76.8 | 178.8 | 45.6 | 0 | 0 | 0 | 0 | 110.2 | L245 E250 | L245-S248 CarbonylContact O-C 3.42Å; L245-S248 PolarHBondContact O-N 2.88Å; S248-E250 PolarHBondContact O-N 3.44Å | ||
| 249 | S | 34.5 | Very low | 56.7 | Low | 113 Ų | 113 | 101.9 Ų | 101.9 | 79% | 0.79 | 54% | 0.543 | S | S | * | . | trans | -61.6 | 98.5 | 166 | 160.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 250 | E | 39.8 | Very low | 54.8 | Low | 183 Ų | 183 | 107.5 Ų | 107.5 | 86% | 0.855 | 57% | 0.573 | S | S | * | * | trans | 171.2 | 78.4 | 147 | -95.8 | 169 | -157.6 | 0 | 0 | 110.4 | S248 | S248-E250 PolarHBondContact O-N 3.44Š| ||
| 251 | S | 40.3 | Very low | 53 | Low | 85 Ų | 85 | 108.7 Ų | 108.7 | 59% | 0.594 | 58% | 0.58 | S | S | * | * | trans | -177.3 | 82.8 | 146.7 | 43.4 | 0 | 0 | 0 | 0 | 111.8 | K253 | S251-K253 PolarHBondContact O-N 2.9Š| ||
| 252 | N | 36.2 | Very low | 51.3 | Low | 180 Ų | 180 | 107.4 Ų | 107.4 | 96% | 0.963 | 58% | 0.584 | S | S | * | * | trans | -73 | 69.2 | 160 | -77.2 | -25.7 | 0 | 0 | 0 | 110.1 | ||||
| 253 | K | 46 | Very low | 50 | Low | 185 Ų | 185 | 106.4 Ų | 106.4 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | trans | -106.9 | 117.7 | 161.5 | -76.9 | -172.1 | 176.9 | -178.7 | 0 | 107.9 | S251 L255 | S251-K253 PolarHBondContact O-N 2.9Å; K253-L255 PolarHBondContact O-N 2.9Å | ||
| 254 | E | 39 | Very low | 48.8 | Very low | 196 Ų | 196 | 103.4 Ų | 103.4 | 92% | 0.916 | 56% | 0.562 | S | S | * | * | trans | -5 | 101.3 | 171.3 | -74.8 | 167.9 | 137.4 | 0 | 0 | 114.3 | D256 | E254-D256 VanDerWaalsContact C-N 3.27Å; E254-D256 PolarHBondContact O-N 3.39Å | ||
| 255 | L | 40.6 | Very low | 47.6 | Very low | 78 Ų | 78 | 102 Ų | 102 | 41% | 0.408 | 56% | 0.562 | S | S | . | * | trans | -70.5 | 84.2 | 174.2 | -87.3 | 147.2 | 0 | 0 | 0 | 109.3 | Y238 K253 P257 | Y238-L255 HydrophobicContact CE2-CB 4.48Å; Y238-L255 HydrophobicContact CE2-CD1 3.91Å; K253-L255 PolarHBondContact O-N 2.9Å; L255-P257 VanDerWaalsContact O-CD 3.3Å; L255-P257 WeakPolarHBondContact O-CD 3.31Å | ||
| 256 | D | 39.7 | Very low | 47.4 | Very low | 102 Ų | 102 | 105.4 Ų | 105.4 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | trans | -64 | 114.9 | 164.1 | -128.1 | 0 | 0 | 0 | 0 | 106.6 | E254 K259 | E254-D256 VanDerWaalsContact C-N 3.27Å; E254-D256 PolarHBondContact O-N 3.39Å; D256-K259 WeakPolarHBondContact OD2-CE 3.33Å; D256-K259 IonicContact OD2-NZ 3.06Å; D256-K259 PolarHBondContact OD2-NZ 3.44Å | ||
| 257 | P | 41.1 | Very low | 48.1 | Very low | 60 Ų | 60 | 102.7 Ų | 102.7 | 39% | 0.39 | 55% | 0.551 | S | S | . | * | trans | -59 | 148.5 | 176 | 24.5 | -31.7 | 0 | 0 | 0 | 108.8 | K234 L255 K259 | K234-P257 HydrophobicContact CD-CB 4.25Å; K234-P257 HydrophobicContact CG-CB 4.47Å; L255-P257 VanDerWaalsContact O-CD 3.3Å; L255-P257 WeakPolarHBondContact O-CD 3.31Å; P257-K259 PolarHBondContact O-N 2.76Å | ||
| 258 | P | 45.8 | Very low | 49.2 | Very low | 38 Ų | 38 | 100.5 Ų | 100.5 | 25% | 0.247 | 55% | 0.552 | C | S | . | * | trans | -50.4 | 116.7 | 178 | 20.3 | -30.5 | 0 | 0 | 0 | 108.9 | N260 | P258-N260 PolarHBondContact O-N 2.8Š| ||
| 259 | K | 49.2 | Very low | 51.2 | Low | 162 Ų | 162 | 100 Ų | 100 | 70% | 0.704 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -61.2 | -17.4 | -166.1 | -92 | 176.4 | 178.4 | 158.1 | 0 | 113.8 | D256 P257 | D256-K259 WeakPolarHBondContact OD2-CE 3.33Å; D256-K259 IonicContact OD2-NZ 3.06Å; D256-K259 PolarHBondContact OD2-NZ 3.44Å; P257-K259 PolarHBondContact O-N 2.76Å |
| 260 | N | 50.3 | Low | 53.7 | Low | 147 Ų | 147 | 94.8 Ų | 94.8 | 79% | 0.786 | 51% | 0.507 | S | S | * | . | trans | -138 | 84 | -179.1 | -73.5 | -22.7 | 0 | 0 | 0 | 110.8 | P258 P262 | P258-N260 PolarHBondContact O-N 2.8Å; N260-P262 VanDerWaalsContact O-CD 3.31Å; N260-P262 WeakPolarHBondContact O-CD 3.39Å | ||
| 261 | N | 51.4 | Low | 55.9 | Low | 45 Ų | 45 | 89 Ų | 89 | 24% | 0.241 | 48% | 0.48 | C | S | . | . | trans | -85 | 108.5 | 152.7 | -80.7 | 2.6 | 0 | 0 | 0 | 106.4 | V263 | N261-V263 PolarHBondContact O-N 3.35Š| ||
| 262 | P | 52.4 | Low | 58 | Low | 68 Ų | 68 | 89.8 Ų | 89.8 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | trans | -59.5 | 126.1 | -179.4 | 23.5 | -32.4 | 0 | 0 | 0 | 109.1 | N260 V264 C267 C273 | N260-P262 VanDerWaalsContact O-CD 3.31Å; N260-P262 WeakPolarHBondContact O-CD 3.39Å; P262-V264 PolarHBondContact O-N 3.14Å; P262-C267 HydrophobicContact CB-CB 4.46Å; P262-C273 WeakPolarHBondContact CG-SG 3.36Å | ||
| 263 | V | 59 | Low | 60.4 | Low | 44 Ų | 44 | 81.6 Ų | 81.6 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | trans | -63.6 | 126.6 | 172.5 | -165.8 | 0 | 0 | 0 | 0 | 106.9 | P230 N261 S265 L266 C267 | P230-V263 HydrophobicContact CB-CG1 4.26Å; P230-V263 HydrophobicContact CB-CG2 4.1Å; P230-V263 HydrophobicContact CG-CB 4.42Å; P230-V263 HydrophobicContact CG-CG1 4.02Å; P230-V263 HydrophobicContact CG-CG2 3.76Å; N261-V263 PolarHBondContact O-N 3.35Å; V263-S265 WeakPolarHBondContact CG1-OG 3.35Å; V263-S265 PolarHBondContact O-N 2.83Å; V263-L266 HydrophobicContact CB-CB 4.47Å; V263-L266 HydrophobicContact CB-CD1 4.39Å; V263-L266 HydrophobicContact CB-CG 4.44Å; V263-L266 HydrophobicContact CG2-CD1 4.42Å; V263-L266 PolarHBondContact O-N 3.31Å; V263-C267 PolarHBondContact O-N 3.5Å; V263-C267 VanDerWaalsContact O-N 3.16Å | ||
| 264 | V | 59.4 | Low | 62.5 | Low | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -52 | -31.1 | -179.3 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | H195 A198 P262 L266 P270 C273 | H195-V264 PolarHBondContact ND1-O 2.69Å; A198-V264 HydrophobicContact CB-CG1 3.82Å; P262-V264 PolarHBondContact O-N 3.14Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-L266 PolarHBondContact O-N 2.78Å; V264-P270 HydrophobicContact CG1-CB 4.2Å; V264-C273 HydrophobicContact CG2-CB 4.11Å |
| 265 | S | 57.7 | Low | 65 | Low | 63 Ų | 63 | 65.4 Ų | 65.4 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -71.2 | -18.6 | 176.8 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | V263 | V263-S265 WeakPolarHBondContact CG1-OG 3.35Å; V263-S265 PolarHBondContact O-N 2.83Å |
| 266 | L | 62.2 | Low | 67.2 | Low | 143 Ų | 143 | 65.4 Ų | 65.4 | 75% | 0.749 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -115.6 | 3.7 | -178.2 | -60.6 | 175.5 | 0 | 0 | 0 | 112.7 | V263 V264 | V263-L266 HydrophobicContact CB-CB 4.47Å; V263-L266 HydrophobicContact CB-CD1 4.39Å; V263-L266 HydrophobicContact CB-CG 4.44Å; V263-L266 HydrophobicContact CG2-CD1 4.42Å; V263-L266 PolarHBondContact O-N 3.31Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-L266 PolarHBondContact O-N 2.78Å |
| 267 | C | 71.7 | Confident | 69.7 | Low | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | trans | -85.5 | 127 | -174.9 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | H195 P262 V263 D269 C273 | H195-C267 PolarHBondContact CE1-O 3.19Å; P262-C267 HydrophobicContact CB-CB 4.46Å; V263-C267 PolarHBondContact O-N 3.5Å; V263-C267 VanDerWaalsContact O-N 3.16Å; C267-D269 PolarHBondContact O-N 3.05Å; C267-D269 VanDerWaalsContact O-N 3.08Å; C267-D269 PolarHBondContact SG-O 3Å; C267-C273 HydrophobicContact CB-CB 3.87Å; C267-C273 WeakPolarHBondContact CB-SG 3.35Å; C267-C273 WeakPolarHBondContact SG-CB 3.43Å; C267-C273 CovalentContact SG-SG 2.05Å; C267-C273 PolarHBondContact SG-SG 3.4Å | ||
| 268 | P | 74.5 | Confident | 72.2 | Confident | 132 Ų | 132 | 59.3 Ų | 59.3 | 86% | 0.857 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -60.7 | -22.5 | 179.7 | 24.8 | -34.1 | 0 | 0 | 0 | 113.1 | ||
| 269 | D | 84.3 | Confident | 74.4 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | trans | -125.7 | 92 | 170.5 | -172.8 | -0.6 | 0 | 0 | 0 | 111.1 | R194 C267 E271 H272 C273 | R194-D269 IonicContact NH2-OD1 2.98Å; C267-D269 PolarHBondContact O-N 3.05Å; C267-D269 VanDerWaalsContact O-N 3.08Å; C267-D269 PolarHBondContact SG-O 3Å; D269-E271 PolarHBondContact O-N 2.91Å; D269-E271 PolarHBondContact OD1-N 2.99Å; D269-H272 HydrophobicContact CB-CB 3.9Å; D269-H272 PolarHBondContact O-N 2.85Å; D269-H272 PolarHBondContact OD1-N 3.39Å; D269-H272 WeakPolarHBondContact OD2-CB 3.33Å; D269-C273 PolarHBondContact O-N 3.35Å | ||
| 270 | P | 86.5 | Confident | 76.4 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.013 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -26.5 | -177 | 24.8 | -34 | 0 | 0 | 0 | 113.2 | R194 A198 V264 L274 | R194-P270 HydrophobicContact CB-CG 4.21Å; A198-P270 HydrophobicContact CB-CB 3.66Å; V264-P270 HydrophobicContact CG1-CB 4.2Å; P270-L274 WeakPolarHBondContact O-CB 3.46Å; P270-L274 PolarHBondContact O-N 2.74Å |
| 271 | E | 85.7 | Confident | 78.4 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 29% | 0.29 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -74 | -38.3 | 177.7 | -69.5 | -64 | 156.5 | 0 | 0 | 111.7 | D269 L274 S275 | D269-E271 PolarHBondContact O-N 2.91Å; D269-E271 PolarHBondContact OD1-N 2.99Å; E271-L274 PolarHBondContact O-N 2.72Å; E271-S275 WeakPolarHBondContact O-CB 2.98Å; E271-S275 PolarHBondContact O-N 3.48Å |
| 272 | H | 85.8 | Confident | 80.4 | Confident | 101 Ų | 101 | 48.2 Ų | 48.2 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 172.4 | 178.5 | 71.4 | 0 | 0 | 0 | 111.1 | D269 L274 S275 N276 | D269-H272 HydrophobicContact CB-CB 3.9Å; D269-H272 PolarHBondContact O-N 2.85Å; D269-H272 PolarHBondContact OD1-N 3.39Å; D269-H272 WeakPolarHBondContact OD2-CB 3.33Å; H272-L274 PolarHBondContact O-N 2.92Å; H272-S275 WeakPolarHBondContact O-CB 3.26Å; H272-S275 PolarHBondContact O-N 2.9Å; H272-N276 PolarHBondContact CD2-ND2 2.92Å; H272-N276 PolarHBondContact NE2-ND2 3.39Å; H272-N276 PolarHBondContact O-N 2.85Å |
| 273 | C | 86.6 | Confident | 82.2 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177.3 | -81.6 | 0 | 0 | 0 | 0 | 112.3 | P262 V264 C267 D269 N276 L277 | P262-C273 WeakPolarHBondContact CG-SG 3.36Å; V264-C273 HydrophobicContact CG2-CB 4.11Å; C267-C273 HydrophobicContact CB-CB 3.87Å; C267-C273 WeakPolarHBondContact CB-SG 3.35Å; C267-C273 WeakPolarHBondContact SG-CB 3.43Å; C267-C273 CovalentContact SG-SG 2.05Å; C267-C273 PolarHBondContact SG-SG 3.4Å; D269-C273 PolarHBondContact O-N 3.35Å; C273-N276 PolarHBondContact O-N 3.35Å; C273-L277 PolarHBondContact O-N 2.91Å |
| 274 | L | 90.5 | Very high | 83.8 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 173.8 | -178.8 | 61.3 | 0 | 0 | 0 | 112.6 | A198 A201 P270 E271 H272 L277 R278 | A198-L274 HydrophobicContact CB-CD2 4.34Å; A201-L274 HydrophobicContact CB-CD1 4.14Å; A201-L274 HydrophobicContact CB-CD2 3.71Å; P270-L274 WeakPolarHBondContact O-CB 3.46Å; P270-L274 PolarHBondContact O-N 2.74Å; E271-L274 PolarHBondContact O-N 2.72Å; H272-L274 PolarHBondContact O-N 2.92Å; L274-L277 PolarHBondContact O-N 3.2Å; L274-R278 VanDerWaalsContact CD2-NH2 3.33Å; L274-R278 WeakPolarHBondContact O-CG 3.44Å; L274-R278 PolarHBondContact O-N 3.33Å |
| 275 | S | 89.8 | Confident | 85.3 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 27% | 0.266 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.7 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | E271 H272 L277 R278 H279 | E271-S275 WeakPolarHBondContact O-CB 2.98Å; E271-S275 PolarHBondContact O-N 3.48Å; H272-S275 WeakPolarHBondContact O-CB 3.26Å; H272-S275 PolarHBondContact O-N 2.9Å; S275-L277 VanDerWaalsContact C-N 3.3Å; S275-L277 PolarHBondContact O-N 3.1Å; S275-R278 WeakPolarHBondContact O-CB 3.39Å; S275-R278 PolarHBondContact O-N 2.95Å; S275-R278 VanDerWaalsContact O-N 3.12Å; S275-H279 PolarHBondContact O-N 2.76Å; S275-H279 PolarHBondContact O-ND1 3.44Å; S275-H279 PolarHBondContact OG-CE1 2.93Å |
| 276 | N | 88.6 | Confident | 86.8 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 177.3 | -67.6 | -20.4 | 0 | 0 | 0 | 112 | H272 C273 H279 L280 | H272-N276 PolarHBondContact CD2-ND2 2.92Å; H272-N276 PolarHBondContact NE2-ND2 3.39Å; H272-N276 PolarHBondContact O-N 2.85Å; C273-N276 PolarHBondContact O-N 3.35Å; N276-H279 PolarHBondContact O-N 2.96Å; N276-L280 WeakPolarHBondContact O-CB 3.28Å; N276-L280 PolarHBondContact O-N 2.98Å |
| 277 | L | 91.6 | Very high | 88.1 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.8 | 179.3 | 60.1 | 0 | 0 | 0 | 112.1 | S202 L205 R206 D233 F236 C273 L274 S275 H279 L280 V281 | S202-L277 WeakPolarHBondContact OG-CD2 3.5Å; L205-L277 HydrophobicContact CD2-CD2 4.23Å; L205-L277 HydrophobicContact CD2-CG 3.95Å; R206-L277 HydrophobicContact CG-CD2 4.16Å; D233-L277 VanDerWaalsContact OD1-CD1 3.28Å; D233-L277 WeakPolarHBondContact OD1-CD1 3.27Å; F236-L277 HydrophobicContact CD2-CD1 4.27Å; F236-L277 HydrophobicContact CE2-CD1 4.44Å; C273-L277 PolarHBondContact O-N 2.91Å; L274-L277 PolarHBondContact O-N 3.2Å; S275-L277 VanDerWaalsContact C-N 3.3Å; S275-L277 PolarHBondContact O-N 3.1Å; L277-H279 VanDerWaalsContact C-N 3.31Å; L277-H279 PolarHBondContact O-N 2.91Å; L277-L280 PolarHBondContact O-N 3.4Å; L277-V281 HydrophobicContact CD1-CG2 4.06Å; L277-V281 HydrophobicContact CG-CG2 4.45Å; L277-V281 WeakPolarHBondContact O-CG2 3.36Å; L277-V281 PolarHBondContact O-N 3.07Å |
| 278 | R | 93.5 | Very high | 89 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 11% | 0.109 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -43.1 | 175.3 | -72.3 | 172.8 | 175.7 | 129.8 | 0.6 | 111.9 | L205 L274 S275 L282 S300 L304 | L205-R278 HydrophobicContact CD2-CB 4.48Å; L205-R278 HydrophobicContact CD2-CG 3.83Å; L274-R278 VanDerWaalsContact CD2-NH2 3.33Å; L274-R278 WeakPolarHBondContact O-CG 3.44Å; L274-R278 PolarHBondContact O-N 3.33Å; S275-R278 WeakPolarHBondContact O-CB 3.39Å; S275-R278 PolarHBondContact O-N 2.95Å; S275-R278 VanDerWaalsContact O-N 3.12Å; R278-L282 VanDerWaalsContact O-CB 3.31Å; R278-L282 WeakPolarHBondContact O-CB 2.98Å; R278-L282 PolarHBondContact O-N 2.85Å; R278-S300 WeakPolarHBondContact CD-O 3.32Å; R278-S300 PolarHBondContact NE-O 2.76Å; R278-L304 HydrophobicContact CB-CD2 3.91Å; R278-L304 HydrophobicContact CG-CD2 3.98Å |
| 279 | H | 91.1 | Very high | 89.6 | Confident | 103 Ų | 103 | 41.8 Ų | 41.8 | 48% | 0.477 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 176.4 | -71.8 | 86.4 | 0 | 0 | 0 | 111.5 | S275 N276 L277 V281 L282 S283 | S275-H279 PolarHBondContact O-N 2.76Å; S275-H279 PolarHBondContact O-ND1 3.44Å; S275-H279 PolarHBondContact OG-CE1 2.93Å; N276-H279 PolarHBondContact O-N 2.96Å; L277-H279 VanDerWaalsContact C-N 3.31Å; L277-H279 PolarHBondContact O-N 2.91Å; H279-V281 VanDerWaalsContact C-N 3.35Å; H279-V281 PolarHBondContact O-N 2.88Å; H279-L282 PolarHBondContact O-N 3.33Å; H279-S283 PolarHBondContact O-N 3.1Å; H279-S283 PolarHBondContact O-OG 2.97Å |
| 280 | L | 91.4 | Very high | 89.6 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 177.3 | 177.6 | 63 | 0 | 0 | 0 | 111.8 | D233 F236 L240 N276 L277 S283 L284 | D233-L280 HydrophobicContact CB-CD2 4.39Å; F236-L280 HydrophobicContact CB-CD2 3.91Å; F236-L280 HydrophobicContact CB-CG 4.13Å; L240-L280 HydrophobicContact CD2-CD1 4.04Å; N276-L280 WeakPolarHBondContact O-CB 3.28Å; N276-L280 PolarHBondContact O-N 2.98Å; L277-L280 PolarHBondContact O-N 3.4Å; L280-S283 PolarHBondContact O-N 3.37Å; L280-L284 WeakPolarHBondContact O-CB 3.31Å; L280-L284 PolarHBondContact O-N 3.11Å |
| 281 | V | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 178.1 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L205 T209 F236 L277 H279 S283 L284 L285 L304 I308 | L205-V281 HydrophobicContact CD1-CG1 4.05Å; L205-V281 HydrophobicContact CD1-CG2 4.5Å; L205-V281 HydrophobicContact CD2-CG2 4.21Å; L205-V281 HydrophobicContact CG-CG2 4.11Å; T209-V281 HydrophobicContact CG2-CG1 4.17Å; T209-V281 HydrophobicContact CG2-CG2 4.39Å; T209-V281 VanDerWaalsContact OG1-CG1 3.32Å; T209-V281 WeakPolarHBondContact OG1-CG1 3.29Å; F236-V281 HydrophobicContact CD2-CG2 4.03Å; F236-V281 HydrophobicContact CE2-CG2 4.01Å; L277-V281 HydrophobicContact CD1-CG2 4.06Å; L277-V281 HydrophobicContact CG-CG2 4.45Å; L277-V281 WeakPolarHBondContact O-CG2 3.36Å; L277-V281 PolarHBondContact O-N 3.07Å; H279-V281 VanDerWaalsContact C-N 3.35Å; H279-V281 PolarHBondContact O-N 2.88Å; V281-S283 PolarHBondContact O-N 3.1Å; V281-L284 WeakPolarHBondContact O-CB 3.39Å; V281-L284 PolarHBondContact O-N 2.88Å; V281-L285 HydrophobicContact CG1-CD1 4.08Å; V281-L285 HydrophobicContact CG1-CG 4.29Å; V281-L285 VanDerWaalsContact O-CG 3.3Å; V281-L285 WeakPolarHBondContact O-CG 3.3Å; V281-L285 PolarHBondContact O-N 3.33Å; V281-L304 HydrophobicContact CB-CD2 4.33Å; V281-L304 HydrophobicContact CG1-CD1 4.43Å; V281-L304 HydrophobicContact CG1-CD2 4.22Å; V281-I308 HydrophobicContact CG1-CD1 3.87Å |
| 282 | L | 92.6 | Very high | 89.5 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | 177.7 | -171.6 | 65.9 | 0 | 0 | 0 | 112 | R278 H279 L284 L285 Q286 L294 F298 L304 | R278-L282 VanDerWaalsContact O-CB 3.31Å; R278-L282 WeakPolarHBondContact O-CB 2.98Å; R278-L282 PolarHBondContact O-N 2.85Å; H279-L282 PolarHBondContact O-N 3.33Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.33Å; L282-L285 PolarHBondContact O-N 3.41Å; L282-Q286 WeakPolarHBondContact O-CG 3.06Å; L282-Q286 PolarHBondContact O-N 3.49Å; L282-L294 HydrophobicContact CD1-CD1 3.88Å; L282-L294 HydrophobicContact CD1-CD2 4.26Å; L282-L294 HydrophobicContact CD2-CD1 4.18Å; L282-L294 HydrophobicContact CG-CD1 4.36Å; L282-F298 HydrophobicContact CD1-CE1 3.74Å; L282-F298 HydrophobicContact CD1-CZ 4.02Å; L282-F298 HydrophobicContact CD2-CE1 4.07Å; L282-L304 HydrophobicContact CB-CD1 4.46Å; L282-L304 HydrophobicContact CD1-CD1 3.98Å |
| 283 | S | 90.4 | Very high | 89.5 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 175 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | H279 L280 V281 Q286 K287 | H279-S283 PolarHBondContact O-N 3.1Å; H279-S283 PolarHBondContact O-OG 2.97Å; L280-S283 PolarHBondContact O-N 3.37Å; V281-S283 PolarHBondContact O-N 3.1Å; S283-Q286 PolarHBondContact O-N 3.32Å; S283-K287 WeakPolarHBondContact O-CG 3.36Å; S283-K287 PolarHBondContact O-N 3.32Å; S283-K287 VanDerWaalsContact O-N 3.17Å |
| 284 | L | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.2 | -178.4 | 62.8 | 0 | 0 | 0 | 111.6 | T209 F236 I239 L240 L243 L280 V281 L282 Q286 K287 L288 | T209-L284 HydrophobicContact CG2-CD2 4.09Å; F236-L284 HydrophobicContact CB-CD2 4.06Å; F236-L284 HydrophobicContact CD1-CD2 3.94Å; F236-L284 HydrophobicContact CG-CD2 4.08Å; I239-L284 HydrophobicContact CB-CD1 4.15Å; I239-L284 HydrophobicContact CG2-CD1 3.67Å; L240-L284 HydrophobicContact CB-CD1 4.43Å; L243-L284 HydrophobicContact CD1-CD1 4.22Å; L280-L284 WeakPolarHBondContact O-CB 3.31Å; L280-L284 PolarHBondContact O-N 3.11Å; V281-L284 WeakPolarHBondContact O-CB 3.39Å; V281-L284 PolarHBondContact O-N 2.88Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.33Å; L284-Q286 PolarHBondContact O-N 2.71Å; L284-K287 PolarHBondContact O-N 3.41Å; L284-L288 HydrophobicContact CD1-CD1 3.88Å; L284-L288 HydrophobicContact CD1-CG 4.14Å; L284-L288 HydrophobicContact CD2-CD1 4.43Å; L284-L288 HydrophobicContact CG-CD1 3.76Å; L284-L288 HydrophobicContact CG-CG 4.4Å; L284-L288 WeakPolarHBondContact O-CB 3.48Å; L284-L288 WeakPolarHBondContact O-CG 3.21Å; L284-L288 PolarHBondContact O-N 2.93Å |
| 285 | L | 91.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 177.3 | -70.7 | 173.4 | 0 | 0 | 0 | 112.2 | L212 V281 L282 K287 L288 L289 L292 L304 I308 | L212-L285 HydrophobicContact CD2-CD2 3.19Å; V281-L285 HydrophobicContact CG1-CD1 4.08Å; V281-L285 HydrophobicContact CG1-CG 4.29Å; V281-L285 VanDerWaalsContact O-CG 3.3Å; V281-L285 WeakPolarHBondContact O-CG 3.3Å; V281-L285 PolarHBondContact O-N 3.33Å; L282-L285 PolarHBondContact O-N 3.41Å; L285-K287 PolarHBondContact O-N 3.12Å; L285-L288 PolarHBondContact O-N 3.09Å; L285-L289 WeakPolarHBondContact O-CB 3.43Å; L285-L289 PolarHBondContact O-N 2.68Å; L285-L292 HydrophobicContact CB-CD2 4.28Å; L285-L304 HydrophobicContact CD1-CD1 3.75Å; L285-I308 HydrophobicContact CD1-CD1 4.24Å; L285-I308 HydrophobicContact CD1-CG1 3.66Å; L285-I308 HydrophobicContact CD2-CG1 4.25Å |
| 286 | Q | 89.9 | Confident | 89.1 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -30.9 | 178.5 | -74.3 | 177.2 | -25.2 | 0 | 0 | 112.9 | L282 S283 L284 | L282-Q286 WeakPolarHBondContact O-CG 3.06Å; L282-Q286 PolarHBondContact O-N 3.49Å; S283-Q286 PolarHBondContact O-N 3.32Å; L284-Q286 PolarHBondContact O-N 2.71Å |
| 287 | K | 89.6 | Confident | 89.1 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 47% | 0.47 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -77.9 | -40.9 | 175.5 | -71 | -66.5 | -171.9 | 175.7 | 0 | 112.7 | L240 L243 S283 L284 L285 | L240-K287 HydrophobicContact CD1-CB 4.28Å; L240-K287 HydrophobicContact CD1-CG 3.71Å; L243-K287 HydrophobicContact CD1-CB 4.05Å; S283-K287 WeakPolarHBondContact O-CG 3.36Å; S283-K287 PolarHBondContact O-N 3.32Å; S283-K287 VanDerWaalsContact O-N 3.17Å; L284-K287 PolarHBondContact O-N 3.41Å; L285-K287 PolarHBondContact O-N 3.12Å |
| 288 | L | 88.7 | Confident | 89 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.1 | -33.4 | 179.2 | -69.7 | 172.2 | 0 | 0 | 0 | 112.6 | L213 L216 L243 L284 L285 P290 | L213-L288 HydrophobicContact CD2-CD1 3.53Å; L216-L288 HydrophobicContact CD1-CB 4.12Å; L216-L288 HydrophobicContact CD1-CD1 4.22Å; L243-L288 HydrophobicContact CD1-CD2 3.69Å; L243-L288 HydrophobicContact CD1-CG 4.11Å; L284-L288 HydrophobicContact CD1-CD1 3.88Å; L284-L288 HydrophobicContact CD1-CG 4.14Å; L284-L288 HydrophobicContact CD2-CD1 4.43Å; L284-L288 HydrophobicContact CG-CD1 3.76Å; L284-L288 HydrophobicContact CG-CG 4.4Å; L284-L288 WeakPolarHBondContact O-CB 3.48Å; L284-L288 WeakPolarHBondContact O-CG 3.21Å; L284-L288 PolarHBondContact O-N 2.93Å; L285-L288 PolarHBondContact O-N 3.09Å; L288-P290 VanDerWaalsContact C-CD 3.49Å; L288-P290 WeakPolarHBondContact O-CD 3.2Å |
| 289 | L | 88 | Confident | 88.9 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | trans | -121.5 | 74.6 | -177.8 | -59.1 | 174.4 | 0 | 0 | 0 | 109.2 | L216 L285 Q291 L292 A311 | L216-L289 HydrophobicContact CD1-CD2 4.4Å; L216-L289 HydrophobicContact CD2-CD2 4.13Å; L285-L289 WeakPolarHBondContact O-CB 3.43Å; L285-L289 PolarHBondContact O-N 2.68Å; L289-Q291 PolarHBondContact O-N 2.8Å; L289-L292 HydrophobicContact CB-CB 3.98Å; L289-L292 WeakPolarHBondContact O-CB 3.31Å; L289-L292 PolarHBondContact O-N 3.17Å; L289-A311 HydrophobicContact CD1-CB 3.92Å | ||
| 290 | P | 83.2 | Confident | 88.8 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 73% | 0.734 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.9 | -174.8 | 24 | -34.1 | 0 | 0 | 0 | 114 | L288 L292 | L288-P290 VanDerWaalsContact C-CD 3.49Å; L288-P290 WeakPolarHBondContact O-CD 3.2Å; P290-L292 VanDerWaalsContact C-N 3.3Å |
| 291 | Q | 84.2 | Confident | 88.7 | Confident | 180 Ų | 180 | 72.2 Ų | 72.2 | 84% | 0.841 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.9 | 175 | -59.1 | -177.4 | 10.4 | 0 | 0 | 113.1 | L289 V293 | L289-Q291 PolarHBondContact O-N 2.8Å; Q291-V293 PolarHBondContact O-N 3.22Å |
| 292 | L | 86.6 | Confident | 88.5 | Confident | 47 Ų | 47 | 77 Ų | 77 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | trans | -73 | 110 | -177 | -178.6 | 68 | 0 | 0 | 0 | 111.2 | L285 L289 P290 L294 L307 | L285-L292 HydrophobicContact CB-CD2 4.28Å; L289-L292 HydrophobicContact CB-CB 3.98Å; L289-L292 WeakPolarHBondContact O-CB 3.31Å; L289-L292 PolarHBondContact O-N 3.17Å; P290-L292 VanDerWaalsContact C-N 3.3Å; L292-L294 HydrophobicContact CD2-CD2 4.31Å; L292-L294 HydrophobicContact CG-CD2 4.35Å; L292-L307 HydrophobicContact CD1-CD1 3.89Å; L292-L307 HydrophobicContact CD2-CD2 4.26Å | ||
| 293 | V | 86.2 | Confident | 88.5 | Confident | 129 Ų | 129 | 78.6 Ų | 78.6 | 78% | 0.782 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 119.3 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | Q291 | Q291-V293 PolarHBondContact O-N 3.22Š|
| 294 | L | 88.7 | Confident | 88.6 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 138.1 | 178.1 | -58.5 | 175.5 | 0 | 0 | 0 | 111 | L282 L292 F298 L307 | L282-L294 HydrophobicContact CD1-CD1 3.88Å; L282-L294 HydrophobicContact CD1-CD2 4.26Å; L282-L294 HydrophobicContact CD2-CD1 4.18Å; L282-L294 HydrophobicContact CG-CD1 4.36Å; L292-L294 HydrophobicContact CD2-CD2 4.31Å; L292-L294 HydrophobicContact CG-CD2 4.35Å; L294-F298 HydrophobicContact CB-CB 4.29Å; L294-F298 HydrophobicContact CB-CG 4.42Å; L294-F298 HydrophobicContact CD1-CD1 4.15Å; L294-F298 HydrophobicContact CD1-CE1 4.43Å; L294-F298 HydrophobicContact CD2-CD1 4.44Å; L294-F298 HydrophobicContact CD2-CD2 4.24Å; L294-F298 HydrophobicContact CD2-CE1 4.47Å; L294-F298 HydrophobicContact CD2-CE2 4.28Å; L294-F298 HydrophobicContact CD2-CG 4.32Å; L294-F298 HydrophobicContact CD2-CZ 4.39Å; L294-L307 HydrophobicContact CD2-CD2 3.73Å |
| 295 | P | 88.1 | Confident | 88.7 | Confident | 88 Ų | 88 | 78.4 Ų | 78.4 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 154.5 | 177 | 27.6 | -33.6 | 0 | 0 | 0 | 111.7 | G297 F298 | P295-G297 PolarHBondContact O-N 3.18Å; P295-F298 HydrophobicContact CG-CB 4.1Å; P295-F298 WeakPolarHBondContact O-CB 3.4Å; P295-F298 PolarHBondContact O-N 3.27Å |
| 296 | K | 82.1 | Confident | 88.7 | Confident | 233 Ų | 233 | 81.4 Ų | 81.4 | 100% | 1.013 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -1 | -177.6 | -71.2 | -174 | 177.3 | -179.3 | 0 | 115.7 | ||
| 297 | G | 88.2 | Confident | 88.8 | Confident | 66 Ų | 66 | 78.9 Ų | 78.9 | 68% | 0.68 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 17.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P295 N299 | P295-G297 PolarHBondContact O-N 3.18Å; G297-N299 PolarHBondContact O-N 3.48Å |
| 298 | F | 89.6 | Confident | 88.9 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 19% | 0.189 | 41% | 0.407 | C | S | . | . | trans | -59.5 | 121.4 | -177.9 | -177.9 | -99.9 | 0 | 0 | 0 | 111.6 | L282 L294 P295 D303 L304 L307 | L282-F298 HydrophobicContact CD1-CE1 3.74Å; L282-F298 HydrophobicContact CD1-CZ 4.02Å; L282-F298 HydrophobicContact CD2-CE1 4.07Å; L294-F298 HydrophobicContact CB-CB 4.29Å; L294-F298 HydrophobicContact CB-CG 4.42Å; L294-F298 HydrophobicContact CD1-CD1 4.15Å; L294-F298 HydrophobicContact CD1-CE1 4.43Å; L294-F298 HydrophobicContact CD2-CD1 4.44Å; L294-F298 HydrophobicContact CD2-CD2 4.24Å; L294-F298 HydrophobicContact CD2-CE1 4.47Å; L294-F298 HydrophobicContact CD2-CE2 4.28Å; L294-F298 HydrophobicContact CD2-CG 4.32Å; L294-F298 HydrophobicContact CD2-CZ 4.39Å; P295-F298 HydrophobicContact CG-CB 4.1Å; P295-F298 WeakPolarHBondContact O-CB 3.4Å; P295-F298 PolarHBondContact O-N 3.27Å; F298-D303 HydrophobicContact CD2-CB 3.57Å; F298-D303 HydrophobicContact CE2-CB 3.39Å; F298-D303 HydrophobicContact CZ-CB 4.2Å; F298-L304 HydrophobicContact CZ-CB 4.25Å; F298-L304 HydrophobicContact CZ-CD1 4.11Å; F298-L307 HydrophobicContact CE2-CB 4.32Å; F298-L307 HydrophobicContact CE2-CD2 3.67Å; F298-L307 HydrophobicContact CZ-CD2 3.83Å | ||
| 299 | N | 91 | Very high | 89.1 | Confident | 68 Ų | 68 | 74 Ų | 74 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | trans | -109.7 | 111.2 | 174.5 | -179 | -3.6 | 0 | 0 | 0 | 109.7 | G297 K301 D302 D303 | G297-N299 PolarHBondContact O-N 3.48Å; N299-K301 PolarHBondContact O-N 2.78Å; N299-K301 VanDerWaalsContact OD1-CB 3.25Å; N299-K301 WeakPolarHBondContact OD1-CB 3.32Å; N299-K301 PolarHBondContact OD1-N 2.82Å; N299-D302 PolarHBondContact ND2-OD2 3.27Å; N299-D302 PolarHBondContact O-N 2.9Å; N299-D302 VanDerWaalsContact O-N 3.09Å; N299-D303 PolarHBondContact N-OD2 2.78Å; N299-D303 WeakPolarHBondContact O-CB 3.48Å; N299-D303 PolarHBondContact O-N 2.62Å | ||
| 300 | S | 89.5 | Confident | 89.1 | Confident | 28 Ų | 28 | 76.2 Ų | 76.2 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.8 | -179.2 | 66.8 | 0 | 0 | 0 | 0 | 114.1 | R278 L304 | R278-S300 WeakPolarHBondContact CD-O 3.32Å; R278-S300 PolarHBondContact NE-O 2.76Å; S300-L304 VanDerWaalsContact O-CB 3.23Å; S300-L304 WeakPolarHBondContact O-CB 3.3Å |
| 301 | K | 89.6 | Confident | 89.4 | Confident | 123 Ų | 123 | 71.4 Ų | 71.4 | 54% | 0.535 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -43.5 | 176.1 | -171.6 | 177.5 | 179.3 | 174.6 | 0 | 112.6 | N299 | N299-K301 PolarHBondContact O-N 2.78Å; N299-K301 VanDerWaalsContact OD1-CB 3.25Å; N299-K301 WeakPolarHBondContact OD1-CB 3.32Å; N299-K301 PolarHBondContact OD1-N 2.82Å |
| 302 | D | 89.4 | Confident | 89.6 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 53% | 0.529 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -32 | -168.3 | -55.8 | -40 | 0 | 0 | 0 | 111.8 | N299 P306 | N299-D302 PolarHBondContact ND2-OD2 3.27Å; N299-D302 PolarHBondContact O-N 2.9Å; N299-D302 VanDerWaalsContact O-N 3.09Å; D302-P306 WeakPolarHBondContact O-CD 3.47Å; D302-P306 WeakPolarHBondContact O-CG 3.24Å |
| 303 | D | 92.2 | Very high | 89.7 | Confident | 61 Ų | 61 | 65 Ų | 65 | 33% | 0.326 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -17.8 | -169.6 | -58.9 | -35.6 | 0 | 0 | 0 | 113.9 | F298 N299 P306 L307 | F298-D303 HydrophobicContact CD2-CB 3.57Å; F298-D303 HydrophobicContact CE2-CB 3.39Å; F298-D303 HydrophobicContact CZ-CB 4.2Å; N299-D303 PolarHBondContact N-OD2 2.78Å; N299-D303 WeakPolarHBondContact O-CB 3.48Å; N299-D303 PolarHBondContact O-N 2.62Å; D303-P306 WeakPolarHBondContact O-CD 3.36Å; D303-L307 WeakPolarHBondContact O-CB 3.27Å; D303-L307 PolarHBondContact O-N 2.95Å |
| 304 | L | 92.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.7 | -42.8 | -171.9 | -175.1 | 61.8 | 0 | 0 | 0 | 113.1 | L205 R278 V281 L282 L285 F298 S300 L307 I308 | L205-L304 HydrophobicContact CD1-CD2 3.67Å; L205-L304 HydrophobicContact CD1-CG 3.91Å; L205-L304 HydrophobicContact CD2-CD2 3.91Å; L205-L304 HydrophobicContact CG-CD2 4.45Å; R278-L304 HydrophobicContact CB-CD2 3.91Å; R278-L304 HydrophobicContact CG-CD2 3.98Å; V281-L304 HydrophobicContact CB-CD2 4.33Å; V281-L304 HydrophobicContact CG1-CD1 4.43Å; V281-L304 HydrophobicContact CG1-CD2 4.22Å; L282-L304 HydrophobicContact CB-CD1 4.46Å; L282-L304 HydrophobicContact CD1-CD1 3.98Å; L285-L304 HydrophobicContact CD1-CD1 3.75Å; F298-L304 HydrophobicContact CZ-CB 4.25Å; F298-L304 HydrophobicContact CZ-CD1 4.11Å; S300-L304 VanDerWaalsContact O-CB 3.23Å; S300-L304 WeakPolarHBondContact O-CB 3.3Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 3.14Å; L304-I308 HydrophobicContact CG-CD1 4.23Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 3.48Å |
| 305 | V | 92.7 | Very high | 89.4 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 26% | 0.261 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.4 | -50.5 | 177 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L205 Q208 L307 I308 D309 | L205-V305 HydrophobicContact CD1-CG2 4.18Å; Q208-V305 HydrophobicContact CG-CG1 4.28Å; V305-L307 PolarHBondContact O-N 2.84Å; V305-I308 PolarHBondContact O-N 2.71Å; V305-I308 VanDerWaalsContact O-N 3.08Å; V305-D309 PolarHBondContact O-N 2.78Å |
| 306 | P | 92.5 | Very high | 88.8 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.2 | -35.6 | 172.7 | -28.3 | 34.3 | 0 | 0 | 0 | 114.2 | D302 D303 S310 | D302-P306 WeakPolarHBondContact O-CD 3.47Å; D302-P306 WeakPolarHBondContact O-CG 3.24Å; D303-P306 WeakPolarHBondContact O-CD 3.36Å; P306-S310 WeakPolarHBondContact O-CB 3.44Å; P306-S310 PolarHBondContact O-N 3.01Å; P306-S310 PolarHBondContact O-OG 2.78Å |
| 307 | L | 92.4 | Very high | 87.6 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 176.4 | 177.9 | 64.3 | 0 | 0 | 0 | 112 | L292 L294 F298 D303 L304 V305 D309 S310 A311 | L292-L307 HydrophobicContact CD1-CD1 3.89Å; L292-L307 HydrophobicContact CD2-CD2 4.26Å; L294-L307 HydrophobicContact CD2-CD2 3.73Å; F298-L307 HydrophobicContact CE2-CB 4.32Å; F298-L307 HydrophobicContact CE2-CD2 3.67Å; F298-L307 HydrophobicContact CZ-CD2 3.83Å; D303-L307 WeakPolarHBondContact O-CB 3.27Å; D303-L307 PolarHBondContact O-N 2.95Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 3.14Å; V305-L307 PolarHBondContact O-N 2.84Å; L307-D309 VanDerWaalsContact C-N 3.35Å; L307-S310 PolarHBondContact O-N 2.74Å; L307-A311 WeakPolarHBondContact O-CB 3.49Å; L307-A311 PolarHBondContact O-N 2.81Å |
| 308 | I | 92.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.5 | -66.3 | 163 | 0 | 0 | 0 | 110.5 | L205 Q208 L212 V281 L285 L304 V305 S310 A311 C312 | L205-I308 HydrophobicContact CD1-CD1 3.61Å; Q208-I308 HydrophobicContact CB-CB 4.47Å; Q208-I308 HydrophobicContact CB-CG2 3.82Å; Q208-I308 WeakPolarHBondContact O-CG2 3.42Å; L212-I308 HydrophobicContact CB-CG2 4.06Å; L212-I308 HydrophobicContact CD2-CG2 4.29Å; V281-I308 HydrophobicContact CG1-CD1 3.87Å; L285-I308 HydrophobicContact CD1-CD1 4.24Å; L285-I308 HydrophobicContact CD1-CG1 3.66Å; L285-I308 HydrophobicContact CD2-CG1 4.25Å; L304-I308 HydrophobicContact CG-CD1 4.23Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 3.48Å; V305-I308 PolarHBondContact O-N 2.71Å; V305-I308 VanDerWaalsContact O-N 3.08Å; I308-S310 VanDerWaalsContact C-N 3.35Å; I308-S310 PolarHBondContact O-N 2.91Å; I308-A311 PolarHBondContact O-N 2.93Å; I308-C312 PolarHBondContact O-N 3.32Å; I308-C312 PolarHBondContact O-SG 2.83Å |
| 309 | D | 91 | Very high | 85.3 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 28% | 0.278 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 176.4 | -82.9 | -41.3 | 0 | 0 | 0 | 111.9 | Q208 R211 V305 L307 A311 C312 V313 | Q208-D309 PolarHBondContact OE1-OD1 2.84Å; R211-D309 IonicContact NH1-OD1 2.69Å; R211-D309 PolarHBondContact NH1-OD1 3.4Å; V305-D309 PolarHBondContact O-N 2.78Å; L307-D309 VanDerWaalsContact C-N 3.35Å; D309-A311 VanDerWaalsContact C-N 3.33Å; D309-A311 PolarHBondContact O-N 2.75Å; D309-C312 WeakPolarHBondContact O-CB 3.1Å; D309-C312 PolarHBondContact O-N 3.08Å; D309-V313 WeakPolarHBondContact O-CG2 3.09Å; D309-V313 PolarHBondContact O-N 2.78Å |
| 310 | S | 89.5 | Confident | 85 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 53% | 0.531 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | P306 L307 I308 V313 Y314 | P306-S310 WeakPolarHBondContact O-CB 3.44Å; P306-S310 PolarHBondContact O-N 3.01Å; P306-S310 PolarHBondContact O-OG 2.78Å; L307-S310 PolarHBondContact O-N 2.74Å; I308-S310 VanDerWaalsContact C-N 3.35Å; I308-S310 PolarHBondContact O-N 2.91Å; S310-V313 PolarHBondContact O-N 3.41Å; S310-Y314 WeakPolarHBondContact O-CB 3.32Å; S310-Y314 PolarHBondContact O-N 2.62Å |
| 311 | A | 89.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 10% | 0.099 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L212 L289 L307 I308 D309 N315 | L212-A311 HydrophobicContact CD1-CB 4.03Å; L212-A311 HydrophobicContact CD2-CB 4.35Å; L289-A311 HydrophobicContact CD1-CB 3.92Å; L307-A311 WeakPolarHBondContact O-CB 3.49Å; L307-A311 PolarHBondContact O-N 2.81Å; I308-A311 PolarHBondContact O-N 2.93Å; D309-A311 VanDerWaalsContact C-N 3.33Å; D309-A311 PolarHBondContact O-N 2.75Å; A311-N315 PolarHBondContact O-N 2.82Å; A311-N315 VanDerWaalsContact O-N 3.1Å; A311-N315 PolarHBondContact O-ND2 3.39Å |
| 312 | C | 88.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 173.6 | -68 | 0 | 0 | 0 | 0 | 111 | I215 I308 D309 N315 L316 | I215-C312 HydrophobicContact CD1-CB 3.57Å; I308-C312 PolarHBondContact O-N 3.32Å; I308-C312 PolarHBondContact O-SG 2.83Å; D309-C312 WeakPolarHBondContact O-CB 3.1Å; D309-C312 PolarHBondContact O-N 3.08Å; C312-N315 PolarHBondContact O-N 2.66Å; C312-L316 WeakPolarHBondContact O-CB 3.25Å; C312-L316 WeakPolarHBondContact O-CD1 3.21Å; C312-L316 WeakPolarHBondContact O-CG 3.21Å; C312-L316 PolarHBondContact O-N 3.21Å; C312-L316 VanDerWaalsContact O-N 3.09Å |
| 313 | V | 88.5 | Confident | 84.2 | Confident | 93 Ų | 93 | 66.8 Ų | 66.8 | 56% | 0.564 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 179.9 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | D309 S310 N315 L316 | D309-V313 WeakPolarHBondContact O-CG2 3.09Å; D309-V313 PolarHBondContact O-N 2.78Å; S310-V313 PolarHBondContact O-N 3.41Å; V313-N315 PolarHBondContact O-N 2.95Å; V313-L316 PolarHBondContact O-N 2.97Å |
| 314 | Y | 86.3 | Confident | 83.7 | Confident | 187 Ų | 187 | 67.2 Ų | 67.2 | 73% | 0.733 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 179.5 | -175.2 | -98.2 | 0 | 0 | 0 | 112.6 | S310 L316 G317 | S310-Y314 WeakPolarHBondContact O-CB 3.32Å; S310-Y314 PolarHBondContact O-N 2.62Å; Y314-L316 VanDerWaalsContact C-N 3.32Å; Y314-L316 PolarHBondContact O-N 3.09Å; Y314-G317 PolarHBondContact O-N 3.31Å |
| 315 | N | 81.6 | Confident | 83.1 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 36% | 0.358 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.5 | -14.4 | -179.4 | -72.6 | -77.2 | 0 | 0 | 0 | 113.7 | I215 L216 A311 C312 V313 G317 | I215-N315 HydrophobicContact CG2-CB 3.61Å; L216-N315 HydrophobicContact CD2-CB 4.44Å; A311-N315 PolarHBondContact O-N 2.82Å; A311-N315 VanDerWaalsContact O-N 3.1Å; A311-N315 PolarHBondContact O-ND2 3.39Å; C312-N315 PolarHBondContact O-N 2.66Å; V313-N315 PolarHBondContact O-N 2.95Å; N315-G317 VanDerWaalsContact C-N 3.26Å; N315-G317 PolarHBondContact O-N 2.85Å |
| 316 | L | 76.1 | Confident | 82.3 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 58% | 0.581 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -1.3 | 174.7 | -76.2 | 169 | 0 | 0 | 0 | 113.7 | I215 C312 V313 Y314 | I215-L316 HydrophobicContact CD1-CD1 3.82Å; I215-L316 HydrophobicContact CD1-CD2 4.26Å; I215-L316 HydrophobicContact CD1-CG 3.92Å; I215-L316 HydrophobicContact CG1-CD2 4.1Å; I215-L316 HydrophobicContact CG1-CG 4.27Å; I215-L316 HydrophobicContact CG2-CD2 4.22Å; I215-L316 HydrophobicContact CG2-CG 4.18Å; C312-L316 WeakPolarHBondContact O-CB 3.25Å; C312-L316 WeakPolarHBondContact O-CD1 3.21Å; C312-L316 WeakPolarHBondContact O-CG 3.21Å; C312-L316 PolarHBondContact O-N 3.21Å; C312-L316 VanDerWaalsContact O-N 3.09Å; V313-L316 PolarHBondContact O-N 2.97Å; Y314-L316 VanDerWaalsContact C-N 3.32Å; Y314-L316 PolarHBondContact O-N 3.09Å |
| 317 | G | 57.4 | Low | 81.5 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 61% | 0.608 | 43% | 0.431 | S | S | * | . | trans | 74.7 | 71.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y314 N315 | Y314-G317 PolarHBondContact O-N 3.31Å; N315-G317 VanDerWaalsContact C-N 3.26Å; N315-G317 PolarHBondContact O-N 2.85Å | ||
| 318 | V | 44.4 | Very low | 80.5 | Confident | 202 Ų | 202 | 78.2 Ų | 78.2 | 100% | 1.224 | 45% | 0.453 | S | S | * | . | trans | -77.9 | 0 | 131 | -176.9 | 0 | 0 | 0 | 0 | 107.5 |
Retrieved 318 of 318 residues in 99.9 ms
(Link to these results)